USER MOD reduce.3.24.130724 H: found=0, std=0, add=1706, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 CYS SG : rot 136:sc= 0.783 USER MOD Set 1.2: B 69 THR OG1 : rot 45:sc= 1.19 USER MOD Set 1.3: B 70 GLN : amide:sc= -0.0936 X(o=1.9,f=2) USER MOD Set 2.1: B 25 GLN : amide:sc= -6.36! C(o=-6.5!,f=-7.9!) USER MOD Set 2.2: B 26 SER OG : rot 130:sc= -0.12 USER MOD Set 3.1: B 10 LYS NZ :NH3+ 156:sc= -3.51! (180deg=-5.76!) USER MOD Set 3.2: B 14 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 5 THR OG1 : rot 94:sc= 1.69 USER MOD Set 4.2: B 7 TYR OH : rot 102:sc= 0.969 USER MOD Set 5.1: B 2 SER OG : rot 39:sc= -5.31 USER MOD Set 5.2: B 31 ASN :FLIP amide:sc= -5.37! F(o=-14,f=-11!) USER MOD Set 6.1: A 33 ASN :FLIP amide:sc=-0.00593 F(o=-0.91,f=-0.0094) USER MOD Set 6.2: A 78 LYS NZ :NH3+ 133:sc= -0.0035 (180deg=-0.25) USER MOD Set 7.1: A 25 GLN : amide:sc= -7.92! C(o=-7.8!,f=-13!) USER MOD Set 7.2: A 26 SER OG : rot 64:sc= 0.14! USER MOD Set 8.1: A 9 ASN :FLIP amide:sc= -9.33! C(o=-12!,f=-11!) USER MOD Set 8.2: A 14 SER OG : rot 120:sc= -1.44! USER MOD Set 9.1: A 5 THR OG1 : rot 135:sc= 2.06 USER MOD Set 9.2: A 7 TYR OH : rot -46:sc= 2.21 USER MOD Single : A 2 SER OG : rot 14:sc= -0.219 USER MOD Single : A 3 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= -4.27! (180deg=-4.71!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= -0.295 (180deg=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 47:sc= -3.82! USER MOD Single : A 31 ASN : amide:sc= -1.85! X(o=-1.8!,f=-1.6) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 41 THR OG1 : rot 131:sc= -4.2! USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= -1.88 (180deg=-3.53!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.78 USER MOD Single : A 53 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-0.92) USER MOD Single : A 55 CYS SG : rot 151:sc= -4.98! USER MOD Single : A 57 THR OG1 : rot 26:sc= -1.61! USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.155 F(o=-1.2,f=-0.16) USER MOD Single : A 67 MET CE :methyl 162:sc= -7.74! (180deg=-8.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.829 F(o=-1.5,f=-0.83) USER MOD Single : A 71 GLN : amide:sc= -1.83! C(o=-1.8!,f=-3.1!) USER MOD Single : A 72 MET CE :methyl 163:sc= -10.9! (180deg=-11.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -120:sc= -2.81 USER MOD Single : A 81 SER OG : rot -100:sc= -2.09! USER MOD Single : A 85 ASN : amide:sc= 1.25 K(o=1.2,f=-0.56) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot -70:sc= 0.148! USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 155:sc= -0.395 (180deg=-1.31!) USER MOD Single : B 3 GLN : amide:sc= 0.966 K(o=0.97,f=-0.46) USER MOD Single : B 8 LYS NZ :NH3+ -138:sc= -0.289 (180deg=-2.32!) USER MOD Single : B 9 ASN : amide:sc= -20! C(o=-20!,f=-20!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 TYR OH : rot 14:sc= -4.76! USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 THR OG1 : rot 140:sc= -3.57! USER MOD Single : B 48 LYS NZ :NH3+ -133:sc= -0.541 (180deg=-1.68!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : B 57 THR OG1 : rot -66:sc= -11.7! USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 67 MET CE :methyl -152:sc= -12.1! (180deg=-16.4!) USER MOD Single : B 71 GLN :FLIP amide:sc= 0.463 F(o=-0.66,f=0.46) USER MOD Single : B 72 MET CE :methyl 141:sc= -8.34! (180deg=-14.1!) USER MOD Single : B 73 THR OG1 : rot 180:sc= -3.86! USER MOD Single : B 74 SER OG : rot -5:sc= -0.539! USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 81 SER OG : rot -140:sc= -3.52! USER MOD Single : B 85 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.34) USER MOD Single : B 88 SER OG : rot -27:sc= 0.242 USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : B 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 4.311 8.475 14.903 1.00 0.00 N ATOM 21 CA SER A 2 3.681 7.554 13.965 1.00 0.00 C ATOM 22 C SER A 2 2.360 8.130 13.442 1.00 0.00 C ATOM 23 O SER A 2 1.296 7.788 13.949 1.00 0.00 O ATOM 24 CB SER A 2 3.450 6.185 14.639 1.00 0.00 C ATOM 25 OG SER A 2 2.227 6.164 15.356 1.00 0.00 O ATOM 0 HA SER A 2 4.348 7.415 13.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.444 5.401 13.882 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.275 5.967 15.317 1.00 0.00 H new ATOM 0 HG SER A 2 1.681 6.934 15.094 1.00 0.00 H new ATOM 31 N GLN A 3 2.453 9.002 12.418 1.00 0.00 N ATOM 32 CA GLN A 3 1.278 9.644 11.781 1.00 0.00 C ATOM 33 C GLN A 3 1.469 11.152 11.580 1.00 0.00 C ATOM 34 O GLN A 3 1.897 11.868 12.486 1.00 0.00 O ATOM 35 CB GLN A 3 -0.012 9.431 12.585 1.00 0.00 C ATOM 36 CG GLN A 3 -0.003 10.104 13.950 1.00 0.00 C ATOM 37 CD GLN A 3 -0.785 11.403 13.964 1.00 0.00 C ATOM 38 OE1 GLN A 3 -0.219 12.479 14.152 1.00 0.00 O ATOM 39 NE2 GLN A 3 -2.095 11.307 13.765 1.00 0.00 N ATOM 0 H GLN A 3 3.343 9.283 12.007 1.00 0.00 H new ATOM 0 HA GLN A 3 1.188 9.158 10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.855 9.811 12.008 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.173 8.361 12.719 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.424 9.423 14.690 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.027 10.301 14.247 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.522 10.393 13.613 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.674 12.147 13.764 1.00 0.00 H new ATOM 48 N PHE A 4 1.080 11.622 10.395 1.00 0.00 N ATOM 49 CA PHE A 4 1.122 13.046 10.042 1.00 0.00 C ATOM 50 C PHE A 4 2.529 13.650 9.980 1.00 0.00 C ATOM 51 O PHE A 4 2.724 14.809 10.347 1.00 0.00 O ATOM 52 CB PHE A 4 0.253 13.844 11.016 1.00 0.00 C ATOM 53 CG PHE A 4 -1.214 13.810 10.676 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.745 12.770 9.925 1.00 0.00 C ATOM 55 CD2 PHE A 4 -2.061 14.818 11.106 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.091 12.738 9.611 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.408 14.791 10.795 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.923 13.750 10.047 1.00 0.00 C ATOM 0 H PHE A 4 0.725 11.025 9.648 1.00 0.00 H new ATOM 0 HA PHE A 4 0.732 13.112 9.026 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.394 13.451 12.023 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.592 14.880 11.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.098 11.976 9.582 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.665 15.635 11.691 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.491 11.923 9.026 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.057 15.583 11.137 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.975 13.728 9.804 1.00 0.00 H new ATOM 68 N THR A 5 3.493 12.894 9.473 1.00 0.00 N ATOM 69 CA THR A 5 4.853 13.392 9.320 1.00 0.00 C ATOM 70 C THR A 5 5.249 13.334 7.850 1.00 0.00 C ATOM 71 O THR A 5 4.689 12.552 7.085 1.00 0.00 O ATOM 72 CB THR A 5 5.839 12.552 10.135 1.00 0.00 C ATOM 73 OG1 THR A 5 5.212 12.009 11.283 1.00 0.00 O ATOM 74 CG2 THR A 5 7.066 13.320 10.596 1.00 0.00 C ATOM 0 H THR A 5 3.358 11.932 9.160 1.00 0.00 H new ATOM 0 HA THR A 5 4.886 14.420 9.682 1.00 0.00 H new ATOM 0 HB THR A 5 6.166 11.766 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.458 11.065 11.374 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.717 12.658 11.167 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.605 13.699 9.728 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.757 14.155 11.224 1.00 0.00 H new ATOM 82 N LEU A 6 6.234 14.128 7.463 1.00 0.00 N ATOM 83 CA LEU A 6 6.716 14.105 6.091 1.00 0.00 C ATOM 84 C LEU A 6 7.835 13.087 6.017 1.00 0.00 C ATOM 85 O LEU A 6 9.011 13.440 6.099 1.00 0.00 O ATOM 86 CB LEU A 6 7.229 15.481 5.664 1.00 0.00 C ATOM 87 CG LEU A 6 7.922 15.518 4.299 1.00 0.00 C ATOM 88 CD1 LEU A 6 6.913 15.779 3.194 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.016 16.573 4.285 1.00 0.00 C ATOM 0 H LEU A 6 6.712 14.791 8.073 1.00 0.00 H new ATOM 0 HA LEU A 6 5.902 13.838 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.390 16.176 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.927 15.842 6.419 1.00 0.00 H new ATOM 0 HG LEU A 6 8.381 14.546 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.425 15.802 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.166 14.986 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.423 16.737 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.497 16.585 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.580 17.552 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.756 16.340 5.051 1.00 0.00 H new ATOM 101 N TYR A 7 7.468 11.816 5.929 1.00 0.00 N ATOM 102 CA TYR A 7 8.467 10.765 5.927 1.00 0.00 C ATOM 103 C TYR A 7 9.135 10.563 4.586 1.00 0.00 C ATOM 104 O TYR A 7 8.556 10.001 3.662 1.00 0.00 O ATOM 105 CB TYR A 7 7.864 9.437 6.402 1.00 0.00 C ATOM 106 CG TYR A 7 6.939 9.538 7.596 1.00 0.00 C ATOM 107 CD1 TYR A 7 5.681 10.130 7.496 1.00 0.00 C ATOM 108 CD2 TYR A 7 7.311 8.998 8.821 1.00 0.00 C ATOM 109 CE1 TYR A 7 4.832 10.177 8.583 1.00 0.00 C ATOM 110 CE2 TYR A 7 6.467 9.050 9.912 1.00 0.00 C ATOM 111 CZ TYR A 7 5.229 9.639 9.788 1.00 0.00 C ATOM 112 OH TYR A 7 4.384 9.692 10.870 1.00 0.00 O ATOM 0 H TYR A 7 6.502 11.495 5.859 1.00 0.00 H new ATOM 0 HA TYR A 7 9.239 11.096 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.314 8.990 5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.678 8.755 6.650 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.367 10.558 6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.279 8.529 8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.858 10.635 8.489 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.776 8.631 10.858 1.00 0.00 H new ATOM 0 HH TYR A 7 4.007 10.593 10.947 1.00 0.00 H new ATOM 122 N LYS A 8 10.393 10.978 4.523 1.00 0.00 N ATOM 123 CA LYS A 8 11.193 10.804 3.333 1.00 0.00 C ATOM 124 C LYS A 8 11.700 9.377 3.280 1.00 0.00 C ATOM 125 O LYS A 8 11.858 8.741 4.314 1.00 0.00 O ATOM 126 CB LYS A 8 12.329 11.835 3.296 1.00 0.00 C ATOM 127 CG LYS A 8 13.635 11.312 2.736 1.00 0.00 C ATOM 128 CD LYS A 8 14.339 10.494 3.784 1.00 0.00 C ATOM 129 CE LYS A 8 15.007 11.376 4.827 1.00 0.00 C ATOM 130 NZ LYS A 8 16.482 11.430 4.655 1.00 0.00 N ATOM 0 H LYS A 8 10.878 11.440 5.292 1.00 0.00 H new ATOM 0 HA LYS A 8 10.587 10.978 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.008 12.689 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.503 12.201 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.446 10.704 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.267 12.143 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.623 9.832 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.088 9.860 3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.598 12.384 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.773 11.000 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.873 12.190 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.898 10.520 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.709 11.617 3.657 1.00 0.00 H new ATOM 144 N ASN A 9 11.955 8.870 2.082 1.00 0.00 N ATOM 145 CA ASN A 9 12.453 7.516 1.942 1.00 0.00 C ATOM 146 C ASN A 9 13.726 7.388 2.756 1.00 0.00 C ATOM 147 O ASN A 9 14.823 7.483 2.212 1.00 0.00 O ATOM 148 CB ASN A 9 12.734 7.197 0.474 1.00 0.00 C ATOM 149 CG ASN A 9 11.499 6.765 -0.290 1.00 0.00 C ATOM 150 OD1 ASN A 9 10.477 7.613 -0.296 1.00 0.00 O flip ATOM 151 ND2 ASN A 9 11.463 5.680 -0.871 1.00 0.00 N flip ATOM 0 H ASN A 9 11.826 9.372 1.204 1.00 0.00 H new ATOM 0 HA ASN A 9 11.705 6.810 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.162 8.077 -0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.483 6.407 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.271 5.058 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.625 5.403 -1.382 1.00 0.00 H new ATOM 158 N LYS A 10 13.558 7.199 4.067 1.00 0.00 N ATOM 159 CA LYS A 10 14.652 7.087 4.995 1.00 0.00 C ATOM 160 C LYS A 10 15.895 7.828 4.539 1.00 0.00 C ATOM 161 O LYS A 10 16.185 8.927 5.004 1.00 0.00 O ATOM 162 CB LYS A 10 14.962 5.631 5.253 1.00 0.00 C ATOM 163 CG LYS A 10 15.644 5.457 6.564 1.00 0.00 C ATOM 164 CD LYS A 10 16.976 6.178 6.549 1.00 0.00 C ATOM 165 CE LYS A 10 17.965 5.566 7.527 1.00 0.00 C ATOM 166 NZ LYS A 10 18.785 4.497 6.893 1.00 0.00 N ATOM 0 H LYS A 10 12.640 7.120 4.505 1.00 0.00 H new ATOM 0 HA LYS A 10 14.336 7.563 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.039 5.051 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.595 5.243 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.017 5.849 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.796 4.397 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.394 6.146 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.823 7.228 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.621 6.345 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.425 5.152 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.447 4.106 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.161 3.741 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.321 4.897 6.096 1.00 0.00 H new ATOM 180 N ASP A 11 16.629 7.211 3.645 1.00 0.00 N ATOM 181 CA ASP A 11 17.846 7.790 3.137 1.00 0.00 C ATOM 182 C ASP A 11 17.543 8.935 2.169 1.00 0.00 C ATOM 183 O ASP A 11 16.891 8.734 1.147 1.00 0.00 O ATOM 184 CB ASP A 11 18.648 6.689 2.447 1.00 0.00 C ATOM 185 CG ASP A 11 19.984 6.436 3.118 1.00 0.00 C ATOM 186 OD1 ASP A 11 20.804 7.376 3.180 1.00 0.00 O ATOM 187 OD2 ASP A 11 20.210 5.299 3.582 1.00 0.00 O ATOM 0 H ASP A 11 16.400 6.298 3.252 1.00 0.00 H new ATOM 0 HA ASP A 11 18.427 8.210 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.066 5.767 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.814 6.964 1.405 1.00 0.00 H new ATOM 192 N LYS A 12 18.017 10.139 2.493 1.00 0.00 N ATOM 193 CA LYS A 12 17.784 11.302 1.636 1.00 0.00 C ATOM 194 C LYS A 12 18.235 11.007 0.207 1.00 0.00 C ATOM 195 O LYS A 12 17.717 11.586 -0.748 1.00 0.00 O ATOM 196 CB LYS A 12 18.499 12.543 2.197 1.00 0.00 C ATOM 197 CG LYS A 12 17.554 13.679 2.600 1.00 0.00 C ATOM 198 CD LYS A 12 16.538 13.976 1.508 1.00 0.00 C ATOM 199 CE LYS A 12 16.275 15.468 1.383 1.00 0.00 C ATOM 200 NZ LYS A 12 17.525 16.231 1.113 1.00 0.00 N ATOM 0 H LYS A 12 18.560 10.333 3.335 1.00 0.00 H new ATOM 0 HA LYS A 12 16.715 11.513 1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.087 12.248 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.199 12.915 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.033 13.411 3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.134 14.577 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.901 13.589 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.604 13.458 1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.561 15.645 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.817 15.834 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.308 17.052 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.933 16.558 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.208 15.617 0.626 1.00 0.00 H new ATOM 214 N SER A 13 19.177 10.075 0.064 1.00 0.00 N ATOM 215 CA SER A 13 19.659 9.678 -1.254 1.00 0.00 C ATOM 216 C SER A 13 18.526 9.005 -2.023 1.00 0.00 C ATOM 217 O SER A 13 18.447 9.090 -3.249 1.00 0.00 O ATOM 218 CB SER A 13 20.850 8.726 -1.127 1.00 0.00 C ATOM 219 OG SER A 13 20.621 7.753 -0.122 1.00 0.00 O ATOM 0 H SER A 13 19.618 9.584 0.842 1.00 0.00 H new ATOM 0 HA SER A 13 19.989 10.565 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 13 21.028 8.232 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 13 21.750 9.294 -0.889 1.00 0.00 H new ATOM 0 HG SER A 13 21.396 7.156 -0.062 1.00 0.00 H new ATOM 225 N SER A 14 17.634 8.360 -1.273 1.00 0.00 N ATOM 226 CA SER A 14 16.470 7.686 -1.838 1.00 0.00 C ATOM 227 C SER A 14 15.669 8.644 -2.685 1.00 0.00 C ATOM 228 O SER A 14 15.074 8.261 -3.689 1.00 0.00 O ATOM 229 CB SER A 14 15.572 7.178 -0.707 1.00 0.00 C ATOM 230 OG SER A 14 14.903 5.988 -1.087 1.00 0.00 O ATOM 0 H SER A 14 17.699 8.291 -0.257 1.00 0.00 H new ATOM 0 HA SER A 14 16.817 6.855 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 14 16.172 6.994 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.841 7.943 -0.446 1.00 0.00 H new ATOM 0 HG SER A 14 15.151 5.264 -0.475 1.00 0.00 H new ATOM 236 N ALA A 15 15.633 9.886 -2.247 1.00 0.00 N ATOM 237 CA ALA A 15 14.873 10.904 -2.933 1.00 0.00 C ATOM 238 C ALA A 15 15.231 11.007 -4.406 1.00 0.00 C ATOM 239 O ALA A 15 14.428 11.501 -5.199 1.00 0.00 O ATOM 240 CB ALA A 15 15.045 12.245 -2.236 1.00 0.00 C ATOM 0 H ALA A 15 16.124 10.213 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 15 13.824 10.611 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.467 13.005 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.692 12.168 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.099 12.524 -2.238 1.00 0.00 H new ATOM 246 N LYS A 16 16.414 10.530 -4.794 1.00 0.00 N ATOM 247 CA LYS A 16 16.795 10.579 -6.200 1.00 0.00 C ATOM 248 C LYS A 16 15.650 10.002 -7.019 1.00 0.00 C ATOM 249 O LYS A 16 15.193 10.599 -7.994 1.00 0.00 O ATOM 250 CB LYS A 16 18.079 9.783 -6.444 1.00 0.00 C ATOM 251 CG LYS A 16 19.339 10.513 -6.008 1.00 0.00 C ATOM 252 CD LYS A 16 19.616 11.720 -6.888 1.00 0.00 C ATOM 253 CE LYS A 16 19.126 13.006 -6.242 1.00 0.00 C ATOM 254 NZ LYS A 16 20.013 14.160 -6.557 1.00 0.00 N ATOM 0 H LYS A 16 17.107 10.116 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 16 16.988 11.610 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.016 8.835 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.154 9.547 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.235 10.833 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.188 9.831 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.686 11.793 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.127 11.587 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.114 13.222 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.074 12.872 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.644 15.017 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.973 13.966 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.043 14.304 -7.587 1.00 0.00 H new ATOM 268 N THR A 17 15.150 8.862 -6.556 1.00 0.00 N ATOM 269 CA THR A 17 14.006 8.214 -7.171 1.00 0.00 C ATOM 270 C THR A 17 12.773 8.410 -6.296 1.00 0.00 C ATOM 271 O THR A 17 11.701 8.772 -6.780 1.00 0.00 O ATOM 272 CB THR A 17 14.256 6.722 -7.386 1.00 0.00 C ATOM 273 OG1 THR A 17 15.358 6.516 -8.253 1.00 0.00 O ATOM 274 CG2 THR A 17 13.059 6.008 -7.981 1.00 0.00 C ATOM 0 H THR A 17 15.526 8.366 -5.748 1.00 0.00 H new ATOM 0 HA THR A 17 13.843 8.671 -8.147 1.00 0.00 H new ATOM 0 HB THR A 17 14.457 6.310 -6.397 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.502 5.555 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.294 4.952 -8.112 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.205 6.110 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.817 6.448 -8.948 1.00 0.00 H new ATOM 282 N TYR A 18 12.938 8.144 -4.996 1.00 0.00 N ATOM 283 CA TYR A 18 11.837 8.266 -4.041 1.00 0.00 C ATOM 284 C TYR A 18 12.234 9.092 -2.835 1.00 0.00 C ATOM 285 O TYR A 18 13.067 8.659 -2.043 1.00 0.00 O ATOM 286 CB TYR A 18 11.450 6.904 -3.520 1.00 0.00 C ATOM 287 CG TYR A 18 11.399 5.819 -4.570 1.00 0.00 C ATOM 288 CD1 TYR A 18 10.334 5.732 -5.459 1.00 0.00 C ATOM 289 CD2 TYR A 18 12.417 4.880 -4.669 1.00 0.00 C ATOM 290 CE1 TYR A 18 10.286 4.737 -6.417 1.00 0.00 C ATOM 291 CE2 TYR A 18 12.376 3.882 -5.624 1.00 0.00 C ATOM 292 CZ TYR A 18 11.308 3.815 -6.495 1.00 0.00 C ATOM 293 OH TYR A 18 11.264 2.822 -7.447 1.00 0.00 O ATOM 0 H TYR A 18 13.822 7.844 -4.584 1.00 0.00 H new ATOM 0 HA TYR A 18 11.014 8.745 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.160 6.610 -2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 18 10.472 6.976 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.532 6.453 -5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 18 13.254 4.930 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 18 9.452 4.682 -7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.175 3.159 -5.688 1.00 0.00 H new ATOM 0 HH TYR A 18 12.061 2.257 -7.367 1.00 0.00 H new ATOM 303 N PRO A 19 11.672 10.288 -2.663 1.00 0.00 N ATOM 304 CA PRO A 19 12.014 11.132 -1.542 1.00 0.00 C ATOM 305 C PRO A 19 11.184 10.884 -0.289 1.00 0.00 C ATOM 306 O PRO A 19 11.718 10.994 0.803 1.00 0.00 O ATOM 307 CB PRO A 19 11.782 12.544 -2.061 1.00 0.00 C ATOM 308 CG PRO A 19 11.043 12.396 -3.357 1.00 0.00 C ATOM 309 CD PRO A 19 10.705 10.938 -3.535 1.00 0.00 C ATOM 0 HA PRO A 19 13.036 10.934 -1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.203 13.131 -1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.728 13.065 -2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.135 13.000 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.654 12.750 -4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.679 10.719 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.813 10.619 -4.572 1.00 0.00 H new ATOM 317 N TYR A 20 9.886 10.578 -0.414 1.00 0.00 N ATOM 318 CA TYR A 20 9.073 10.360 0.796 1.00 0.00 C ATOM 319 C TYR A 20 7.778 9.613 0.582 1.00 0.00 C ATOM 320 O TYR A 20 7.393 9.232 -0.522 1.00 0.00 O ATOM 321 CB TYR A 20 8.689 11.672 1.499 1.00 0.00 C ATOM 322 CG TYR A 20 9.091 12.905 0.782 1.00 0.00 C ATOM 323 CD1 TYR A 20 8.864 13.031 -0.574 1.00 0.00 C ATOM 324 CD2 TYR A 20 9.686 13.938 1.472 1.00 0.00 C ATOM 325 CE1 TYR A 20 9.222 14.162 -1.253 1.00 0.00 C ATOM 326 CE2 TYR A 20 10.055 15.092 0.810 1.00 0.00 C ATOM 327 CZ TYR A 20 9.823 15.201 -0.554 1.00 0.00 C ATOM 328 OH TYR A 20 10.191 16.344 -1.208 1.00 0.00 O ATOM 0 H TYR A 20 9.390 10.478 -1.300 1.00 0.00 H new ATOM 0 HA TYR A 20 9.742 9.750 1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.608 11.688 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.142 11.682 2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.394 12.219 -1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.864 13.845 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.041 14.246 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.521 15.904 1.349 1.00 0.00 H new ATOM 0 HH TYR A 20 9.457 16.642 -1.785 1.00 0.00 H new ATOM 338 N PHE A 21 7.108 9.490 1.720 1.00 0.00 N ATOM 339 CA PHE A 21 5.810 8.894 1.867 1.00 0.00 C ATOM 340 C PHE A 21 5.188 9.501 3.108 1.00 0.00 C ATOM 341 O PHE A 21 5.874 10.168 3.883 1.00 0.00 O ATOM 342 CB PHE A 21 5.871 7.386 2.032 1.00 0.00 C ATOM 343 CG PHE A 21 7.231 6.771 1.878 1.00 0.00 C ATOM 344 CD1 PHE A 21 8.158 6.853 2.904 1.00 0.00 C ATOM 345 CD2 PHE A 21 7.570 6.085 0.725 1.00 0.00 C ATOM 346 CE1 PHE A 21 9.399 6.265 2.780 1.00 0.00 C ATOM 347 CE2 PHE A 21 8.809 5.490 0.598 1.00 0.00 C ATOM 348 CZ PHE A 21 9.725 5.581 1.627 1.00 0.00 C ATOM 0 H PHE A 21 7.486 9.825 2.606 1.00 0.00 H new ATOM 0 HA PHE A 21 5.228 9.088 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.486 7.131 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.202 6.931 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.906 7.383 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.858 6.014 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.115 6.340 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.062 4.954 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.696 5.117 1.529 1.00 0.00 H new ATOM 358 N VAL A 22 3.910 9.281 3.310 1.00 0.00 N ATOM 359 CA VAL A 22 3.252 9.828 4.476 1.00 0.00 C ATOM 360 C VAL A 22 2.535 8.751 5.267 1.00 0.00 C ATOM 361 O VAL A 22 1.571 8.154 4.797 1.00 0.00 O ATOM 362 CB VAL A 22 2.250 10.909 4.093 1.00 0.00 C ATOM 363 CG1 VAL A 22 1.558 11.440 5.340 1.00 0.00 C ATOM 364 CG2 VAL A 22 2.936 12.033 3.333 1.00 0.00 C ATOM 0 H VAL A 22 3.310 8.734 2.692 1.00 0.00 H new ATOM 0 HA VAL A 22 4.034 10.266 5.096 1.00 0.00 H new ATOM 0 HB VAL A 22 1.497 10.474 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.843 12.213 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.034 10.626 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.301 11.863 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.202 12.795 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.710 12.476 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.388 11.635 2.425 1.00 0.00 H new ATOM 374 N ASP A 23 3.015 8.514 6.474 1.00 0.00 N ATOM 375 CA ASP A 23 2.417 7.507 7.347 1.00 0.00 C ATOM 376 C ASP A 23 0.939 7.813 7.599 1.00 0.00 C ATOM 377 O ASP A 23 0.604 8.805 8.246 1.00 0.00 O ATOM 378 CB ASP A 23 3.178 7.434 8.671 1.00 0.00 C ATOM 379 CG ASP A 23 4.622 7.016 8.479 1.00 0.00 C ATOM 380 OD1 ASP A 23 5.227 7.420 7.464 1.00 0.00 O ATOM 381 OD2 ASP A 23 5.146 6.283 9.342 1.00 0.00 O ATOM 0 H ASP A 23 3.816 9.001 6.876 1.00 0.00 H new ATOM 0 HA ASP A 23 2.485 6.540 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.145 8.407 9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.682 6.726 9.335 1.00 0.00 H new ATOM 386 N VAL A 24 0.058 6.952 7.084 1.00 0.00 N ATOM 387 CA VAL A 24 -1.382 7.135 7.259 1.00 0.00 C ATOM 388 C VAL A 24 -2.139 5.820 7.107 1.00 0.00 C ATOM 389 O VAL A 24 -2.118 5.202 6.044 1.00 0.00 O ATOM 390 CB VAL A 24 -1.934 8.189 6.271 1.00 0.00 C ATOM 391 CG1 VAL A 24 -1.327 8.007 4.888 1.00 0.00 C ATOM 392 CG2 VAL A 24 -3.457 8.150 6.209 1.00 0.00 C ATOM 0 H VAL A 24 0.316 6.125 6.545 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.538 7.497 8.275 