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: A 70 GLN : amide:sc= 0.0447 X(o=-0.047,f=-0.14) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -0.137 F(o=-0.61,f=-0.047) USER MOD Set 1.3: B 34 THR OG1 : rot -127:sc= 0.0453 USER MOD Set 2.1: B 5 THR OG1 : rot 141:sc= 2.03 USER MOD Set 2.2: B 7 TYR OH : rot -52:sc= 0.832 USER MOD Set 3.1: A 25 GLN : amide:sc= -7.98! C(o=-8.1!,f=-9.6!) USER MOD Set 3.2: A 26 SER OG : rot -2:sc= -0.0893 USER MOD Set 4.1: A 5 THR OG1 : rot 142:sc= 1.8 USER MOD Set 4.2: A 7 TYR OH : rot -34:sc= -0.466! USER MOD Single : A 2 SER OG : rot -29:sc= -1.21! USER MOD Single : A 3 GLN : amide:sc=-0.00525 X(o=-0.0052,f=-0.23) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.988 K(o=-0.99,f=-4.9!) USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.717 (180deg=-1.38!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 80:sc= 0.444 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 62:sc= -2.06! USER MOD Single : A 31 ASN : amide:sc= -3.63 K(o=-3.6,f=-13!) USER MOD Single : A 33 ASN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 130:sc= -7.19! USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -1.18 (180deg=-2.26!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 53 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.64) USER MOD Single : A 55 CYS SG : rot -30:sc= -0.397 USER MOD Single : A 57 THR OG1 : rot -81:sc= -8.38! USER MOD Single : A 59 HIS :FLIP no HE2:sc= -1.47 F(o=-2.1,f=-1.5) USER MOD Single : A 67 MET CE :methyl -126:sc= -11.9! (180deg=-20.1!) USER MOD Single : A 69 THR OG1 : rot 89:sc= -0.466 USER MOD Single : A 72 MET CE :methyl 177:sc= -4.93 (180deg=-5.08) USER MOD Single : A 73 THR OG1 : rot 45:sc= 0.517 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -84:sc= -2.26! USER MOD Single : A 85 ASN : amide:sc= -0.506 K(o=-0.51,f=-1) USER MOD Single : A 88 SER OG : rot -22:sc= 0.24 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -1.51 F(o=-2.8!,f=-1.5) USER MOD Single : A 103 THR OG1 : rot 7:sc= -0.723 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -147:sc= 0.0372 (180deg=-0.377) USER MOD Single : B 2 SER OG : rot 2:sc= -6.58! USER MOD Single : B 3 GLN :FLIP amide:sc= -2.87! F(o=-4.8,f=-2.9!) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN :FLIP amide:sc= -1.82 F(o=-3.9,f=-1.8) USER MOD Single : B 10 LYS NZ :NH3+ 134:sc= -0.749 (180deg=-1.53!) 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 14 SER OG : rot 88:sc= 0.332 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 94:sc= -2.67! USER MOD Single : B 25 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : B 26 SER OG : rot -89:sc= -0.955! USER MOD Single : B 31 ASN : amide:sc= -5.18! C(o=-5.2!,f=-16!) USER MOD Single : B 33 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.045) USER MOD Single : B 41 THR OG1 : rot 180:sc= -4.5! USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 148:sc= -1.3 (180deg=-3.6!) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= -0.0375 K(o=-0.038,f=-1.2) USER MOD Single : B 55 CYS SG : rot 180:sc= -1.35 USER MOD Single : B 57 THR OG1 : rot -65:sc= -11.1! USER MOD Single : B 59 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-4.1!) USER MOD Single : B 67 MET CE :methyl 174:sc= -7.9! (180deg=-8.38!) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : B 70 GLN : amide:sc= -0.0745 K(o=-0.074,f=-0.93) USER MOD Single : B 71 GLN :FLIP amide:sc= 0.565 F(o=-0.072,f=0.56) USER MOD Single : B 72 MET CE :methyl 139:sc= -14.4! (180deg=-17.9!) USER MOD Single : B 73 THR OG1 : rot 180:sc= -0.701! USER MOD Single : B 74 SER OG : rot -115:sc= -0.928 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 81 SER OG : rot -90:sc= -3.77! USER MOD Single : B 85 ASN :FLIP amide:sc= -2.33 F(o=-3.8,f=-2.3) USER MOD Single : B 88 SER OG : rot 180:sc= 0.12 USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -1.46 F(o=-2.8!,f=-1.5) USER MOD Single : B 103 THR OG1 : rot 61:sc= -1.95 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 4.459 7.676 14.632 1.00 0.00 N ATOM 21 CA SER A 2 4.425 7.460 13.190 1.00 0.00 C ATOM 22 C SER A 2 3.139 8.020 12.584 1.00 0.00 C ATOM 23 O SER A 2 2.222 7.266 12.267 1.00 0.00 O ATOM 24 CB SER A 2 4.543 5.959 12.873 1.00 0.00 C ATOM 25 OG SER A 2 5.710 5.692 12.112 1.00 0.00 O ATOM 0 HA SER A 2 5.272 7.986 12.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.571 5.388 13.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.662 5.629 12.323 1.00 0.00 H new ATOM 0 HG SER A 2 5.934 6.477 11.570 1.00 0.00 H new ATOM 31 N GLN A 3 3.063 9.343 12.423 1.00 0.00 N ATOM 32 CA GLN A 3 1.863 9.949 11.854 1.00 0.00 C ATOM 33 C GLN A 3 2.046 11.424 11.477 1.00 0.00 C ATOM 34 O GLN A 3 2.773 12.172 12.131 1.00 0.00 O ATOM 35 CB GLN A 3 0.699 9.817 12.838 1.00 0.00 C ATOM 36 CG GLN A 3 0.877 10.635 14.107 1.00 0.00 C ATOM 37 CD GLN A 3 0.339 9.928 15.336 1.00 0.00 C ATOM 38 OE1 GLN A 3 -0.649 9.197 15.263 1.00 0.00 O ATOM 39 NE2 GLN A 3 0.988 10.143 16.474 1.00 0.00 N ATOM 0 H GLN A 3 3.802 10.001 12.673 1.00 0.00 H new ATOM 0 HA GLN A 3 1.651 9.409 10.931 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.221 10.127 12.343 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.579 8.767 13.106 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.936 10.851 14.251 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.369 11.593 13.992 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.803 10.757 16.488 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.672 9.694 17.334 1.00 0.00 H new ATOM 48 N PHE A 4 1.328 11.817 10.428 1.00 0.00 N ATOM 49 CA PHE A 4 1.311 13.189 9.915 1.00 0.00 C ATOM 50 C PHE A 4 2.688 13.847 9.807 1.00 0.00 C ATOM 51 O PHE A 4 2.833 15.036 10.091 1.00 0.00 O ATOM 52 CB PHE A 4 0.377 14.050 10.767 1.00 0.00 C ATOM 53 CG PHE A 4 -1.075 13.709 10.573 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.562 13.383 9.316 1.00 0.00 C ATOM 55 CD2 PHE A 4 -1.951 13.703 11.647 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.891 13.058 9.132 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.284 13.381 11.470 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.754 13.057 10.211 1.00 0.00 C ATOM 0 H PHE A 4 0.730 11.182 9.900 1.00 0.00 H new ATOM 0 HA PHE A 4 0.943 13.120 8.891 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.636 13.927 11.819 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.534 15.100 10.521 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.892 13.383 8.469 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.588 13.953 12.633 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.255 12.805 8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.957 13.383 12.314 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.794 12.803 10.071 1.00 0.00 H new ATOM 68 N THR A 5 3.681 13.098 9.347 1.00 0.00 N ATOM 69 CA THR A 5 5.013 13.644 9.147 1.00 0.00 C ATOM 70 C THR A 5 5.397 13.497 7.683 1.00 0.00 C ATOM 71 O THR A 5 4.927 12.585 7.004 1.00 0.00 O ATOM 72 CB THR A 5 6.042 12.916 10.007 1.00 0.00 C ATOM 73 OG1 THR A 5 5.452 12.420 11.196 1.00 0.00 O ATOM 74 