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.645 9.173 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.731 8.760 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.244 8.117 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.570 7.013 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.812 8.903 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.783 7.163 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.867 8.355 7.198 1.00 0.00 H new ATOM 402 N GLN A 25 -2.824 5.425 8.186 1.00 0.00 N ATOM 403 CA GLN A 25 -3.631 4.202 8.228 1.00 0.00 C ATOM 404 C GLN A 25 -3.675 3.619 9.645 1.00 0.00 C ATOM 405 O GLN A 25 -4.456 4.071 10.482 1.00 0.00 O ATOM 406 CB GLN A 25 -3.133 3.150 7.226 1.00 0.00 C ATOM 407 CG GLN A 25 -3.816 1.794 7.347 1.00 0.00 C ATOM 408 CD GLN A 25 -2.843 0.641 7.204 1.00 0.00 C ATOM 409 OE1 GLN A 25 -2.038 0.378 8.097 1.00 0.00 O ATOM 410 NE2 GLN A 25 -2.910 -0.054 6.074 1.00 0.00 N ATOM 0 H GLN A 25 -2.833 5.950 9.061 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.644 4.479 7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.282 3.529 6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.060 3.016 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.315 1.727 8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.589 1.710 6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.593 0.198 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.279 -0.840 5.921 1.00 0.00 H new ATOM 419 N SER A 26 -2.843 2.611 9.909 1.00 0.00 N ATOM 420 CA SER A 26 -2.810 1.973 11.228 1.00 0.00 C ATOM 421 C SER A 26 -2.411 2.942 12.322 1.00 0.00 C ATOM 422 O SER A 26 -1.304 3.479 12.313 1.00 0.00 O ATOM 423 CB SER A 26 -1.832 0.809 11.271 1.00 0.00 C ATOM 424 OG SER A 26 -2.288 -0.274 10.478 1.00 0.00 O ATOM 0 H SER A 26 -2.187 2.220 9.233 1.00 0.00 H new ATOM 0 HA SER A 26 -3.826 1.617 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.856 1.138 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.701 0.479 12.301 1.00 0.00 H new ATOM 0 HG SER A 26 -2.323 0.001 9.538 1.00 0.00 H new ATOM 430 N ASP A 27 -3.286 3.112 13.299 1.00 0.00 N ATOM 431 CA ASP A 27 -2.973 3.958 14.434 1.00 0.00 C ATOM 432 C ASP A 27 -2.100 3.150 15.380 1.00 0.00 C ATOM 433 O ASP A 27 -1.196 3.679 16.028 1.00 0.00 O ATOM 434 CB ASP A 27 -4.248 4.426 15.140 1.00 0.00 C ATOM 435 CG ASP A 27 -4.097 5.803 15.754 1.00 0.00 C ATOM 436 OD1 ASP A 27 -3.223 6.567 15.290 1.00 0.00 O ATOM 437 OD2 ASP A 27 -4.851 6.119 16.697 1.00 0.00 O ATOM 0 H ASP A 27 -4.209 2.679 13.328 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.448 4.853 14.101 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.072 4.438 14.426 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.512 3.711 15.919 1.00 0.00 H new ATOM 442 N LEU A 28 -2.365 1.843 15.414 1.00 0.00 N ATOM 443 CA LEU A 28 -1.597 0.922 16.231 1.00 0.00 C ATOM 444 C LEU A 28 -0.369 0.475 15.464 1.00 0.00 C ATOM 445 O LEU A 28 0.765 0.643 15.913 1.00 0.00 O ATOM 446 CB LEU A 28 -2.441 -0.290 16.631 1.00 0.00 C ATOM 447 CG LEU A 28 -3.633 0.016 17.540 1.00 0.00 C ATOM 448 CD1 LEU A 28 -4.535 1.059 16.902 1.00 0.00 C ATOM 449 CD2 LEU A 28 -4.413 -1.255 17.837 1.00 0.00 C ATOM 0 H LEU A 28 -3.113 1.403 14.878 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.291 1.433 17.144 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.810 -0.770 15.725 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.797 -1.011 17.134 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.257 0.418 18.481 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.378 1.264 17.562 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.970 1.977 16.738 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.905 0.685 15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.258 -1.021 18.485 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.779 -1.684 16.904 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.762 -1.973 18.335 1.00 0.00 H new ATOM 461 N LEU A 29 -0.616 -0.068 14.284 1.00 0.00 N ATOM 462 CA LEU A 29 0.440 -0.525 13.398 1.00 0.00 C ATOM 463 C LEU A 29 0.958 0.644 12.572 1.00 0.00 C ATOM 464 O LEU A 29 1.201 0.514 11.372 1.00 0.00 O ATOM 465 CB LEU A 29 -0.113 -1.597 12.468 1.00 0.00 C ATOM 466 CG LEU A 29 -0.734 -2.796 13.176 1.00 0.00 C ATOM 467 CD1 LEU A 29 -1.726 -3.501 12.264 1.00 0.00 C ATOM 468 CD2 LEU A 29 0.346 -3.760 13.645 1.00 0.00 C ATOM 0 H LEU A 29 -1.556 -0.204 13.913 1.00 0.00 H new ATOM 0 HA LEU A 29 1.257 -0.938 13.990 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.865 -1.145 11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.692 -1.950 11.823 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.273 -2.436 14.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.159 -4.354 12.787 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.519 -2.807 11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.213 -3.848 11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.117 -4.609 14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.916 -4.114 12.786 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.014 -3.249 14.338 1.00 0.00 H new ATOM 480 N ASP A 30 1.082 1.800 13.213 1.00 0.00 N ATOM 481 CA ASP A 30 1.516 3.003 12.524 1.00 0.00 C ATOM 482 C ASP A 30 3.024 3.012 12.255 1.00 0.00 C ATOM 483 O ASP A 30 3.451 2.995 11.105 1.00 0.00 O ATOM 484 CB ASP A 30 1.129 4.210 13.381 1.00 0.00 C ATOM 485 CG ASP A 30 1.029 5.494 12.591 1.00 0.00 C ATOM 486 OD1 ASP A 30 1.970 5.804 11.831 1.00 0.00 O ATOM 487 OD2 ASP A 30 0.007 6.195 12.742 1.00 0.00 O ATOM 0 H ASP A 30 0.888 1.927 14.206 1.00 0.00 H new ATOM 0 HA ASP A 30 1.026 3.041 11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.172 4.013 13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.866 4.336 14.174 1.00 0.00 H new ATOM 492 N ASN A 31 3.837 3.004 13.301 1.00 0.00 N ATOM 493 CA ASN A 31 5.289 2.984 13.116 1.00 0.00 C ATOM 494 C ASN A 31 5.925 1.814 13.831 1.00 0.00 C ATOM 495 O ASN A 31 7.149 1.686 13.858 1.00 0.00 O ATOM 496 CB ASN A 31 5.927 4.293 13.581 1.00 0.00 C ATOM 497 CG ASN A 31 6.071 5.302 12.458 1.00 0.00 C ATOM 498 OD1 ASN A 31 7.168 5.789 12.184 1.00 0.00 O ATOM 499 ND2 ASN A 31 4.962 5.622 11.803 1.00 0.00 N ATOM 0 H ASN A 31 3.528 3.011 14.273 1.00 0.00 H new ATOM 0 HA ASN A 31 5.471 2.871 12.047 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.321 4.725 14.378 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.909 4.084 14.005 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.998 6.296 11.039 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.074 5.194 12.064 1.00 0.00 H new ATOM 506 N LEU A 32 5.097 0.957 14.405 1.00 0.00 N ATOM 507 CA LEU A 32 5.603 -0.213 15.114 1.00 0.00 C ATOM 508 C LEU A 32 6.659 -0.877 14.274 1.00 0.00 C ATOM 509 O LEU A 32 7.814 -1.022 14.674 1.00 0.00 O ATOM 510 CB LEU A 32 4.507 -1.236 15.357 1.00 0.00 C ATOM 511 CG LEU A 32 3.149 -0.668 15.773 1.00 0.00 C ATOM 512 CD1 LEU A 32 2.196 -1.793 16.147 1.00 0.00 C ATOM 513 CD2 LEU A 32 3.310 0.303 16.935 1.00 0.00 C ATOM 0 H LEU A 32 4.081 1.045 14.396 1.00 0.00 H new ATOM 0 HA LEU A 32 5.999 0.126 16.071 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.372 -1.820 14.447 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.844 -1.925 16.131 1.00 0.00 H new ATOM 0 HG LEU A 32 2.728 -0.125 14.927 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.234 -1.373 16.441 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.057 -2.452 15.290 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.613 -2.361 16.979 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.334 0.697 17.218 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.751 -0.217 17.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.960 1.125 16.635 1.00 0.00 H new ATOM 525 N ASN A 33 6.231 -1.272 13.090 1.00 0.00 N ATOM 526 CA ASN A 33 7.105 -1.918 12.155 1.00 0.00 C ATOM 527 C ASN A 33 6.952 -1.328 10.753 1.00 0.00 C ATOM 528 O ASN A 33 7.871 -1.409 9.939 1.00 0.00 O ATOM 529 CB ASN A 33 6.826 -3.422 12.120 1.00 0.00 C ATOM 530 CG ASN A 33 7.933 -4.200 11.437 1.00 0.00 C ATOM 531 OD1 ASN A 33 9.082 -4.296 12.096 1.00 0.00 O flip ATOM 532 ND2 ASN A 33 7.758 -4.709 10.330 1.00 0.00 N flip ATOM 0 H ASN A 33 5.274 -1.151 12.760 1.00 0.00 H new ATOM 0 HA ASN A 33 8.130 -1.750 12.486 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.703 -3.790 13.139 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.885 -3.602 11.600 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.858 -4.610 9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.513 -5.230 9.883 1.00 0.00 H new ATOM 539 N THR A 34 5.784 -0.738 10.468 1.00 0.00 N ATOM 540 CA THR A 34 5.529 -0.146 9.148 1.00 0.00 C ATOM 541 C THR A 34 4.214 0.626 9.143 1.00 0.00 C ATOM 542 O THR A 34 3.450 0.575 10.106 1.00 0.00 O ATOM 543 CB THR A 34 5.500 -1.216 8.032 1.00 0.00 C ATOM 544 OG1 THR A 34 4.233 -1.251 7.397 1.00 0.00 O ATOM 545 CG2 THR A 34 5.804 -2.627 8.497 1.00 0.00 C ATOM 0 H THR A 34 5.008 -0.658 11.125 1.00 0.00 H new ATOM 0 HA THR A 34 6.352 0.539 8.946 1.00 0.00 H new ATOM 0 HB THR A 34 6.292 -0.907 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.238 -1.934 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.761 -3.308 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.801 -2.658 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.069 -2.931 9.243 1.00 0.00 H new ATOM 553 N ARG A 35 3.939 1.311 8.036 1.00 0.00 N ATOM 554 CA ARG A 35 2.693 2.054 7.896 1.00 0.00 C ATOM 555 C ARG A 35 2.271 2.182 6.443 1.00 0.00 C ATOM 556 O ARG A 35 3.097 2.112 5.535 1.00 0.00 O ATOM 557 CB ARG A 35 2.811 3.445 8.512 1.00 0.00 C ATOM 558 CG ARG A 35 1.641 3.792 9.414 1.00 0.00 C ATOM 559 CD ARG A 35 0.644 4.701 8.724 1.00 0.00 C ATOM 560 NE ARG A 35 -0.560 4.893 9.529 1.00 0.00 N ATOM 561 CZ ARG A 35 -0.793 5.970 10.277 1.00 0.00 C ATOM 562 NH1 ARG A 35 0.082 6.962 10.321 1.00 0.00 N ATOM 563 NH2 ARG A 35 -1.903 6.051 10.999 1.00 0.00 N ATOM 0 H ARG A 35 4.559 1.366 7.228 1.00 0.00 H new ATOM 0 HA ARG A 35 1.930 1.487 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.736 3.506 9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.881 4.185 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.140 2.876 9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.011 4.278 10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.108 5.667 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.372 4.276 7.758 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.266 4.157 9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.944 6.906 9.779 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.106 7.783 10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.579 5.288 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.080 6.877 11.571 1.00 0.00 H new ATOM 577 N LEU A 36 0.981 2.425 6.236 1.00 0.00 N ATOM 578 CA LEU A 36 0.451 2.624 4.900 1.00 0.00 C ATOM 579 C LEU A 36 0.721 4.061 4.505 1.00 0.00 C ATOM 580 O LEU A 36 0.159 4.986 5.092 1.00 0.00 O ATOM 581 CB LEU A 36 -1.049 2.341 4.867 1.00 0.00 C ATOM 582 CG LEU A 36 -1.663 2.250 3.468 1.00 0.00 C ATOM 583 CD1 LEU A 36 -0.874 1.281 2.598 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.122 1.828 3.556 1.00 0.00 C ATOM 0 H LEU A 36 0.286 2.488 6.980 1.00 0.00 H new ATOM 0 HA LEU A 36 0.931 1.939 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.238 1.404 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.563 3.126 5.422 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.617 3.236 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.326 1.230 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.156 1.627 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.886 0.291 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.544 1.768 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.190 0.853 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.678 2.561 4.141 1.00 0.00 H new ATOM 596 N VAL A 37 1.617 4.260 3.554 1.00 0.00 N ATOM 597 CA VAL A 37 1.978 5.610 3.160 1.00 0.00 C ATOM 598 C VAL A 37 1.637 5.953 1.730 1.00 0.00 C ATOM 599 O VAL A 37 1.535 5.089 0.860 1.00 0.00 O ATOM 600 CB VAL A 37 3.488 5.867 3.318 1.00 0.00 C ATOM 601 CG1 VAL A 37 3.876 5.956 4.785 1.00 0.00 C ATOM 602 CG2 VAL A 37 4.311 4.791 2.618 1.00 0.00 C ATOM 0 H VAL A 37 2.101 3.518 3.048 1.00 0.00 H new ATOM 0 HA VAL A 37 1.387 6.235 3.829 1.00 0.00 H new ATOM 0 HB VAL A 37 3.706 6.824 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.948 6.138 4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.332 6.774 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.627 5.020 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.372 5.002 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.079 3.817 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.071 4.783 1.555 1.00 0.00 H new ATOM 612 N ILE A 38 1.565 7.254 1.497 1.00 0.00 N ATOM 613 CA ILE A 38 1.349 7.791 0.178 1.00 0.00 C ATOM 614 C ILE A 38 2.679 8.397 -0.228 1.00 0.00 C ATOM 615 O ILE A 38 2.984 9.542 0.103 1.00 0.00 O ATOM 616 CB ILE A 38 0.254 8.877 0.156 1.00 0.00 C ATOM 617 CG1 ILE A 38 -0.915 8.494 1.070 1.00 0.00 C ATOM 618 CG2 ILE A 38 -0.229 9.092 -1.265 1.00 0.00 C ATOM 619 CD1 ILE A 38 -1.207 9.524 2.138 1.00 0.00 C ATOM 0 H ILE A 38 1.656 7.963 2.225 1.00 0.00 H new ATOM 0 HA ILE A 38 1.010 7.008 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 38 0.680 9.808 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.808 8.348 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.695 7.539 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.002 9.860 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.606 9.410 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.639 8.160 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.046 9.188 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.328 9.653 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.458 10.475 1.668 1.00 0.00 H new ATOM 631 N PRO A 39 3.526 7.595 -0.884 1.00 0.00 N ATOM 632 CA PRO A 39 4.872 8.005 -1.260 1.00 0.00 C ATOM 633 C PRO A 39 4.949 9.366 -1.952 1.00 0.00 C ATOM 634 O PRO A 39 4.658 9.489 -3.136 1.00 0.00 O ATOM 635 CB PRO A 39 5.354 6.893 -2.203 1.00 0.00 C ATOM 636 CG PRO A 39 4.189 5.974 -2.406 1.00 0.00 C ATOM 637 CD PRO A 39 3.273 6.192 -1.241 1.00 0.00 C ATOM 0 HA PRO A 39 5.488 8.132 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.691 7.308 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.200 6.358 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.681 6.192 -3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.517 4.936 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.230 6.025 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.501 5.517 -0.416 1.00 0.00 H new ATOM 645 N LEU A 40 5.382 10.381 -1.213 1.00 0.00 N ATOM 646 CA LEU A 40 5.542 11.720 -1.764 1.00 0.00 C ATOM 647 C LEU A 40 6.705 11.742 -2.730 1.00 0.00 C ATOM 648 O LEU A 40 7.636 10.948 -2.607 1.00 0.00 O ATOM 649 CB LEU A 40 5.794 12.728 -0.647 1.00 0.00 C ATOM 650 CG LEU A 40 4.544 13.234 0.043 1.00 0.00 C ATOM 651 CD1 LEU A 40 4.848 13.612 1.484 1.00 0.00 C ATOM 652 CD2 LEU A 40 3.965 14.419 -0.713 1.00 0.00 C ATOM 0 H LEU A 40 5.629 10.301 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 40 4.626 11.991 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.443 12.269 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.335 13.580 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 40 3.802 12.435 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.939 13.973 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.219 12.738 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.605 14.396 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.067 14.771 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.701 15.222 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.711 14.114 -1.728 1.00 0.00 H new ATOM 664 N THR A 41 6.652 12.641 -3.696 1.00 0.00 N ATOM 665 CA THR A 41 7.719 12.733 -4.668 1.00 0.00 C ATOM 666 C THR A 41 7.744 14.089 -5.364 1.00 0.00 C ATOM 667 O THR A 41 6.779 14.848 -5.299 1.00 0.00 O ATOM 668 CB THR A 41 7.618 11.567 -5.639 1.00 0.00 C ATOM 669 OG1 THR A 41 8.245 11.852 -6.876 1.00 0.00 O ATOM 670 CG2 THR A 41 6.199 11.118 -5.938 1.00 0.00 C ATOM 0 H THR A 41 5.891 13.308 -3.826 1.00 0.00 H new ATOM 0 HA THR A 41 8.677 12.661 -4.153 1.00 0.00 H new ATOM 0 HB THR A 41 8.130 10.758 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.840 11.112 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.222 10.283 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.715 10.803 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.641 11.945 -6.377 1.00 0.00 H new ATOM 678 N PRO A 42 8.872 14.435 -6.005 1.00 0.00 N ATOM 679 CA PRO A 42 9.041 15.728 -6.673 1.00 0.00 C ATOM 680 C PRO A 42 8.298 15.836 -7.988 1.00 0.00 C ATOM 681 O PRO A 42 8.549 15.097 -8.940 1.00 0.00 O ATOM 682 CB PRO A 42 10.555 15.787 -6.868 1.00 0.00 C ATOM 683 CG PRO A 42 10.913 14.374 -7.112 1.00 0.00 C ATOM 684 CD PRO A 42 10.104 13.621 -6.101 1.00 0.00 C ATOM 0 HA PRO A 42 8.629 16.555 -6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.829 16.424 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.060 16.185 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.667 14.069 -8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.981 14.203 -6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.893 12.603 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.618 13.549 -5.143 1.00 0.00 H new ATOM 692 N ILE A 43 7.383 16.792 -8.012 1.00 0.00 N ATOM 693 CA ILE A 43 6.571 17.073 -9.177 1.00 0.00 C ATOM 694 C ILE A 43 7.441 17.386 -10.390 1.00 0.00 C ATOM 695 O ILE A 43 7.005 17.259 -11.535 1.00 0.00 O ATOM 696 CB ILE A 43 5.634 18.262 -8.878 1.00 0.00 C ATOM 697 CG1 ILE A 43 4.413 17.759 -8.126 1.00 0.00 C ATOM 698 CG2 ILE A 43 5.258 19.005 -10.155 1.00 0.00 C ATOM 699 CD1 ILE A 43 3.290 18.767 -8.060 1.00 0.00 C ATOM 0 H ILE A 43 7.184 17.397 -7.215 1.00 0.00 H new ATOM 0 HA ILE A 43 5.978 16.188 -9.407 1.00 0.00 H new ATOM 0 HB ILE A 43 6.154 18.983 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.048 16.851 -8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.707 17.487 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.597 19.837 -9.911 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.160 19.386 -10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.747 18.324 -10.835 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.451 18.342 -7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.638 19.667 -7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.969 19.021 -9.070 1.00 0.00 H new ATOM 711 N GLU A 44 8.664 17.812 -10.122 1.00 0.00 N ATOM 712 CA GLU A 44 9.605 18.169 -11.168 1.00 0.00 C ATOM 713 C GLU A 44 10.179 16.939 -11.865 1.00 0.00 C ATOM 714 O GLU A 44 10.218 16.879 -13.094 1.00 0.00 O ATOM 715 CB GLU A 44 10.717 19.009 -10.556 1.00 0.00 C ATOM 716 CG GLU A 44 11.701 19.559 -11.573 1.00 0.00 C ATOM 717 CD GLU A 44 13.127 19.568 -11.061 1.00 0.00 C ATOM 718 OE1 GLU A 44 13.464 20.463 -10.257 1.00 0.00 O ATOM 719 OE2 GLU A 44 13.908 18.680 -11.463 1.00 0.00 O ATOM 0 H GLU A 44 9.031 17.920 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 44 9.079 18.742 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.272 19.840 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.260 18.403 -9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.650 18.961 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.410 20.574 -11.842 1.00 0.00 H new ATOM 726 N LEU A 45 10.625 15.961 -11.085 1.00 0.00 N ATOM 727 CA LEU A 45 11.193 14.743 -11.654 1.00 0.00 C ATOM 728 C LEU A 45 10.153 13.986 -12.476 1.00 0.00 C ATOM 729 O LEU A 45 10.498 13.140 -13.301 1.00 0.00 O ATOM 730 CB LEU A 45 11.744 13.838 -10.550 1.00 0.00 C ATOM 731 CG LEU A 45 12.799 14.480 -9.644 1.00 0.00 C ATOM 732 CD1 LEU A 45 13.448 13.428 -8.758 1.00 0.00 C ATOM 733 CD2 LEU A 45 13.852 15.201 -10.473 1.00 0.00 C ATOM 0 H LEU A 45 10.605 15.986 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 45 12.011 15.034 -12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.913 13.501 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.177 12.951 -11.012 1.00 0.00 H new ATOM 0 HG LEU A 45 12.304 15.213 -9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.195 13.900 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.687 12.956 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.928 12.673 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.592 15.650 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.343 14.489 -11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.376 15.981 -11.067 1.00 0.00 H new ATOM 745 N LEU A 46 8.879 14.294 -12.248 1.00 0.00 N ATOM 746 CA LEU A 46 7.795 13.641 -12.971 1.00 0.00 C ATOM 747 C LEU A 46 7.249 14.547 -14.072 1.00 0.00 C ATOM 748 O LEU A 46 7.347 14.229 -15.257 1.00 0.00 O ATOM 749 CB LEU A 46 6.673 13.251 -12.005 1.00 0.00 C ATOM 750 CG LEU A 46 6.638 11.772 -11.617 1.00 0.00 C ATOM 751 CD1 LEU A 46 5.563 11.519 -10.572 1.00 0.00 C ATOM 752 CD2 LEU A 46 6.405 10.905 -12.846 1.00 0.00 C ATOM 0 H LEU A 46 8.574 14.991 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 46 8.192 12.739 -13.436 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.772 13.847 -11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.717 13.515 -12.457 1.00 0.00 H new ATOM 0 HG LEU A 46 7.603 11.506 -11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.553 10.461 -10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.774 12.113 -9.682 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.590 11.801 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.383 9.856 -12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.454 11.173 -13.305 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.211 11.064 -13.562 1.00 0.00 H new ATOM 764 N ASP A 47 6.673 15.679 -13.671 1.00 0.00 N ATOM 765 CA ASP A 47 6.109 16.636 -14.620 1.00 0.00 C ATOM 766 C ASP A 47 5.332 17.711 -13.913 1.00 0.00 C ATOM 767 O ASP A 47 4.316 17.462 -13.263 1.00 0.00 O ATOM 768 CB ASP A 47 5.203 15.954 -15.644 1.00 0.00 C ATOM 769 CG ASP A 47 4.466 14.755 -15.076 1.00 0.00 C ATOM 770 OD1 ASP A 47 4.233 14.728 -13.850 1.00 0.00 O ATOM 771 OD2 ASP A 47 4.123 13.844 -15.859 1.00 0.00 O ATOM 0 H ASP A 47 6.585 15.956 -12.693 1.00 0.00 H new ATOM 0 HA ASP A 47 6.952 17.086 -15.144 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.477 16.676 -16.017 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.803 15.635 -16.496 1.00 0.00 H new ATOM 776 N LYS A 48 5.830 18.912 -14.068 1.00 0.00 N ATOM 777 CA LYS A 48 5.224 20.076 -13.481 1.00 0.00 C ATOM 778 C LYS A 48 3.898 20.407 -14.165 1.00 0.00 C ATOM 779 O LYS A 48 3.108 21.207 -13.663 1.00 0.00 O ATOM 780 CB LYS A 48 6.192 21.238 -13.611 1.00 0.00 C ATOM 781 CG LYS A 48 6.694 21.762 -12.278 1.00 0.00 C ATOM 782 CD LYS A 48 8.019 21.125 -11.910 1.00 0.00 C ATOM 783 CE LYS A 48 9.093 21.442 -12.940 1.00 0.00 C ATOM 784 NZ LYS A 48 9.380 20.278 -13.825 1.00 0.00 N ATOM 0 H LYS A 48 6.672 19.109 -14.609 1.00 0.00 H new ATOM 0 HA LYS A 48 5.010 19.883 -12.430 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.045 20.924 -14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.703 22.049 -14.150 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.808 22.845 -12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.958 21.555 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.336 21.482 -10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.896 20.045 -11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.774 22.289 -13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.008 21.743 -12.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.350 19.943 -13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.708 19.511 -13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.283 20.566 -14.820 1.00 0.00 H new ATOM 798 N LYS A 49 3.669 19.787 -15.320 1.00 0.00 N ATOM 799 CA LYS A 49 2.451 20.012 -16.090 1.00 0.00 C ATOM 800 C LYS A 49 1.397 18.951 -15.782 1.00 0.00 C ATOM 801 O LYS A 49 0.656 18.526 -16.669 1.00 0.00 O ATOM 802 CB LYS A 49 2.768 20.007 -17.588 1.00 0.00 C ATOM 803 CG LYS A 49 3.761 18.929 -18.001 1.00 0.00 C ATOM 804 CD LYS A 49 3.392 18.313 -19.341 1.00 0.00 C ATOM 805 CE LYS A 49 3.651 16.815 -19.355 1.00 0.00 C ATOM 806 NZ LYS A 49 3.968 16.319 -20.723 1.00 0.00 N ATOM 0 H LYS A 49 4.315 19.122 -15.744 1.00 0.00 H new ATOM 0 HA LYS A 49 2.049 20.985 -15.806 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.842 19.868 -18.146 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.166 20.982 -17.869 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.761 19.358 -18.060 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.793 18.151 -17.238 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.340 18.504 -19.553 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.968 18.791 -20.133 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.478 16.583 -18.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.775 16.291 -18.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.138 15.294 -20.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.168 16.517 -21.