CG2 THR A 5 7.227 13.775 10.401 1.00 0.00 C ATOM 0 H THR A 5 3.588 12.111 9.106 1.00 0.00 H new ATOM 0 HA THR A 5 5.001 14.695 9.436 1.00 0.00 H new ATOM 0 HB THR A 5 6.404 12.102 9.379 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.828 11.539 11.405 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.915 13.189 11.011 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.741 14.119 9.504 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.879 14.635 10.972 1.00 0.00 H new ATOM 82 N LEU A 6 6.269 14.365 7.206 1.00 0.00 N ATOM 83 CA LEU A 6 6.728 14.280 5.831 1.00 0.00 C ATOM 84 C LEU A 6 7.926 13.356 5.788 1.00 0.00 C ATOM 85 O LEU A 6 9.068 13.817 5.747 1.00 0.00 O ATOM 86 CB LEU A 6 7.116 15.659 5.287 1.00 0.00 C ATOM 87 CG LEU A 6 7.896 15.641 3.969 1.00 0.00 C ATOM 88 CD1 LEU A 6 7.248 14.694 2.968 1.00 0.00 C ATOM 89 CD2 LEU A 6 7.998 17.043 3.393 1.00 0.00 C ATOM 0 H LEU A 6 6.672 15.132 7.745 1.00 0.00 H new ATOM 0 HA LEU A 6 5.921 13.895 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.208 16.245 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.715 16.174 6.039 1.00 0.00 H new ATOM 0 HG LEU A 6 8.903 15.278 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.820 14.698 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.232 13.685 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.228 15.020 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.555 17.012 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.998 17.434 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.515 17.691 4.101 1.00 0.00 H new ATOM 101 N TYR A 7 7.684 12.053 5.844 1.00 0.00 N ATOM 102 CA TYR A 7 8.795 11.121 5.855 1.00 0.00 C ATOM 103 C TYR A 7 9.370 10.888 4.470 1.00 0.00 C ATOM 104 O TYR A 7 8.736 10.286 3.609 1.00 0.00 O ATOM 105 CB TYR A 7 8.404 9.775 6.495 1.00 0.00 C ATOM 106 CG TYR A 7 7.527 9.860 7.724 1.00 0.00 C ATOM 107 CD1 TYR A 7 6.202 10.282 7.653 1.00 0.00 C ATOM 108 CD2 TYR A 7 8.024 9.470 8.962 1.00 0.00 C ATOM 109 CE1 TYR A 7 5.408 10.313 8.781 1.00 0.00 C ATOM 110 CE2 TYR A 7 7.235 9.506 10.094 1.00 0.00 C ATOM 111 CZ TYR A 7 5.929 9.926 9.998 1.00 0.00 C ATOM 112 OH TYR A 7 5.138 9.959 11.121 1.00 0.00 O ATOM 0 H TYR A 7 6.757 11.630 5.881 1.00 0.00 H new ATOM 0 HA TYR A 7 9.570 11.586 6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.889 9.174 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.317 9.241 6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.790 10.589 6.703 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.047 9.132 9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.381 10.640 8.711 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.641 9.206 11.049 1.00 0.00 H new ATOM 0 HH TYR A 7 4.513 10.711 11.059 1.00 0.00 H new ATOM 122 N LYS A 8 10.617 11.337 4.300 1.00 0.00 N ATOM 123 CA LYS A 8 11.348 11.162 3.052 1.00 0.00 C ATOM 124 C LYS A 8 12.282 9.976 3.156 1.00 0.00 C ATOM 125 O LYS A 8 13.126 9.932 4.041 1.00 0.00 O ATOM 126 CB LYS A 8 12.154 12.411 2.717 1.00 0.00 C ATOM 127 CG LYS A 8 13.310 12.168 1.751 1.00 0.00 C ATOM 128 CD LYS A 8 13.107 12.905 0.437 1.00 0.00 C ATOM 129 CE LYS A 8 13.384 14.393 0.579 1.00 0.00 C ATOM 130 NZ LYS A 8 13.337 15.095 -0.733 1.00 0.00 N ATOM 0 H LYS A 8 11.142 11.829 5.023 1.00 0.00 H new ATOM 0 HA LYS A 8 10.622 10.986 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.486 13.157 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.550 12.833 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.243 12.493 2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.405 11.099 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.765 12.483 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.084 12.757 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.651 14.836 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.364 14.538 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.531 16.107 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.053 14.690 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.394 14.979 -1.155 1.00 0.00 H new ATOM 144 N ASN A 9 12.117 9.028 2.240 1.00 0.00 N ATOM 145 CA ASN A 9 12.932 7.819 2.197 1.00 0.00 C ATOM 146 C ASN A 9 14.166 7.920 3.107 1.00 0.00 C ATOM 147 O ASN A 9 14.971 8.838 2.949 1.00 0.00 O ATOM 148 CB ASN A 9 13.364 7.539 0.749 1.00 0.00 C ATOM 149 CG ASN A 9 12.825 6.221 0.231 1.00 0.00 C ATOM 150 OD1 ASN A 9 13.018 5.172 0.847 1.00 0.00 O ATOM 151 ND2 ASN A 9 12.145 6.266 -0.909 1.00 0.00 N ATOM 0 H ASN A 9 11.412 9.076 1.504 1.00 0.00 H new ATOM 0 HA ASN A 9 12.324 6.994 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.017 8.348 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.452 7.531 0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.759 5.410 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.009 7.157 -1.387 1.00 0.00 H new ATOM 158 N LYS A 10 14.309 6.971 4.066 1.00 0.00 N ATOM 159 CA LYS A 10 15.463 6.957 5.007 1.00 0.00 C ATOM 160 C LYS A 10 16.715 7.425 4.304 1.00 0.00 C ATOM 161 O LYS A 10 17.646 7.956 4.908 1.00 0.00 O ATOM 162 CB LYS A 10 15.732 5.568 5.566 1.00 0.00 C ATOM 163 CG LYS A 10 14.996 4.510 4.823 1.00 0.00 C ATOM 164 CD LYS A 10 15.280 4.587 3.333 1.00 0.00 C ATOM 165 CE LYS A 10 16.388 3.632 2.920 1.00 0.00 C ATOM 166 NZ LYS A 10 16.407 3.405 1.449 1.00 0.00 N ATOM 0 H LYS A 10 13.646 6.209 4.210 1.00 0.00 H new ATOM 0 HA LYS A 10 15.203 7.625 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.802 5.362 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.443 5.539 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.284 3.529 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.925 4.617 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.372 4.353 2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.561 5.606 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.350 4.034 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.255 2.679 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.371 3.158 1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.760 2.627 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.103 4.271 0.960 1.00 0.00 H new ATOM 180 N ASP A 11 16.711 7.194 3.010 1.00 0.00 N ATOM 181 CA ASP A 11 17.788 7.539 2.159 1.00 0.00 C ATOM 182 C ASP A 11 17.309 8.582 1.152 1.00 0.00 C ATOM 183 O ASP A 11 16.755 8.240 0.108 1.00 0.00 O ATOM 184 CB ASP A 11 18.252 6.254 1.472 1.00 0.00 C ATOM 185 CG ASP A 11 19.693 5.908 1.797 1.00 0.00 C ATOM 186 OD1 ASP A 11 20.600 6.581 1.265 1.00 0.00 O ATOM 187 OD2 ASP A 11 19.913 4.964 2.585 1.00 0.00 O ATOM 0 H ASP A 11 15.932 6.749 2.525 1.00 0.00 H new ATOM 0 HA ASP A 11 18.623 7.973 2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.607 5.430 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.143 6.363 0.393 1.00 0.00 H new ATOM 192 N LYS A 12 17.498 9.859 1.487 1.00 0.00 N ATOM 193 CA LYS A 12 17.054 10.955 0.625 1.00 0.00 C ATOM 194 C LYS A 12 17.446 10.718 -0.838 1.00 0.00 C ATOM 195 O LYS A 12 16.834 11.281 -1.745 1.00 0.00 O ATOM 196 CB LYS A 12 17.610 12.295 1.133 1.00 0.00 C ATOM 197 CG LYS A 12 17.076 12.702 2.508 1.00 0.00 