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.819 16.800 -21.078 1.00 0.00 H new ATOM 820 N ALA A 50 1.330 18.528 -14.524 1.00 0.00 N ATOM 821 CA ALA A 50 0.360 17.520 -14.113 1.00 0.00 C ATOM 822 C ALA A 50 -0.637 18.092 -13.106 1.00 0.00 C ATOM 823 O ALA A 50 -0.295 18.316 -11.945 1.00 0.00 O ATOM 824 CB ALA A 50 1.075 16.315 -13.520 1.00 0.00 C ATOM 0 H ALA A 50 1.933 18.866 -13.774 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.196 17.205 -14.996 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.340 15.569 -13.217 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.743 15.884 -14.266 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.655 16.627 -12.651 1.00 0.00 H new ATOM 830 N PRO A 51 -1.889 18.338 -13.535 1.00 0.00 N ATOM 831 CA PRO A 51 -2.928 18.884 -12.661 1.00 0.00 C ATOM 832 C PRO A 51 -3.560 17.816 -11.774 1.00 0.00 C ATOM 833 O PRO A 51 -4.012 16.781 -12.262 1.00 0.00 O ATOM 834 CB PRO A 51 -3.952 19.430 -13.652 1.00 0.00 C ATOM 835 CG PRO A 51 -3.834 18.536 -14.839 1.00 0.00 C ATOM 836 CD PRO A 51 -2.391 18.104 -14.905 1.00 0.00 C ATOM 0 HA PRO A 51 -2.537 19.629 -11.968 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.959 19.407 -13.236 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.739 20.467 -13.913 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.494 17.674 -14.743 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.125 19.059 -15.750 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.300 17.056 -15.191 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.833 18.684 -15.640 1.00 0.00 H new ATOM 844 N SER A 52 -3.592 18.079 -10.469 1.00 0.00 N ATOM 845 CA SER A 52 -4.172 17.147 -9.503 1.00 0.00 C ATOM 846 C SER A 52 -3.699 15.712 -9.756 1.00 0.00 C ATOM 847 O SER A 52 -2.673 15.289 -9.224 1.00 0.00 O ATOM 848 CB SER A 52 -5.701 17.222 -9.546 1.00 0.00 C ATOM 849 OG SER A 52 -6.162 17.493 -10.858 1.00 0.00 O ATOM 0 H SER A 52 -3.221 18.934 -10.054 1.00 0.00 H new ATOM 0 HA SER A 52 -3.831 17.438 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.124 16.281 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.049 18.000 -8.867 1.00 0.00 H new ATOM 0 HG SER A 52 -7.141 17.534 -10.859 1.00 0.00 H new ATOM 855 N HIS A 53 -4.449 14.968 -10.569 1.00 0.00 N ATOM 856 CA HIS A 53 -4.097 13.588 -10.886 1.00 0.00 C ATOM 857 C HIS A 53 -3.953 12.752 -9.617 1.00 0.00 C ATOM 858 O HIS A 53 -2.977 12.020 -9.453 1.00 0.00 O ATOM 859 CB HIS A 53 -2.797 13.545 -11.692 1.00 0.00 C ATOM 860 CG HIS A 53 -2.999 13.721 -13.164 1.00 0.00 C ATOM 861 ND1 HIS A 53 -2.328 14.669 -13.909 1.00 0.00 N ATOM 862 CD2 HIS A 53 -3.803 13.064 -14.034 1.00 0.00 C ATOM 863 CE1 HIS A 53 -2.711 14.587 -15.171 1.00 0.00 C ATOM 864 NE2 HIS A 53 -3.605 13.621 -15.273 1.00 0.00 N ATOM 0 H HIS A 53 -5.303 15.299 -11.018 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.903 13.164 -11.485 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.129 14.326 -11.330 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.300 12.592 -11.513 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.475 12.253 -13.797 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.353 15.205 -15.981 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.073 13.335 -16.133 1.00 0.00 H new ATOM 873 N LEU A 54 -4.933 12.868 -8.723 1.00 0.00 N ATOM 874 CA LEU A 54 -4.921 12.125 -7.465 1.00 0.00 C ATOM 875 C LEU A 54 -3.803 12.616 -6.551 1.00 0.00 C ATOM 876 O LEU A 54 -4.060 13.186 -5.491 1.00 0.00 O ATOM 877 CB LEU A 54 -4.761 10.625 -7.728 1.00 0.00 C ATOM 878 CG LEU A 54 -4.939 9.729 -6.500 1.00 0.00 C ATOM 879 CD1 LEU A 54 -6.360 9.191 -6.433 1.00 0.00 C ATOM 880 CD2 LEU A 54 -3.935 8.586 -6.524 1.00 0.00 C ATOM 0 H LEU A 54 -5.747 13.471 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.875 12.297 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.485 10.325 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.770 10.449 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.757 10.328 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.468 8.556 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.061 10.023 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.571 8.608 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.076 7.959 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.086 7.988 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.923 8.991 -6.523 1.00 0.00 H new ATOM 892 N CYS A 55 -2.561 12.390 -6.969 1.00 0.00 N ATOM 893 CA CYS A 55 -1.401 12.808 -6.189 1.00 0.00 C ATOM 894 C CYS A 55 -1.420 14.318 -5.947 1.00 0.00 C ATOM 895 O CYS A 55 -1.212 15.103 -6.873 1.00 0.00 O ATOM 896 CB CYS A 55 -0.110 12.414 -6.908 1.00 0.00 C ATOM 897 SG CYS A 55 -0.094 10.712 -7.521 1.00 0.00 S ATOM 0 H CYS A 55 -2.332 11.919 -7.844 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.443 12.303 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.047 13.092 -7.747 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.729 12.551 -6.226 1.00 0.00 H new ATOM 0 HG CYS A 55 0.664 10.637 -8.574 1.00 0.00 H new ATOM 903 N PRO A 56 -1.670 14.749 -4.697 1.00 0.00 N ATOM 904 CA PRO A 56 -1.714 16.165 -4.344 1.00 0.00 C ATOM 905 C PRO A 56 -0.334 16.726 -4.017 1.00 0.00 C ATOM 906 O PRO A 56 0.443 16.107 -3.291 1.00 0.00 O ATOM 907 CB PRO A 56 -2.599 16.167 -3.103 1.00 0.00 C ATOM 908 CG PRO A 56 -2.309 14.866 -2.434 1.00 0.00 C ATOM 909 CD PRO A 56 -1.931 13.891 -3.525 1.00 0.00 C ATOM 0 HA PRO A 56 -2.081 16.788 -5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.366 17.009 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.653 16.251 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.498 14.974 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.180 14.512 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.051 13.309 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.734 13.181 -3.721 1.00 0.00 H new ATOM 917 N THR A 57 -0.038 17.904 -4.555 1.00 0.00 N ATOM 918 CA THR A 57 1.248 18.553 -4.319 1.00 0.00 C ATOM 919 C THR A 57 1.356 19.079 -2.926 1.00 0.00 C ATOM 920 O THR A 57 0.365 19.223 -2.209 1.00 0.00 O ATOM 921 CB THR A 57 1.506 19.715 -5.272 1.00 0.00 C ATOM 922 OG1 THR A 57 2.889 19.817 -5.595 1.00 0.00 O ATOM 923 CG2 THR A 57 1.077 21.063 -4.710 1.00 0.00 C ATOM 0 H THR A 57 -0.671 18.430 -5.158 1.00 0.00 H new ATOM 0 HA THR A 57 1.991 17.774 -4.489 1.00 0.00 H new ATOM 0 HB THR A 57 0.907 19.490 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.311 18.937 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.289 21.845 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.008 21.045 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.626 21.265 -3.791 1.00 0.00 H new ATOM 931 N ILE A 58 2.576 19.412 -2.567 1.00 0.00 N ATOM 932 CA ILE A 58 2.818 19.978 -1.275 1.00 0.00 C ATOM 933 C ILE A 58 3.724 21.202 -1.357 1.00 0.00 C ATOM 934 O ILE A 58 4.392 21.435 -2.365 1.00 0.00 O ATOM 935 CB ILE A 58 3.386 18.937 -0.281 1.00 0.00 C ATOM 936 CG1 ILE A 58 2.248 18.369 0.554 1.00 0.00 C ATOM 937 CG2 ILE A 58 4.478 19.515 0.613 1.00 0.00 C ATOM 938 CD1 ILE A 58 2.073 16.890 0.371 1.00 0.00 C ATOM 0 H ILE A 58 3.404 19.299 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 58 1.851 20.302 -0.891 1.00 0.00 H new ATOM 0 HB ILE A 58 3.854 18.141 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.436 18.580 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.320 18.876 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.841 18.742 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.302 19.872 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.073 20.344 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.247 16.542 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.856 16.676 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.989 16.376 0.664 1.00 0.00 H new ATOM 950 N HIS A 59 3.756 21.957 -0.269 1.00 0.00 N ATOM 951 CA HIS A 59 4.593 23.137 -0.172 1.00 0.00 C ATOM 952 C HIS A 59 5.431 23.042 1.083 1.00 0.00 C ATOM 953 O HIS A 59 5.048 23.518 2.151 1.00 0.00 O ATOM 954 CB HIS A 59 3.767 24.409 -0.139 1.00 0.00 C ATOM 955 CG HIS A 59 2.949 24.635 -1.372 1.00 0.00 C ATOM 956 ND1 HIS A 59 2.101 23.814 -2.037 1.00 0.00 N flip ATOM 957 CD2 HIS A 59 2.948 25.826 -2.067 1.00 0.00 C flip ATOM 958 CE1 HIS A 59 1.610 24.518 -3.109 1.00 0.00 C flip ATOM 959 NE2 HIS A 59 2.135 25.728 -3.105 1.00 0.00 N flip ATOM 0 H HIS A 59 3.203 21.767 0.567 1.00 0.00 H new ATOM 0 HA HIS A 59 5.231 23.180 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.103 24.377 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.434 25.260 0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.522 26.702 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.907 24.142 -3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.946 26.463 -3.787 1.00 0.00 H new ATOM 968 N ILE A 60 6.564 22.396 0.939 1.00 0.00 N ATOM 969 CA ILE A 60 7.478 22.185 2.045 1.00 0.00 C ATOM 970 C ILE A 60 8.858 22.748 1.723 1.00 0.00 C ATOM 971 O ILE A 60 9.133 23.125 0.584 1.00 0.00 O ATOM 972 CB ILE A 60 7.578 20.682 2.381 1.00 0.00 C ATOM 973 CG1 ILE A 60 7.988 19.887 1.141 1.00 0.00 C ATOM 974 CG2 ILE A 60 6.241 20.174 2.919 1.00 0.00 C ATOM 975 CD1 ILE A 60 8.802 18.652 1.456 1.00 0.00 C ATOM 0 H ILE A 60 6.881 22.001 0.054 1.00 0.00 H new ATOM 0 HA ILE A 60 7.087 22.713 2.915 1.00 0.00 H new ATOM 0 HB ILE A 60 8.340 20.544 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.091 19.592 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.565 20.533 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.323 19.113 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.979 20.725 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.466 20.321 2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.057 18.138 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.716 18.941 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.220 17.985 2.092 1.00 0.00 H new ATOM 987 N ASP A 61 9.717 22.825 2.735 1.00 0.00 N ATOM 988 CA ASP A 61 11.063 23.366 2.561 1.00 0.00 C ATOM 989 C ASP A 61 11.772 22.752 1.359 1.00 0.00 C ATOM 990 O ASP A 61 12.449 23.451 0.606 1.00 0.00 O ATOM 991 CB ASP A 61 11.892 23.146 3.826 1.00 0.00 C ATOM 992 CG ASP A 61 11.315 23.867 5.029 1.00 0.00 C ATOM 993 OD1 ASP A 61 10.533 24.820 4.831 1.00 0.00 O ATOM 994 OD2 ASP A 61 11.646 23.478 6.169 1.00 0.00 O ATOM 0 H ASP A 61 9.506 22.520 3.685 1.00 0.00 H new ATOM 0 HA ASP A 61 10.962 24.436 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.949 22.078 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.911 23.491 3.654 1.00 0.00 H new ATOM 999 N GLU A 62 11.616 21.448 1.182 1.00 0.00 N ATOM 1000 CA GLU A 62 12.248 20.757 0.066 1.00 0.00 C ATOM 1001 C GLU A 62 11.679 21.235 -1.271 1.00 0.00 C ATOM 1002 O GLU A 62 12.258 20.976 -2.326 1.00 0.00 O ATOM 1003 CB GLU A 62 12.065 19.245 0.206 1.00 0.00 C ATOM 1004 CG GLU A 62 12.928 18.625 1.293 1.00 0.00 C ATOM 1005 CD GLU A 62 12.725 19.279 2.646 1.00 0.00 C ATOM 1006 OE1 GLU A 62 11.564 19.586 2.989 1.00 0.00 O ATOM 1007 OE2 GLU A 62 13.728 19.486 3.362 1.00 0.00 O ATOM 0 H GLU A 62 11.060 20.849 1.793 1.00 0.00 H new ATOM 0 HA GLU A 62 13.313 20.989 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.018 19.033 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.298 18.770 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.700 17.562 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.977 18.706 1.009 1.00 0.00 H new ATOM 1014 N GLY A 63 10.546 21.936 -1.223 1.00 0.00 N ATOM 1015 CA GLY A 63 9.932 22.432 -2.445 1.00 0.00 C ATOM 1016 C GLY A 63 8.582 21.794 -2.727 1.00 0.00 C ATOM 1017 O GLY A 63 7.840 21.461 -1.803 1.00 0.00 O ATOM 0 H GLY A 63 10.045 22.168 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.810 23.513 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.601 22.243 -3.285 1.00 0.00 H new ATOM 1021 N ASP A 64 8.262 21.628 -4.010 1.00 0.00 N ATOM 1022 CA ASP A 64 6.990 21.031 -4.417 1.00 0.00 C ATOM 1023 C ASP A 64 7.127 19.524 -4.615 1.00 0.00 C ATOM 1024 O ASP A 64 8.144 19.040 -5.112 1.00 0.00 O ATOM 1025 CB ASP A 64 6.486 21.682 -5.706 1.00 0.00 C ATOM 1026 CG ASP A 64 6.000 23.101 -5.485 1.00 0.00 C ATOM 1027 OD1 ASP A 64 6.792 23.930 -4.989 1.00 0.00 O ATOM 1028 OD2 ASP A 64 4.827 23.384 -5.807 1.00 0.00 O ATOM 0 H ASP A 64 8.866 21.899 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 64 6.267 21.207 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.287 21.686 -6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.674 21.083 -6.119 1.00 0.00 H new ATOM 1033 N PHE A 65 6.096 18.789 -4.208 1.00 0.00 N ATOM 1034 CA PHE A 65 6.090 17.334 -4.320 1.00 0.00 C ATOM 1035 C PHE A 65 4.665 16.818 -4.467 1.00 0.00 C ATOM 1036 O PHE A 65 3.744 17.612 -4.609 1.00 0.00 O ATOM 1037 CB PHE A 65 6.790 16.732 -3.109 1.00 0.00 C ATOM 1038 CG PHE A 65 8.153 17.325 -2.918 1.00 0.00 C ATOM 1039 CD1 PHE A 65 9.221 16.870 -3.666 1.00 0.00 C ATOM 1040 CD2 PHE A 65 8.358 18.362 -2.025 1.00 0.00 C ATOM 1041 CE1 PHE A 65 10.476 17.431 -3.529 1.00 0.00 C ATOM 1042 CE2 PHE A 65 9.608 18.934 -1.883 1.00 0.00 C ATOM 1043 CZ PHE A 65 10.670 18.467 -2.637 1.00 0.00 C ATOM 0 H PHE A 65 5.249 19.180 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 65 6.634 17.031 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.188 16.903 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.875 15.653 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.073 16.063 -4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.532 18.728 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.302 17.061 -4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.756 19.744 -1.185 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.648 18.912 -2.528 1.00 0.00 H new ATOM 1053 N ILE A 66 4.477 15.498 -4.454 1.00 0.00 N ATOM 1054 CA ILE A 66 3.137 14.933 -4.607 1.00 0.00 C ATOM 1055 C ILE A 66 3.014 13.560 -3.964 1.00 0.00 C ATOM 1056 O ILE A 66 3.773 12.645 -4.278 1.00 0.00 O ATOM 1057 CB ILE A 66 2.717 14.808 -6.091 1.00 0.00 C ATOM 1058 CG1 ILE A 66 3.939 14.741 -7.001 1.00 0.00 C ATOM 1059 CG2 ILE A 66 1.814 15.963 -6.493 1.00 0.00 C ATOM 1060 CD1 ILE A 66 4.841 13.582 -6.682 1.00 0.00 C ATOM 0 H ILE A 66 5.222 14.810 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 66 2.474 15.634 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 66 2.159 13.879 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.610 14.665 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.503 15.669 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.530 15.856 -7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.918 15.958 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.345 16.905 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.693 13.586 -7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.196 13.669 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.289 12.649 -6.797 1.00 0.00 H new ATOM 1072 N MET A 67 2.028 13.403 -3.086 1.00 0.00 N ATOM 1073 CA MET A 67 1.806 12.115 -2.451 1.00 0.00 C ATOM 1074 C MET A 67 1.377 11.118 -3.515 1.00 0.00 C ATOM 1075 O MET A 67 0.289 11.228 -4.080 1.00 0.00 O ATOM 1076 CB MET A 67 0.736 12.214 -1.362 1.00 0.00 C ATOM 1077 CG MET A 67 1.050 13.232 -0.282 1.00 0.00 C ATOM 1078 SD MET A 67 -0.066 13.116 1.128 1.00 0.00 S ATOM 1079 CE MET A 67 -1.635 12.849 0.308 1.00 0.00 C ATOM 0 H MET A 67 1.382 14.140 -2.804 1.00 0.00 H new ATOM 0 HA MET A 67 2.731 11.786 -1.977 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.217 12.472 -1.825 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.611 11.235 -0.899 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.076 13.090 0.059 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.991 14.235 -0.705 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.354 12.446 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.006 13.796 -0.085 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.502 12.143 -0.512 1.00 0.00 H new ATOM 1089 N LEU A 68 2.242 10.159 -3.800 1.00 0.00 N ATOM 1090 CA LEU A 68 1.946 9.161 -4.822 1.00 0.00 C ATOM 1091 C LEU A 68 0.913 8.148 -4.318 1.00 0.00 C ATOM 1092 O LEU A 68 1.256 7.030 -3.932 1.00 0.00 O ATOM 1093 CB LEU A 68 3.240 8.464 -5.284 1.00 0.00 C ATOM 1094 CG LEU A 68 3.706 8.829 -6.696 1.00 0.00 C ATOM 1095 CD1 LEU A 68 4.864 7.939 -7.122 1.00 0.00 C ATOM 1096 CD2 LEU A 68 2.556 8.731 -7.691 1.00 0.00 C ATOM 0 H LEU A 68 3.148 10.048 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 68 1.511 9.668 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.036 8.708 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.091 7.385 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 68 4.053 9.862 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.182 8.213 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.696 8.069 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.544 6.897 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.913 8.995 -8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.171 7.711 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.761 9.416 -7.397 1.00 0.00 H new ATOM 1108 N THR A 69 -0.359 8.562 -4.327 1.00 0.00 N ATOM 1109 CA THR A 69 -1.467 7.712 -3.875 1.00 0.00 C ATOM 1110 C THR A 69 -1.850 6.683 -4.937 1.00 0.00 C ATOM 1111 O THR A 69 -2.586 5.737 -4.655 1.00 0.00 O ATOM 1112 CB THR A 69 -2.692 8.572 -3.518 1.00 0.00 C ATOM 1113 OG1 THR A 69 -2.469 9.929 -3.856 1.00 0.00 O ATOM 1114 CG2 THR A 69 -3.070 8.525 -2.047 1.00 0.00 C ATOM 0 H THR A 69 -0.648 9.487 -4.645 1.00 0.00 H new ATOM 0 HA THR A 69 -1.131 7.177 -2.987 1.00 0.00 H new ATOM 0 HB THR A 69 -3.511 8.144 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.260 10.458 -3.623 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.942 9.156 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.303 7.499 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.236 8.887 -1.445 1.00 0.00 H new ATOM 1122 N GLN A 70 -1.351 6.866 -6.157 1.00 0.00 N ATOM 1123 CA GLN A 70 -1.651 5.944 -7.248 1.00 0.00 C ATOM 1124 C GLN A 70 -1.022 4.571 -7.005 1.00 0.00 C ATOM 1125 O GLN A 70 -1.299 3.618 -7.733 1.00 0.00 O ATOM 1126 CB GLN A 70 -1.156 6.516 -8.577 1.00 0.00 C ATOM 1127 CG GLN A 70 0.342 6.770 -8.611 1.00 0.00 C ATOM 1128 CD GLN A 70 1.043 5.995 -9.711 1.00 0.00 C ATOM 1129 OE1 GLN A 70 0.670 4.731 -9.875 1.00 0.00 O flip ATOM 1130 NE2 GLN A 70 1.909 6.526 -10.405 1.00 0.00 N flip ATOM 0 H GLN A 70 -0.740 7.641 -6.414 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.733 5.820 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.417 5.826 -9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.679 7.451 -8.778 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.522 7.836 -8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.774 6.498 -7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.165 7.500 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.371 5.992 -11.141 1.00 0.00 H new ATOM 1139 N GLN A 71 -0.176 4.474 -5.981 1.00 0.00 N ATOM 1140 CA GLN A 71 0.484 3.218 -5.652 1.00 0.00 C ATOM 1141 C GLN A 71 0.302 2.889 -4.177 1.00 0.00 C ATOM 1142 O GLN A 71 -0.355 1.910 -3.825 1.00 0.00 O ATOM 1143 CB GLN A 71 1.976 3.302 -5.983 1.00 0.00 C ATOM 1144 CG GLN A 71 2.259 3.769 -7.401 1.00 0.00 C ATOM 1145 CD GLN A 71 3.738 3.980 -7.662 1.00 0.00 C ATOM 1146 OE1 GLN A 71 4.160 5.061 -8.071 1.00 0.00 O ATOM 1147 NE2 GLN A 71 4.534 2.944 -7.424 1.00 0.00 N ATOM 0 H GLN A 71 0.067 5.251 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 71 0.030 2.426 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.457 3.984 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.428 2.321 -5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.871 3.034 -8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.725 4.701 -7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.141 2.066 -7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.539 3.026 -7.580 1.00 0.00 H new ATOM 1156 N MET A 72 0.891 3.711 -3.319 1.00 0.00 N ATOM 1157 CA MET A 72 0.796 3.505 -1.882 1.00 0.00 C ATOM 1158 C MET A 72 1.410 2.165 -1.494 1.00 0.00 C ATOM 1159 O MET A 72 0.926 1.106 -1.892 1.00 0.00 O ATOM 1160 CB MET A 72 -0.660 3.572 -1.427 1.00 0.00 C ATOM 1161 CG MET A 72 -0.827 4.165 -0.037 1.00 0.00 C ATOM 1162 SD MET A 72 -2.531 4.119 0.550 1.00 0.00 S ATOM 1163 CE MET A 72 -2.988 2.438 0.140 1.00 0.00 C ATOM 0 H MET A 72 1.439 4.526 -3.594 1.00 0.00 H new ATOM 0 HA MET A 72 1.352 4.299 -1.384 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.230 4.168 -2.140 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.084 2.568 -1.440 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.193 3.620 0.663 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.479 5.198 -0.045 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.883 2.158 0.696 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.188 2.366 -0.929 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.172 1.765 0.403 1.00 0.00 H new ATOM 1173 N THR A 73 2.486 2.224 -0.723 1.00 0.00 N ATOM 1174 CA THR A 73 3.183 1.022 -0.284 1.00 0.00 C ATOM 1175 C THR A 73 3.613 1.155 1.170 1.00 0.00 C ATOM 1176 O THR A 73 4.063 2.218 1.589 1.00 0.00 O ATOM 1177 CB THR A 73 4.407 0.784 -1.170 1.00 0.00 C ATOM 1178 OG1 THR A 73 5.162 1.977 -1.315 1.00 0.00 O ATOM 1179 CG2 THR A 73 4.055 0.292 -2.557 1.00 0.00 C ATOM 0 H THR A 73 2.897 3.095 -0.387 1.00 0.00 H new ATOM 0 HA THR A 73 2.505 0.173 -0.368 1.00 0.00 H new ATOM 0 HB THR A 73 4.984 0.011 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.941 1.804 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.968 0.143 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.516 -0.652 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.427 1.030 -3.056 1.00 0.00 H new ATOM 1187 N SER A 74 3.480 0.079 1.941 1.00 0.00 N ATOM 1188 CA SER A 74 3.865 0.117 3.346 1.00 0.00 C ATOM 1189 C SER A 74 5.378 0.200 3.483 1.00 0.00 C ATOM 1190 O SER A 74 6.105 -0.717 3.104 1.00 0.00 O ATOM 1191 CB SER A 74 3.328 -1.103 4.097 1.00 0.00 C ATOM 1192 OG SER A 74 2.256 -1.705 3.394 1.00 0.00 O ATOM 0 H SER A 74 3.114 -0.818 1.621 1.00 0.00 H new ATOM 0 HA SER A 74 3.425 1.009 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.129 -1.829 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.993 -0.804 5.090 1.00 0.00 H new ATOM 0 HG SER A 74 1.452 -1.696 3.954 1.00 0.00 H new ATOM 1198 N VAL A 75 5.834 1.323 4.023 1.00 0.00 N ATOM 1199 CA VAL A 75 7.256 1.574 4.219 1.00 0.00 C ATOM 1200 C VAL A 75 7.707 1.119 5.605 1.00 0.00 C ATOM 1201 O VAL A 75 7.353 1.728 6.614 1.00 0.00 O ATOM 1202 CB VAL A 75 7.572 3.069 4.035 1.00 0.00 C ATOM 1203 CG1 VAL A 75 7.301 3.488 2.603 1.00 0.00 C ATOM 1204 CG2 VAL A 75 6.792 3.922 5.025 1.00 0.00 C ATOM 0 H VAL A 75 5.231 2.083 4.337 1.00 0.00 H new ATOM 0 HA VAL A 75 7.801 1.000 3.470 1.00 0.00 H new ATOM 0 HB VAL A 75 8.631 3.228 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.528 4.548 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.928 2.905 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.252 3.313 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.036 4.973 4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.723 3.771 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.057 3.633 6.042 1.00 0.00 H new ATOM 1214 N PRO A 76 8.490 0.026 5.675 1.00 0.00 N ATOM 1215 CA PRO A 76 8.977 -0.518 6.946 1.00 0.00 C ATOM 1216 C PRO A 76 9.674 0.527 7.811 1.00 0.00 C ATOM 1217 O PRO A 76 10.239 1.497 7.306 1.00 0.00 O ATOM 1218 CB PRO A 76 9.962 -1.605 6.514 1.00 0.00 C ATOM 1219 CG PRO A 76 9.490 -2.021 5.166 1.00 0.00 C ATOM 1220 CD PRO A 76 8.952 -0.775 4.524 1.00 0.00 C ATOM 0 HA PRO A 76 8.159 -0.886 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.983 -1.224 6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.960 -2.443 7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.305 -2.444 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.719 -2.788 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.720 -0.253 3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.137 -0.997 3.835 1.00 0.00 H new ATOM 1228 N VAL A 77 9.616 0.316 9.121 1.00 0.00 N ATOM 1229 CA VAL A 77 10.226 1.226 10.087 1.00 0.00 C ATOM 1230 C VAL A 77 11.678 1.551 9.737 1.00 0.00 C ATOM 1231 O VAL A 77 12.094 2.708 9.801 1.00 0.00 O ATOM 1232 CB VAL A 77 10.177 0.634 11.510 1.00 0.00 C ATOM 1233 CG1 VAL A 77 10.997 -0.646 11.586 1.00 0.00 C ATOM 1234 CG2 VAL A 77 10.664 1.651 12.533 1.00 0.00 C ATOM 0 H VAL A 77 9.148 -0.486 9.543 1.00 0.00 H new ATOM 0 HA VAL A 77 9.645 2.148 10.049 1.00 0.00 H new ATOM 0 HB VAL A 77 9.141 0.389 11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.950 -1.049 12.598 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.595 -1.378 10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 77 12.034 -0.430 11.329 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.621 1.213 13.530 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.692 1.933 12.304 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.028 2.536 12.498 1.00 0.00 H new ATOM 1244 N LYS A 78 12.451 0.526 9.384 1.00 0.00 N ATOM 1245 CA LYS A 78 13.866 0.719 9.042 1.00 0.00 C ATOM 1246 C LYS A 78 14.047 1.892 8.107 1.00 0.00 C ATOM 1247 O LYS A 78 14.766 2.849 8.397 1.00 0.00 O ATOM 1248 CB LYS A 78 14.463 -0.496 8.335 1.00 0.00 C ATOM 1249 CG LYS A 78 13.434 -1.490 7.865 1.00 0.00 C ATOM 1250 CD LYS A 78 13.068 -2.439 8.990 1.00 0.00 C ATOM 1251 CE LYS A 78 11.627 -2.909 8.886 1.00 0.00 C ATOM 1252 NZ LYS A 78 11.240 -3.775 10.034 1.00 0.00 N ATOM 0 H LYS A 78 12.129 -0.440 9.326 1.00 0.00 H new