C ATOM 198 CD LYS A 12 18.053 12.333 3.614 1.00 0.00 C ATOM 199 CE LYS A 12 18.782 13.557 4.145 1.00 0.00 C ATOM 200 NZ LYS A 12 19.991 13.877 3.337 1.00 0.00 N ATOM 0 H LYS A 12 17.955 10.160 2.348 1.00 0.00 H new ATOM 0 HA LYS A 12 15.965 10.993 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.697 12.233 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.366 13.076 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.893 13.776 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.119 12.213 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.516 11.847 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.778 11.612 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.106 14.412 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.073 13.385 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.460 14.718 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.648 13.071 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.711 14.066 2.353 1.00 0.00 H new ATOM 214 N SER A 13 18.444 9.863 -1.068 1.00 0.00 N ATOM 215 CA SER A 13 18.872 9.543 -2.427 1.00 0.00 C ATOM 216 C SER A 13 17.718 8.907 -3.203 1.00 0.00 C ATOM 217 O SER A 13 17.565 9.124 -4.405 1.00 0.00 O ATOM 218 CB SER A 13 20.073 8.594 -2.400 1.00 0.00 C ATOM 219 OG SER A 13 20.842 8.711 -3.584 1.00 0.00 O ATOM 0 H SER A 13 18.967 9.384 -0.335 1.00 0.00 H new ATOM 0 HA SER A 13 19.169 10.466 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 13 20.697 8.816 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 13 19.726 7.567 -2.288 1.00 0.00 H new ATOM 0 HG SER A 13 21.604 8.096 -3.541 1.00 0.00 H new ATOM 225 N SER A 14 16.896 8.138 -2.490 1.00 0.00 N ATOM 226 CA SER A 14 15.728 7.478 -3.080 1.00 0.00 C ATOM 227 C SER A 14 14.844 8.480 -3.770 1.00 0.00 C ATOM 228 O SER A 14 14.118 8.147 -4.701 1.00 0.00 O ATOM 229 CB SER A 14 14.898 6.811 -1.987 1.00 0.00 C ATOM 230 OG SER A 14 15.722 6.288 -0.960 1.00 0.00 O ATOM 0 H SER A 14 17.018 7.955 -1.494 1.00 0.00 H new ATOM 0 HA SER A 14 16.091 6.741 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.202 7.535 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.300 6.009 -2.420 1.00 0.00 H new ATOM 0 HG SER A 14 15.990 7.011 -0.355 1.00 0.00 H new ATOM 236 N ALA A 15 14.877 9.697 -3.276 1.00 0.00 N ATOM 237 CA ALA A 15 14.039 10.738 -3.808 1.00 0.00 C ATOM 238 C ALA A 15 14.137 10.849 -5.323 1.00 0.00 C ATOM 239 O ALA A 15 13.195 11.311 -5.967 1.00 0.00 O ATOM 240 CB ALA A 15 14.370 12.067 -3.150 1.00 0.00 C ATOM 0 H ALA A 15 15.478 9.987 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 15 13.007 10.471 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.729 12.846 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.206 11.992 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.414 12.317 -3.341 1.00 0.00 H new ATOM 246 N LYS A 16 15.256 10.413 -5.902 1.00 0.00 N ATOM 247 CA LYS A 16 15.403 10.469 -7.352 1.00 0.00 C ATOM 248 C LYS A 16 14.154 9.872 -7.984 1.00 0.00 C ATOM 249 O LYS A 16 13.548 10.455 -8.883 1.00 0.00 O ATOM 250 CB LYS A 16 16.647 9.699 -7.800 1.00 0.00 C ATOM 251 CG LYS A 16 17.951 10.333 -7.345 1.00 0.00 C ATOM 252 CD LYS A 16 18.067 11.772 -7.822 1.00 0.00 C ATOM 253 CE LYS A 16 19.413 12.374 -7.454 1.00 0.00 C ATOM 254 NZ LYS A 16 19.320 13.842 -7.219 1.00 0.00 N ATOM 0 H LYS A 16 16.056 10.026 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 16 15.523 11.505 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.593 8.681 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.648 9.627 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.011 10.303 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.791 9.753 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.934 11.810 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.268 12.368 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.796 11.886 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.128 12.179 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.259 14.214 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.979 14.311 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.657 14.027 -6.440 1.00 0.00 H new ATOM 268 N THR A 17 13.750 8.726 -7.449 1.00 0.00 N ATOM 269 CA THR A 17 12.540 8.053 -7.887 1.00 0.00 C ATOM 270 C THR A 17 11.442 8.243 -6.845 1.00 0.00 C ATOM 271 O THR A 17 10.289 8.514 -7.180 1.00 0.00 O ATOM 272 CB THR A 17 12.789 6.563 -8.119 1.00 0.00 C ATOM 273 OG1 THR A 17 13.737 6.366 -9.153 1.00 0.00 O ATOM 274 CG2 THR A 17 11.532 5.806 -8.495 1.00 0.00 C ATOM 0 H THR A 17 14.251 8.242 -6.704 1.00 0.00 H new ATOM 0 HA THR A 17 12.226 8.493 -8.834 1.00 0.00 H new ATOM 0 HB THR A 17 13.161 6.177 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.883 5.406 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.773 4.754 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.798 5.899 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.119 6.220 -9.415 1.00 0.00 H new ATOM 282 N TYR A 18 11.815 8.074 -5.573 1.00 0.00 N ATOM 283 CA TYR A 18 10.865 8.202 -4.469 1.00 0.00 C ATOM 284 C TYR A 18 11.467 8.942 -3.289 1.00 0.00 C ATOM 285 O TYR A 18 12.352 8.414 -2.615 1.00 0.00 O ATOM 286 CB TYR A 18 10.477 6.833 -3.974 1.00 0.00 C ATOM 287 CG TYR A 18 10.021 5.885 -5.060 1.00 0.00 C ATOM 288 CD1 TYR A 18 9.107 6.291 -6.024 1.00 0.00 C ATOM 289 CD2 TYR A 18 10.506 4.584 -5.122 1.00 0.00 C ATOM 290 CE1 TYR A 18 8.687 5.427 -7.018 1.00 0.00 C ATOM 291 CE2 TYR A 18 10.091 3.715 -6.113 1.00 0.00 C ATOM 292 CZ TYR A 18 9.182 4.141 -7.058 1.00 0.00 C ATOM 293 OH TYR A 18 8.767 3.278 -8.046 1.00 0.00 O ATOM 0 H TYR A 18 12.767 7.849 -5.285 1.00 0.00 H new ATOM 0 HA TYR A 18 10.007 8.755 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.329 6.392 -3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.678 6.938 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.718 7.298 -5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.219 4.247 -4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.975 5.758 -7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.477 2.707 -6.147 1.00 0.00 H new ATOM 0 HH TYR A 18 9.212 2.412 -7.932 1.00 0.00 H new ATOM 303 N PRO A 19 11.028 10.174 -3.014 1.00 0.00 N ATOM 304 CA PRO A 19 11.566 10.952 -1.917 1.00 0.00 C ATOM 305 C PRO A 19 10.893 10.695 -0.574 1.00 0.00 C ATOM 306 O PRO A 19 11.578 10.593 0.435 1.00 0.00 O ATOM 307 CB PRO A 19 11.328 12.404 -2.346 1.00 0.00 C ATOM 308 CG PRO A 19 10.544 12.339 -3.620 1.00 0.00 C ATOM 309 CD PRO A 19 10.024 10.932 -3.751 1.00 0.00 C ATOM 0 HA PRO A 19 12.611 10.691 -1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.780 12.952 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.273 12.926 -2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.721 13.053 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.172 12.598 -4.472 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.029 10.822 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.956 10.616 -4.792 1.00 0.00 H new ATOM 317 N TYR A 20 9.560 10.638 -0.539 1.00 0.00 N ATOM 318 CA TYR A 20 8.873 10.450 0.746 1.00 0.00 C ATOM 319 C TYR A 20 7.550 9.720 0.674 1.00 0.00 C ATOM 320 O TYR A 20 7.047 9.347 -0.385 1.00 0.00 O ATOM 321 CB TYR A 20 8.586 11.795 1.434 1.00 0.00 C ATOM 322 CG TYR A 20 8.884 12.999 0.605 1.00 0.00 C ATOM 323 CD1 TYR A 20 8.510 13.062 -0.729 1.00 0.00 C ATOM 324 CD2 TYR A 20 9.558 14.065 1.164 1.00 0.00 C ATOM 325 CE1 TYR A 20 8.804 14.159 -1.499 1.00 0.00 C ATOM 326 CE2 TYR A 20 9.857 15.179 0.408 1.00 0.00 C ATOM 327 CZ TYR A 20 9.482 15.222 -0.923 1.00 0.00 C ATOM 328 OH TYR A 20 9.793 16.322 -1.675 1.00 0.00 O ATOM 0 H TYR A 20 8.950 10.716 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 20 9.576 9.835 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.536 11.822 1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.171 11.850 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.978 12.232 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.854 14.027 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.512 14.194 -2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.381 16.013 0.852 1.00 0.00 H new ATOM 0 HH TYR A 20 8.968 16.745 -1.992 1.00 0.00 H new ATOM 338 N PHE A 21 6.999 9.590 1.875 1.00 0.00 N ATOM 339 CA PHE A 21 5.716 8.987 2.132 1.00 0.00 C ATOM 340 C PHE A 21 5.157 9.621 3.393 1.00 0.00 C ATOM 341 O PHE A 21 5.869 10.339 4.096 1.00 0.00 O ATOM 342 CB PHE A 21 5.817 7.476 2.315 1.00 0.00 C ATOM 343 CG PHE A 21 7.122 6.865 1.872 1.00 0.00 C ATOM 344 CD1 PHE A 21 8.312 7.160 2.523 1.00 0.00 C ATOM 345 CD2 PHE A 21 7.152 5.989 0.801 1.00 0.00 C ATOM 346 CE1 PHE A 21 9.502 6.593 2.110 1.00 0.00 C ATOM 347 CE2 PHE A 21 8.340 5.420 0.383 1.00 0.00 C ATOM 348 CZ PHE A 21 9.516 5.723 1.038 1.00 0.00 C ATOM 0 H PHE A 21 7.460 9.918 2.724 1.00 0.00 H new ATOM 0 HA PHE A 21 5.064 9.158 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.663 7.242 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.006 7.003 1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.307 7.840 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.235 5.747 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.421 6.830 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.348 4.739 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.446 5.280 0.713 1.00 0.00 H new ATOM 358 N VAL A 22 3.894 9.383 3.675 1.00 0.00 N ATOM 359 CA VAL A 22 3.276 9.968 4.849 1.00 0.00 C ATOM 360 C VAL A 22 2.652 8.916 5.749 1.00 0.00 C ATOM 361 O VAL A 22 1.709 8.231 5.362 1.00 0.00 O ATOM 362 CB VAL A 22 2.213 10.985 4.430 1.00 0.00 C ATOM 363 CG1 VAL A 22 1.431 11.490 5.634 1.00 0.00 C ATOM 364 CG2 VAL A 22 2.860 12.143 3.689 1.00 0.00 C ATOM 0 H VAL A 22 3.278 8.794 3.114 1.00 0.00 H new ATOM 0 HA VAL A 22 4.062 10.467 5.417 1.00 0.00 H new ATOM 0 HB VAL A 22 1.510 10.488 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.683 12.211 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.936 10.652 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.113 11.969 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.094 12.861 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.585 12.632 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.366 11.768 2.799 1.00 0.00 H new ATOM 374 N ASP A 23 3.179 8.804 6.961 1.00 0.00 N ATOM 375 CA ASP A 23 2.653 7.831 7.925 1.00 0.00 C ATOM 376 C ASP A 23 1.164 8.076 8.170 1.00 0.00 C ATOM 377 O ASP A 23 0.785 9.075 8.781 1.00 0.00 O ATOM 378 CB ASP A 23 3.415 7.904 9.251 1.00 0.00 C ATOM 379 CG ASP A 23 4.649 7.024 9.255 1.00 0.00 C ATOM 380 OD1 ASP A 23 4.715 6.095 8.425 1.00 0.00 O ATOM 381 OD2 ASP A 23 5.545 7.260 10.092 1.00 0.00 O ATOM 0 H ASP A 23 3.960 9.364 7.302 1.00 0.00 H new ATOM 0 HA ASP A 23 2.788 6.835 7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.707 8.936 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.754 7.603 10.064 1.00 0.00 H new ATOM 386 N VAL A 24 0.321 7.166 7.679 1.00 0.00 N ATOM 387 CA VAL A 24 -1.125 7.304 7.839 1.00 0.00 C ATOM 388 C VAL A 24 -1.846 5.966 7.731 1.00 0.00 C ATOM 389 O VAL A 24 -1.774 5.296 6.704 1.00 0.00 O ATOM 390 CB VAL A 24 -1.696 8.286 6.795 1.00 0.00 C ATOM 391 CG1 VAL A 24 -1.190 7.934 5.402 1.00 0.00 C ATOM 392 CG2 VAL A 24 -3.220 8.316 6.835 1.00 0.00 C ATOM 0 H VAL A 24 0.613 6.331 7.171 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.296 7.697 8.841 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.345 9.287 7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.602 8.636 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.102 7.992 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.504 6.922 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.590 9.018 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.609 7.320 6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.552 8.632 7.824 1.00 0.00 H new ATOM 402 N GLN A 25 -2.569 5.622 8.801 1.00 0.00 N ATOM 403 CA GLN A 25 -3.365 4.395 8.883 1.00 0.00 C ATOM 404 C GLN A 25 -3.453 3.894 10.323 1.00 0.00 C ATOM 405 O GLN A 25 -4.378 4.248 11.054 1.00 0.00 O ATOM 406 CB GLN A 25 -2.833 3.287 7.964 1.00 0.00 C ATOM 407 CG GLN A 25 -3.626 1.993 8.048 1.00 0.00 C ATOM 408 CD GLN A 25 -3.013 0.977 8.993 1.00 0.00 C ATOM 409 OE1 GLN A 25 -3.703 0.406 9.837 1.00 0.00 O ATOM 410 NE2 GLN A 25 -1.713 0.743 8.854 1.00 0.00 N ATOM 0 H GLN A 25 -2.618 6.195 9.644 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.366 4.651 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.845 3.644 6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.793 3.083 8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.641 2.217 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.701 1.555 7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.179 1.239 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.249 0.067 9.461 1.00 0.00 H new ATOM 419 N SER A 26 -2.494 3.069 10.725 1.00 0.00 N ATOM 420 CA SER A 26 -2.480 2.523 12.086 1.00 0.00 C ATOM 421 C SER A 26 -2.072 3.559 13.111 1.00 0.00 C ATOM 422 O SER A 26 -0.885 3.727 13.384 1.00 0.00 O ATOM 423 CB SER A 26 -1.519 1.353 12.225 1.00 0.00 C ATOM 424 OG SER A 26 -2.030 0.185 11.606 1.00 0.00 O ATOM 0 H SER A 26 -1.719 2.762 10.137 1.00 0.00 H new ATOM 0 HA SER A 26 -3.503 2.194 12.269 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.560 1.613 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.335 1.156 13.281 1.00 0.00 H new ATOM 0 HG SER A 26 -2.921 0.371 11.242 1.00 0.00 H new ATOM 430 N ASP A 27 -3.040 4.221 13.723 1.00 0.00 N ATOM 431 CA ASP A 27 -2.716 5.183 14.759 1.00 0.00 C ATOM 432 C ASP A 27 -2.035 4.436 15.899 1.00 0.00 C ATOM 433 O ASP A 27 -1.176 4.978 16.595 1.00 0.00 O ATOM 434 CB ASP A 27 -3.973 5.899 15.258 1.00 0.00 C ATOM 435 CG ASP A 27 -4.208 7.217 14.547 1.00 0.00 C ATOM 436 OD1 ASP A 27 -3.659 7.402 13.441 1.00 0.00 O ATOM 437 OD2 ASP A 27 -4.942 8.066 15.097 1.00 0.00 O ATOM 0 H ASP A 27 -4.035 4.113 13.526 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.050 5.947 14.358 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.838 5.252 15.113 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.885 6.078 16.330 1.00 0.00 H new ATOM 442 N LEU A 28 -2.414 3.165 16.053 1.00 0.00 N ATOM 443 CA LEU A 28 -1.834 2.305 17.070 1.00 0.00 C ATOM 444 C LEU A 28 -0.562 1.663 16.553 1.00 0.00 C ATOM 445 O LEU A 28 0.510 1.804 17.141 1.00 0.00 O ATOM 446 CB LEU A 28 -2.833 1.231 17.504 1.00 0.00 C ATOM 447 CG LEU A 28 -4.140 1.760 18.099 1.00 0.00 C ATOM 448 CD1 LEU A 28 -3.855 2.736 19.230 1.00 0.00 C ATOM 449 CD2 LEU A 28 -4.985 2.421 17.021 1.00 0.00 C ATOM 0 H LEU A 28 -3.125 2.713 15.479 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.590 2.917 17.