ATOM 0 HA LYS A 78 14.373 0.888 9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.045 -0.157 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.155 -0.996 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.544 -0.966 7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.823 -2.053 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.734 -3.302 8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.220 -1.942 9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.965 -2.044 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.491 -3.459 7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.321 -3.464 10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.168 -4.762 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.960 -3.704 10.781 1.00 0.00 H new ATOM 1266 N ILE A 79 13.403 1.772 6.961 1.00 0.00 N ATOM 1267 CA ILE A 79 13.485 2.772 5.928 1.00 0.00 C ATOM 1268 C ILE A 79 12.276 3.717 5.958 1.00 0.00 C ATOM 1269 O ILE A 79 11.942 4.356 4.961 1.00 0.00 O ATOM 1270 CB ILE A 79 13.656 2.106 4.550 1.00 0.00 C ATOM 1271 CG1 ILE A 79 13.702 3.171 3.437 1.00 0.00 C ATOM 1272 CG2 ILE A 79 12.558 1.068 4.331 1.00 0.00 C ATOM 1273 CD1 ILE A 79 12.499 3.151 2.529 1.00 0.00 C ATOM 0 H ILE A 79 12.810 0.976 6.726 1.00 0.00 H new ATOM 0 HA ILE A 79 14.366 3.386 6.118 1.00 0.00 H new ATOM 0 HB ILE A 79 14.609 1.578 4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.785 4.157 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.600 3.020 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.687 0.602 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.618 0.305 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.584 1.554 4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.602 3.928 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.426 2.178 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.598 3.333 3.115 1.00 0.00 H new ATOM 1285 N LEU A 80 11.637 3.825 7.126 1.00 0.00 N ATOM 1286 CA LEU A 80 10.491 4.721 7.291 1.00 0.00 C ATOM 1287 C LEU A 80 10.832 6.103 6.784 1.00 0.00 C ATOM 1288 O LEU A 80 10.265 6.565 5.794 1.00 0.00 O ATOM 1289 CB LEU A 80 10.065 4.792 8.760 1.00 0.00 C ATOM 1290 CG LEU A 80 8.570 5.020 8.994 1.00 0.00 C ATOM 1291 CD1 LEU A 80 8.044 6.121 8.084 1.00 0.00 C ATOM 1292 CD2 LEU A 80 7.795 3.729 8.773 1.00 0.00 C ATOM 0 H LEU A 80 11.892 3.306 7.966 1.00 0.00 H new ATOM 0 HA LEU A 80 9.659 4.324 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.356 3.864 9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.619 5.596 9.244 1.00 0.00 H new ATOM 0 HG LEU A 80 8.429 5.336 10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.979 6.267 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.578 7.049 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.198 5.837 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.733 3.908 8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.945 3.385 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.150 2.968 9.467 1.00 0.00 H new ATOM 1304 N SER A 81 11.768 6.759 7.451 1.00 0.00 N ATOM 1305 CA SER A 81 12.178 8.091 7.033 1.00 0.00 C ATOM 1306 C SER A 81 13.098 8.781 8.020 1.00 0.00 C ATOM 1307 O SER A 81 12.937 8.678 9.235 1.00 0.00 O ATOM 1308 CB SER A 81 10.955 8.984 6.825 1.00 0.00 C ATOM 1309 OG SER A 81 11.326 10.351 6.767 1.00 0.00 O ATOM 0 H SER A 81 12.253 6.398 8.273 1.00 0.00 H new ATOM 0 HA SER A 81 12.728 7.947 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.448 8.702 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.246 8.830 7.639 1.00 0.00 H new ATOM 0 HG SER A 81 11.152 10.774 7.634 1.00 0.00 H new ATOM 1315 N GLU A 82 14.014 9.554 7.456 1.00 0.00 N ATOM 1316 CA GLU A 82 14.927 10.366 8.231 1.00 0.00 C ATOM 1317 C GLU A 82 14.361 11.786 8.228 1.00 0.00 C ATOM 1318 O GLU A 82 14.588 12.549 7.289 1.00 0.00 O ATOM 1319 CB GLU A 82 16.342 10.338 7.634 1.00 0.00 C ATOM 1320 CG GLU A 82 17.429 10.414 8.692 1.00 0.00 C ATOM 1321 CD GLU A 82 18.436 11.515 8.419 1.00 0.00 C ATOM 1322 OE1 GLU A 82 18.888 11.632 7.261 1.00 0.00 O ATOM 1323 OE2 GLU A 82 18.772 12.259 9.364 1.00 0.00 O ATOM 0 H GLU A 82 14.142 9.633 6.447 1.00 0.00 H new ATOM 0 HA GLU A 82 15.015 9.982 9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.469 9.424 7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.456 11.172 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.970 10.580 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.948 9.457 8.743 1.00 0.00 H new ATOM 1330 N PRO A 83 13.574 12.142 9.265 1.00 0.00 N ATOM 1331 CA PRO A 83 12.917 13.438 9.390 1.00 0.00 C ATOM 1332 C PRO A 83 13.557 14.572 8.597 1.00 0.00 C ATOM 1333 O PRO A 83 14.538 15.185 9.020 1.00 0.00 O ATOM 1334 CB PRO A 83 12.994 13.650 10.889 1.00 0.00 C ATOM 1335 CG PRO A 83 12.659 12.294 11.423 1.00 0.00 C ATOM 1336 CD PRO A 83 13.224 11.296 10.422 1.00 0.00 C ATOM 0 HA PRO A 83 11.911 13.443 8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.986 13.976 11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.287 14.407 11.229 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.095 12.145 12.411 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.581 12.172 11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.096 10.776 10.820 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.492 10.533 10.157 1.00 0.00 H new ATOM 1344 N VAL A 84 12.947 14.850 7.447 1.00 0.00 N ATOM 1345 CA VAL A 84 13.381 15.922 6.558 1.00 0.00 C ATOM 1346 C VAL A 84 12.576 17.182 6.859 1.00 0.00 C ATOM 1347 O VAL A 84 13.111 18.289 6.916 1.00 0.00 O ATOM 1348 CB VAL A 84 13.174 15.556 5.072 1.00 0.00 C ATOM 1349 CG1 VAL A 84 14.354 14.753 4.553 1.00 0.00 C ATOM 1350 CG2 VAL A 84 11.863 14.800 4.866 1.00 0.00 C ATOM 0 H VAL A 84 12.135 14.336 7.105 1.00 0.00 H new ATOM 0 HA VAL A 84 14.445 16.084 6.730 1.00 0.00 H new ATOM 0 HB VAL A 84 13.112 16.482 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.191 14.504 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.266 15.343 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.453 13.835 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.746 14.556 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.877 13.881 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.029 15.423 5.189 1.00 0.00 H new ATOM 1360 N ASN A 85 11.273 16.980 7.057 1.00 0.00 N ATOM 1361 CA ASN A 85 10.338 18.058 7.362 1.00 0.00 C ATOM 1362 C ASN A 85 9.032 17.471 7.905 1.00 0.00 C ATOM 1363 O ASN A 85 9.026 16.368 8.451 1.00 0.00 O ATOM 1364 CB ASN A 85 10.076 18.903 6.111 1.00 0.00 C ATOM 1365 CG ASN A 85 10.190 20.390 6.385 1.00 0.00 C ATOM 1366 OD1 ASN A 85 9.185 21.090 6.506 1.00 0.00 O ATOM 1367 ND2 ASN A 85 11.420 20.881 6.484 1.00 0.00 N ATOM 0 H ASN A 85 10.837 16.059 7.010 1.00 0.00 H new ATOM 0 HA ASN A 85 10.773 18.706 8.123 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.786 18.624 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.080 18.682 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.559 21.875 6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.225 20.264 6.377 1.00 0.00 H new ATOM 1374 N GLU A 86 7.928 18.199 7.750 1.00 0.00 N ATOM 1375 CA GLU A 86 6.632 17.729 8.222 1.00 0.00 C ATOM 1376 C GLU A 86 5.520 18.505 7.535 1.00 0.00 C ATOM 1377 O GLU A 86 5.592 19.729 7.424 1.00 0.00 O ATOM 1378 CB GLU A 86 6.525 17.888 9.740 1.00 0.00 C ATOM 1379 CG GLU A 86 6.846 19.291 10.229 1.00 0.00 C ATOM 1380 CD GLU A 86 8.338 19.550 10.318 1.00 0.00 C ATOM 1381 OE1 GLU A 86 8.999 18.922 11.171 1.00 0.00 O ATOM 1382 OE2 GLU A 86 8.844 20.380 9.534 1.00 0.00 O ATOM 0 H GLU A 86 7.907 19.115 7.302 1.00 0.00 H new ATOM 0 HA GLU A 86 6.533 16.671 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.515 17.625 10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.202 17.181 10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.394 20.019 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.396 19.442 11.210 1.00 0.00 H new ATOM 1389 N LEU A 87 4.495 17.801 7.064 1.00 0.00 N ATOM 1390 CA LEU A 87 3.394 18.472 6.384 1.00 0.00 C ATOM 1391 C LEU A 87 2.028 18.134 6.977 1.00 0.00 C ATOM 1392 O LEU A 87 1.169 17.535 6.330 1.00 0.00 O ATOM 1393 CB LEU A 87 3.391 18.190 4.896 1.00 0.00 C ATOM 1394 CG LEU A 87 4.072 16.901 4.454 1.00 0.00 C ATOM 1395 CD1 LEU A 87 3.553 15.729 5.280 1.00 0.00 C ATOM 1396 CD2 LEU A 87 3.838 16.689 2.964 1.00 0.00 C ATOM 0 H LEU A 87 4.404 16.788 7.138 1.00 0.00 H new ATOM 0 HA LEU A 87 3.567 19.537 6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.356 18.165 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.875 19.024 4.388 1.00 0.00 H new ATOM 0 HG LEU A 87 5.147 16.971 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.045 14.811 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.766 15.904 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.476 15.633 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.325 15.767 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.768 16.619 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.254 17.529 2.407 1.00 0.00 H new ATOM 1408 N SER A 88 1.847 18.573 8.198 1.00 0.00 N ATOM 1409 CA SER A 88 0.595 18.400 8.937 1.00 0.00 C ATOM 1410 C SER A 88 -0.477 19.281 8.346 1.00 0.00 C ATOM 1411 O SER A 88 -1.635 18.899 8.286 1.00 0.00 O ATOM 1412 CB SER A 88 0.779 18.724 10.416 1.00 0.00 C ATOM 1413 OG SER A 88 1.799 17.927 10.993 1.00 0.00 O ATOM 0 H SER A 88 2.567 19.068 8.724 1.00 0.00 H new ATOM 0 HA SER A 88 0.293 17.356 8.854 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.029 19.779 10.531 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.159 18.559 10.946 1.00 0.00 H new ATOM 0 HG SER A 88 1.897 18.156 11.941 1.00 0.00 H new ATOM 1419 N THR A 89 -0.081 20.452 7.878 1.00 0.00 N ATOM 1420 CA THR A 89 -1.020 21.365 7.248 1.00 0.00 C ATOM 1421 C THR A 89 -1.693 20.650 6.091 1.00 0.00 C ATOM 1422 O THR A 89 -2.810 20.976 5.689 1.00 0.00 O ATOM 1423 CB THR A 89 -0.276 22.585 6.731 1.00 0.00 C ATOM 1424 OG1 THR A 89 0.779 22.193 5.858 1.00 0.00 O ATOM 1425 CG2 THR A 89 0.320 23.412 7.846 1.00 0.00 C ATOM 0 H THR A 89 0.880 20.792 7.922 1.00 0.00 H new ATOM 0 HA THR A 89 -1.769 21.686 7.972 1.00 0.00 H new ATOM 0 HB THR A 89 -1.012 23.190 6.201 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.247 22.990 5.532 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.840 24.271 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.475 23.758 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.025 22.804 8.413 1.00 0.00 H new ATOM 1433 N PHE A 90 -0.982 19.656 5.577 1.00 0.00 N ATOM 1434 CA PHE A 90 -1.456 18.846 4.475 1.00 0.00 C ATOM 1435 C PHE A 90 -2.144 17.585 4.999 1.00 0.00 C ATOM 1436 O PHE A 90 -2.474 16.681 4.233 1.00 0.00 O ATOM 1437 CB PHE A 90 -0.263 18.462 3.616 1.00 0.00 C ATOM 1438 CG PHE A 90 0.106 19.478 2.580 1.00 0.00 C ATOM 1439 CD1 PHE A 90 -0.668 19.662 1.446 1.00 0.00 C ATOM 1440 CD2 PHE A 90 1.251 20.239 2.736 1.00 0.00 C ATOM 1441 CE1 PHE A 90 -0.298 20.588 0.488 1.00 0.00 C ATOM 1442 CE2 PHE A 90 1.617 21.158 1.796 1.00 0.00 C ATOM 1443 CZ PHE A 90 0.848 21.337 0.669 1.00 0.00 C ATOM 0 H PHE A 90 -0.057 19.392 5.917 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.179 19.411 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.597 18.293 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.478 17.516 3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.566 19.078 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.864 20.104 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.902 20.725 -0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.512 21.746 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.141 22.064 -0.074 1.00 0.00 H new ATOM 1453 N ARG A 91 -2.339 17.534 6.318 1.00 0.00 N ATOM 1454 CA ARG A 91 -2.961 16.388 6.977 1.00 0.00 C ATOM 1455 C ARG A 91 -4.151 15.854 6.195 1.00 0.00 C ATOM 1456 O ARG A 91 -4.224 14.656 5.926 1.00 0.00 O ATOM 1457 CB ARG A 91 -3.404 16.757 8.384 1.00 0.00 C ATOM 1458 CG ARG A 91 -4.067 18.095 8.406 1.00 0.00 C ATOM 1459 CD ARG A 91 -3.901 18.810 9.740 1.00 0.00 C ATOM 1460 NE ARG A 91 -5.184 19.218 10.307 1.00 0.00 N ATOM 1461 CZ ARG A 91 -5.880 20.270 9.884 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -5.422 21.022 8.890 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -7.038 20.572 10.455 1.00 0.00 N ATOM 0 H ARG A 91 -2.071 18.284 6.956 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.207 15.602 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.092 16.001 8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.541 16.764 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.652 18.715 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.129 17.973 8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.387 18.153 10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.269 19.688 9.604 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.569 18.664 11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.532 20.794 8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.960 21.827 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.395 19.998 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.572 21.379 10.131 1.00 0.00 H new ATOM 1477 N ASN A 92 -5.086 16.727 5.815 1.00 0.00 N ATOM 1478 CA ASN A 92 -6.239 16.262 5.056 1.00 0.00 C ATOM 1479 C ASN A 92 -5.767 15.502 3.835 1.00 0.00 C ATOM 1480 O ASN A 92 -6.164 14.368 3.616 1.00 0.00 O ATOM 1481 CB ASN A 92 -7.152 17.390 4.602 1.00 0.00 C ATOM 1482 CG ASN A 92 -8.534 17.294 5.216 1.00 0.00 C ATOM 1483 OD1 ASN A 92 -8.836 17.953 6.211 1.00 0.00 O ATOM 1484 ND2 ASN A 92 -9.380 16.463 4.615 1.00 0.00 N ATOM 0 H ASN A 92 -5.068 17.727 6.014 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.815 15.622 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.704 18.347 4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.237 17.370 3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.327 16.350 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.082 15.939 3.792 1.00 0.00 H new ATOM 1491 N GLU A 93 -4.890 16.130 3.048 1.00 0.00 N ATOM 1492 CA GLU A 93 -4.345 15.480 1.863 1.00 0.00 C ATOM 1493 C GLU A 93 -4.028 14.048 2.202 1.00 0.00 C ATOM 1494 O GLU A 93 -4.439 13.113 1.517 1.00 0.00 O ATOM 1495 CB GLU A 93 -3.049 16.149 1.419 1.00 0.00 C ATOM 1496 CG GLU A 93 -3.063 16.618 -0.027 1.00 0.00 C ATOM 1497 CD GLU A 93 -3.472 18.071 -0.164 1.00 0.00 C ATOM 1498 OE1 GLU A 93 -4.604 18.410 0.243 1.00 0.00 O ATOM 1499 OE2 GLU A 93 -2.662 18.870 -0.677 1.00 0.00 O ATOM 0 H GLU A 93 -4.548 17.077 3.210 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.081 15.551 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.852 17.004 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.225 15.449 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.072 16.481 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.750 15.995 -0.601 1.00 0.00 H new ATOM 1506 N ILE A 94 -3.292 13.906 3.292 1.00 0.00 N ATOM 1507 CA ILE A 94 -2.896 12.614 3.775 1.00 0.00 C ATOM 1508 C ILE A 94 -4.136 11.799 4.132 1.00 0.00 C ATOM 1509 O ILE A 94 -4.217 10.604 3.852 1.00 0.00 O ATOM 1510 CB ILE A 94 -1.974 12.739 5.008 1.00 0.00 C ATOM 1511 CG1 ILE A 94 -0.579 13.217 4.596 1.00 0.00 C ATOM 1512 CG2 ILE A 94 -1.879 11.415 5.753 1.00 0.00 C ATOM 1513 CD1 ILE A 94 -0.557 14.563 3.906 1.00 0.00 C ATOM 0 H ILE A 94 -2.958 14.686 3.858 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.339 12.107 2.987 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.411 13.479 5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.051 13.267 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.136 12.475 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.224 11.530 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.872 11.114 6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.473 10.652 5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.470 14.824 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.157 14.516 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.968 15.321 4.573 1.00 0.00 H new ATOM 1525 N ILE A 95 -5.111 12.474 4.740 1.00 0.00 N ATOM 1526 CA ILE A 95 -6.365 11.840 5.120 1.00 0.00 C ATOM 1527 C ILE A 95 -7.205 11.566 3.878 1.00 0.00 C ATOM 1528 O ILE A 95 -7.464 10.409 3.546 1.00 0.00 O ATOM 1529 CB ILE A 95 -7.169 12.712 6.109 1.00 0.00 C ATOM 1530 CG1 ILE A 95 -6.382 12.907 7.407 1.00 0.00 C ATOM 1531 CG2 ILE A 95 -8.527 12.084 6.400 1.00 0.00 C ATOM 1532 CD1 ILE A 95 -6.194 11.631 8.199 1.00 0.00 C ATOM 0 H ILE A 95 -5.052 13.464 4.979 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.124 10.901 5.618 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.334 13.687 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.404 13.325 7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.899 13.638 8.029 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.077 12.714 7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.092 11.992 5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.385 11.096 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.628 11.845 9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.168 11.223 8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.650 10.905 7.595 1.00 0.00 H new ATOM 1544 N ALA A 96 -7.614 12.628 3.173 1.00 0.00 N ATOM 1545 CA ALA A 96 -8.399 12.456 1.956 1.00 0.00 C ATOM 1546 C ALA A 96 -7.727 11.440 1.030 1.00 0.00 C ATOM 1547 O ALA A 96 -8.396 10.763 0.252 1.00 0.00 O ATOM 1548 CB ALA A 96 -8.596 13.793 1.257 1.00 0.00 C ATOM 0 H ALA A 96 -7.416 13.597 3.423 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.383 12.070 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.184 13.647 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.121 14.478 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.625 14.214 0.996 1.00 0.00 H new ATOM 1554 N ALA A 97 -6.402 11.305 1.153 1.00 0.00 N ATOM 1555 CA ALA A 97 -5.649 10.328 0.364 1.00 0.00 C ATOM 1556 C ALA A 97 -6.323 8.985 0.458 1.00 0.00 C ATOM 1557 O ALA A 97 -6.979 8.526 -0.468 1.00 0.00 O ATOM 1558 CB ALA A 97 -4.230 10.209 0.898 1.00 0.00 C ATOM 0 H ALA A 97 -5.831 11.860 1.791 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.618 10.658 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.678 9.480 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.735 11.178 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.259 9.883 1.938 1.00 0.00 H new ATOM 1564 N ILE A 98 -6.173 8.383 1.613 1.00 0.00 N ATOM 1565 CA ILE A 98 -6.760 7.109 1.906 1.00 0.00 C ATOM 1566 C ILE A 98 -8.235 7.105 1.522 1.00 0.00 C ATOM 1567 O ILE A 98 -8.731 6.224 0.827 1.00 0.00 O ATOM 1568 CB ILE A 98 -6.662 6.889 3.426 1.00 0.00 C ATOM 1569 CG1 ILE A 98 -5.322 6.270 3.819 1.00 0.00 C ATOM 1570 CG2 ILE A 98 -7.813 6.035 3.949 1.00 0.00 C ATOM 1571 CD1 ILE A 98 -4.134 7.129 3.469 1.00 0.00 C ATOM 0 H ILE A 98 -5.631 8.775 2.383 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.241 6.329 1.349 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.733 7.873 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.320 6.081 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.219 5.304 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.708 5.903 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.760 6.530 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.795 5.061 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.218 6.626 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.111 7.297 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.213 8.086 3.984 1.00 0.00 H new ATOM 1583 N ASP A 99 -8.912 8.103 2.051 1.00 0.00 N ATOM 1584 CA ASP A 99 -10.339 8.292 1.880 1.00 0.00 C ATOM 1585 C ASP A 99 -10.777 8.467 0.423 1.00 0.00 C ATOM 1586 O ASP A 99 -11.925 8.196 0.087 1.00 0.00 O ATOM 1587 CB ASP A 99 -10.743 9.492 2.723 1.00 0.00 C ATOM 1588 CG ASP A 99 -12.025 9.255 3.497 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -12.874 8.476 3.015 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -12.181 9.849 4.585 1.00 0.00 O ATOM 0 H ASP A 99 -8.475 8.823 2.626 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.847 7.385 2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.940 9.728 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.869 10.360 2.076 1.00 0.00 H new ATOM 1595 N PHE A 100 -9.877 8.905 -0.441 1.00 0.00 N ATOM 1596 CA PHE A 100 -10.206 9.086 -1.852 1.00 0.00 C ATOM 1597 C PHE A 100 -9.602 7.954 -2.658 1.00 0.00 C ATOM 1598 O PHE A 100 -10.257 7.309 -3.477 1.00 0.00 O ATOM 1599 CB PHE A 100 -9.680 10.434 -2.355 1.00 0.00 C ATOM 1600 CG PHE A 100 -9.931 10.673 -3.817 1.00 0.00 C ATOM 1601 CD1 PHE A 100 -11.218 10.626 -4.330 1.00 0.00 C ATOM 1602 CD2 PHE A 100 -8.880 10.945 -4.679 1.00 0.00 C ATOM 1603 CE1 PHE A 100 -11.452 10.845 -5.674 1.00 0.00 C ATOM 1604 CE2 PHE A 100 -9.108 11.165 -6.024 1.00 0.00 C ATOM 1605 CZ PHE A 100 -10.396 11.115 -6.522 1.00 0.00 C ATOM 0 H PHE A 100 -8.916 9.142 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 100 -11.289 9.076 -1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -10.147 11.234 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.608 10.489 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -12.048 10.416 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.871 10.985 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.460 10.805 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.281 11.376 -6.685 1.00 0.00 H new ATOM 0 HZ PHE A 100 -10.577 11.287 -7.573 1.00 0.00 H new ATOM 1615 N LEU A 101 -8.331 7.741 -2.391 1.00 0.00 N ATOM 1616 CA LEU A 101 -7.537 6.715 -3.033 1.00 0.00 C ATOM 1617 C LEU A 101 -8.036 5.326 -2.671 1.00 0.00 C ATOM 1618 O LEU A 101 -8.073 4.425 -3.509 1.00 0.00 O ATOM 1619 CB LEU A 101 -6.085 6.892 -2.571 1.00 0.00 C ATOM 1620 CG LEU A 101 -5.438 5.692 -1.860 1.00 0.00 C ATOM 1621 CD1 LEU A 101 -4.563 4.890 -2.809 1.00 0.00 C ATOM 1622 CD2 LEU A 101 -4.644 6.153 -0.638 1.00 0.00 C ATOM 0 H LEU A 101 -7.810 8.288 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.614 6.814 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.478 7.140 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.043 7.749 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.238 5.035 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.121 4.049 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.169 4.517 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.770 5.528 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.194 5.289 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.859 6.841 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.311 6.658 0.060 1.00 0.00 H new ATOM 1634 N ILE A 102 -8.372 5.149 -1.400 1.00 0.00 N ATOM 1635 CA ILE A 102 -8.812 3.858 -0.912 1.00 0.00 C ATOM 1636 C ILE A 102 -10.332 3.749 -0.853 1.00 0.00 C ATOM 1637 O ILE A 102 -10.878 2.650 -0.951 1.00 0.00 O ATOM 1638 CB ILE A 102 -8.222 3.564 0.482 1.00 0.00 C ATOM 1639 CG1 ILE A 102 -6.744 3.979 0.530 1.00 0.00 C ATOM 1640 CG2 ILE A 102 -8.378 2.088 0.816 1.00 0.00 C ATOM 1641 CD1 ILE A 102 -6.061 3.652 1.841 1.00 0.00 C ATOM 0 H ILE A 102 -8.347 5.884 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.447 3.118 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.766 4.145 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.210 3.483 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.671 5.052 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -7.958 1.892 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.436 1.824 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.852 1.489 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.021 3.974 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.569 4.169 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.101 2.577 2.014 1.00 0.00 H new ATOM 1653 N THR A 103 -11.024 4.879 -0.690 1.00 0.00 N ATOM 1654 CA THR A 103 -12.487 4.845 -0.620 1.00 0.00 C ATOM 1655 C THR A 103 -13.120 5.689 -1.723 1.00 0.00 C ATOM 1656 O THR A 103 -14.121 5.291 -2.319 1.00 0.00 O ATOM 1657 CB THR A 103 -12.990 5.298 0.761 1.00 0.00 C ATOM 1658 OG1 THR A 103 -13.491 6.623 0.718 1.00 0.00 O ATOM 1659 CG2 THR A 103 -11.933 5.244 1.846 1.00 0.00 C ATOM 0 H THR A 103 -10.609 5.807 -0.606 1.00 0.00 H new ATOM 0 HA THR A 103 -12.792 3.810 -0.772 1.00 0.00 H new ATOM 0 HB THR A 103 -13.778 4.588 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.749 7.249 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.363 5.578 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.573 4.221 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.101 5.894 1.576 1.00 0.00 H new ATOM 1667 N GLY A 104 -12.539 6.852 -1.992 1.00 0.00 N ATOM 1668 CA GLY A 104 -13.074 7.720 -3.025 1.00 0.00 C ATOM 1669 C GLY A 104 -14.076 8.721 -2.484 1.00 0.00 C ATOM 1670 O GLY A 104 -14.043 9.897 -2.844 1.00 0.00 O ATOM 0 H GLY A 104 -11.711 7.209 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.255 8.255 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.552 7.112 -3.794 1.00 0.00 H new ATOM 1674 N ILE A 105 -14.971 8.254 -1.617 1.00 0.00 N ATOM 1675 CA ILE A 105 -15.985 9.118 -1.027 1.00 0.00 C ATOM 1676 C ILE A 105 -16.929 9.664 -2.094 1.00 0.00 C ATOM 1677 O ILE A 105 -18.027 9.091 -2.261 1.00 0.00 O ATOM 1678 CB ILE A 105 -15.340 10.287 -0.260 1.00 0.00 C ATOM 1679 CG1 ILE A 105 -14.568 9.750 0.941 1.00 0.00 C ATOM 1680 CG2 ILE A 105 -16.394 11.290 0.191 1.00 0.00 C ATOM 1681 CD1 ILE A 105 -13.760 10.807 1.649 1.00 0.00 C ATOM 1682 OXT ILE A 105 -16.564 10.661 -2.753 1.00 0.00 O ATOM 0 H ILE A 105 -15.013 7.283 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 105 -16.559 8.512 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.650 10.803 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -15.270 9.305 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.901 8.954 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -15.913 12.106 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -16.914 11.688 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -17.111 10.795 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -13.235 10.359 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.035 11.235 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -14.425 11.592 2.010 1.00 0.00 H new ATOM 1695 N MET B 1 -13.658 -5.584 -12.674 1.00 0.00 N ATOM 1696 CA MET B 1 -12.570 -5.595 -13.689 1.00 0.00 C ATOM 1697 C MET B 1 -11.231 -5.974 -13.063 1.00 0.00 C ATOM 1698 O MET B 1 -10.552 -6.887 -13.534 1.00 0.00 O ATOM 1699 CB MET B 1 -12.482 -4.208 -14.331 1.00 0.00 C ATOM 1700 CG MET B 1 -12.519 -3.064 -13.330 1.00 0.00 C ATOM 1701 SD MET B 1 -12.941 -1.486 -14.094 1.00 0.00 S ATOM 1702 CE MET B 1 -14.473 -1.101 -13.251 1.00 0.00 C ATOM 0 H1 MET B 1 -14.418 -4.947 -12.987 1.00 0.00 H new ATOM 0 H2 MET B 1 -14.036 -6.546 -12.560 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.280 -5.251 -11.764 1.00 0.00 H new ATOM 0 HA MET B 1 -12.800 -6.344 -14.447 1.00 0.00 H new ATOM 0 HB2 MET B 1 -11.560 -4.143 -14.908 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.307 -4.090 -15.034 1.00 0.00 H new ATOM 0 HG2 MET B 1 -13.246 -3.292 -12.550 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.547 -2.980 -12.844 1.00 0.00 H new ATOM 0 HE1 MET B 1 -14.860 -0.150 -13.616 1.00 0.00 H new ATOM 0 HE2 MET B 1 -15.202 -1.888 -13.444 1.00 0.00 H new ATOM 0 HE3 MET B 1 -14.291 -1.031 -12.179 1.00 0.00 H new ATOM 1714 N SER B 2 -10.855 -5.270 -12.000 1.00 0.00 N ATOM 1715 CA SER B 2 -9.596 -5.536 -11.313 1.00 0.00 C ATOM 1716 C SER B 2 -9.816 -5.673 -9.810 1.00 0.00 C ATOM 1717 O SER B 2 -9.407 -4.807 -9.038 1.00 0.00 O ATOM 1718 CB SER B 2 -8.588 -4.410 -11.595 1.00 0.00 C ATOM 1719 OG SER B 2 -7.534 -4.873 -12.419 1.00 0.00 O ATOM 0 H SER B 2 -11.404 -4.511 -11.596 1.00 0.00 H new ATOM 0 HA SER B 2 -9.195 -6.477 -11.690 1.00 0.00 H new ATOM 0 HB2 SER B 2 -9.095 -3.575 -12.080 1.00 0.00 H new ATOM 0 HB3 SER B 2 -8.183 -4.035 -10.655 1.00 0.00 H new ATOM 0 HG SER B 2 -7.892 -5.484 -13.096 1.00 0.00 H new ATOM 1725 N GLN B 3 -10.467 -6.757 -9.384 1.00 0.00 N ATOM 1726 CA GLN B 3 -10.721 -6.947 -7.959 1.00 0.00 C ATOM 1727 C GLN B 3 -11.430 -8.265 -7.641 1.00 0.00 C ATOM 1728 O GLN B 3 -12.145 -8.827 -8.470 1.00 0.00 O ATOM 1729 CB GLN B 3 -11.569 -5.786 -7.433 1.00 0.00 C ATOM 1730 CG GLN B 3 -11.157 -5.301 -6.056 1.00 0.00 C ATOM 1731 CD GLN B 3 -12.118 -4.276 -5.486 1.00 0.00 C ATOM 1732 OE1 GLN B 3 -12.569 -4.396 -4.347 1.00 0.00 O ATOM 1733 NE2 GLN B 3 -12.438 -3.260 -6.279 1.00 0.00 N ATOM 0 H GLN B 3 -10.819 -7.498 -9.989 1.00 0.00 H new ATOM 0 HA GLN B 3 -9.748 -6.978 -7.469 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -11.505 -4.955 -8.135 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -12.613 -6.097 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -11.096 -6.153 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -10.159 -4.866 -6.112 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -12.040 -3.200 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -13.081 -2.540 -5.951 1.00 0.00 H new ATOM 1742 N PHE B 4 -11.247 -8.707 -6.397 1.00 0.00 N ATOM 1743 CA PHE B 4 -11.879 -9.917 -5.870 1.00 0.00 C ATOM 1744 C PHE B 4 -11.362 -11.214 -6.489 1.00 0.00 C ATOM 1745 O PHE B 4 -12.095 -12.200 -6.566 1.00 0.00 O ATOM 1746 CB PHE B 4 -13.397 -9.822 -6.015 1.00 0.00 C ATOM 1747 CG PHE B 4 -14.035 -8.954 -4.963 1.00 0.00 C ATOM 1748 CD1 PHE B 4 -13.300 -7.967 -4.319 1.00 0.00 C ATOM 1749 CD2 PHE B 4 -15.365 -9.125 -4.618 1.00 0.00 C ATOM 1750 CE1 PHE B 4 -13.879 -7.168 -3.355 1.00 0.00 C ATOM 1751 CE2 PHE B 4 -15.951 -8.328 -3.652 1.00 0.00 C ATOM 1752 CZ PHE B 4 -15.207 -7.348 -3.020 1.00 0.00 C ATOM 0 H PHE B 4 -10.650 -8.231 -5.720 1.00 0.00 H new ATOM 0 HA PHE B 4 -11.606 -9.966 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -13.638 -9.425 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -13.825 -10.823 -5.961 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -12.261 -7.823 -4.576 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -15.951 -9.889 -5.108 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -13.295 -6.404 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -16.989 -8.471 -3.391 1.00 0.00 H new ATOM 0 HZ PHE B 4 -15.664 -6.724 -2.266 1.00 0.00 H new ATOM 1762 N THR B 5 -10.096 -11.236 -6.884 1.00 0.00 N ATOM 1763 CA THR B 5 -9.502 -12.438 -7.435 1.00 0.00 C ATOM 1764 C THR B 5 -8.323 -12.859 -6.575 1.00 0.00 C ATOM 1765 O THR B 5 -7.718 -12.035 -5.890 1.00 0.00 O ATOM 1766 CB THR B 5 -9.021 -12.208 -8.862 1.00 0.00 C ATOM 1767 OG1 THR B 5 -9.765 -11.179 -9.489 1.00 0.00 O ATOM 1768 CG2 THR B 5 -9.104 -13.441 -9.736 1.00 0.00 C ATOM 0 H THR B 5 -9.466 -10.436 -6.832 1.00 0.00 H new ATOM 0 HA THR B 5 -10.261 -13.220 -7.446 1.00 0.00 H new ATOM 0 HB THR B 5 -7.972 -11.928 -8.764 1.00 0.00 H new ATOM 0 HG1 THR B 5 -9.294 -10.326 -9.386 1.00 0.00 H new ATOM 0 HG21 THR B 5 -8.745 -13.202 -10.737 1.00 0.00 H new ATOM 0 HG22 THR B 5 -8.488 -14.232 -9.309 1.00 0.00 H new ATOM 0 HG23 THR B 5 -10.139 -13.778 -9.792 1.00 0.00 H new ATOM 1776 N LEU B 6 -7.986 -14.131 -6.630 1.00 0.00 N ATOM 1777 CA LEU B 6 -6.859 -14.645 -5.876 1.00 0.00 C ATOM 1778 C LEU B 6 -5.623 -14.585 -6.741 1.00 0.00 C ATOM 1779 O LEU B 6 -5.198 -15.592 -7.308 1.00 0.00 O ATOM 1780 CB LEU B 6 -7.120 -16.084 -5.430 1.00 0.00 C ATOM 1781 CG LEU B 6 -6.144 -16.627 -4.387 1.00 0.00 C ATOM 1782 CD1 LEU B 6 -6.727 -17.856 -3.712 1.00 0.00 C ATOM 1783 CD2 LEU B 6 -4.804 -16.955 -5.027 1.00 0.00 C ATOM 0 H LEU B 6 -8.476 -14.829 -7.189 1.00 0.00 H new ATOM 0 HA LEU B 6 -6.715 -14.036 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -8.130 -16.145 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -7.088 -16.731 -6.307 1.00 0.00 H new ATOM 0 HG LEU B 6 -5.982 -15.859 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -6.022 -18.233 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -7.663 -17.591 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -6.915 -18.627 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -4.123 -17.340 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -4.946 -17.707 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -4.382 -16.053 -5.469 1.00 0.00 H new ATOM 1795 N TYR B 7 -5.062 -13.393 -6.874 1.00 0.00 N ATOM 1796 CA TYR B 7 -3.895 -13.229 -7.711 1.00 0.00 C ATOM 1797 C TYR B 7 -2.631 -13.671 -7.009 1.00 0.00 C ATOM 1798 O TYR B 7 -2.274 -13.144 -5.960 1.00 0.00 O ATOM 1799 CB TYR B 7 -3.754 -11.771 -8.172 1.00 0.00 C ATOM 1800 CG TYR B 7 -5.020 -11.111 -8.677 1.00 0.00 C ATOM 1801 CD1 TYR B 7 -6.050 -10.744 -7.810 1.00 0.00 C ATOM 1802 CD2 TYR B 7 -5.157 -10.801 -10.025 1.00 0.00 C ATOM 1803 CE1 TYR B 7 -7.173 -10.090 -8.282 1.00 0.00 C ATOM 1804 CE2 TYR B 7 -6.283 -10.158 -10.502 1.00 0.00 C ATOM 1805 CZ TYR B 7 -7.286 -9.803 -9.628 1.00 0.00 C ATOM 1806 OH TYR B 7 -8.403 -9.150 -10.099 1.00 0.00 O ATOM 0 H TYR B 7 -5.392 -12.542 -6.420 1.00 0.00 H new ATOM 0 HA TYR B 7 -4.036 -13.867 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -3.368 -11.183 -7.339 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -3.006 -11.731 -8.964 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -5.969 -10.974 -6.758 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -4.368 -11.068 -10.713 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -7.960 -9.804 -7.600 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -6.376 -9.935 -11.555 1.00 0.00 H new ATOM 0 HH TYR B 7 -8.189 -8.206 -10.255 1.00 0.00 H new ATOM 1816 N LYS B 8 -1.944 -14.631 -7.632 1.00 0.00 N ATOM 1817 CA LYS B 8 -0.693 -15.154 -7.104 1.00 0.00 C ATOM 1818 C LYS B 8 0.493 -14.725 -7.940 1.00 0.00 C ATOM 1819 O LYS B 8 0.664 -15.183 -9.065 1.00 0.00 O ATOM 1820 CB LYS B 8 -0.721 -16.672 -7.045 1.00 0.00 C ATOM 1821 CG LYS B 8 0.665 -17.300 -6.945 1.00 0.00 C ATOM 1822 CD LYS B 8 0.809 -18.144 -5.689 1.00 0.00 C ATOM 1823 CE LYS B 8 1.892 -19.200 -5.850 1.00 0.00 C ATOM 1824 NZ LYS B 8 2.077 -19.999 -4.607 1.00 0.00 N ATOM 0 H LYS B 8 -2.240 -15.061 -8.508 1.00 0.00 H new ATOM 0 HA LYS B 8 -0.585 -14.746 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -1.316 -16.984 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -1.221 -17.054 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS B 8 0.848 -17.919 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS B 8 1.421 -16.515 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS B 8 1.049 -17.501 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -0.141 -18.627 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS B 8 1.631 -19.865 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS B 8 2.833 -18.718 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 3.092 -20.144 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 1.659 -19.490 -3.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 1.609 -20.922 -4.714 1.00 0.00 H new ATOM 1838 N ASN B 9 1.323 -13.887 -7.338 1.00 0.00 N ATOM 1839 CA ASN B 9 2.549 -13.387 -7.940 1.00 0.00 C ATOM 1840 C ASN B 9 2.666 -13.702 -9.438 1.00 0.00 C ATOM 1841 O ASN B 9 2.778 -14.863 -9.826 1.00 0.00 O ATOM 1842 CB ASN B 9 3.741 -13.999 -7.202 1.00 0.00 C ATOM 1843 CG ASN B 9 3.736 -15.509 -7.297 1.00 0.00 C ATOM 1844 OD1 ASN B 9 3.074 -16.087 -8.153 1.00 0.00 O ATOM 1845 ND2 ASN B 9 4.458 -16.156 -6.405 1.00 0.00 N ATOM 0 H ASN B 9 1.159 -13.528 -6.397 1.00 0.00 H new ATOM 0 HA ASN B 9 2.535 -12.301 -7.849 1.00 0.00 H new ATOM 0 HB2 ASN B 9 4.669 -13.610 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.715 -13.699 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.481 -17.176 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN B 9 4.994 -15.637 -5.710 1.00 0.00 H new ATOM 1852 N LYS B 10 2.660 -12.661 -10.280 1.00 0.00 N ATOM 1853 CA LYS B 10 2.792 -12.832 -11.747 1.00 0.00 C ATOM 1854 C LYS B 10 3.776 -13.941 -12.054 1.00 0.00 C ATOM 1855 O LYS B 10 3.719 -14.596 -13.095 1.00 0.00 O ATOM 1856 CB LYS B 10 3.298 -11.563 -12.409 1.00 0.00 C ATOM 1857 CG LYS B 10 3.770 -10.558 -11.411 1.00 0.00 C ATOM 1858 CD LYS B 10 4.840 -11.135 -10.498 1.00 0.00 C ATOM 1859 CE LYS B 10 4.619 -10.762 -9.039 1.00 0.00 C ATOM 1860 NZ LYS B 10 5.875 -10.305 -8.384 1.00 0.00 N ATOM 0 H LYS B 10 2.566 -11.691 -9.979 1.00 0.00 H new ATOM 0 HA LYS B 10 1.803 -13.074 -12.135 1.00 0.00 H new ATOM 0 HB2 LYS B 10 4.114 -11.810 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS B 10 2.502 -11.127 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS B 10 4.167 -9.686 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS B 10 2.926 -10.215 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS B 10 4.850 -12.221 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.819 -10.777 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS B 10 3.869 -9.973 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS B 10 4.222 -11.623 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 5.642 -9.697 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 6.415 -11.131 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 6.447 -9.767 -9.066 1.00 0.00 H new ATOM 1874 N ASP B 11 4.693 -14.108 -11.121 1.00 0.00 N ATOM 1875 CA ASP B 11 5.732 -15.073 -11.212 1.00 0.00 C ATOM 1876 C ASP B 11 5.661 -16.012 -10.003 1.00 0.00 C ATOM 1877 O ASP B 11 6.170 -15.693 -8.929 1.00 0.00 O ATOM 1878 CB ASP B 11 7.053 -14.302 -11.264 1.00 0.00 C ATOM 1879 CG ASP B 11 7.890 -14.662 -12.477 1.00 0.00 C ATOM 1880 OD1 ASP B 11 8.598 -15.689 -12.426 1.00 0.00 O ATOM 1881 OD2 ASP B 11 7.836 -13.916 -13.477 1.00 0.00 O ATOM 0 H ASP B 11 4.723 -13.555 -10.264 1.00 0.00 H new ATOM 0 HA ASP B 11 5.639 -15.694 -12.103 1.00 0.00 H new ATOM 0 HB2 ASP B 11 6.845 -13.232 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP B 11 7.625 -14.506 -10.359 1.00 0.00 H new ATOM 1886 N LYS B 12 4.998 -17.158 -10.182 1.00 0.00 N ATOM 1887 CA LYS B 12 4.822 -18.136 -9.102 1.00 0.00 C ATOM 1888 C LYS B 12 6.128 -18.402 -8.348 1.00 0.00 C ATOM 1889 O LYS B 12 6.103 -18.833 -7.196 1.00 0.00 O ATOM 1890 CB LYS B 12 4.231 -19.441 -9.655 1.00 0.00 C ATOM 1891 CG LYS B 12 2.806 -19.289 -10.195 1.00 0.00 C ATOM 1892 CD LYS B 12 2.799 -19.155 -11.710 1.00 0.00 C ATOM 1893 CE LYS B 12 2.403 -20.460 -12.383 1.00 0.00 C ATOM 1894 NZ LYS B 12 3.517 -21.447 -12.379 1.00 0.00 N ATOM 0 H LYS B 12 4.573 -17.433 -11.067 1.00 0.00 H new ATOM 0 HA LYS B 12 4.122 -17.711 -8.383 1.00 0.00 H new ATOM 0 HB2 LYS B 12 4.875 -19.812 -10.452 1.00 0.00 H new ATOM 0 HB3 LYS B 12 4.233 -20.194 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS B 12 2.210 -20.153 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.337 -18.412 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.105 -18.368 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS B 12 3.788 -18.852 -12.054 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.540 -20.885 -11.871 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.098 -20.261 -13.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 3.207 -22.323 -12.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.333 -21.052 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.791 -21.657 -11.398 1.00 0.00 H new ATOM 1908 N SER B 13 7.265 -18.120 -8.980 1.00 0.00 N ATOM 1909 CA SER B 13 8.557 -18.311 -8.326 1.00 0.00 C ATOM 1910 C SER B 13 8.666 -17.385 -7.114 1.00 0.00 C ATOM 1911 O SER B 13 9.274 -17.731 -6.100 1.00 0.00 O ATOM 1912 CB SER B 13 9.699 -18.032 -9.305 1.00 0.00 C ATOM 1913 OG SER B 13 10.809 -18.875 -9.049 1.00 0.00 O ATOM 0 H SER B 13 7.319 -17.762 -9.934 1.00 0.00 H new ATOM 0 HA SER B 13 8.632 -19.346 -7.993 1.00 0.00 H new ATOM 0 HB2 SER B 13 9.351 -18.184 -10.327 1.00 0.00 H new ATOM 0 HB3 SER B 13 10.005 -16.989 -9.224 1.00 0.00 H new ATOM 0 HG SER B 13 11.524 -18.678 -9.689 1.00 0.00 H new ATOM 1919 N SER B 14 8.051 -16.211 -7.233 1.00 0.00 N ATOM 1920 CA SER B 14 8.037 -15.211 -6.165 1.00 0.00 C ATOM 1921 C SER B 14 7.507 -15.785 -4.878 1.00 0.00 C ATOM 1922 O SER B 14 7.837 -15.313 -3.795 1.00 0.00 O ATOM 1923 CB SER B 14 7.120 -14.053 -6.558 1.00 0.00 C ATOM 1924 OG SER B 14 7.622 -12.816 -6.084 1.00 0.00 O ATOM 0 H SER B 14 7.548 -15.925 -8.073 1.00 0.00 H new ATOM 0 HA SER B 14 9.064 -14.876 -6.021 1.00 0.00 H new ATOM 0 HB2 SER B 14 7.021 -14.016 -7.643 1.00 0.00 H new ATOM 0 HB3 SER B 14 6.122 -14.222 -6.153 1.00 0.00 H new ATOM 0 HG SER B 14 7.016 -12.093 -6.351 1.00 0.00 H new ATOM 1930 N ALA B 15 6.638 -16.763 -5.004 1.00 0.00 N ATOM 1931 CA ALA B 15 6.003 -17.347 -3.850 1.00 0.00 C ATOM 1932 C ALA B 15 7.004 -17.757 -2.780 1.00 0.00 C ATOM 1933 O ALA B 15 6.659 -17.812 -1.600 1.00 0.00 O ATOM 1934 CB ALA B 15 5.127 -18.521 -4.259 1.00 0.00 C ATOM 0 H ALA B 15 6.356 -17.169 -5.896 1.00 0.00 H new ATOM 0 HA ALA B 15 5.371 -16.578 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.656 -18.949 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA B 15 4.357 -18.177 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA B 15 5.739 -19.279 -4.747 1.00 0.00 H new ATOM 1940 N LYS B 16 8.249 -18.020 -3.176 1.00 0.00 N ATOM 1941 CA LYS B 16 9.269 -18.391 -2.202 1.00 0.00 C ATOM 1942 C LYS B 16 9.249 -17.372 -1.072 1.00 0.00 C ATOM 1943 O LYS B 16 9.234 -17.722 0.108 1.00 0.00 O ATOM 1944 CB LYS B 16 10.651 -18.434 -2.856 1.00 0.00 C ATOM 1945 CG LYS B 16 10.986 -19.778 -3.483 1.00 0.00 C ATOM 1946 CD LYS B 16 12.331 -19.744 -4.189 1.00 0.00 C ATOM 1947 CE LYS B 16 12.305 -20.552 -5.477 1.00 0.00 C ATOM 1948 NZ LYS B 16 12.772 -21.949 -5.265 1.00 0.00 N ATOM 0 H LYS B 16 8.569 -17.984 -4.144 1.00 0.00 H new ATOM 0 HA LYS B 16 9.057 -19.386 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS B 16 10.705 -17.661 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS B 16 11.406 -18.194 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS B 16 10.999 -20.548 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS B 16 10.207 -20.053 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS B 16 12.600 -18.711 -4.411 1.00 0.00 H new ATOM 0 HD3 LYS B 16 13.101 -20.139 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS B 16 11.291 -20.565 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS B 16 12.936 -20.067 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 12.739 -22.467 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 13.748 -21.938 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 12.155 -22.420 -4.573 1.00 0.00 H new ATOM 1962 N THR B 17 9.197 -16.103 -1.462 1.00 0.00 N ATOM 1963 CA THR B 17 9.115 -15.005 -0.516 1.00 0.00 C ATOM 1964 C THR B 17 7.695 -14.445 -0.494 1.00 0.00 C ATOM 1965 O THR B 17 7.148 -14.144 0.567 1.00 0.00 O ATOM 1966 CB THR B 17 10.108 -13.899 -0.877 1.00 0.00 C ATOM 1967 OG1 THR B 17 11.433 -14.400 -0.894 1.00 0.00 O ATOM 1968 CG2 THR B 17 10.069 -12.731 0.085 1.00 0.00 C ATOM 0 H THR B 17 9.211 -15.811 -2.439 1.00 0.00 H new ATOM 0 HA THR B 17 9.370 -15.383 0.474 1.00 0.00 H new ATOM 0 HB THR B 17 9.809 -13.548 -1.865 1.00 0.00 H new ATOM 0 HG1 THR B 17 12.053 -13.678 -1.129 1.00 0.00 H new ATOM 0 HG21 THR B 17 10.796 -11.980 -0.225 1.00 0.00 H new ATOM 0 HG22 THR B 17 9.071 -12.292 0.084 1.00 0.00 H new ATOM 0 HG23 THR B 17 10.312 -13.078 1.089 1.00 0.00 H new ATOM 1976 N TYR B 18 7.112 -14.296 -1.686 1.00 0.00 N ATOM 1977 CA TYR B 18 5.759 -13.756 -1.822 1.00 0.00 C ATOM 1978 C TYR B 18 4.972 -14.476 -2.904 1.00 0.00 C ATOM 1979 O TYR B 18 5.303 -14.364 -4.083 1.00 0.00 O ATOM 1980 CB TYR B 18 5.829 -12.307 -2.231 1.00 0.00 C ATOM 1981 CG TYR B 18 6.814 -11.481 -1.435 1.00 0.00 C ATOM 1982 CD1 TYR B 18 6.709 -11.379 -0.053 1.00 0.00 C ATOM 1983 CD2 TYR B 18 7.848 -10.801 -2.066 1.00 0.00 C ATOM 1984 CE1 TYR B 18 7.607 -10.624 0.677 1.00 0.00 C ATOM 1985 CE2 TYR B 18 8.750 -10.044 -1.343 1.00 0.00 C ATOM 1986 CZ TYR B 18 8.625 -9.959 0.028 1.00 0.00 C ATOM 1987 OH TYR B 18 9.521 -9.206 0.751 1.00 0.00 O ATOM 0 H TYR B 18 7.557 -14.542 -2.570 1.00 0.00 H new ATOM 0 HA TYR B 18 5.268 -13.884 -0.857 1.00 0.00 H new ATOM 0 HB2 TYR B 18 6.097 -12.252 -3.286 1.00 0.00 H new ATOM 0 HB3 TYR B 18 4.838 -11.865 -2.130 1.00 0.00 H new ATOM 0 HD1 TYR B 18 5.912 -11.898 0.459 1.00 0.00 H new ATOM 0 HD2 TYR B 18 7.949 -10.865 -3.139 1.00 0.00 H new ATOM 0 HE1 TYR B 18 7.512 -10.555 1.751 1.00 0.00 H new ATOM 0 HE2 TYR B 18 9.549 -9.522 -1.849 1.00 0.00 H new ATOM 0 HH TYR B 18 10.176 -8.804 0.143 1.00 0.00 H new ATOM 1997 N PRO B 19 3.934 -15.239 -2.545 1.00 0.00 N ATOM 1998 CA PRO B 19 3.151 -15.970 -3.521 1.00 0.00 C ATOM 1999 C PRO B 19 2.020 -15.164 -4.162 1.00 0.00 C ATOM 2000 O PRO B 19 1.822 -15.257 -5.368 1.00 0.00 O ATOM 2001 CB PRO B 19 2.577 -17.147 -2.726 1.00 0.00 C ATOM 2002 CG PRO B 19 2.953 -16.910 -1.296 1.00 0.00 C ATOM 2003 CD PRO B 19 3.461 -15.495 -1.191 1.00 0.00 C ATOM 0 HA PRO B 19 3.778 -16.257 -4.365 1.00 0.00 H new ATOM 0 HB2 PRO B 19 1.494 -17.202 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.984 -18.093 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.093 -17.058 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.719 -17.617 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO B 19 2.674 -14.800 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO B 19 4.260 -15.402 -0.456 1.00 0.00 H new ATOM 2011 N TYR B 20 1.252 -14.401 -3.378 1.00 0.00 N ATOM 2012 CA TYR B 20 0.136 -13.648 -3.973 1.00 0.00 C ATOM 2013 C TYR B 20 -0.151 -12.304 -3.349 1.00 0.00 C ATOM 2014 O TYR B 20 0.443 -11.879 -2.361 1.00 0.00 O ATOM 2015 CB TYR B 20 -1.198 -14.411 -3.916 1.00 0.00 C ATOM 2016 CG TYR B 20 -1.159 -15.742 -3.263 1.00 0.00 C ATOM 2017 CD1 TYR B 20 -0.477 -15.934 -2.076 1.00 0.00 C ATOM 2018 CD2 TYR B 20 -1.822 -16.801 -3.844 1.00 0.00 C ATOM 2019 CE1 TYR B 20 -0.439 -17.158 -1.469 1.00 0.00 C ATOM 2020 CE2 TYR B 20 -1.801 -18.046 -3.251 1.00 0.00 C ATOM 2021 CZ TYR B 20 -1.107 -18.225 -2.065 1.00 0.00 C ATOM 2022 OH TYR B 20 -1.091 -19.466 -1.485 1.00 0.00 O ATOM 0 H TYR B 20 1.371 -14.288 -2.371 1.00 0.00 H new ATOM 0 HA TYR B 20 0.493 -13.508 -4.993 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -1.925 -13.792 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR B 20 -1.564 -14.539 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR B 20 0.036 -15.100 -1.619 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -2.361 -16.655 -4.769 1.00 0.00 H new ATOM 0 HE1 TYR B 20 0.100 -17.295 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -2.321 -18.875 -3.707 1.00 0.00 H new ATOM 0 HH TYR B 20 -0.768 -19.392 -0.563 1.00 0.00 H new ATOM 2032 N PHE B 21 -1.163 -11.706 -3.966 1.00 0.00 N ATOM 2033 CA PHE B 21 -1.749 -10.445 -3.591 1.00 0.00 C ATOM 2034 C PHE B 21 -3.175 -10.471 -4.112 1.00 0.00 C ATOM 2035 O PHE B 21 -3.532 -11.362 -4.883 1.00 0.00 O ATOM 2036 CB PHE B 21 -1.005 -9.249 -4.185 1.00 0.00 C ATOM 2037 CG PHE B 21 0.354 -9.563 -4.771 1.00 0.00 C ATOM 2038 CD1 PHE B 21 1.411 -9.902 -3.944 1.00 0.00 C ATOM 2039 CD2 PHE B 21 0.579 -9.507 -6.142 1.00 0.00 C ATOM 2040 CE1 PHE B 21 2.660 -10.182 -4.463 1.00 0.00 C ATOM 2041 CE2 PHE B 21 1.828 -9.784 -6.666 1.00 0.00 C ATOM 2042 CZ PHE B 21 2.869 -10.122 -5.825 1.00 0.00 C ATOM 0 H PHE B 21 -1.614 -12.117 -4.783 1.00 0.00 H new ATOM 0 HA PHE B 21 -1.699 -10.325 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE B 21 -1.625 -8.806 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE B 21 -0.882 -8.495 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE B 21 1.257 -9.948 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE B 21 -0.232 -9.244 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE B 21 3.472 -10.448 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE B 21 1.989 -9.736 -7.733 1.00 0.00 H new ATOM 0 HZ PHE B 21 3.845 -10.339 -6.233 1.00 0.00 H new ATOM 2052 N VAL B 22 -3.997 -9.537 -3.698 1.00 0.00 N ATOM 2053 CA VAL B 22 -5.373 -9.534 -4.150 1.00 0.00 C ATOM 2054 C VAL B 22 -5.829 -8.155 -4.583 1.00 0.00 C ATOM 2055 O VAL B 22 -5.753 -7.195 -3.824 1.00 0.00 O ATOM 2056 CB VAL B 22 -6.288 -10.059 -3.048 1.00 0.00 C ATOM 2057 CG1 VAL B 22 -7.751 -9.910 -3.442 1.00 0.00 C ATOM 2058 CG2 VAL B 22 -5.956 -11.512 -2.730 1.00 0.00 C ATOM 0 H VAL B 22 -3.747 -8.781 -3.061 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.430 -10.189 -5.020 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.121 -9.464 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.384 -10.291 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -7.976 -8.857 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.941 -10.475 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -6.617 -11.872 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.092 -12.120 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.921 -11.584 -2.396 1.00 0.00 H new ATOM 2068 N ASP B 23 -6.317 -8.071 -5.809 1.00 0.00 N ATOM 2069 CA ASP B 23 -6.802 -6.801 -6.346 1.00 0.00 C ATOM 2070 C ASP B 23 -7.918 -6.243 -5.466 1.00 0.00 C ATOM 2071 O ASP B 23 -9.005 -6.813 -5.393 1.00 0.00 O ATOM 2072 CB ASP B 23 -7.298 -6.978 -7.780 1.00 0.00 C ATOM 2073 CG ASP B 23 -6.166 -7.273 -8.742 1.00 0.00 C ATOM 2074 OD1 ASP B 23 -5.042 -7.545 -8.269 1.00 0.00 O ATOM 2075 OD2 ASP B 23 -6.403 -7.237 -9.968 1.00 0.00 O ATOM 0 H ASP B 23 -6.390 -8.860 -6.452 1.00 0.00 H new ATOM 0 HA ASP B 23 -5.974 -6.092 -6.352 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -8.024 -7.791 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -7.817 -6.074 -8.098 1.00 0.00 H new ATOM 2080 N VAL B 24 -7.633 -5.137 -4.783 1.00 0.00 N ATOM 2081 CA VAL B 24 -8.608 -4.516 -3.892 1.00 0.00 C ATOM 2082 C VAL B 24 -8.302 -3.047 -3.679 1.00 0.00 C ATOM 2083 O VAL B 24 -7.474 -2.696 -2.838 1.00 0.00 O ATOM 2084 CB VAL B 24 -8.650 -5.248 -2.534 1.00 0.00 C ATOM 2085 CG1 VAL B 24 -7.240 -5.472 -2.000 1.00 0.00 C ATOM 2086 CG2 VAL B 24 -9.505 -4.495 -1.522 1.00 0.00 C ATOM 0 H VAL B 24 -6.736 -4.653 -4.830 1.00 0.00 H new ATOM 0 HA VAL B 24 -9.585 -4.597 -4.368 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.114 -6.222 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -7.292 -5.989 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -6.674 -6.077 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -6.744 -4.510 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -9.513 -5.038 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.091 -3.499 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -10.524 -4.408 -1.899 1.00 0.00 H new ATOM 2096 N GLN B 25 -8.979 -2.182 -4.431 1.00 0.00 N ATOM 2097 CA GLN B 25 -8.757 -0.755 -4.284 1.00 0.00 C ATOM 2098 C GLN B 25 -9.647 0.090 -5.187 1.00 0.00 C ATOM 2099 O GLN B 25 -10.871 -0.040 -5.175 1.00 0.00 O ATOM 2100 CB GLN B 25 -7.301 -0.426 -4.559 1.00 0.00 C ATOM 2101 CG GLN B 25 -6.817 0.797 -3.790 1.00 0.00 C ATOM 2102 CD GLN B 25 -5.976 1.728 -4.644 1.00 0.00 C ATOM 2103 OE1 GLN B 25 -5.237 1.285 -5.523 1.00 0.00 O ATOM 2104 NE2 GLN B 25 -6.085 3.026 -4.388 1.00 0.00 N ATOM 