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.071 0.609 16.641 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.352 0.586 18.240 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.700 0.918 18.507 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.796 3.102 19.641 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.289 2.231 20.013 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.275 3.576 18.848 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.911 2.792 17.461 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.432 3.253 16.584 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.218 1.693 16.244 1.00 0.00 H new ATOM 461 N LEU A 29 -0.693 0.975 15.433 1.00 0.00 N ATOM 462 CA LEU A 29 0.434 0.317 14.793 1.00 0.00 C ATOM 463 C LEU A 29 1.144 1.288 13.857 1.00 0.00 C ATOM 464 O LEU A 29 1.596 0.910 12.776 1.00 0.00 O ATOM 465 CB LEU A 29 -0.059 -0.891 14.004 1.00 0.00 C ATOM 466 CG LEU A 29 -0.835 -1.918 14.824 1.00 0.00 C ATOM 467 CD1 LEU A 29 -1.753 -2.734 13.928 1.00 0.00 C ATOM 468 CD2 LEU A 29 0.119 -2.826 15.588 1.00 0.00 C ATOM 0 H LEU A 29 -1.579 0.856 14.942 1.00 0.00 H new ATOM 0 HA LEU A 29 1.136 -0.013 15.559 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.695 -0.541 13.191 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.799 -1.384 13.548 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.451 -1.385 15.548 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.298 -3.461 14.531 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.461 -2.070 13.432 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.159 -3.257 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.454 -3.551 16.166 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.764 -3.352 14.884 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.731 -2.226 16.262 1.00 0.00 H new ATOM 480 N ASP A 30 1.209 2.550 14.268 1.00 0.00 N ATOM 481 CA ASP A 30 1.830 3.586 13.456 1.00 0.00 C ATOM 482 C ASP A 30 3.323 3.317 13.239 1.00 0.00 C ATOM 483 O ASP A 30 3.768 3.133 12.108 1.00 0.00 O ATOM 484 CB ASP A 30 1.613 4.958 14.112 1.00 0.00 C ATOM 485 CG ASP A 30 1.887 4.950 15.605 1.00 0.00 C ATOM 486 OD1 ASP A 30 2.366 3.916 16.117 1.00 0.00 O ATOM 487 OD2 ASP A 30 1.621 5.978 16.261 1.00 0.00 O ATOM 0 H ASP A 30 0.838 2.879 15.160 1.00 0.00 H new ATOM 0 HA ASP A 30 1.357 3.579 12.474 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.262 5.691 13.633 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.586 5.280 13.938 1.00 0.00 H new ATOM 492 N ASN A 31 4.093 3.258 14.319 1.00 0.00 N ATOM 493 CA ASN A 31 5.524 2.971 14.214 1.00 0.00 C ATOM 494 C ASN A 31 5.874 1.749 15.023 1.00 0.00 C ATOM 495 O ASN A 31 7.048 1.446 15.240 1.00 0.00 O ATOM 496 CB ASN A 31 6.382 4.152 14.680 1.00 0.00 C ATOM 497 CG ASN A 31 5.814 4.841 15.908 1.00 0.00 C ATOM 498 OD1 ASN A 31 4.619 5.128 15.979 1.00 0.00 O ATOM 499 ND2 ASN A 31 6.673 5.111 16.884 1.00 0.00 N ATOM 0 H ASN A 31 3.757 3.403 15.271 1.00 0.00 H new ATOM 0 HA ASN A 31 5.738 2.791 13.161 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.390 3.799 14.900 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.468 4.876 13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.350 5.574 17.734 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.655 4.856 16.784 1.00 0.00 H new ATOM 506 N LEU A 32 4.850 1.037 15.451 1.00 0.00 N ATOM 507 CA LEU A 32 5.055 -0.180 16.222 1.00 0.00 C ATOM 508 C LEU A 32 6.054 -1.040 15.497 1.00 0.00 C ATOM 509 O LEU A 32 7.123 -1.373 16.008 1.00 0.00 O ATOM 510 CB LEU A 32 3.764 -0.973 16.350 1.00 0.00 C ATOM 511 CG LEU A 32 3.281 -1.210 17.782 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.873 -1.783 17.783 1.00 0.00 C ATOM 513 CD2 LEU A 32 4.236 -2.138 18.519 1.00 0.00 C ATOM 0 H LEU A 32 3.873 1.275 15.281 1.00 0.00 H new ATOM 0 HA LEU A 32 5.405 0.096 17.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.980 -0.450 15.802 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.901 -1.940 15.866 1.00 0.00 H new ATOM 0 HG LEU A 32 3.261 -0.252 18.302 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.547 -1.945 18.810 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.195 -1.084 17.293 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.866 -2.732 17.246 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.877 -2.296 19.536 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.287 -3.095 18.000 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.229 -1.689 18.550 1.00 0.00 H new ATOM 525 N ASN A 33 5.674 -1.381 14.280 1.00 0.00 N ATOM 526 CA ASN A 33 6.500 -2.190 13.431 1.00 0.00 C ATOM 527 C ASN A 33 6.572 -1.607 12.018 1.00 0.00 C ATOM 528 O ASN A 33 7.550 -1.826 11.308 1.00 0.00 O ATOM 529 CB ASN A 33 5.964 -3.621 13.378 1.00 0.00 C ATOM 530 CG ASN A 33 7.044 -4.631 13.042 1.00 0.00 C ATOM 531 OD1 ASN A 33 6.980 -5.308 12.016 1.00 0.00 O ATOM 532 ND2 ASN A 33 8.045 -4.737 13.909 1.00 0.00 N ATOM 0 H ASN A 33 4.786 -1.102 13.862 1.00 0.00 H new ATOM 0 HA ASN A 33 7.506 -2.200 13.850 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.519 -3.875 14.340 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.170 -3.681 12.634 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.801 -5.400 13.737 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.058 -4.156 14.747 1.00 0.00 H new ATOM 539 N THR A 34 5.527 -0.862 11.623 1.00 0.00 N ATOM 540 CA THR A 34 5.453 -0.248 10.290 1.00 0.00 C ATOM 541 C THR A 34 4.271 0.712 10.216 1.00 0.00 C ATOM 542 O THR A 34 3.493 0.827 11.163 1.00 0.00 O ATOM 543 CB THR A 34 5.268 -1.311 9.193 1.00 0.00 C ATOM 544 OG1 THR A 34 4.009 -1.946 9.329 1.00 0.00 O ATOM 545 CG2 THR A 34 6.320 -2.399 9.181 1.00 0.00 C ATOM 0 H THR A 34 4.717 -0.670 12.213 1.00 0.00 H new ATOM 0 HA THR A 34 6.391 0.283 10.128 1.00 0.00 H new ATOM 0 HB THR A 34 5.354 -0.756 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.904 -2.618 8.624 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.108 -3.102 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.302 -1.954 9.024 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.309 -2.927 10.135 1.00 0.00 H new ATOM 553 N ARG A 35 4.110 1.364 9.067 1.00 0.00 N ATOM 554 CA ARG A 35 2.984 2.267 8.857 1.00 0.00 C ATOM 555 C ARG A 35 2.612 2.354 7.385 1.00 0.00 C ATOM 556 O ARG A 35 3.453 2.174 6.505 1.00 0.00 O ATOM 557 CB ARG A 35 3.270 3.666 9.405 1.00 0.00 C ATOM 558 CG ARG A 35 2.176 4.176 10.330 1.00 0.00 C ATOM 559 CD ARG A 35 1.180 5.074 9.614 1.00 0.00 C ATOM 560 NE ARG A 35 -0.081 5.179 10.355 1.00 0.00 N ATOM 561 CZ ARG A 35 -0.532 6.299 10.928 1.00 0.00 C ATOM 562 NH1 ARG A 35 0.163 7.421 10.861 1.00 0.00 N ATOM 563 NH2 ARG A 35 -1.683 6.293 11.585 1.00 0.00 N ATOM 0 H ARG A 35 4.743 1.284 8.271 1.00 0.00 H new ATOM 0 HA ARG A 35 2.140 1.850 9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.217 3.653 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.387 4.360 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.648 3.328 10.765 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.629 4.726 11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.611 6.067 9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.985 4.680 8.617 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.654 4.339 10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.055 7.439 10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.193 8.269 11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.226 5.433 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.025 7.149 12.022 1.00 0.00 H new ATOM 577 N LEU A 36 1.348 2.660 7.131 1.00 0.00 N ATOM 578 CA LEU A 36 0.855 2.809 5.773 1.00 0.00 C ATOM 579 C LEU A 36 1.109 4.235 5.314 1.00 0.00 C ATOM 580 O LEU A 36 0.837 5.181 6.053 1.00 0.00 O ATOM 581 CB LEU A 36 -0.636 2.492 5.717 1.00 0.00 C ATOM 582 CG LEU A 36 -1.196 2.242 4.317 1.00 0.00 C ATOM 583 CD1 LEU A 36 -0.407 1.147 3.613 1.00 0.00 C ATOM 584 CD2 LEU A 36 -2.672 1.878 4.393 1.00 0.00 C ATOM 0 H LEU A 36 0.643 2.810 7.853 1.00 0.00 H new ATOM 0 HA LEU A 36 1.376 2.114 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.827 1.611 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.184 3.319 6.168 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.098 3.159 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.820 0.983 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.637 1.449 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.472 0.224 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.056 1.703 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.794 0.974 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.225 2.696 4.855 1.00 0.00 H new ATOM 596 N VAL A 37 1.659 4.401 4.118 1.00 0.00 N ATOM 597 CA VAL A 37 1.964 5.739 3.635 1.00 0.00 C ATOM 598 C VAL A 37 1.560 5.978 2.198 1.00 0.00 C ATOM 599 O VAL A 37 1.484 5.057 1.384 1.00 0.00 O ATOM 600 CB VAL A 37 3.474 6.039 3.725 1.00 0.00 C ATOM 601 CG1 VAL A 37 3.892 6.273 5.166 1.00 0.00 C ATOM 602 CG2 VAL A 37 4.287 4.910 3.102 1.00 0.00 C ATOM 0 H VAL A 37 1.898 3.644 3.478 1.00 0.00 H new ATOM 0 HA VAL A 37 1.383 6.395 4.283 1.00 0.00 H new ATOM 0 HB VAL A 37 3.673 6.951 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.961 6.483 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.341 7.121 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.675 5.383 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.349 5.143 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.081 3.979 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.012 4.800 2.053 1.00 0.00 H new ATOM 612 N ILE A 38 1.399 7.256 1.886 1.00 0.00 N ATOM 613 CA ILE A 38 1.115 7.686 0.539 1.00 0.00 C ATOM 614 C ILE A 38 2.390 8.350 0.056 1.00 0.00 C ATOM 615 O ILE A 38 2.618 9.536 0.295 1.00 0.00 O ATOM 616 CB ILE A 38 -0.053 8.691 0.467 1.00 0.00 C ATOM 617 CG1 ILE A 38 -1.085 8.406 1.562 1.00 0.00 C ATOM 618 CG2 ILE A 38 -0.701 8.639 -0.906 1.00 0.00 C ATOM 619 CD1 ILE A 38 -1.622 6.992 1.535 1.00 0.00 C ATOM 0 H ILE A 38 1.463 8.016 2.563 1.00 0.00 H new ATOM 0 HA ILE A 38 0.814 6.835 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 38 0.342 9.694 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.632 8.595 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.916 9.103 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.524 9.352 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.037 8.893 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.081 7.634 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.347 6.863 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.105 6.805 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.801 6.288 1.671 1.00 0.00 H new ATOM 631 N PRO A 39 3.276 7.564 -0.564 1.00 0.00 N ATOM 632 CA PRO A 39 4.578 8.043 -1.007 1.00 0.00 C ATOM 633 C PRO A 39 4.524 9.325 -1.837 1.00 0.00 C ATOM 634 O PRO A 39 4.202 9.287 -3.018 1.00 0.00 O ATOM 635 CB PRO A 39 5.136 6.884 -1.847 1.00 0.00 C ATOM 636 CG PRO A 39 4.026 5.891 -1.979 1.00 0.00 C ATOM 637 CD PRO A 39 3.116 6.126 -0.814 1.00 0.00 C ATOM 0 HA PRO A 39 5.196 8.310 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.463 7.235 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.004 6.436 -1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.495 6.024 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.412 4.872 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.083 5.868 -1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.404 5.530 0.052 1.00 0.00 H new ATOM 645 N LEU A 40 4.875 10.459 -1.226 1.00 0.00 N ATOM 646 CA LEU A 40 4.892 11.730 -1.950 1.00 0.00 C ATOM 647 C LEU A 40 6.052 11.755 -2.914 1.00 0.00 C ATOM 648 O LEU A 40 6.960 10.930 -2.831 1.00 0.00 O ATOM 649 CB LEU A 40 5.018 12.924 -1.005 1.00 0.00 C ATOM 650 CG LEU A 40 4.258 12.809 0.304 1.00 0.00 C ATOM 651 CD1 LEU A 40 5.224 12.685 1.472 1.00 0.00 C ATOM 652 CD2 LEU A 40 3.342 14.010 0.493 1.00 0.00 C ATOM 0 H LEU A 40 5.148 10.523 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 40 3.945 11.810 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.074 13.076 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.672 13.816 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 40 3.644 11.909 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.662 12.604 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.840 11.796 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.863 13.567 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.804 13.913 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.937 14.923 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.628 14.056 -0.329 1.00 0.00 H new ATOM 664 N THR A 41 6.023 12.707 -3.825 1.00 0.00 N ATOM 665 CA THR A 41 7.083 12.837 -4.798 1.00 0.00 C ATOM 666 C THR A 41 7.126 14.245 -5.376 1.00 0.00 C ATOM 667 O THR A 41 6.233 15.054 -5.129 1.00 0.00 O ATOM 668 CB THR A 41 6.950 11.765 -5.879 1.00 0.00 C ATOM 669 OG1 THR A 41 7.140 12.297 -7.177 1.00 0.00 O ATOM 670 CG2 THR A 41 5.620 11.036 -5.877 1.00 0.00 C ATOM 0 H THR A 41 5.278 13.399 -3.910 1.00 0.00 H new ATOM 0 HA THR A 41 8.039 12.676 -4.299 1.00 0.00 H new ATOM 0 HB THR A 41 7.735 11.051 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.791 11.749 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.611 10.294 -6.675 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.479 10.539 -4.917 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.813 11.751 -6.037 1.00 0.00 H new ATOM 678 N PRO A 42 8.196 14.576 -6.114 1.00 0.00 N ATOM 679 CA PRO A 42 8.384 15.910 -6.676 1.00 0.00 C ATOM 680 C PRO A 42 7.704 16.130 -8.006 1.00 0.00 C ATOM 681 O PRO A 42 8.030 15.502 -9.012 1.00 0.00 O ATOM 682 CB PRO A 42 9.901 15.966 -6.826 1.00 0.00 C ATOM 683 CG PRO A 