0 H GLN B 25 -9.671 -2.442 -5.134 1.00 0.00 H new ATOM 0 HA GLN B 25 -9.018 -0.506 -3.255 1.00 0.00 H new ATOM 0 HB2 GLN B 25 -6.683 -1.284 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN B 25 -7.167 -0.254 -5.627 1.00 0.00 H new ATOM 0 HG2 GLN B 25 -7.678 1.343 -3.404 1.00 0.00 H new ATOM 0 HG3 GLN B 25 -6.233 0.472 -2.929 1.00 0.00 H new ATOM 0 HE21 GLN B 25 -6.710 3.349 -3.650 1.00 0.00 H new ATOM 0 HE22 GLN B 25 -5.544 3.700 -4.930 1.00 0.00 H new ATOM 2113 N SER B 26 -9.014 0.984 -5.950 1.00 0.00 N ATOM 2114 CA SER B 26 -9.746 1.884 -6.841 1.00 0.00 C ATOM 2115 C SER B 26 -10.766 1.158 -7.692 1.00 0.00 C ATOM 2116 O SER B 26 -10.424 0.255 -8.448 1.00 0.00 O ATOM 2117 CB SER B 26 -8.812 2.631 -7.777 1.00 0.00 C ATOM 2118 OG SER B 26 -7.964 3.516 -7.066 1.00 0.00 O ATOM 0 H SER B 26 -8.001 1.103 -5.968 1.00 0.00 H new ATOM 0 HA SER B 26 -10.258 2.584 -6.180 1.00 0.00 H new ATOM 0 HB2 SER B 26 -8.208 1.917 -8.336 1.00 0.00 H new ATOM 0 HB3 SER B 26 -9.397 3.192 -8.505 1.00 0.00 H new ATOM 0 HG SER B 26 -7.035 3.372 -7.343 1.00 0.00 H new ATOM 2124 N ASP B 27 -12.007 1.604 -7.620 1.00 0.00 N ATOM 2125 CA ASP B 27 -13.049 1.037 -8.451 1.00 0.00 C ATOM 2126 C ASP B 27 -12.964 1.724 -9.805 1.00 0.00 C ATOM 2127 O ASP B 27 -13.176 1.112 -10.852 1.00 0.00 O ATOM 2128 CB ASP B 27 -14.429 1.244 -7.824 1.00 0.00 C ATOM 2129 CG ASP B 27 -15.348 0.058 -8.043 1.00 0.00 C ATOM 2130 OD1 ASP B 27 -15.234 -0.593 -9.104 1.00 0.00 O ATOM 2131 OD2 ASP B 27 -16.180 -0.221 -7.155 1.00 0.00 O ATOM 0 H ASP B 27 -12.315 2.352 -6.999 1.00 0.00 H new ATOM 0 HA ASP B 27 -12.910 -0.039 -8.554 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -14.316 1.420 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -14.887 2.138 -8.247 1.00 0.00 H new ATOM 2136 N LEU B 28 -12.605 3.008 -9.757 1.00 0.00 N ATOM 2137 CA LEU B 28 -12.432 3.811 -10.954 1.00 0.00 C ATOM 2138 C LEU B 28 -11.024 3.650 -11.513 1.00 0.00 C ATOM 2139 O LEU B 28 -10.735 4.068 -12.634 1.00 0.00 O ATOM 2140 CB LEU B 28 -12.708 5.285 -10.655 1.00 0.00 C ATOM 2141 CG LEU B 28 -14.120 5.593 -10.151 1.00 0.00 C ATOM 2142 CD1 LEU B 28 -15.162 5.021 -11.099 1.00 0.00 C ATOM 2143 CD2 LEU B 28 -14.315 5.044 -8.746 1.00 0.00 C ATOM 0 H LEU B 28 -12.428 3.512 -8.888 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.146 3.462 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -11.990 5.629 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -12.529 5.863 -11.561 1.00 0.00 H new ATOM 0 HG LEU B 28 -14.246 6.675 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -16.160 5.250 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -15.036 5.462 -12.088 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -15.039 3.940 -11.166 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -15.324 5.272 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -14.170 3.964 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -13.591 5.502 -8.072 1.00 0.00 H new ATOM 2155 N LEU B 29 -10.155 3.044 -10.718 1.00 0.00 N ATOM 2156 CA LEU B 29 -8.775 2.821 -11.111 1.00 0.00 C ATOM 2157 C LEU B 29 -8.348 1.404 -10.747 1.00 0.00 C ATOM 2158 O LEU B 29 -7.178 1.146 -10.467 1.00 0.00 O ATOM 2159 CB LEU B 29 -7.867 3.840 -10.420 1.00 0.00 C ATOM 2160 CG LEU B 29 -8.168 5.303 -10.749 1.00 0.00 C ATOM 2161 CD1 LEU B 29 -7.638 6.215 -9.652 1.00 0.00 C ATOM 2162 CD2 LEU B 29 -7.570 5.682 -12.097 1.00 0.00 C ATOM 0 H LEU B 29 -10.386 2.695 -9.788 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.689 2.945 -12.191 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -7.946 3.702 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -6.834 3.627 -10.693 1.00 0.00 H new ATOM 0 HG LEU B 29 -9.249 5.428 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.861 7.252 -9.902 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -8.114 5.960 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.559 6.087 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -7.794 6.726 -12.314 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.489 5.542 -12.068 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -7.997 5.050 -12.875 1.00 0.00 H new ATOM 2174 N ASP B 30 -9.317 0.493 -10.738 1.00 0.00 N ATOM 2175 CA ASP B 30 -9.058 -0.898 -10.393 1.00 0.00 C ATOM 2176 C ASP B 30 -8.093 -1.541 -11.383 1.00 0.00 C ATOM 2177 O ASP B 30 -7.024 -2.009 -10.999 1.00 0.00 O ATOM 2178 CB ASP B 30 -10.378 -1.676 -10.345 1.00 0.00 C ATOM 2179 CG ASP B 30 -10.585 -2.391 -9.024 1.00 0.00 C ATOM 2180 OD1 ASP B 30 -9.617 -2.485 -8.240 1.00 0.00 O ATOM 2181 OD2 ASP B 30 -11.717 -2.855 -8.774 1.00 0.00 O ATOM 0 H ASP B 30 -10.290 0.696 -10.966 1.00 0.00 H new ATOM 0 HA ASP B 30 -8.591 -0.928 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -11.207 -0.989 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -10.396 -2.405 -11.155 1.00 0.00 H new ATOM 2186 N ASN B 31 -8.463 -1.555 -12.659 1.00 0.00 N ATOM 2187 CA ASN B 31 -7.602 -2.137 -13.687 1.00 0.00 C ATOM 2188 C ASN B 31 -7.138 -1.076 -14.652 1.00 0.00 C ATOM 2189 O ASN B 31 -6.583 -1.381 -15.708 1.00 0.00 O ATOM 2190 CB ASN B 31 -8.319 -3.249 -14.463 1.00 0.00 C ATOM 2191 CG ASN B 31 -7.355 -4.242 -15.083 1.00 0.00 C ATOM 2192 OD1 ASN B 31 -7.624 -5.529 -14.890 1.00 0.00 O flip ATOM 2193 ND2 ASN B 31 -6.384 -3.859 -15.734 1.00 0.00 N flip ATOM 0 H ASN B 31 -9.344 -1.175 -13.006 1.00 0.00 H new ATOM 0 HA ASN B 31 -6.741 -2.571 -13.178 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -8.997 -3.777 -13.792 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -8.930 -2.803 -15.248 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.215 -2.861 -15.858 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.748 -4.540 -16.150 1.00 0.00 H new ATOM 2200 N LEU B 32 -7.340 0.170 -14.271 1.00 0.00 N ATOM 2201 CA LEU B 32 -6.903 1.285 -15.102 1.00 0.00 C ATOM 2202 C LEU B 32 -5.480 1.034 -15.535 1.00 0.00 C ATOM 2203 O LEU B 32 -5.186 0.814 -16.710 1.00 0.00 O ATOM 2204 CB LEU B 32 -6.925 2.590 -14.322 1.00 0.00 C ATOM 2205 CG LEU B 32 -7.818 3.687 -14.903 1.00 0.00 C ATOM 2206 CD1 LEU B 32 -7.424 3.991 -16.340 1.00 0.00 C ATOM 2207 CD2 LEU B 32 -9.281 3.279 -14.824 1.00 0.00 C ATOM 0 H LEU B 32 -7.799 0.439 -13.401 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.577 1.363 -15.955 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -7.253 2.380 -13.304 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -5.906 2.971 -14.256 1.00 0.00 H new ATOM 0 HG LEU B 32 -7.681 4.592 -14.312 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -8.070 4.774 -16.737 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -6.387 4.327 -16.370 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -7.531 3.091 -16.945 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -9.903 4.071 -15.242 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -9.434 2.361 -15.391 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -9.557 3.113 -13.783 1.00 0.00 H new ATOM 2219 N ASN B 33 -4.605 1.061 -14.544 1.00 0.00 N ATOM 2220 CA ASN B 33 -3.206 0.830 -14.766 1.00 0.00 C ATOM 2221 C ASN B 33 -2.567 0.077 -13.594 1.00 0.00 C ATOM 2222 O ASN B 33 -1.410 -0.325 -13.682 1.00 0.00 O ATOM 2223 CB ASN B 33 -2.478 2.157 -14.991 1.00 0.00 C ATOM 2224 CG ASN B 33 -1.162 1.978 -15.721 1.00 0.00 C ATOM 2225 OD1 ASN B 33 -1.136 1.621 -16.899 1.00 0.00 O ATOM 2226 ND2 ASN B 33 -0.060 2.226 -15.023 1.00 0.00 N ATOM 0 H ASN B 33 -4.852 1.243 -13.571 1.00 0.00 H new ATOM 0 HA ASN B 33 -3.111 0.210 -15.658 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -3.119 2.828 -15.563 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.294 2.635 -14.029 1.00 0.00 H new ATOM 0 HD21 ASN B 33 0.855 2.123 -15.461 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -0.129 2.520 -14.049 1.00 0.00 H new ATOM 2233 N THR B 34 -3.329 -0.118 -12.503 1.00 0.00 N ATOM 2234 CA THR B 34 -2.829 -0.820 -11.314 1.00 0.00 C ATOM 2235 C THR B 34 -3.966 -1.077 -10.332 1.00 0.00 C ATOM 2236 O THR B 34 -5.081 -0.590 -10.516 1.00 0.00 O ATOM 2237 CB THR B 34 -1.747 -0.011 -10.580 1.00 0.00 C ATOM 2238 OG1 THR B 34 -2.293 1.184 -10.053 1.00 0.00 O ATOM 2239 CG2 THR B 34 -0.556 0.373 -11.431 1.00 0.00 C ATOM 0 H THR B 34 -4.294 0.202 -12.423 1.00 0.00 H new ATOM 0 HA THR B 34 -2.399 -1.758 -11.664 1.00 0.00 H new ATOM 0 HB THR B 34 -1.392 -0.682 -9.797 1.00 0.00 H new ATOM 0 HG1 THR B 34 -1.592 1.686 -9.588 1.00 0.00 H new ATOM 0 HG21 THR B 34 0.154 0.940 -10.829 1.00 0.00 H new ATOM 0 HG22 THR B 34 -0.073 -0.528 -11.808 1.00 0.00 H new ATOM 0 HG23 THR B 34 -0.890 0.984 -12.270 1.00 0.00 H new ATOM 2247 N ARG B 35 -3.666 -1.821 -9.275 1.00 0.00 N ATOM 2248 CA ARG B 35 -4.650 -2.121 -8.241 1.00 0.00 C ATOM 2249 C ARG B 35 -3.964 -2.356 -6.901 1.00 0.00 C ATOM 2250 O ARG B 35 -2.888 -2.952 -6.852 1.00 0.00 O ATOM 2251 CB ARG B 35 -5.480 -3.352 -8.625 1.00 0.00 C ATOM 2252 CG ARG B 35 -4.676 -4.446 -9.317 1.00 0.00 C ATOM 2253 CD ARG B 35 -5.305 -4.857 -10.641 1.00 0.00 C ATOM 2254 NE ARG B 35 -5.005 -3.907 -11.710 1.00 0.00 N ATOM 2255 CZ ARG B 35 -4.973 -4.222 -13.004 1.00 0.00 C ATOM 2256 NH1 ARG B 35 -5.239 -5.459 -13.402 1.00 0.00 N ATOM 2257 NH2 ARG B 35 -4.687 -3.292 -13.903 1.00 0.00 N ATOM 0 H ARG B 35 -2.746 -2.229 -9.110 1.00 0.00 H new ATOM 0 HA ARG B 35 -5.316 -1.263 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.938 -3.764 -7.726 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -6.292 -3.040 -9.282 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -3.659 -4.095 -9.491 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -4.606 -5.315 -8.663 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -4.942 -5.846 -10.923 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -6.385 -4.936 -10.520 1.00 0.00 H new ATOM 0 HE ARG B 35 -4.807 -2.941 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -5.470 -6.177 -12.715 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -5.212 -5.692 -14.395 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.492 -2.337 -13.604 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -4.662 -3.531 -14.894 1.00 0.00 H new ATOM 2271 N LEU B 36 -4.586 -1.912 -5.808 1.00 0.00 N ATOM 2272 CA LEU B 36 -3.994 -2.129 -4.492 1.00 0.00 C ATOM 2273 C LEU B 36 -4.254 -3.558 -4.060 1.00 0.00 C ATOM 2274 O LEU B 36 -5.373 -4.055 -4.187 1.00 0.00 O ATOM 2275 CB LEU B 36 -4.556 -1.162 -3.453 1.00 0.00 C ATOM 2276 CG LEU B 36 -3.653 -0.915 -2.248 1.00 0.00 C ATOM 2277 CD1 LEU B 36 -2.260 -0.499 -2.692 1.00 0.00 C ATOM 2278 CD2 LEU B 36 -4.264 0.136 -1.335 1.00 0.00 C ATOM 0 H LEU B 36 -5.476 -1.413 -5.807 1.00 0.00 H new ATOM 0 HA LEU B 36 -2.922 -1.947 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.758 -0.207 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.512 -1.548 -3.099 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.563 -1.847 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -1.635 -0.329 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.822 -1.288 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.323 0.419 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.608 0.301 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.385 1.069 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -5.237 -0.208 -0.985 1.00 0.00 H new ATOM 2290 N VAL B 37 -3.222 -4.233 -3.576 1.00 0.00 N ATOM 2291 CA VAL B 37 -3.377 -5.618 -3.168 1.00 0.00 C ATOM 2292 C VAL B 37 -2.914 -5.883 -1.752 1.00 0.00 C ATOM 2293 O VAL B 37 -2.043 -5.198 -1.217 1.00 0.00 O ATOM 2294 CB VAL B 37 -2.595 -6.583 -4.087 1.00 0.00 C ATOM 2295 CG1 VAL B 37 -3.317 -6.775 -5.412 1.00 0.00 C ATOM 2296 CG2 VAL B 37 -1.167 -6.094 -4.312 1.00 0.00 C ATOM 0 H VAL B 37 -2.284 -3.851 -3.458 1.00 0.00 H new ATOM 0 HA VAL B 37 -4.450 -5.798 -3.238 1.00 0.00 H new ATOM 0 HB VAL B 37 -2.542 -7.550 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL B 37 -2.747 -7.458 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL B 37 -4.308 -7.191 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL B 37 -3.414 -5.813 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL B 37 -0.641 -6.793 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL B 37 -1.189 -5.110 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL B 37 -0.649 -6.029 -3.355 1.00 0.00 H new ATOM 2306 N ILE B 38 -3.458 -6.953 -1.195 1.00 0.00 N ATOM 2307 CA ILE B 38 -3.069 -7.416 0.115 1.00 0.00 C ATOM 2308 C ILE B 38 -2.272 -8.681 -0.138 1.00 0.00 C ATOM 2309 O ILE B 38 -2.831 -9.769 -0.273 1.00 0.00 O ATOM 2310 CB ILE B 38 -4.280 -7.727 1.022 1.00 0.00 C ATOM 2311 CG1 ILE B 38 -5.523 -6.964 0.553 1.00 0.00 C ATOM 2312 CG2 ILE B 38 -3.959 -7.378 2.466 1.00 0.00 C ATOM 2313 CD1 ILE B 38 -6.747 -7.221 1.405 1.00 0.00 C ATOM 0 H ILE B 38 -4.179 -7.519 -1.642 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.501 -6.647 0.639 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.491 -8.794 0.957 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.306 -5.896 0.556 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -5.743 -7.242 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -4.821 -7.602 3.095 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.103 -7.965 2.801 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.722 -6.317 2.540 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -7.589 -6.649 1.015 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -6.989 -8.284 1.383 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -6.546 -6.916 2.432 1.00 0.00 H new ATOM 2325 N PRO B 39 -0.951 -8.531 -0.290 1.00 0.00 N ATOM 2326 CA PRO B 39 -0.063 -9.637 -0.627 1.00 0.00 C ATOM 2327 C PRO B 39 -0.217 -10.864 0.270 1.00 0.00 C ATOM 2328 O PRO B 39 0.289 -10.896 1.386 1.00 0.00 O ATOM 2329 CB PRO B 39 1.345 -9.038 -0.494 1.00 0.00 C ATOM 2330 CG PRO B 39 1.164 -7.694 0.133 1.00 0.00 C ATOM 2331 CD PRO B 39 -0.222 -7.257 -0.227 1.00 0.00 C ATOM 0 HA PRO B 39 -0.291 -10.017 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO B 39 1.982 -9.673 0.121 1.00 0.00 H new ATOM 0 HB3 PRO B 39 1.826 -8.952 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO B 39 1.288 -7.748 1.215 1.00 0.00 H new ATOM 0 HG3 PRO B 39 1.906 -6.987 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -0.643 -6.585 0.521 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -0.246 -6.728 -1.180 1.00 0.00 H new ATOM 2339 N LEU B 40 -0.893 -11.885 -0.248 1.00 0.00 N ATOM 2340 CA LEU B 40 -1.090 -13.136 0.482 1.00 0.00 C ATOM 2341 C LEU B 40 0.199 -13.916 0.546 1.00 0.00 C ATOM 2342 O LEU B 40 1.082 -13.739 -0.290 1.00 0.00 O ATOM 2343 CB LEU B 40 -2.151 -13.988 -0.205 1.00 0.00 C ATOM 2344 CG LEU B 40 -3.577 -13.535 0.029 1.00 0.00 C ATOM 2345 CD1 LEU B 40 -4.435 -13.835 -1.189 1.00 0.00 C ATOM 2346 CD2 LEU B 40 -4.150 -14.206 1.266 1.00 0.00 C ATOM 0 H LEU B 40 -1.316 -11.871 -1.176 1.00 0.00 H new ATOM 0 HA LEU B 40 -1.417 -12.891 1.493 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.957 -13.991 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -2.050 -15.017 0.140 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.577 -12.457 0.192 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -5.457 -13.503 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.034 -13.309 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.431 -14.908 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -5.175 -13.870 1.420 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.139 -15.288 1.131 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.547 -13.943 2.135 1.00 0.00 H new ATOM 2358 N THR B 41 0.305 -14.779 1.540 1.00 0.00 N ATOM 2359 CA THR B 41 1.494 -15.585 1.695 1.00 0.00 C ATOM 2360 C THR B 41 1.229 -16.821 2.535 1.00 0.00 C ATOM 2361 O THR B 41 0.194 -16.932 3.186 1.00 0.00 O ATOM 2362 CB THR B 41 2.631 -14.745 2.245 1.00 0.00 C ATOM 2363 OG1 THR B 41 3.474 -15.493 3.105 1.00 0.00 O ATOM 2364 CG2 THR B 41 2.185 -13.512 3.005 1.00 0.00 C ATOM 0 H THR B 41 -0.414 -14.937 2.246 1.00 0.00 H new ATOM 0 HA THR B 41 1.795 -15.946 0.712 1.00 0.00 H new ATOM 0 HB THR B 41 3.169 -14.424 1.353 1.00 0.00 H new ATOM 0 HG1 THR B 41 4.409 -15.247 2.942 1.00 0.00 H new ATOM 0 HG21 THR B 41 3.060 -12.969 3.363 1.00 0.00 H new ATOM 0 HG22 THR B 41 1.604 -12.868 2.345 1.00 0.00 H new ATOM 0 HG23 THR B 41 1.570 -13.811 3.854 1.00 0.00 H new ATOM 2372 N PRO B 42 2.142 -17.799 2.492 1.00 0.00 N ATOM 2373 CA PRO B 42 1.973 -19.058 3.210 1.00 0.00 C ATOM 2374 C PRO B 42 2.153 -18.935 4.705 1.00 0.00 C ATOM 2375 O PRO B 42 3.225 -18.597 5.206 1.00 0.00 O ATOM 2376 CB PRO B 42 3.052 -19.938 2.579 1.00 0.00 C ATOM 2377 CG PRO B 42 4.129 -18.972 2.267 1.00 0.00 C ATOM 2378 CD PRO B 42 3.395 -17.794 1.705 1.00 0.00 C ATOM 0 HA PRO B 42 0.962 -19.454 3.119 1.00 0.00 H new ATOM 0 HB2 PRO B 42 3.392 -20.714 3.265 1.00 0.00 H new ATOM 0 HB3 PRO B 42 2.689 -20.441 1.683 1.00 0.00 H new ATOM 0 HG2 PRO B 42 4.696 -18.703 3.158 1.00 0.00 H new ATOM 0 HG3 PRO B 42 4.839 -19.382 1.549 1.00 0.00 H new ATOM 0 HD2 PRO B 42 3.953 -16.867 1.835 1.00 0.00 H new ATOM 0 HD3 PRO B 42 3.205 -17.905 0.637 1.00 0.00 H new ATOM 2386 N ILE B 43 1.073 -19.245 5.401 1.00 0.00 N ATOM 2387 CA ILE B 43 1.035 -19.219 6.846 1.00 0.00 C ATOM 2388 C ILE B 43 2.227 -19.970 7.431 1.00 0.00 C ATOM 2389 O ILE B 43 2.681 -19.685 8.539 1.00 0.00 O ATOM 2390 CB ILE B 43 -0.282 -19.859 7.327 1.00 0.00 C ATOM 2391 CG1 ILE B 43 -1.381 -18.813 7.336 1.00 0.00 C ATOM 2392 CG2 ILE B 43 -0.114 -20.526 8.685 1.00 0.00 C ATOM 2393 CD1 ILE B 43 -2.679 -19.319 7.917 1.00 0.00 C ATOM 0 H ILE B 43 0.191 -19.524 4.971 1.00 0.00 H new ATOM 0 HA ILE B 43 1.087 -18.185 7.186 1.00 0.00 H new ATOM 0 HB ILE B 43 -0.567 -20.649 6.632 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.046 -17.949 7.910 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.556 -18.470 6.316 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -1.062 -20.967 8.994 1.00 0.00 H new ATOM 0 HG22 ILE B 43 0.644 -21.307 8.616 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.197 -19.783 9.419 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -3.423 -18.523 7.894 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.035 -20.165 7.329 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -2.518 -19.635 8.948 1.00 0.00 H new ATOM 2405 N GLU B 44 2.711 -20.939 6.672 1.00 0.00 N ATOM 2406 CA GLU B 44 3.834 -21.763 7.079 1.00 0.00 C ATOM 2407 C GLU B 44 5.144 -20.979 7.083 1.00 0.00 C ATOM 2408 O GLU B 44 5.819 -20.895 8.109 1.00 0.00 O ATOM 2409 CB GLU B 44 3.923 -22.956 6.138 1.00 0.00 C ATOM 2410 CG GLU B 44 4.271 -24.261 6.835 1.00 0.00 C ATOM 2411 CD GLU B 44 4.645 -25.361 5.862 1.00 0.00 C ATOM 2412 OE1 GLU B 44 5.239 -25.046 4.809 1.00 0.00 O ATOM 2413 OE2 GLU B 44 4.345 -26.538 6.153 1.00 0.00 O ATOM 0 H GLU B 44 2.334 -21.176 5.754 1.00 0.00 H new ATOM 0 HA GLU B 44 3.671 -22.103 8.102 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.970 -23.073 5.623 1.00 0.00 H new ATOM 0 HB3 GLU B 44 4.674 -22.750 5.375 1.00 0.00 H new ATOM 0 HG2 GLU B 44 5.100 -24.092 7.522 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.421 -24.586 7.435 1.00 0.00 H new ATOM 2420 N LEU B 45 5.504 -20.409 5.938 1.00 0.00 N ATOM 2421 CA LEU B 45 6.739 -19.640 5.832 1.00 0.00 C ATOM 2422 C LEU B 45 6.705 -18.415 6.743 1.00 0.00 C ATOM 2423 O LEU B 45 7.749 -17.864 7.094 1.00 0.00 O ATOM 2424 CB LEU B 45 6.978 -19.206 4.384 1.00 0.00 C ATOM 2425 CG LEU B 45 6.790 -20.305 3.336 1.00 0.00 C ATOM 2426 CD1 LEU B 45 7.209 -19.808 1.961 1.00 0.00 C ATOM 2427 CD2 LEU B 45 7.582 -21.548 3.717 1.00 0.00 C ATOM 0 H LEU B 45 4.962 -20.464 5.075 1.00 0.00 H new ATOM 0 HA LEU B 45 7.559 -20.283 6.151 1.00 0.00 H new ATOM 0 HB2 LEU B 45 6.301 -18.384 4.151 1.00 0.00 H new ATOM 0 HB3 LEU B 45 7.993 -18.816 4.301 1.00 0.00 H new ATOM 0 HG LEU B 45 5.733 -20.568 3.300 1.00 0.00 H new ATOM 0 HD11 LEU B 45 7.068 -20.603 1.228 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.600 -18.947 1.684 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.259 -19.517 1.984 1.00 0.00 H new ATOM 0 HD21 LEU B 45 7.436 -22.319 2.960 1.00 0.00 H new ATOM 0 HD22 LEU B 45 8.641 -21.299 3.782 1.00 0.00 H new ATOM 0 HD23 LEU B 45 7.237 -21.918 4.682 1.00 0.00 H new ATOM 2439 N LEU B 46 5.503 -17.992 7.125 1.00 0.00 N ATOM 2440 CA LEU B 46 5.343 -16.833 7.997 1.00 0.00 C ATOM 2441 C LEU B 46 4.763 -17.243 9.348 1.00 0.00 C ATOM 2442 O LEU B 46 3.832 -16.615 9.853 1.00 0.00 O ATOM 2443 CB LEU B 46 4.438 -15.793 7.333 1.00 0.00 C ATOM 2444 CG LEU B 46 4.587 -14.369 7.871 1.00 0.00 C ATOM 2445 CD1 LEU B 46 5.703 -13.637 7.142 1.00 0.00 C ATOM 2446 CD2 LEU B 46 3.274 -13.611 7.738 1.00 0.00 C ATOM 0 H LEU B 46 4.627 -18.434 6.845 1.00 0.00 H new ATOM 0 HA LEU B 46 6.327 -16.395 8.164 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.644 -15.784 6.263 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.401 -16.105 7.455 1.00 0.00 H new ATOM 0 HG LEU B 46 4.847 -14.425 8.928 1.00 0.00 H new ATOM 0 HD11 LEU B 46 5.794 -12.626 7.538 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.643 -14.170 7.287 1.00 0.00 H new ATOM 0 HD13 LEU B 46 5.473 -13.590 6.078 1.00 0.00 H new ATOM 0 HD21 LEU B 46 3.397 -12.600 8.125 1.00 0.00 H new ATOM 0 HD22 LEU B 46 2.985 -13.565 6.688 1.00 0.00 H new ATOM 0 HD23 LEU B 46 2.498 -14.125 8.305 1.00 0.00 H new ATOM 2458 N ASP B 47 5.318 -18.303 9.928 1.00 0.00 N ATOM 2459 CA ASP B 47 4.856 -18.799 11.220 1.00 0.00 C ATOM 2460 C ASP B 47 3.457 -19.347 11.122 1.00 0.00 C ATOM 2461 O ASP B 47 2.491 -18.631 10.861 1.00 0.00 O ATOM 2462 CB ASP B 47 4.924 -17.710 12.289 1.00 0.00 C ATOM 2463 CG ASP B 47 6.127 -16.800 12.124 1.00 0.00 C ATOM 2464 OD1 ASP B 47 7.105 -17.221 11.471 1.00 0.00 O ATOM 2465 OD2 ASP B 47 6.091 -15.667 12.648 1.00 0.00 O ATOM 0 H ASP B 47 6.088 -18.835 9.524 1.00 0.00 H new ATOM 0 HA ASP B 47 5.524 -19.609 11.515 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.014 -17.112 12.251 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.958 -18.175 13.274 1.00 0.00 H new ATOM 2470 N LYS B 48 3.382 -20.641 11.337 1.00 0.00 N ATOM 2471 CA LYS B 48 2.140 -21.369 11.287 1.00 0.00 C ATOM 2472 C LYS B 48 1.344 -21.197 12.582 1.00 0.00 C ATOM 2473 O LYS B 48 0.228 -21.701 12.708 1.00 0.00 O ATOM 2474 CB LYS B 48 2.471 -22.833 11.049 1.00 0.00 C ATOM 2475 CG LYS B 48 2.150 -23.311 9.642 1.00 0.00 C ATOM 2476 CD LYS B 48 0.794 -23.991 9.564 1.00 0.00 C ATOM 2477 CE LYS B 48 0.694 -25.164 10.527 1.00 0.00 C ATOM 2478 NZ LYS B 48 -0.065 -24.809 11.758 1.00 0.00 N ATOM 0 H LYS B 48 4.192 -21.221 11.554 1.00 0.00 H new ATOM 0 HA LYS B 48 1.517 -20.984 10.480 1.00 0.00 H new ATOM 0 HB2 LYS B 48 3.531 -22.993 11.245 1.00 0.00 H new ATOM 0 HB3 LYS B 48 1.919 -23.442 11.765 1.00 0.00 H new ATOM 0 HG2 LYS B 48 2.169 -22.462 8.958 1.00 0.00 H new ATOM 0 HG3 LYS B 48 2.922 -24.005 9.310 1.00 0.00 H new ATOM 0 HD2 LYS B 48 0.011 -23.267 9.790 1.00 0.00 H new ATOM 0 HD3 LYS B 48 0.621 -24.341 8.546 1.00 0.00 H new ATOM 0 HE2 LYS B 48 0.206 -26.002 10.029 1.00 0.00 H new ATOM 0 HE3 LYS B 48 1.696 -25.495 10.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.457 -25.139 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -0.183 -23.777 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -1.000 -25.263 11.732 1.00 0.00 H new ATOM 2492 N LYS B 49 1.930 -20.486 13.542 1.00 0.00 N ATOM 2493 CA LYS B 49 1.286 -20.247 14.827 1.00 0.00 C ATOM 2494 C LYS B 49 0.895 -18.780 14.976 1.00 0.00 C ATOM 2495 O LYS B 49 0.854 -18.249 16.086 1.00 0.00 O ATOM 2496 CB LYS B 49 2.220 -20.655 15.970 1.00 0.00 C ATOM 2497 CG LYS B 49 3.686 -20.340 15.703 1.00 0.00 C ATOM 2498 CD LYS B 49 4.418 -19.971 16.984 1.00 0.00 C ATOM 2499 CE LYS B 49 5.829 -20.535 17.000 1.00 0.00 C ATOM 2500 NZ LYS B 49 6.419 -20.515 18.367 1.00 0.00 N ATOM 0 H LYS B 49 2.854 -20.064 13.452 1.00 0.00 H new ATOM 0 HA LYS B 49 0.380 -20.852 14.870 1.00 0.00 H new ATOM 0 HB2 LYS B 49 1.908 -20.146 16.882 1.00 0.00 H new ATOM 0 HB3 LYS B 49 2.114 -21.725 16.150 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.167 -21.203 15.243 1.00 0.00 H new ATOM 0 HG3 LYS B 49 3.759 -19.518 14.991 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.457 -18.886 17.082 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.864 -20.349 17.843 1.00 0.00 H new ATOM 0 HE2 LYS B 49 5.815 -21.559 16.625 1.00 0.00 H new ATOM 0 HE3 LYS B 49 6.459 -19.957 16.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 7.381 -20.908 18.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 6.456 -19.536 18.