42 10.243 14.585 -7.242 1.00 0.00 C ATOM 684 CD PRO A 42 9.345 13.697 -6.425 1.00 0.00 C ATOM 0 HA PRO A 42 7.944 16.684 -6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.207 16.700 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.390 16.239 -5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.075 14.441 -8.309 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.294 14.365 -7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.037 12.813 -6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.841 13.346 -5.520 1.00 0.00 H new ATOM 692 N ILE A 43 6.782 17.077 -7.996 1.00 0.00 N ATOM 693 CA ILE A 43 6.065 17.459 -9.189 1.00 0.00 C ATOM 694 C ILE A 43 7.052 17.988 -10.222 1.00 0.00 C ATOM 695 O ILE A 43 6.807 17.945 -11.425 1.00 0.00 O ATOM 696 CB ILE A 43 5.023 18.548 -8.860 1.00 0.00 C ATOM 697 CG1 ILE A 43 3.805 17.909 -8.217 1.00 0.00 C ATOM 698 CG2 ILE A 43 4.657 19.346 -10.107 1.00 0.00 C ATOM 699 CD1 ILE A 43 2.635 18.856 -8.099 1.00 0.00 C ATOM 0 H ILE A 43 6.514 17.598 -7.161 1.00 0.00 H new ATOM 0 HA ILE A 43 5.546 16.588 -9.589 1.00 0.00 H new ATOM 0 HB ILE A 43 5.452 19.254 -8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.505 17.041 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.073 17.546 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.921 20.107 -9.849 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.550 19.826 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.238 18.676 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.796 18.341 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.920 19.713 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.343 19.199 -9.092 1.00 0.00 H new ATOM 711 N GLU A 44 8.165 18.499 -9.718 1.00 0.00 N ATOM 712 CA GLU A 44 9.213 19.064 -10.545 1.00 0.00 C ATOM 713 C GLU A 44 10.109 17.988 -11.145 1.00 0.00 C ATOM 714 O GLU A 44 10.158 17.813 -12.363 1.00 0.00 O ATOM 715 CB GLU A 44 10.043 20.000 -9.681 1.00 0.00 C ATOM 716 CG GLU A 44 10.990 20.884 -10.474 1.00 0.00 C ATOM 717 CD GLU A 44 11.833 21.778 -9.587 1.00 0.00 C ATOM 718 OE1 GLU A 44 11.333 22.204 -8.525 1.00 0.00 O ATOM 719 OE2 GLU A 44 12.994 22.054 -9.955 1.00 0.00 O ATOM 0 H GLU A 44 8.365 18.532 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 44 8.754 19.600 -11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.373 20.632 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.621 19.408 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.645 20.257 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.414 21.501 -11.163 1.00 0.00 H new ATOM 726 N LEU A 45 10.821 17.276 -10.282 1.00 0.00 N ATOM 727 CA LEU A 45 11.722 16.223 -10.724 1.00 0.00 C ATOM 728 C LEU A 45 10.940 15.108 -11.421 1.00 0.00 C ATOM 729 O LEU A 45 11.464 14.426 -12.301 1.00 0.00 O ATOM 730 CB LEU A 45 12.541 15.707 -9.524 1.00 0.00 C ATOM 731 CG LEU A 45 12.581 14.191 -9.317 1.00 0.00 C ATOM 732 CD1 LEU A 45 13.193 13.497 -10.526 1.00 0.00 C ATOM 733 CD2 LEU A 45 13.367 13.851 -8.058 1.00 0.00 C ATOM 0 H LEU A 45 10.791 17.409 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 45 12.424 16.621 -11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.566 16.062 -9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.141 16.163 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 45 11.558 13.834 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.211 12.420 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.596 13.715 -11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.210 13.858 -10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.388 12.770 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.387 14.224 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.890 14.316 -7.195 1.00 0.00 H new ATOM 745 N LEU A 46 9.675 14.943 -11.042 1.00 0.00 N ATOM 746 CA LEU A 46 8.827 13.925 -11.653 1.00 0.00 C ATOM 747 C LEU A 46 7.970 14.527 -12.766 1.00 0.00 C ATOM 748 O LEU A 46 6.884 14.030 -13.063 1.00 0.00 O ATOM 749 CB LEU A 46 7.929 13.269 -10.600 1.00 0.00 C ATOM 750 CG LEU A 46 7.672 11.771 -10.799 1.00 0.00 C ATOM 751 CD1 LEU A 46 6.538 11.298 -9.900 1.00 0.00 C ATOM 752 CD2 LEU A 46 7.357 11.466 -12.258 1.00 0.00 C ATOM 0 H LEU A 46 9.217 15.498 -10.319 1.00 0.00 H new ATOM 0 HA LEU A 46 9.476 13.164 -12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.381 13.416 -9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.970 13.787 -10.591 1.00 0.00 H new ATOM 0 HG LEU A 46 8.579 11.232 -10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.371 10.232 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.802 11.475 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.628 11.847 -10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.178 10.397 -12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.468 12.018 -12.561 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.200 11.764 -12.882 1.00 0.00 H new ATOM 764 N ASP A 47 8.467 15.600 -13.380 1.00 0.00 N ATOM 765 CA ASP A 47 7.750 16.270 -14.462 1.00 0.00 C ATOM 766 C ASP A 47 6.567 17.043 -13.943 1.00 0.00 C ATOM 767 O ASP A 47 5.622 16.491 -13.380 1.00 0.00 O ATOM 768 CB ASP A 47 7.289 15.279 -15.526 1.00 0.00 C ATOM 769 CG ASP A 47 8.273 14.145 -15.741 1.00 0.00 C ATOM 770 OD1 ASP A 47 9.217 14.322 -16.540 1.00 0.00 O ATOM 771 OD2 ASP A 47 8.100 13.081 -15.111 1.00 0.00 O ATOM 0 H ASP A 47 9.365 16.024 -13.146 1.00 0.00 H new ATOM 0 HA ASP A 47 8.452 16.969 -14.918 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.323 14.865 -15.236 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.140 15.808 -16.468 1.00 0.00 H new ATOM 776 N LYS A 48 6.647 18.337 -14.152 1.00 0.00 N ATOM 777 CA LYS A 48 5.618 19.255 -13.735 1.00 0.00 C ATOM 778 C LYS A 48 4.328 19.027 -14.518 1.00 0.00 C ATOM 779 O LYS A 48 3.233 19.298 -14.025 1.00 0.00 O ATOM 780 CB LYS A 48 6.131 20.670 -13.942 1.00 0.00 C ATOM 781 CG LYS A 48 5.860 21.603 -12.771 1.00 0.00 C ATOM 782 CD LYS A 48 7.084 21.759 -11.884 1.00 0.00 C ATOM 783 CE LYS A 48 8.265 22.327 -12.655 1.00 0.00 C ATOM 784 NZ LYS A 48 9.050 23.293 -11.838 1.00 0.00 N ATOM 0 H LYS A 48 7.436 18.783 -14.620 1.00 0.00 H new ATOM 0 HA LYS A 48 5.386 19.093 -12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.205 20.633 -14.123 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.670 21.085 -14.838 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.555 22.580 -13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.030 21.215 -12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.846 22.415 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.355 20.791 -11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.914 21.512 -12.977 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.905 22.823 -13.