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 5.832 -21.088 19.007 1.00 0.00 H new ATOM 2514 N ALA B 50 0.610 -18.129 13.852 1.00 0.00 N ATOM 2515 CA ALA B 50 0.226 -16.723 13.861 1.00 0.00 C ATOM 2516 C ALA B 50 -1.242 -16.556 14.249 1.00 0.00 C ATOM 2517 O ALA B 50 -2.087 -17.369 13.876 1.00 0.00 O ATOM 2518 CB ALA B 50 0.488 -16.097 12.500 1.00 0.00 C ATOM 0 H ALA B 50 0.638 -18.553 12.925 1.00 0.00 H new ATOM 0 HA ALA B 50 0.832 -16.211 14.608 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.197 -15.047 12.520 1.00 0.00 H new ATOM 0 HB2 ALA B 50 1.549 -16.175 12.262 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -0.094 -16.620 11.741 1.00 0.00 H new ATOM 2524 N PRO B 51 -1.566 -15.492 15.007 1.00 0.00 N ATOM 2525 CA PRO B 51 -2.938 -15.224 15.443 1.00 0.00 C ATOM 2526 C PRO B 51 -3.803 -14.661 14.320 1.00 0.00 C ATOM 2527 O PRO B 51 -3.306 -14.341 13.241 1.00 0.00 O ATOM 2528 CB PRO B 51 -2.754 -14.184 16.548 1.00 0.00 C ATOM 2529 CG PRO B 51 -1.508 -13.458 16.174 1.00 0.00 C ATOM 2530 CD PRO B 51 -0.620 -14.470 15.499 1.00 0.00 C ATOM 0 HA PRO B 51 -3.450 -16.130 15.768 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -3.607 -13.507 16.602 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -2.660 -14.656 17.526 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -1.728 -12.626 15.506 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -1.022 -13.039 17.055 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -0.052 -14.023 14.683 1.00 0.00 H new ATOM 0 HD3 PRO B 51 0.103 -14.895 16.195 1.00 0.00 H new ATOM 2538 N SER B 52 -5.101 -14.543 14.582 1.00 0.00 N ATOM 2539 CA SER B 52 -6.036 -14.018 13.594 1.00 0.00 C ATOM 2540 C SER B 52 -6.589 -12.666 14.033 1.00 0.00 C ATOM 2541 O SER B 52 -7.719 -12.572 14.512 1.00 0.00 O ATOM 2542 CB SER B 52 -7.184 -15.005 13.373 1.00 0.00 C ATOM 2543 OG SER B 52 -7.413 -15.790 14.530 1.00 0.00 O ATOM 0 H SER B 52 -5.529 -14.804 15.470 1.00 0.00 H new ATOM 0 HA SER B 52 -5.497 -13.882 12.656 1.00 0.00 H new ATOM 0 HB2 SER B 52 -8.092 -14.460 13.115 1.00 0.00 H new ATOM 0 HB3 SER B 52 -6.951 -15.655 12.529 1.00 0.00 H new ATOM 0 HG SER B 52 -8.152 -16.411 14.363 1.00 0.00 H new ATOM 2549 N HIS B 53 -5.784 -11.621 13.867 1.00 0.00 N ATOM 2550 CA HIS B 53 -6.193 -10.274 14.247 1.00 0.00 C ATOM 2551 C HIS B 53 -6.469 -9.420 13.014 1.00 0.00 C ATOM 2552 O HIS B 53 -7.623 -9.166 12.668 1.00 0.00 O ATOM 2553 CB HIS B 53 -5.113 -9.614 15.108 1.00 0.00 C ATOM 2554 CG HIS B 53 -5.086 -10.112 16.519 1.00 0.00 C ATOM 2555 ND1 HIS B 53 -4.070 -9.814 17.404 1.00 0.00 N ATOM 2556 CD2 HIS B 53 -5.959 -10.891 17.201 1.00 0.00 C ATOM 2557 CE1 HIS B 53 -4.319 -10.389 18.567 1.00 0.00 C ATOM 2558 NE2 HIS B 53 -5.459 -11.048 18.470 1.00 0.00 N ATOM 0 H HIS B 53 -4.845 -11.681 13.472 1.00 0.00 H new ATOM 0 HA HIS B 53 -7.113 -10.351 14.826 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -4.139 -9.788 14.651 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -5.274 -8.536 15.115 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -6.877 -11.311 16.818 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -3.696 -10.330 19.447 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -5.897 -11.587 19.217 1.00 0.00 H new ATOM 2567 N LEU B 54 -5.403 -8.979 12.353 1.00 0.00 N ATOM 2568 CA LEU B 54 -5.532 -8.154 11.158 1.00 0.00 C ATOM 2569 C LEU B 54 -5.393 -8.999 9.896 1.00 0.00 C ATOM 2570 O LEU B 54 -6.355 -9.178 9.149 1.00 0.00 O ATOM 2571 CB LEU B 54 -4.481 -7.043 11.164 1.00 0.00 C ATOM 2572 CG LEU B 54 -4.920 -5.733 10.507 1.00 0.00 C ATOM 2573 CD1 LEU B 54 -5.845 -4.957 11.431 1.00 0.00 C ATOM 2574 CD2 LEU B 54 -3.707 -4.893 10.135 1.00 0.00 C ATOM 0 H LEU B 54 -4.441 -9.179 12.625 1.00 0.00 H new ATOM 0 HA LEU B 54 -6.525 -7.703 11.162 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -4.198 -6.837 12.196 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -3.588 -7.406 10.655 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.467 -5.970 9.595 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.147 -4.028 10.947 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -6.729 -5.557 11.649 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -5.323 -4.729 12.360 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -4.037 -3.965 9.669 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -3.133 -4.664 11.033 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -3.081 -5.448 9.436 1.00 0.00 H new ATOM 2586 N CYS B 55 -4.191 -9.518 9.665 1.00 0.00 N ATOM 2587 CA CYS B 55 -3.928 -10.346 8.493 1.00 0.00 C ATOM 2588 C CYS B 55 -4.733 -11.644 8.558 1.00 0.00 C ATOM 2589 O CYS B 55 -4.466 -12.503 9.398 1.00 0.00 O ATOM 2590 CB CYS B 55 -2.435 -10.666 8.393 1.00 0.00 C ATOM 2591 SG CYS B 55 -1.353 -9.241 8.655 1.00 0.00 S ATOM 0 H CYS B 55 -3.384 -9.380 10.274 1.00 0.00 H new ATOM 0 HA CYS B 55 -4.233 -9.789 7.607 1.00 0.00 H new ATOM 0 HB2 CYS B 55 -2.190 -11.434 9.126 1.00 0.00 H new ATOM 0 HB3 CYS B 55 -2.230 -11.088 7.409 1.00 0.00 H new ATOM 0 HG CYS B 55 -0.371 -9.580 9.437 1.00 0.00 H new ATOM 2597 N PRO B 56 -5.734 -11.806 7.673 1.00 0.00 N ATOM 2598 CA PRO B 56 -6.570 -12.997 7.642 1.00 0.00 C ATOM 2599 C PRO B 56 -6.015 -14.075 6.718 1.00 0.00 C ATOM 2600 O PRO B 56 -5.158 -13.807 5.877 1.00 0.00 O ATOM 2601 CB PRO B 56 -7.888 -12.453 7.103 1.00 0.00 C ATOM 2602 CG PRO B 56 -7.497 -11.338 6.186 1.00 0.00 C ATOM 2603 CD PRO B 56 -6.138 -10.845 6.633 1.00 0.00 C ATOM 0 HA PRO B 56 -6.647 -13.482 8.615 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -8.446 -13.224 6.572 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -8.527 -12.095 7.910 1.00 0.00 H new ATOM 0 HG2 PRO B 56 -7.460 -11.685 5.153 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -8.230 -10.533 6.226 1.00 0.00 H new ATOM 0 HD2 PRO B 56 -5.428 -10.829 5.806 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -6.191 -9.830 7.027 1.00 0.00 H new ATOM 2611 N THR B 57 -6.513 -15.294 6.883 1.00 0.00 N ATOM 2612 CA THR B 57 -6.077 -16.423 6.070 1.00 0.00 C ATOM 2613 C THR B 57 -7.198 -16.932 5.211 1.00 0.00 C ATOM 2614 O THR B 57 -8.371 -16.650 5.455 1.00 0.00 O ATOM 2615 CB THR B 57 -5.574 -17.573 6.942 1.00 0.00 C ATOM 2616 OG1 THR B 57 -4.216 -17.389 7.283 1.00 0.00 O ATOM 2617 CG2 THR B 57 -5.706 -18.952 6.301 1.00 0.00 C ATOM 0 H THR B 57 -7.223 -15.527 7.577 1.00 0.00 H new ATOM 0 HA THR B 57 -5.264 -16.063 5.439 1.00 0.00 H new ATOM 0 HB THR B 57 -6.216 -17.549 7.823 1.00 0.00 H new ATOM 0 HG1 THR B 57 -3.665 -17.443 6.474 1.00 0.00 H new ATOM 0 HG21 THR B 57 -5.326 -19.710 6.986 1.00 0.00 H new ATOM 0 HG22 THR B 57 -6.755 -19.153 6.083 1.00 0.00 H new ATOM 0 HG23 THR B 57 -5.131 -18.979 5.375 1.00 0.00 H new ATOM 2625 N ILE B 58 -6.825 -17.726 4.225 1.00 0.00 N ATOM 2626 CA ILE B 58 -7.800 -18.316 3.364 1.00 0.00 C ATOM 2627 C ILE B 58 -7.687 -19.821 3.312 1.00 0.00 C ATOM 2628 O ILE B 58 -6.748 -20.416 3.837 1.00 0.00 O ATOM 2629 CB ILE B 58 -7.699 -17.822 1.918 1.00 0.00 C ATOM 2630 CG1 ILE B 58 -6.305 -18.128 1.377 1.00 0.00 C ATOM 2631 CG2 ILE B 58 -8.034 -16.341 1.824 1.00 0.00 C ATOM 2632 CD1 ILE B 58 -5.277 -17.137 1.847 1.00 0.00 C ATOM 0 H ILE B 58 -5.858 -17.969 4.011 1.00 0.00 H new ATOM 0 HA ILE B 58 -8.753 -18.014 3.799 1.00 0.00 H new ATOM 0 HB ILE B 58 -8.430 -18.347 1.303 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -6.009 -19.130 1.689 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -6.333 -18.129 0.287 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -7.955 -16.015 0.787 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -9.051 -16.175 2.180 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -7.337 -15.771 2.438 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -4.303 -17.400 1.434 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -5.555 -16.138 1.513 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -5.226 -17.154 2.936 1.00 0.00 H new ATOM 2644 N HIS B 59 -8.620 -20.412 2.590 1.00 0.00 N ATOM 2645 CA HIS B 59 -8.615 -21.832 2.350 1.00 0.00 C ATOM 2646 C HIS B 59 -8.833 -22.033 0.870 1.00 0.00 C ATOM 2647 O HIS B 59 -9.951 -22.252 0.405 1.00 0.00 O ATOM 2648 CB HIS B 59 -9.697 -22.546 3.135 1.00 0.00 C ATOM 2649 CG HIS B 59 -9.868 -22.042 4.535 1.00 0.00 C ATOM 2650 ND1 HIS B 59 -10.999 -21.380 4.964 1.00 0.00 N ATOM 2651 CD2 HIS B 59 -9.042 -22.107 5.607 1.00 0.00 C ATOM 2652 CE1 HIS B 59 -10.861 -21.059 6.239 1.00 0.00 C ATOM 2653 NE2 HIS B 59 -9.684 -21.489 6.652 1.00 0.00 N ATOM 0 H HIS B 59 -9.399 -19.917 2.156 1.00 0.00 H new ATOM 0 HA HIS B 59 -7.664 -22.253 2.676 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -10.644 -22.443 2.605 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -9.464 -23.610 3.169 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -8.062 -22.560 5.635 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -11.588 -20.534 6.840 1.00 0.00 H new ATOM 0 HE2 HIS B 59 -9.311 -21.380 7.595 1.00 0.00 H new ATOM 2662 N ILE B 60 -7.750 -21.918 0.143 1.00 0.00 N ATOM 2663 CA ILE B 60 -7.774 -22.042 -1.301 1.00 0.00 C ATOM 2664 C ILE B 60 -7.048 -23.302 -1.758 1.00 0.00 C ATOM 2665 O ILE B 60 -6.361 -23.952 -0.971 1.00 0.00 O ATOM 2666 CB ILE B 60 -7.137 -20.793 -1.937 1.00 0.00 C ATOM 2667 CG1 ILE B 60 -5.713 -20.607 -1.408 1.00 0.00 C ATOM 2668 CG2 ILE B 60 -7.989 -19.563 -1.620 1.00 0.00 C ATOM 2669 CD1 ILE B 60 -4.724 -20.145 -2.455 1.00 0.00 C ATOM 0 H ILE B 60 -6.825 -21.736 0.531 1.00 0.00 H new ATOM 0 HA ILE B 60 -8.812 -22.122 -1.625 1.00 0.00 H new ATOM 0 HB ILE B 60 -7.092 -20.921 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE B 60 -5.730 -19.882 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE B 60 -5.367 -21.551 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE B 60 -7.536 -18.680 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE B 60 -8.992 -19.702 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE B 60 -8.047 -19.429 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE B 60 -3.739 -20.037 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE B 60 -4.675 -20.880 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE B 60 -5.045 -19.185 -2.860 1.00 0.00 H new ATOM 2681 N ASP B 61 -7.214 -23.654 -3.030 1.00 0.00 N ATOM 2682 CA ASP B 61 -6.582 -24.850 -3.582 1.00 0.00 C ATOM 2683 C ASP B 61 -5.094 -24.891 -3.259 1.00 0.00 C ATOM 2684 O ASP B 61 -4.548 -25.945 -2.932 1.00 0.00 O ATOM 2685 CB ASP B 61 -6.792 -24.914 -5.096 1.00 0.00 C ATOM 2686 CG ASP B 61 -7.006 -26.330 -5.591 1.00 0.00 C ATOM 2687 OD1 ASP B 61 -6.061 -27.141 -5.497 1.00 0.00 O ATOM 2688 OD2 ASP B 61 -8.119 -26.629 -6.073 1.00 0.00 O ATOM 0 H ASP B 61 -7.780 -23.130 -3.697 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.053 -25.717 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -7.654 -24.304 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -5.926 -24.483 -5.599 1.00 0.00 H new ATOM 2693 N GLU B 62 -4.445 -23.739 -3.345 1.00 0.00 N ATOM 2694 CA GLU B 62 -3.022 -23.644 -3.053 1.00 0.00 C ATOM 2695 C GLU B 62 -2.752 -23.886 -1.566 1.00 0.00 C ATOM 2696 O GLU B 62 -1.606 -24.080 -1.160 1.00 0.00 O ATOM 2697 CB GLU B 62 -2.495 -22.267 -3.468 1.00 0.00 C ATOM 2698 CG GLU B 62 -1.504 -22.305 -4.620 1.00 0.00 C ATOM 2699 CD GLU B 62 -1.974 -23.173 -5.772 1.00 0.00 C ATOM 2700 OE1 GLU B 62 -1.694 -24.390 -5.751 1.00 0.00 O ATOM 2701 OE2 GLU B 62 -2.621 -22.635 -6.695 1.00 0.00 O ATOM 0 H GLU B 62 -4.881 -22.857 -3.615 1.00 0.00 H new ATOM 0 HA GLU B 62 -2.501 -24.414 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -3.338 -21.636 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.018 -21.798 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -1.335 -21.291 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -0.546 -22.678 -4.257 1.00 0.00 H new ATOM 2708 N GLY B 63 -3.815 -23.871 -0.758 1.00 0.00 N ATOM 2709 CA GLY B 63 -3.670 -24.084 0.674 1.00 0.00 C ATOM 2710 C GLY B 63 -4.057 -22.857 1.482 1.00 0.00 C ATOM 2711 O GLY B 63 -4.645 -21.918 0.949 1.00 0.00 O ATOM 0 H GLY B 63 -4.773 -23.715 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -4.290 -24.927 0.978 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -2.637 -24.352 0.896 1.00 0.00 H new ATOM 2715 N ASP B 64 -3.726 -22.858 2.771 1.00 0.00 N ATOM 2716 CA ASP B 64 -4.045 -21.727 3.640 1.00 0.00 C ATOM 2717 C ASP B 64 -2.900 -20.721 3.653 1.00 0.00 C ATOM 2718 O ASP B 64 -1.748 -21.073 3.907 1.00 0.00 O ATOM 2719 CB ASP B 64 -4.332 -22.206 5.064 1.00 0.00 C ATOM 2720 CG ASP B 64 -5.270 -23.396 5.097 1.00 0.00 C ATOM 2721 OD1 ASP B 64 -6.072 -23.547 4.152 1.00 0.00 O ATOM 2722 OD2 ASP B 64 -5.203 -24.179 6.069 1.00 0.00 O ATOM 0 H ASP B 64 -3.240 -23.625 3.235 1.00 0.00 H new ATOM 0 HA ASP B 64 -4.937 -21.240 3.246 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -3.394 -22.473 5.550 1.00 0.00 H new ATOM 0 HB3 ASP B 64 -4.767 -21.388 5.638 1.00 0.00 H new ATOM 2727 N PHE B 65 -3.228 -19.470 3.359 1.00 0.00 N ATOM 2728 CA PHE B 65 -2.240 -18.398 3.312 1.00 0.00 C ATOM 2729 C PHE B 65 -2.739 -17.183 4.094 1.00 0.00 C ATOM 2730 O PHE B 65 -3.756 -17.276 4.776 1.00 0.00 O ATOM 2731 CB PHE B 65 -1.903 -18.079 1.856 1.00 0.00 C ATOM 2732 CG PHE B 65 -1.248 -19.252 1.178 1.00 0.00 C ATOM 2733 CD1 PHE B 65 -1.972 -20.403 0.931 1.00 0.00 C ATOM 2734 CD2 PHE B 65 0.088 -19.219 0.817 1.00 0.00 C ATOM 2735 CE1 PHE B 65 -1.379 -21.499 0.338 1.00 0.00 C ATOM 2736 CE2 PHE B 65 0.688 -20.312 0.218 1.00 0.00 C ATOM 2737 CZ PHE B 65 -0.047 -21.455 -0.021 1.00 0.00 C ATOM 0 H PHE B 65 -4.180 -19.170 3.148 1.00 0.00 H new ATOM 0 HA PHE B 65 -1.316 -18.715 3.795 1.00 0.00 H new ATOM 0 HB2 PHE B 65 -2.813 -17.808 1.321 1.00 0.00 H new ATOM 0 HB3 PHE B 65 -1.240 -17.215 1.815 1.00 0.00 H new ATOM 0 HD1 PHE B 65 -3.016 -20.445 1.206 1.00 0.00 H new ATOM 0 HD2 PHE B 65 0.669 -18.329 1.005 1.00 0.00 H new ATOM 0 HE1 PHE B 65 -1.958 -22.392 0.155 1.00 0.00 H new ATOM 0 HE2 PHE B 65 1.730 -20.271 -0.062 1.00 0.00 H new ATOM 0 HZ PHE B 65 0.418 -22.311 -0.487 1.00 0.00 H new ATOM 2747 N ILE B 66 -2.020 -16.059 4.042 1.00 0.00 N ATOM 2748 CA ILE B 66 -2.431 -14.884 4.806 1.00 0.00 C ATOM 2749 C ILE B 66 -2.168 -13.591 4.052 1.00 0.00 C ATOM 2750 O ILE B 66 -1.063 -13.357 3.565 1.00 0.00 O ATOM 2751 CB ILE B 66 -1.716 -14.805 6.180 1.00 0.00 C ATOM 2752 CG1 ILE B 66 -0.477 -15.698 6.203 1.00 0.00 C ATOM 2753 CG2 ILE B 66 -2.666 -15.179 7.305 1.00 0.00 C ATOM 2754 CD1 ILE B 66 0.557 -15.276 5.195 1.00 0.00 C ATOM 0 H ILE B 66 -1.170 -15.940 3.491 1.00 0.00 H new ATOM 0 HA ILE B 66 -3.504 -14.998 4.962 1.00 0.00 H new ATOM 0 HB ILE B 66 -1.394 -13.775 6.332 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -0.037 -15.678 7.200 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -0.772 -16.729 6.006 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -2.143 -15.116 8.259 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -3.513 -14.492 7.310 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -3.025 -16.197 7.154 1.00 0.00 H new ATOM 0 HD11 ILE B 66 1.416 -15.944 5.254 1.00 0.00 H new ATOM 0 HD12 ILE B 66 0.129 -15.322 4.194 1.00 0.00 H new ATOM 0 HD13 ILE B 66 0.876 -14.255 5.406 1.00 0.00 H new ATOM 2766 N MET B 67 -3.182 -12.737 3.979 1.00 0.00 N ATOM 2767 CA MET B 67 -3.029 -11.462 3.304 1.00 0.00 C ATOM 2768 C MET B 67 -2.086 -10.584 4.102 1.00 0.00 C ATOM 2769 O MET B 67 -2.413 -10.145 5.205 1.00 0.00 O ATOM 2770 CB MET B 67 -4.378 -10.764 3.140 1.00 0.00 C ATOM 2771 CG MET B 67 -5.357 -11.537 2.280 1.00 0.00 C ATOM 2772 SD MET B 67 -6.819 -10.576 1.861 1.00 0.00 S ATOM 2773 CE MET B 67 -6.485 -10.220 0.141 1.00 0.00 C ATOM 0 H MET B 67 -4.107 -12.904 4.375 1.00 0.00 H new ATOM 0 HA MET B 67 -2.617 -11.639 2.310 1.00 0.00 H new ATOM 0 HB2 MET B 67 -4.818 -10.605 4.124 1.00 0.00 H new ATOM 0 HB3 MET B 67 -4.218 -9.780 2.700 1.00 0.00 H new ATOM 0 HG2 MET B 67 -4.859 -11.852 1.363 1.00 0.00 H new ATOM 0 HG3 MET B 67 -5.660 -12.442 2.806 1.00 0.00 H new ATOM 0 HE1 MET B 67 -6.968 -9.283 -0.137 1.00 0.00 H new ATOM 0 HE2 MET B 67 -5.409 -10.133 -0.010 1.00 0.00 H new ATOM 0 HE3 MET B 67 -6.874 -11.027 -0.480 1.00 0.00 H new ATOM 2783 N LEU B 68 -0.913 -10.338 3.547 1.00 0.00 N ATOM 2784 CA LEU B 68 0.076 -9.515 4.228 1.00 0.00 C ATOM 2785 C LEU B 68 -0.380 -8.060 4.262 1.00 0.00 C ATOM 2786 O LEU B 68 0.096 -7.227 3.491 1.00 0.00 O ATOM 2787 CB LEU B 68 1.446 -9.641 3.551 1.00 0.00 C ATOM 2788 CG LEU B 68 2.638 -9.661 4.509 1.00 0.00 C ATOM 2789 CD1 LEU B 68 3.013 -11.094 4.858 1.00 0.00 C ATOM 2790 CD2 LEU B 68 3.826 -8.932 3.897 1.00 0.00 C ATOM 0 H LEU B 68 -0.622 -10.691 2.636 1.00 0.00 H new ATOM 0 HA LEU B 68 0.174 -9.870 5.254 1.00 0.00 H new ATOM 0 HB2 LEU B 68 1.459 -10.556 2.958 1.00 0.00 H new ATOM 0 HB3 LEU B 68 1.570 -8.810 2.857 1.00 0.00 H new ATOM 0 HG LEU B 68 2.354 -9.145 5.426 1.00 0.00 H new ATOM 0 HD11 LEU B 68 3.863 -11.092 5.540 1.00 0.00 H new ATOM 0 HD12 LEU B 68 2.166 -11.586 5.335 1.00 0.00 H new ATOM 0 HD13 LEU B 68 3.280 -11.632 3.948 1.00 0.00 H new ATOM 0 HD21 LEU B 68 4.665 -8.956 4.592 1.00 0.00 H new ATOM 0 HD22 LEU B 68 4.112 -9.421 2.966 1.00 0.00 H new ATOM 0 HD23 LEU B 68 3.552 -7.897 3.694 1.00 0.00 H new ATOM 2802 N THR B 69 -1.311 -7.768 5.170 1.00 0.00 N ATOM 2803 CA THR B 69 -1.846 -6.418 5.321 1.00 0.00 C ATOM 2804 C THR B 69 -0.818 -5.490 5.965 1.00 0.00 C ATOM 2805 O THR B 69 -0.978 -4.269 5.949 1.00 0.00 O ATOM 2806 CB THR B 69 -3.125 -6.445 6.164 1.00 0.00 C ATOM 2807 OG1 THR B 69 -3.112 -7.545 7.056 1.00 0.00 O ATOM 2808 CG2 THR B 69 -4.394 -6.542 5.339 1.00 0.00 C ATOM 0 H THR B 69 -1.710 -8.452 5.813 1.00 0.00 H new ATOM 0 HA THR B 69 -2.080 -6.035 4.328 1.00 0.00 H new ATOM 0 HB THR B 69 -3.133 -5.496 6.700 1.00 0.00 H new ATOM 0 HG1 THR B 69 -2.234 -7.607 7.486 1.00 0.00 H new ATOM 0 HG21 THR B 69 -5.259 -6.556 6.002 1.00 0.00 H new ATOM 0 HG22 THR B 69 -4.462 -5.682 4.673 1.00 0.00 H new ATOM 0 HG23 THR B 69 -4.375 -7.458 4.748 1.00 0.00 H new ATOM 2816 N GLN B 70 0.239 -6.073 6.528 1.00 0.00 N ATOM 2817 CA GLN B 70 1.291 -5.292 7.169 1.00 0.00 C ATOM 2818 C GLN B 70 2.356 -4.867 6.157 1.00 0.00 C ATOM 2819 O GLN B 70 3.448 -4.443 6.535 1.00 0.00 O ATOM 2820 CB GLN B 70 1.938 -6.099 8.297 1.00 0.00 C ATOM 2821 CG GLN B 70 1.255 -5.919 9.642 1.00 0.00 C ATOM 2822 CD GLN B 70 1.390 -7.138 10.533 1.00 0.00 C ATOM 2823 OE1 GLN B 70 1.038 -8.250 10.140 1.00 0.00 O ATOM 2824 NE2 GLN B 70 1.903 -6.935 11.741 1.00 0.00 N ATOM 0 H GLN B 70 0.388 -7.082 6.552 1.00 0.00 H new ATOM 0 HA GLN B 70 0.836 -4.394 7.586 1.00 0.00 H new ATOM 0 HB2 GLN B 70 1.924 -7.156 8.030 1.00 0.00 H new ATOM 0 HB3 GLN B 70 2.984 -5.807 8.388 1.00 0.00 H new ATOM 0 HG2 GLN B 70 1.682 -5.054 10.149 1.00 0.00 H new ATOM 0 HG3 GLN B 70 0.198 -5.705 9.483 1.00 0.00 H new ATOM 0 HE21 GLN B 70 2.182 -5.996 12.026 1.00 0.00 H new ATOM 0 HE22 GLN B 70 2.018 -7.718 12.384 1.00 0.00 H new ATOM 2833 N GLN B 71 2.028 -4.977 4.872 1.00 0.00 N ATOM 2834 CA GLN B 71 2.948 -4.601 3.809 1.00 0.00 C ATOM 2835 C GLN B 71 2.171 -4.293 2.533 1.00 0.00 C ATOM 2836 O GLN B 71 2.675 -4.472 1.424 1.00 0.00 O ATOM 2837 CB GLN B 71 3.959 -5.721 3.554 1.00 0.00 C ATOM 2838 CG GLN B 71 5.400 -5.239 3.499 1.00 0.00 C ATOM 2839 CD GLN B 71 5.927 -5.137 2.082 1.00 0.00 C ATOM 2840 OE1 GLN B 71 7.235 -5.305 1.923 1.00 0.00 O flip ATOM 2841 NE2 GLN B 71 5.168 -4.909 1.140 1.00 0.00 N flip ATOM 0 H GLN B 71 1.127 -5.325 4.544 1.00 0.00 H new ATOM 0 HA GLN B 71 3.492 -3.709 4.118 1.00 0.00 H new ATOM 0 HB2 GLN B 71 3.865 -6.470 4.340 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.713 -6.214 2.613 1.00 0.00 H new ATOM 0 HG2 GLN B 71 5.472 -4.264 3.980 1.00 0.00 H new ATOM 0 HG3 GLN B 71 6.030 -5.922 4.069 1.00 0.00 H new ATOM 0 HE21 GLN B 71 4.169 -4.787 1.308 1.00 0.00 H new ATOM 0 HE22 GLN B 71 5.538 -4.843 0.192 1.00 0.00 H new ATOM 2850 N MET B 72 0.935 -3.831 2.708 1.00 0.00 N ATOM 2851 CA MET B 72 0.064 -3.495 1.588 1.00 0.00 C ATOM 2852 C MET B 72 0.809 -2.675 0.539 1.00 0.00 C ATOM 2853 O MET B 72 1.543 -1.744 0.871 1.00 0.00 O ATOM 2854 CB MET B 72 -1.156 -2.727 2.098 1.00 0.00 C ATOM 2855 CG MET B 72 -2.309 -2.685 1.108 1.00 0.00 C ATOM 2856 SD MET B 72 -3.462 -4.054 1.326 1.00 0.00 S ATOM 2857 CE MET B 72 -3.886 -3.868 3.055 1.00 0.00 C ATOM 0 H MET B 72 0.513 -3.680 3.624 1.00 0.00 H new ATOM 0 HA MET B 72 -0.265 -4.420 1.115 1.00 0.00 H new ATOM 0 HB2 MET B 72 -1.501 -3.185 3.025 1.00 0.00 H new ATOM 0 HB3 MET B 72 -0.858 -1.707 2.338 1.00 0.00 H new ATOM 0 HG2 MET B 72 -2.845 -1.742 1.220 1.00 0.00 H new ATOM 0 HG3 MET B 72 -1.912 -2.707 0.093 1.00 0.00 H new ATOM 0 HE1 MET B 72 -4.947 -4.076 3.194 1.00 0.00 H new ATOM 0 HE2 MET B 72 -3.298 -4.566 3.651 1.00 0.00 H new ATOM 0 HE3 MET B 72 -3.671 -2.848 3.375 1.00 0.00 H new ATOM 2867 N THR B 73 0.628 -3.035 -0.728 1.00 0.00 N ATOM 2868 CA THR B 73 1.298 -2.339 -1.820 1.00 0.00 C ATOM 2869 C THR B 73 0.623 -2.627 -3.159 1.00 0.00 C ATOM 2870 O THR B 73 0.330 -3.778 -3.478 1.00 0.00 O ATOM 2871 CB THR B 73 2.767 -2.766 -1.879 1.00 0.00 C ATOM 2872 OG1 THR B 73 3.363 -2.347 -3.094 1.00 0.00 O ATOM 2873 CG2 THR B 73 2.962 -4.266 -1.762 1.00 0.00 C ATOM 0 H THR B 73 0.025 -3.803 -1.023 1.00 0.00 H new ATOM 0 HA THR B 73 1.232 -1.267 -1.631 1.00 0.00 H new ATOM 0 HB THR B 73 3.241 -2.288 -1.022 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.302 -2.628 -3.112 1.00 0.00 H new ATOM 0 HG21 THR B 73 4.026 -4.500 -1.811 1.00 0.00 H new ATOM 0 HG22 THR B 73 2.558 -4.612 -0.811 1.00 0.00 H new ATOM 0 HG23 THR B 73 2.443 -4.765 -2.580 1.00 0.00 H new ATOM 2881 N SER B 74 0.390 -1.577 -3.946 1.00 0.00 N ATOM 2882 CA SER B 74 -0.240 -1.730 -5.255 1.00 0.00 C ATOM 2883 C SER B 74 0.714 -2.401 -6.231 1.00 0.00 C ATOM 2884 O SER B 74 1.756 -1.847 -6.574 1.00 0.00 O ATOM 2885 CB SER B 74 -0.684 -0.374 -5.809 1.00 0.00 C ATOM 2886 OG SER B 74 0.391 0.293 -6.447 1.00 0.00 O ATOM 0 H SER B 74 0.627 -0.616 -3.701 1.00 0.00 H new ATOM 0 HA SER B 74 -1.121 -2.360 -5.132 1.00 0.00 H new ATOM 0 HB2 SER B 74 -1.500 -0.517 -6.518 1.00 0.00 H new ATOM 0 HB3 SER B 74 -1.070 0.244 -4.999 1.00 0.00 H new ATOM 0 HG SER B 74 1.214 -0.225 -6.328 1.00 0.00 H new ATOM 2892 N VAL B 75 0.344 -3.596 -6.675 1.00 0.00 N ATOM 2893 CA VAL B 75 1.158 -4.348 -7.619 1.00 0.00 C ATOM 2894 C VAL B 75 0.725 -4.025 -9.049 1.00 0.00 C ATOM 2895 O VAL B 75 -0.341 -4.446 -9.496 1.00 0.00 O ATOM 2896 CB VAL B 75 1.052 -5.865 -7.358 1.00 0.00 C ATOM 2897 CG1 VAL B 75 1.509 -6.192 -5.945 1.00 0.00 C ATOM 2898 CG2 VAL B 75 -0.363 -6.363 -7.618 1.00 0.00 C ATOM 0 H VAL B 75 -0.517 -4.065 -6.395 1.00 0.00 H new ATOM 0 HA VAL B 75 2.200 -4.056 -7.484 1.00 0.00 H new ATOM 0 HB VAL B 75 1.712 -6.385 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL B 75 1.428 -7.266 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL B 75 2.546 -5.881 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL B 75 0.881 -5.664 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL B 75 -0.412 -7.435 -7.427 1.00 0.00 H new ATOM 0 HG22 VAL B 75 -1.058 -5.845 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL B 75 -0.633 -6.166 -8.656 1.00 0.00 H new ATOM 2908 N PRO B 76 1.540 -3.242 -9.778 1.00 0.00 N ATOM 2909 CA PRO B 76 1.229 -2.833 -11.148 1.00 0.00 C ATOM 2910 C PRO B 76 0.672 -3.961 -12.010 1.00 0.00 C ATOM 2911 O PRO B 76 1.206 -5.070 -12.025 1.00 0.00 O ATOM 2912 CB PRO B 76 2.580 -2.368 -11.680 1.00 0.00 C ATOM 2913 CG PRO B 76 3.289 -1.841 -10.482 1.00 0.00 C ATOM 2914 CD PRO B 76 2.822 -2.671 -9.316 1.00 0.00 C ATOM 0 HA PRO B 76 0.448 -2.073 -11.172 1.00 0.00 H new ATOM 0 HB2 PRO B 76 3.131 -3.190 -12.138 1.00 0.00 H new ATOM 0 HB3 PRO B 76 2.463 -1.598 -12.443 1.00 0.00 H new ATOM 0 HG2 PRO B 76 4.369 -1.916 -10.605 1.00 0.00 H new ATOM 0 HG3 PRO B 76 3.059 -0.787 -10.326 1.00 0.00 H new ATOM 0 HD2 PRO B 76 3.541 -3.452 -9.068 1.00 0.00 H new ATOM 0 HD3 PRO B 76 2.689 -2.064 -8.421 1.00 0.00 H new ATOM 2922 N VAL B 77 -0.410 -3.653 -12.729 1.00 0.00 N ATOM 2923 CA VAL B 77 -1.072 -4.611 -13.618 1.00 0.00 C ATOM 2924 C VAL B 77 -0.076 -5.572 -14.262 1.00 0.00 C ATOM 2925 O VAL B 77 -0.308 -6.778 -14.324 1.00 0.00 O ATOM 2926 CB VAL B 77 -1.848 -3.879 -14.730 1.00 0.00 C ATOM 2927 CG1 VAL B 77 -0.897 -3.098 -15.627 1.00 0.00 C ATOM 2928 CG2 VAL B 77 -2.675 -4.863 -15.544 1.00 0.00 C ATOM 0 H VAL B 77 -0.852 -2.734 -12.711 1.00 0.00 H new ATOM 0 HA VAL B 77 -1.763 -5.185 -13.001 1.00 0.00 H new ATOM 0 HB VAL B 77 -2.529 -3.169 -14.261 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -1.466 -2.589 -16.405 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -0.357 -2.362 -15.031 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -0.186 -3.784 -16.088 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -3.215 -4.326 -16.324 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -2.016 -5.601 -16.001 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -3.387 -5.368 -14.891 1.00 0.00 H new ATOM 2938 N LYS B 78 1.040 -5.026 -14.733 1.00 0.00 N ATOM 2939 CA LYS B 78 2.081 -5.838 -15.364 1.00 0.00 C ATOM 2940 C LYS B 78 2.421 -7.018 -14.483 1.00 0.00 C ATOM 2941 O LYS B 78 2.363 -8.178 -14.890 1.00 0.00 O ATOM 2942 CB LYS B 78 3.371 -5.050 -15.580 1.00 0.00 C ATOM 2943 CG LYS B 78 3.434 -3.771 -14.786 1.00 0.00 C ATOM 2944 CD LYS B 78 2.693 -2.663 -15.509 1.00 0.00 C ATOM 2945 CE LYS B 78 3.645 -1.757 -16.275 1.00 0.00 C ATOM 2946 NZ LYS B 78 3.800 -0.431 -15.617 1.00 0.00 N ATOM 0 H LYS B 78 1.249 -4.029 -14.691 1.00 0.00 H new ATOM 0 HA LYS B 78 1.685 -6.158 -16.328 1.00 0.00 H new ATOM 0 HB2 LYS B 78 4.220 -5.678 -15.311 1.00 0.00 H new ATOM 0 HB3 LYS B 78 3.471 -4.816 -16.640 1.00 0.00 H new ATOM 0 HG2 LYS B 78 2.997 -3.926 -13.800 1.00 0.00 H new ATOM 0 HG3 LYS B 78 4.474 -3.482 -14.632 1.00 0.00 H new ATOM 0 HD2 LYS B 78 1.970 -3.098 -16.199 1.00 0.00 H new ATOM 0 HD3 LYS B 78 2.129 -2.072 -14.788 1.00 0.00 H new ATOM 0 HE2 LYS B 78 4.619 -2.239 -16.355 1.00 0.00 H new ATOM 0 HE3 LYS B 78 3.275 -1.617 -17.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 4.456 0.156 -16.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 2.875 0.040 -15.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 4.178 -0.562 -14.657 1.00 0.00 H new ATOM 2960 N ILE B 79 2.808 -6.673 -13.269 1.00 0.00 N ATOM 2961 CA ILE B 79 3.209 -7.632 -12.273 1.00 0.00 C ATOM 2962 C ILE B 79 2.012 -8.174 -11.470 1.00 0.00 C ATOM 2963 O ILE B 79 2.166 -8.637 -10.343 1.00 0.00 O ATOM 2964 CB ILE B 79 4.263 -7.023 -11.350 1.00 0.00 C ATOM 2965 CG1 ILE B 79 4.747 -8.054 -10.316 1.00 0.00 C ATOM 2966 CG2 ILE B 79 3.712 -5.764 -10.693 1.00 0.00 C ATOM 2967 CD1 ILE B 79 5.569 -7.432 -9.236 1.00 0.00 C ATOM 0 H ILE B 79 2.851 -5.705 -12.949 1.00 0.00 H new ATOM 0 HA ILE B 79 3.647 -8.485 -12.792 1.00 0.00 H new ATOM 0 HB ILE B 79 5.134 -6.737 -11.940 1.00 0.00 H new ATOM 0 HG12 ILE B 79 3.885 -8.552 -9.872 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.334 -8.822 -10.820 1.00 0.00 H new ATOM 0 HG21 ILE B 79 4.469 -5.335 -10.036 1.00 0.00 H new ATOM 0 HG22 ILE B 79 3.446 -5.039 -11.462 1.00 0.00 H new ATOM 0 HG23 ILE B 79 2.826 -6.016 -10.110 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.886 -8.201 -8.532 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.447 -6.957 -9.675 1.00 0.00 H new ATOM 0 HD13 ILE B 79 4.975 -6.683 -8.712 1.00 0.00 H new ATOM 2979 N LEU B 80 0.811 -8.132 -12.050 1.00 0.00 N ATOM 2980 CA LEU B 80 -0.372 -8.657 -11.363 1.00 0.00 C ATOM 2981 C LEU B 80 -0.165 -10.118 -11.029 1.00 0.00 C ATOM 2982 O LEU B 80 0.012 -10.958 -11.911 1.00 0.00 O ATOM 2983 CB LEU B 80 -1.630 -8.484 -12.210 1.00 0.00 C ATOM 2984 CG LEU B 80 -2.932 -8.453 -11.410 1.00 0.00 C ATOM 2985 CD1 LEU B 80 -2.824 -7.464 -10.257 1.00 0.00 C ATOM 2986 CD2 LEU B 80 -4.101 -8.100 -12.314 1.00 0.00 C ATOM 0 H LEU B 80 0.632 -7.747 -12.978 1.00 0.00 H new ATOM 0 HA LEU B 80 -0.510 -8.090 -10.442 1.00 0.00 H new ATOM 0 HB2 LEU B 80 -1.545 -7.558 -12.779 1.00 0.00 H new ATOM 0 HB3 LEU B 80 -1.681 -9.298 -12.933 1.00 0.00 H new ATOM 0 HG LEU B 80 -3.109 -9.445 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU B 80 -3.759 -7.454 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU B 80 -2.009 -7.762 -9.597 1.00 0.00 H new ATOM 0 HD13 LEU B 80 -2.626 -6.467 -10.650 1.00 0.00 H new ATOM 0 HD21 LEU B 80 -5.021 -8.082 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU B 80 -3.934 -7.119 -12.758 1.00 0.00 H new ATOM 0 HD23 LEU B 80 -4.188 -8.846 -13.104 1.00 0.00 H new ATOM 2998 N SER B 81 -0.164 -10.397 -9.737 1.00 0.00 N ATOM 2999 CA SER B 81 0.046 -11.739 -9.228 1.00 0.00 C ATOM 3000 C SER B 81 -0.629 -12.808 -10.094 1.00 0.00 C ATOM 3001 O SER B 81 -1.854 -12.887 -10.164 1.00 0.00 O ATOM 3002 CB SER B 81 -0.445 -11.821 -7.790 1.00 0.00 C ATOM 3003 OG SER B 81 -1.376 -10.796 -7.507 1.00 0.00 O ATOM 0 H SER B 81 -0.309 -9.696 -9.010 1.00 0.00 H new ATOM 0 HA SER B 81 1.116 -11.944 -9.262 1.00 0.00 H new ATOM 0 HB2 SER B 81 -0.907 -12.793 -7.616 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.403 -11.744 -7.109 1.00 0.00 H new ATOM 0 HG SER B 81 -1.214 -10.447 -6.606 1.00 0.00 H new ATOM 3009 N GLU B 82 0.195 -13.635 -10.741 1.00 0.00 N ATOM 3010 CA GLU B 82 -0.285 -14.719 -11.599 1.00 0.00 C ATOM 3011 C GLU B 82 -1.489 -15.414 -10.961 1.00 0.00 C ATOM 3012 O GLU B 82 -1.333 -16.246 -10.068 1.00 0.00 O ATOM 3013 CB GLU B 82 0.843 -15.738 -11.846 1.00 0.00 C ATOM 3014 CG GLU B 82 0.605 -16.618 -13.063 1.00 0.00 C ATOM 3015 CD GLU B 82 1.794 -16.647 -14.005 1.00 0.00 C ATOM 3016 OE1 GLU B 82 2.063 -15.614 -14.652 1.00 0.00 O ATOM 3017 OE2 GLU B 82 2.454 -17.704 -14.095 1.00 0.00 O ATOM 0 H GLU B 82 1.211 -13.572 -10.685 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.595 -14.294 -12.554 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.785 -15.203 -11.972 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.951 -16.370 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.382 -17.633 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.271 -16.257 -13.601 1.00 0.00 H new ATOM 3024 N PRO B 83 -2.713 -15.056 -11.395 1.00 0.00 N ATOM 3025 CA PRO B 83 -3.952 -15.622 -10.847 1.00 0.00 C ATOM 3026 C PRO B 83 -3.977 -17.147 -10.802 1.00 0.00 C ATOM 3027 O PRO B 83 -4.568 -17.791 -11.669 1.00 0.00 O ATOM 3028 CB PRO B 83 -5.028 -15.107 -11.803 1.00 0.00 C ATOM 3029 CG PRO B 83 -4.475 -13.833 -12.333 1.00 0.00 C ATOM 3030 CD PRO B 83 -2.990 -14.047 -12.440 1.00 0.00 C ATOM 0 HA PRO B 83 -4.085 -15.325 -9.807 1.00 0.00 H new ATOM 0 HB2 PRO B 83 -5.221 -15.820 -12.605 1.00 0.00 H new ATOM 0 HB3 PRO B 83 -5.974 -14.945 -11.286 1.00 0.00 H new ATOM 0 HG2 PRO B 83 -4.907 -13.593 -13.305 1.00 0.00 H new ATOM 0 HG3 PRO B 83 -4.704 -13.000 -11.668 1.00 0.00 H new ATOM 0 HD2 PRO B 83 -2.706 -14.405 -13.430 1.00 0.00 H new ATOM 0 HD3 PRO B 83 -2.437 -13.124 -12.264 1.00 0.00 H new ATOM 3038 N VAL B 84 -3.366 -17.722 -9.768 1.00 0.00 N ATOM 3039 CA VAL B 84 -3.368 -19.173 -9.604 1.00 0.00 C ATOM 3040 C VAL B 84 -4.810 -19.675 -9.566 1.00 0.00 C ATOM 3041 O VAL B 84 -5.155 -20.689 -10.173 1.00 0.00 O ATOM 3042 CB VAL B 84 -2.683 -19.618 -8.300 1.00 0.00 C ATOM 3043 CG1 VAL B 84 -1.170 -19.528 -8.424 1.00 0.00 C ATOM 3044 CG2 VAL B 84 -3.202 -18.811 -7.114 1.00 0.00 C ATOM 0 H VAL B 84 -2.868 -17.211 -9.039 1.00 0.00 H new ATOM 0 HA VAL B 84 -2.816 -19.590 -10.447 1.00 0.00 H new ATOM 0 HB VAL B 84 -2.933 -20.664 -8.119 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -0.709 -19.848 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -0.832 -20.173 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -0.883 -18.498 -8.637 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -2.704 -19.142 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -2.996 -17.753 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -4.277 -18.960 -7.015 1.00 0.00 H new ATOM 3054 N ASN B 85 -5.642 -18.932 -8.831 1.00 0.00 N ATOM 3055 CA ASN B 85 -7.059 -19.249 -8.671 1.00 0.00 C ATOM 3056 C ASN B 85 -7.869 -17.962 -8.481 1.00 0.00 C ATOM 3057 O ASN B 85 -7.462 -16.896 -8.942 1.00 0.00 O ATOM 3058 CB ASN B 85 -7.253 -20.187 -7.475 1.00 0.00 C ATOM 3059 CG ASN B 85 -8.296 -21.255 -7.742 1.00 0.00 C ATOM 3060 OD1 ASN B 85 -8.250 -21.942 -8.762 1.00 0.00 O ATOM 3061 ND2 ASN B 85 -9.244 -21.399 -6.823 1.00 0.00 N ATOM 0 H ASN B 85 -5.349 -18.093 -8.330 1.00 0.00 H new ATOM 0 HA ASN B 85 -7.415 -19.752 -9.570 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -6.303 -20.663 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -7.549 -19.604 -6.603 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -9.973 -22.101 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -9.243 -20.807 -5.992 1.00 0.00 H new ATOM 3068 N GLU B 86 -9.010 -18.059 -7.797 1.00 0.00 N ATOM 3069 CA GLU B 86 -9.856 -16.898 -7.551 1.00 0.00 C ATOM 3070 C GLU B 86 -10.603 -17.069 -6.237 1.00 0.00 C ATOM 3071 O GLU B 86 -11.258 -18.090 -6.025 1.00 0.00 O ATOM 3072 CB GLU B 86 -10.852 -16.707 -8.697 1.00 0.00 C ATOM 3073 CG GLU B 86 -10.201 -16.641 -10.069 1.00 0.00 C ATOM 3074 CD GLU B 86 -9.930 -18.014 -10.652 1.00 0.00 C ATOM 3075 OE1 GLU B 86 -10.815 -18.890 -10.544 1.00 0.00 O ATOM 3076 OE2 GLU B 86 -8.834 -18.215 -11.216 1.00 0.00 O ATOM 0 H GLU B 86 -9.367 -18.931 -7.405 1.00 0.00 H new ATOM 0 HA GLU B 86 -9.222 -16.013 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.569 -17.528 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.415 -15.789 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -10.847 -16.083 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -9.264 -16.090 -9.996 1.00 0.00 H new ATOM 3083 N LEU B 87 -10.501 -16.083 -5.345 1.00 0.00 N ATOM 3084 CA LEU B 87 -11.182 -16.191 -4.058 1.00 0.00 C ATOM 3085 C LEU B 87 -12.154 -15.050 -3.780 1.00 0.00 C ATOM 3086 O LEU B 87 -11.942 -14.205 -2.910 1.00 0.00 O ATOM 3087 CB LEU B 87 -10.199 -16.349 -2.917 1.00 0.00 C ATOM 3088 CG LEU B 87 -9.519 -15.087 -2.395 1.00 0.00 C ATOM 3089 CD1 LEU B 87 -8.267 -15.481 -1.628 1.00 0.00 C ATOM 3090 CD2 LEU B 87 -9.202 -14.129 -3.540 1.00 0.00 C ATOM 0 H LEU B 87 -9.969 -15.224 -5.484 1.00 0.00 H new ATOM 0 HA LEU B 87 -11.785 -17.097 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -10.723 -16.818 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -9.421 -17.043 -3.236 1.00 0.00 H new ATOM 0 HG LEU B 87 -10.192 -14.560 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -7.774 -14.585 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -8.540 -16.124 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -7.588 -16.017 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -8.718 -13.236 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -8.536 -14.619 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -10.126 -13.847 -4.045 1.00 0.00 H new ATOM 3102 N SER B 88 -13.239 -15.084 -4.510 1.00 0.00 N ATOM 3103 CA SER B 88 -14.325 -14.113 -4.370 1.00 0.00 C ATOM 3104 C SER B 88 -15.071 -14.342 -3.082 1.00 0.00 C ATOM 3105 O SER B 88 -15.412 -13.397 -2.389 1.00 0.00 O ATOM 3106 CB SER B 88 -15.294 -14.193 -5.542 1.00 0.00 C ATOM 3107 OG SER B 88 -14.628 -13.989 -6.776 1.00 0.00 O ATOM 0 H SER B 88 -13.407 -15.788 -5.229 1.00 0.00 H new ATOM 0 HA SER B 88 -13.879 -13.119 -4.359 1.00 0.00 H new ATOM 0 HB2 SER B 88 -15.782 -15.167 -5.547 1.00 0.00 H new ATOM 0 HB3 SER B 88 -16.077 -13.444 -5.421 1.00 0.00 H new ATOM 0 HG SER B 88 -13.835 -13.431 -6.632 1.00 0.00 H new ATOM 3113 N THR B 89 -15.314 -15.602 -2.749 1.00 0.00 N ATOM 3114 CA THR B 89 -16.007 -15.914 -1.512 1.00 0.00 C ATOM 3115 C THR B 89 -15.244 -15.301 -0.346 1.00 0.00 C ATOM 3116 O THR B 89 -15.812 -15.010 0.707 1.00 0.00 O ATOM 3117 CB THR B 89 -16.140 -17.425 -1.329 1.00 0.00 C ATOM 3118 OG1 THR B 89 -17.142 -17.717 -0.371 1.00 0.00 O ATOM 3119 CG2 THR B 89 -14.856 -18.095 -0.882 1.00 0.00 C ATOM 0 H THR B 89 -15.046 -16.411 -3.309 1.00 0.00 H new ATOM 0 HA THR B 89 -17.013 -15.495 -1.550 1.00 0.00 H new ATOM 0 HB THR B 89 -16.402 -17.818 -2.311 1.00 0.00 H new ATOM 0 HG1 THR B 89 -17.219 -18.688 -0.264 1.00 0.00 H new ATOM 0 HG21 THR B 89 -15.024 -19.166 -0.772 1.00 0.00 H new ATOM 0 HG22 THR B 89 -14.078 -17.924 -1.626 1.00 0.00 H new ATOM 0 HG23 THR B 89 -14.541 -17.677 0.074 1.00 0.00 H new ATOM 3127 N PHE B 90 -13.949 -15.089 -0.565 1.00 0.00 N ATOM 3128 CA PHE B 90 -13.089 -14.486 0.440 1.00 0.00 C ATOM 3129 C PHE B 90 -13.060 -12.969 0.268 1.00 0.00 C ATOM 3130 O PHE B 90 -12.304 -12.272 0.946 1.00 0.00 O ATOM 3131 CB PHE B 90 -11.681 -15.062 0.333 1.00 0.00 C ATOM 3132 CG PHE B 90 -11.431 -16.194 1.284 1.00 0.00 C ATOM 3133 CD1 PHE B 90 -11.548 -16.011 2.653 1.00 0.00 C ATOM 3134 CD2 PHE B 90 -11.092 -17.446 0.807 1.00 0.00 C ATOM 3135 CE1 PHE B 90 -11.327 -17.061 3.524 1.00 0.00 C ATOM 3136 CE2 PHE B 90 -10.877 -18.490 1.664 1.00 0.00 C ATOM 3137 CZ PHE B 90 -10.992 -18.304 3.027 1.00 0.00 C ATOM 0 H PHE B 90 -13.474 -15.328 -1.435 1.00 0.00 H new ATOM 0 HA PHE B 90 -13.486 -14.713 1.429 1.00 0.00 H new ATOM 0 HB2 PHE B 90 -11.514 -15.409 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE B 90 -10.956 -14.270 0.523 1.00 0.00 H new ATOM 0 HD1 PHE B 90 -11.814 -15.039 3.042 1.00 0.00 H new ATOM 0 HD2 PHE B 90 -10.996 -17.602 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE B 90 -11.416 -16.909 4.590 1.00 0.00 H new ATOM 0 HE2 PHE B 90 -10.617 -19.463 1.273 1.00 0.00 H new ATOM 0 HZ PHE B 90 -10.820 -19.129 3.703 1.00 0.00 H new ATOM 3147 N ARG B 91 -13.895 -12.468 -0.646 1.00 0.00 N ATOM 3148 CA ARG B 91 -13.985 -11.038 -0.929 1.00 0.00 C ATOM 3149 C ARG B 91 -13.939 -10.212 0.350 1.00 0.00 C ATOM 3150 O ARG B 91 -13.260 -9.187 0.405 1.00 0.00 O ATOM 3151 CB ARG B 91 -15.269 -10.730 -1.681 1.00 0.00 C ATOM 3152 CG ARG B 91 -16.429 -11.454 -1.074 1.00 0.00 C ATOM 3153 CD ARG B 91 -17.541 -11.729 -2.073 1.00 0.00 C ATOM 3154 NE ARG B 91 -18.672 -10.821 -1.899 1.00 0.00 N ATOM 3155 CZ ARG B 91 -19.646 -10.671 -2.794 1.00 0.00 C ATOM 3156 NH1 ARG B 91 -19.632 -11.367 -3.924 1.00 0.00 N ATOM 3157 NH2 ARG B 91 -20.638 -9.824 -2.557 1.00 0.00 N ATOM 0 H ARG B 91 -14.524 -13.042 -1.207 1.00 0.00 H new ATOM 0 HA ARG B 91 -13.125 -10.771 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -15.456 -9.656 -1.665 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -15.161 -11.019 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -16.082 -12.398 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -16.827 -10.865 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -17.150 -11.631 -3.086 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -17.882 -12.758 -1.961 1.00 0.00 H new ATOM 0 HE ARG B 91 -18.718 -10.270 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -18.872 -12.021 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -20.381 -11.248 -4.606 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -20.655 -9.288 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -21.385 -9.708 -3.242 1.00 0.00 H new ATOM 3171 N ASN B 92 -14.647 -10.661 1.387 1.00 0.00 N ATOM 3172 CA ASN B 92 -14.635 -9.935 2.648 1.00 0.00 C ATOM 3173 C ASN B 92 -13.215 -9.871 3.177 1.00 0.00 C ATOM 3174 O ASN B 92 -12.709 -8.799 3.481 1.00 0.00 O ATOM 3175 CB ASN B 92 -15.537 -10.575 3.696 1.00 0.00 C ATOM 3176 CG ASN B 92 -16.804 -9.778 3.931 1.00 0.00 C ATOM 3177 OD1 ASN B 92 -17.845 -10.049 3.331 1.00 0.00 O ATOM 3178 ND2 ASN B 92 -16.716 -8.786 4.810 1.00 0.00 N ATOM 0 H ASN B 92 -15.222 -11.504 1.377 1.00 0.00 H new ATOM 0 HA ASN B 92 -15.019 -8.933 2.454 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -15.799 -11.584 3.378 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -14.990 -10.668 4.634 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -17.533 -8.210 5.013 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -15.831 -8.600 5.282 1.00 0.00 H new ATOM 3185 N GLU B 93 -12.559 -11.029 3.252 1.00 0.00 N ATOM 3186 CA GLU B 93 -11.174 -11.084 3.707 1.00 0.00 C ATOM 3187 C GLU B 93 -10.397 -9.989 3.022 1.00 0.00 C ATOM 3188 O GLU B 93 -9.655 -9.228 3.642 1.00 0.00 O ATOM 3189 CB GLU B 93 -10.532 -12.413 3.327 1.00 0.00 C ATOM 3190 CG GLU B 93 -9.851 -13.119 4.487 1.00 0.00 C ATOM 3191 CD GLU B 93 -10.755 -14.127 5.168 1.00 0.00 C ATOM 3192 OE1 GLU B 93 -11.990 -14.009 5.025 1.00 0.00 O ATOM 3193 OE2 GLU B 93 -10.228 -15.036 5.844 1.00 0.00 O ATOM 0 H GLU B 93 -12.962 -11.933 3.005 1.00 0.00 H new ATOM 0 HA GLU B 93 -11.161 -10.969 4.791 1.00 0.00 H new ATOM 0 HB2 GLU B 93 -11.297 -13.070 2.913 1.00 0.00 H new ATOM 0 HB3 GLU B 93 -9.799 -12.240 2.539 1.00 0.00 H new ATOM 0 HG2 GLU B 93 -8.957 -13.626 4.124 1.00 0.00 H new ATOM 0 HG3 GLU B 93 -9.524 -12.378 5.217 1.00 0.00 H new ATOM 3200 N ILE B 94 -10.591 -9.939 1.717 1.00 0.00 N ATOM 3201 CA ILE B 94 -9.939 -8.968 0.886 1.00 0.00 C ATOM 3202 C ILE B 94 -10.348 -7.555 1.304 1.00 0.00 C ATOM 3203 O ILE B 94 -9.548 -6.621 1.260 1.00 0.00 O ATOM 3204 CB ILE B 94 -10.295 -9.204 -0.599 1.00 0.00 C ATOM 3205 CG1 ILE B 94 -9.492 -10.378 -1.159 1.00 0.00 C ATOM 3206 CG2 ILE B 94 -10.050 -7.953 -1.429 1.00 0.00 C ATOM 3207 CD1 ILE B 94 -9.619 -11.654 -0.356 1.00 0.00 C ATOM 0 H ILE B 94 -11.208 -10.575 1.212 1.00 0.00 H new ATOM 0 HA ILE B 94 -8.861 -9.075 1.009 1.00 0.00 H new ATOM 0 HB ILE B 94 -11.357 -9.444 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -9.817 -10.571 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -8.441 -10.095 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -10.309 -8.150 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -10.666 -7.138 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -8.998 -7.673 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -9.019 -12.437 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -9.266 -11.481 0.661 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -10.663 -11.965 -0.329 1.00 0.00 H new ATOM 3219 N ILE B 95 -11.612 -7.419 1.704 1.00 0.00 N ATOM 3220 CA ILE B 95 -12.158 -6.135 2.129 1.00 0.00 C ATOM 3221 C ILE B 95 -11.977 -5.912 3.630 1.00 0.00 C ATOM 3222 O ILE B 95 -11.225 -5.028 4.030 1.00 0.00 O ATOM 3223 CB ILE B 95 -13.656 -6.018 1.785 1.00 0.00 C ATOM 3224 CG1 ILE B 95 -13.903 -6.402 0.324 1.00 0.00 C ATOM 3225 CG2 ILE B 95 -14.154 -4.606 2.057 1.00 0.00 C ATOM 3226 CD1 ILE B 95 -15.168 -7.207 0.119 1.00 0.00 C ATOM 0 H ILE B 95 -12.279 -8.189 1.742 1.00 0.00 H new ATOM 0 HA ILE B 95 -11.602 -5.371 1.586 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.211 -6.709 2.420 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.957 -5.495 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.052 -6.977 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.213 -4.540 1.809 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -14.012 -4.367 3.111 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -13.593 -3.898 1.446 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -15.281 -7.445 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -15.108 -8.131 0.694 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -16.027 -6.626 0.454 1.00 0.00 H new ATOM 3238 N ALA B 96 -12.667 -6.708 4.465 1.00 0.00 N ATOM 3239 CA ALA B 96 -12.562 -6.566 5.923 1.00 0.00 C ATOM 3240 C ALA B 96 -11.146 -6.171 6.337 1.00 0.00 C ATOM 3241 O ALA B 96 -10.958 -5.247 7.125 1.00 0.00 O ATOM 3242 CB ALA B 96 -12.996 -7.849 6.616 1.00 0.00 C ATOM 0 H ALA B 96 -13.297 -7.449 4.157 1.00 0.00 H new ATOM 0 HA ALA B 96 -13.232 -5.765 6.236 1.00 0.00 H new ATOM 0 HB1 ALA B 96 -12.912 -7.726 7.696 1.00 0.00 H new ATOM 0 HB2 ALA B 96 -14.031 -8.071 6.356 1.00 0.00 H new ATOM 0 HB3 ALA B 96 -12.357 -8.671 6.294 1.00 0.00 H new ATOM 3248 N ALA B 97 -10.153 -6.837 5.752 1.00 0.00 N ATOM 3249 CA ALA B 97 -8.751 -6.510 6.008 1.00 0.00 C ATOM 3250 C ALA B 97 -8.570 -5.023 5.854 1.00 0.00 C ATOM 3251 O ALA B 97 -8.324 -4.290 6.806 1.00 0.00 O ATOM 3252 CB ALA B 97 -7.878 -7.224 4.992 1.00 0.00 C ATOM 0 H ALA B 97 -10.293 -7.607 5.097 1.00 0.00 H new ATOM 0 HA ALA B 97 -8.471 -6.822 7.014 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -6.831 -6.983 5.179 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -8.024 -8.301 5.080 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -8.151 -6.901 3.987 1.00 0.00 H new ATOM 3258 N ILE B 98 -8.747 -4.605 4.627 1.00 0.00 N ATOM 3259 CA ILE B 98 -8.665 -3.228 4.243 1.00 0.00 C ATOM 3260 C ILE B 98 -9.603 -2.379 5.096 1.00 0.00 C ATOM 3261 O ILE B 98 -9.224 -1.383 5.700 1.00 0.00 O ATOM 3262 CB ILE B 98 -9.125 -3.145 2.785 1.00 0.00 C ATOM 3263 CG1 ILE B 98 -7.969 -3.494 1.843 1.00 0.00 C ATOM 3264 CG2 ILE B 98 -9.734 -1.777 2.461 1.00 0.00 C ATOM 3265 CD1 ILE B 98 -8.051 -2.805 0.504 1.00 0.00 C ATOM 0 H ILE B 98 -8.957 -5.233 3.851 1.00 0.00 H new ATOM 0 HA ILE B 98 -7.647 -2.861 4.374 1.00 0.00 H new ATOM 0 HB ILE B 98 -9.916 -3.880 2.634 1.00 0.00 H new ATOM 0 HG12 ILE B 98 -7.027 -3.227 2.323 1.00 0.00 H new ATOM 0 HG13 ILE B 98 -7.952 -4.573 1.687 1.00 0.00 H new ATOM 0 HG21 ILE B 98 -10.049 -1.757 1.418 1.00 0.00 H new ATOM 0 HG22 ILE B 98 -10.597 -1.601 3.104 1.00 0.00 H new ATOM 0 HG23 ILE B 98 -8.991 -0.998 2.631 1.00 0.00 H new ATOM 0 HD11 ILE B 98 -7.200 -3.100 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE B 98 -8.976 -3.092 0.003 1.00 0.00 H new ATOM 0 HD13 ILE B 98 -8.037 -1.725 0.649 1.00 0.00 H new ATOM 3277 N ASP B 99 -10.851 -2.794 5.070 1.00 0.00 N ATOM 3278 CA ASP B 99 -11.943 -2.128 5.754 1.00 0.00 C ATOM 3279 C ASP B 99 -11.768 -2.006 7.271 1.00 0.00 C ATOM 3280 O ASP B 99 -12.376 -1.134 7.889 1.00 0.00 O ATOM 3281 CB ASP B 99 -13.224 -2.879 5.420 1.00 0.00 C ATOM 3282 CG ASP B 99 -14.394 -1.951 5.154 1.00 0.00 C ATOM 3283 OD1 ASP B 99 -14.286 -0.750 5.480 1.00 0.00 O ATOM 3284 OD2 ASP B 99 -15.418 -2.425 4.619 1.00 0.00 O ATOM 0 H ASP B 99 -11.144 -3.627 4.559 1.00 0.00 H new ATOM 0 HA ASP B 99 -11.973 -1.097 5.401 1.00 0.00 H new ATOM 0 HB2 ASP B 99 -13.055 -3.505 4.544 1.00 0.00 H new ATOM 0 HB3 ASP B 99 -13.475 -3.546 6.245 1.00 0.00 H new ATOM 3289 N PHE B 100 -10.963 -2.864 7.883 1.00 0.00 N ATOM 3290 CA PHE B 100 -10.766 -2.794 9.328 1.00 0.00 C ATOM 3291 C PHE B 100 -9.420 -2.178 9.647 1.00 0.00 C ATOM 3292 O PHE B 100 -9.269 -1.395 10.585 1.00 0.00 O ATOM 3293 CB PHE B 100 -10.879 -4.190 9.949 1.00 0.00 C ATOM 3294 CG PHE B 100 -10.488 -4.246 11.399 1.00 0.00 C ATOM 3295 CD1 PHE B 100 -11.255 -3.610 12.363 1.00 0.00 C ATOM 3296 CD2 PHE B 100 -9.354 -4.935 11.797 1.00 0.00 C ATOM 3297 CE1 PHE B 100 -10.897 -3.661 13.697 1.00 0.00 C ATOM 3298 CE2 PHE B 100 -8.991 -4.989 13.130 1.00 0.00 C ATOM 3299 CZ PHE B 100 -9.764 -4.351 14.081 1.00 0.00 C ATOM 0 H PHE B 100 -10.443 -3.605 7.413 1.00 0.00 H new ATOM 0 HA PHE B 100 -11.544 -2.162 9.756 1.00 0.00 H new ATOM 0 HB2 PHE B 100 -11.906 -4.540 9.846 1.00 0.00 H new ATOM 0 HB3 PHE B 100 -10.249 -4.879 9.386 1.00 0.00 H new ATOM 0 HD1 PHE B 100 -12.142 -3.069 12.068 1.00 0.00 H new ATOM 0 HD2 PHE B 100 -8.747 -5.436 11.058 1.00 0.00 H new ATOM 0 HE1 PHE B 100 -11.503 -3.162 14.439 1.00 0.00 H new ATOM 0 HE2 PHE B 100 -8.104 -5.529 13.427 1.00 0.00 H new ATOM 0 HZ PHE B 100 -9.483 -4.392 15.123 1.00 0.00 H new ATOM 3309 N LEU B 101 -8.450 -2.568 8.852 1.00 0.00 N ATOM 3310 CA LEU B 101 -7.083 -2.116 8.992 1.00 0.00 C ATOM 3311 C LEU B 101 -6.892 -0.752 8.349 1.00 0.00 C ATOM 3312 O LEU B 101 -6.171 0.102 8.865 1.00 0.00 O ATOM 3313 CB LEU B 101 -6.191 -3.158 8.319 1.00 0.00 C ATOM 3314 CG LEU B 101 -5.291 -2.660 7.179 1.00 0.00 C ATOM 3315 CD1 LEU B 101 -3.888 -2.351 7.674 1.00 0.00 C ATOM 3316 CD2 LEU B 101 -5.261 -3.673 6.040 1.00 0.00 C ATOM 0 H LEU B 101 -8.590 -3.218 8.078 1.00 0.00 H new ATOM 0 HA LEU B 101 -6.825 -2.009 10.046 1.00 0.00 H new ATOM 0 HB2 LEU B 101 -5.556 -3.607 9.083 1.00 0.00 H new ATOM 0 HB3 LEU B 101 -6.829 -3.951 7.928 1.00 0.00 H new ATOM 0 HG LEU B 101 -5.714 -1.730 6.799 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -3.277 -2.001 6.842 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -3.935 -1.577 8.440 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -3.444 -3.253 8.096 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -4.618 -3.303 5.241 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -4.873 -4.623 6.408 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -6.271 -3.818 5.656 1.00 0.00 H new ATOM 3328 N ILE B 102 -7.520 -0.579 7.198 1.00 0.00 N ATOM 3329 CA ILE B 102 -7.406 0.652 6.444 1.00 0.00 C ATOM 3330 C ILE B 102 -8.584 1.585 6.710 1.00 0.00 C ATOM 3331 O ILE B 102 -8.487 2.791 6.483 1.00 0.00 O ATOM 3332 CB ILE B 102 -7.311 0.357 4.932 1.00 0.00 C ATOM 3333 CG1 ILE B 102 -6.344 -0.806 4.687 1.00 0.00 C ATOM 3334 CG2 ILE B 102 -6.869 1.592 4.164 1.00 0.00 C ATOM 3335 CD1 ILE B 102 -6.171 -1.160 3.225 1.00 0.00 C ATOM 0 H ILE B 102 -8.118 -1.283 6.765 1.00 0.00 H new ATOM 0 HA ILE B 102 -6.494 1.149 6.773 1.00 0.00 H new ATOM 0 HB ILE B 102 -8.300 0.076 4.570 1.00 0.00 H new ATOM 0 HG12 ILE B 102 -5.371 -0.552 5.107 1.00 0.00 H new ATOM 0 HG13 ILE B 102 -6.703 -1.684 5.224 1.00 0.00 H new ATOM 0 HG21 ILE B 102 -6.810 1.358 3.101 1.00 0.00 H new ATOM 0 HG22 ILE B 102 -7.590 2.394 4.319 1.00 0.00 H new ATOM 0 HG23 ILE B 102 -5.889 1.911 4.520 1.00 0.00 H new ATOM 0 HD11 ILE B 102 -5.472 -1.992 3.132 1.00 0.00 H new ATOM 0 HD12 ILE B 102 -7.134 -1.447 2.804 1.00 0.00 H new ATOM 0 HD13 ILE B 102 -5.781 -0.297 2.685 1.00 0.00 H new ATOM 3347 N THR B 103 -9.702 1.032 7.192 1.00 0.00 N ATOM 3348 CA THR B 103 -10.877 1.854 7.474 1.00 0.00 C ATOM 3349 C THR B 103 -11.330 1.698 8.920 1.00 0.00 C ATOM 3350 O THR B 103 -11.790 2.657 9.539 1.00 0.00 O ATOM 3351 CB THR B 103 -12.017 1.511 6.509 1.00 0.00 C ATOM 3352 OG1 THR B 103 -11.649 1.816 5.176 1.00 0.00 O ATOM 3353 CG2 THR B 103 -13.304 2.252 6.808 1.00 0.00 C ATOM 0 H THR B 103 -9.815 0.038 7.391 1.00 0.00 H new ATOM 0 HA THR B 103 -10.598 2.897 7.325 1.00 0.00 H new ATOM 0 HB THR B 103 -12.194 0.444 6.640 1.00 0.00 H new ATOM 0 HG1 THR B 103 -12.387 1.589 4.573 1.00 0.00 H new ATOM 0 HG21 THR B 103 -14.067 1.961 6.086 1.00 0.00 H new ATOM 0 HG22 THR B 103 -13.642 2.003 7.814 1.00 0.00 H new ATOM 0 HG23 THR B 103 -13.130 3.326 6.739 1.00 0.00 H new ATOM 3361 N GLY B 104 -11.192 0.495 9.459 1.00 0.00 N ATOM 3362 CA GLY B 104 -11.585 0.261 10.831 1.00 0.00 C ATOM 3363 C GLY B 104 -13.060 0.524 11.074 1.00 0.00 C ATOM 3364 O GLY B 104 -13.418 1.304 11.956 1.00 0.00 O ATOM 0 H GLY B 104 -10.817 -0.319 8.972 1.00 0.00 H new ATOM 0 HA2 GLY B 104 -11.356 -0.770 11.099 1.00 0.00 H new ATOM 0 HA3 GLY B 104 -10.994 0.900 11.487 1.00 0.00 H new ATOM 3368 N ILE B 105 -13.916 -0.129 10.295 1.00 0.00 N ATOM 3369 CA ILE B 105 -15.358 0.042 10.437 1.00 0.00 C ATOM 3370 C ILE B 105 -15.997 -1.191 11.067 1.00 0.00 C ATOM 3371 O ILE B 105 -15.247 -2.103 11.475 1.00 0.00 O ATOM 3372 CB ILE B 105 -16.038 0.323 9.081 1.00 0.00 C ATOM 3373 CG1 ILE B 105 -15.414 -0.528 7.972 1.00 0.00 C ATOM 3374 CG2 ILE B 105 -15.940 1.801 8.738 1.00 0.00 C ATOM 3375 CD1 ILE B 105 -15.440 -2.014 8.259 1.00 0.00 C ATOM 3376 OXT ILE B 105 -17.243 -1.235 11.148 1.00 0.00 O ATOM 0 H ILE B 105 -13.638 -0.780 9.561 1.00 0.00 H new ATOM 0 HA ILE B 105 -15.507 0.903 11.089 1.00 0.00 H new ATOM 0 HB ILE B 105 -17.091 0.053 9.163 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -15.944 -0.338 7.038 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -14.381 -0.214 7.822 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -16.424 1.985 7.779 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -16.434 2.388 9.512 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -14.891 2.092 8.677 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -14.981 -2.553 7.430 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -14.885 -2.217 9.175 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -16.472 -2.343 8.379 1.00 0.00 H new