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.035 23.309 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.637 24.243 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.027 23.003 -10.840 1.00 0.00 H new ATOM 798 N LYS A 49 4.468 18.525 -15.740 1.00 0.00 N ATOM 799 CA LYS A 49 3.320 18.256 -16.597 1.00 0.00 C ATOM 800 C LYS A 49 2.411 17.197 -15.978 1.00 0.00 C ATOM 801 O LYS A 49 1.203 17.186 -16.216 1.00 0.00 O ATOM 802 CB LYS A 49 3.789 17.795 -17.978 1.00 0.00 C ATOM 803 CG LYS A 49 4.883 16.740 -17.928 1.00 0.00 C ATOM 804 CD LYS A 49 5.069 16.067 -19.278 1.00 0.00 C ATOM 805 CE LYS A 49 3.905 15.146 -19.606 1.00 0.00 C ATOM 806 NZ LYS A 49 3.556 15.185 -21.053 1.00 0.00 N ATOM 0 H LYS A 49 5.369 18.296 -16.160 1.00 0.00 H new ATOM 0 HA LYS A 49 2.751 19.180 -16.700 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.936 17.397 -18.528 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.153 18.658 -18.536 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.821 17.201 -17.618 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.633 15.990 -17.178 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.164 16.826 -20.054 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.997 15.496 -19.276 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.159 14.125 -19.321 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.036 15.435 -19.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.758 14.544 -21.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.289 16.154 -21.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.377 14.885 -21.616 1.00 0.00 H new ATOM 820 N ALA A 50 3.001 16.308 -15.184 1.00 0.00 N ATOM 821 CA ALA A 50 2.246 15.243 -14.532 1.00 0.00 C ATOM 822 C ALA A 50 1.096 15.808 -13.698 1.00 0.00 C ATOM 823 O ALA A 50 1.323 16.431 -12.661 1.00 0.00 O ATOM 824 CB ALA A 50 3.168 14.406 -13.659 1.00 0.00 C ATOM 0 H ALA A 50 4.000 16.304 -14.977 1.00 0.00 H new ATOM 0 HA ALA A 50 1.817 14.609 -15.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.594 13.614 -13.178 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.950 13.963 -14.276 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.622 15.040 -12.897 1.00 0.00 H new ATOM 830 N PRO A 51 -0.159 15.596 -14.137 1.00 0.00 N ATOM 831 CA PRO A 51 -1.339 16.090 -13.418 1.00 0.00 C ATOM 832 C PRO A 51 -1.556 15.362 -12.095 1.00 0.00 C ATOM 833 O PRO A 51 -0.878 14.377 -11.800 1.00 0.00 O ATOM 834 CB PRO A 51 -2.492 15.803 -14.381 1.00 0.00 C ATOM 835 CG PRO A 51 -2.012 14.670 -15.220 1.00 0.00 C ATOM 836 CD PRO A 51 -0.528 14.862 -15.362 1.00 0.00 C ATOM 0 HA PRO A 51 -1.242 17.143 -13.153 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.402 15.539 -13.842 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.725 16.676 -14.991 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.239 13.713 -14.750 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.501 14.671 -16.194 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.004 13.909 -15.432 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.280 15.428 -16.260 1.00 0.00 H new ATOM 844 N SER A 52 -2.502 15.853 -11.302 1.00 0.00 N ATOM 845 CA SER A 52 -2.806 15.247 -10.010 1.00 0.00 C ATOM 846 C SER A 52 -3.983 14.282 -10.121 1.00 0.00 C ATOM 847 O SER A 52 -3.796 13.067 -10.185 1.00 0.00 O ATOM 848 CB SER A 52 -3.112 16.332 -8.975 1.00 0.00 C ATOM 849 OG SER A 52 -3.748 17.446 -9.576 1.00 0.00 O ATOM 0 H SER A 52 -3.071 16.668 -11.530 1.00 0.00 H new ATOM 0 HA SER A 52 -1.931 14.683 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.751 15.923 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.187 16.653 -8.495 1.00 0.00 H new ATOM 0 HG SER A 52 -3.934 18.124 -8.893 1.00 0.00 H new ATOM 855 N HIS A 53 -5.196 14.831 -10.142 1.00 0.00 N ATOM 856 CA HIS A 53 -6.406 14.020 -10.243 1.00 0.00 C ATOM 857 C HIS A 53 -6.566 13.123 -9.017 1.00 0.00 C ATOM 858 O HIS A 53 -7.363 13.414 -8.125 1.00 0.00 O ATOM 859 CB HIS A 53 -6.377 13.173 -11.520 1.00 0.00 C ATOM 860 CG HIS A 53 -7.586 12.307 -11.693 1.00 0.00 C ATOM 861 ND1 HIS A 53 -8.781 12.545 -11.048 1.00 0.00 N ATOM 862 CD2 HIS A 53 -7.781 11.197 -12.444 1.00 0.00 C ATOM 863 CE1 HIS A 53 -9.658 11.619 -11.394 1.00 0.00 C ATOM 864 NE2 HIS A 53 -9.076 10.790 -12.241 1.00 0.00 N ATOM 0 H HIS A 53 -5.366 15.835 -10.090 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.262 14.693 -10.287 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.287 13.834 -12.382 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.488 12.543 -11.508 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.053 10.721 -13.084 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.677 11.552 -11.044 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.517 9.979 -12.674 1.00 0.00 H new ATOM 873 N LEU A 54 -5.804 12.035 -8.978 1.00 0.00 N ATOM 874 CA LEU A 54 -5.862 11.100 -7.860 1.00 0.00 C ATOM 875 C LEU A 54 -4.593 11.193 -7.017 1.00 0.00 C ATOM 876 O LEU A 54 -3.853 10.221 -6.877 1.00 0.00 O ATOM 877 CB LEU A 54 -6.056 9.668 -8.377 1.00 0.00 C ATOM 878 CG LEU A 54 -6.208 8.573 -7.307 1.00 0.00 C ATOM 879 CD1 LEU A 54 -4.933 7.751 -7.197 1.00 0.00 C ATOM 880 CD2 LEU A 54 -6.578 9.165 -5.951 1.00 0.00 C ATOM 0 H LEU A 54 -5.139 11.779 -9.708 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.712 11.364 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.941 9.651 -9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.205 9.414 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.021 7.918 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.060 6.982 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.720 7.280 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.103 8.402 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.677 8.364 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.798 9.855 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.524 9.700 -6.034 1.00 0.00 H new ATOM 892 N CYS A 55 -4.350 12.377 -6.460 1.00 0.00 N ATOM 893 CA CYS A 55 -3.172 12.616 -5.628 1.00 0.00 C ATOM 894 C CYS A 55 -3.016 14.108 -5.338 1.00 0.00 C ATOM 895 O CYS A 55 -2.945 14.919 -6.262 1.00 0.00 O ATOM 896 CB CYS A 55 -1.908 12.089 -6.315 1.00 0.00 C ATOM 897 SG CYS A 55 -1.802 12.487 -8.075 1.00 0.00 S ATOM 0 H CYS A 55 -4.956 13.190 -6.570 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.310 12.083 -4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.034 12.499 -5.808 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.867 11.006 -6.195 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.000 12.570 -8.574 1.00 0.00 H new ATOM 903 N PRO A 56 -2.963 14.499 -4.051 1.00 0.00 N ATOM 904 CA PRO A 56 -2.818 15.891 -3.659 1.00 0.00 C ATOM 905 C PRO A 56 -1.360 16.295 -3.481 1.00 0.00 C ATOM 906 O PRO A 56 -0.528 15.491 -3.061 1.00 0.00 O ATOM 907 CB PRO A 56 -3.555 15.931 -2.325 1.00 0.00 C ATOM 908 CG PRO A 56 -3.360 14.570 -1.733 1.00 0.00 C ATOM 909 CD PRO A 56 -3.040 13.623 -2.870 1.00 0.00 C ATOM 0 HA PRO A 56 -3.206 16.582 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.151 16.706 -1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.613 16.152 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.550 14.581 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.259 14.248 -1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.100 13.098 -2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.813 12.863 -2.986 1.00 0.00 H new ATOM 917 N THR A 57 -1.058 17.546 -3.803 1.00 0.00 N ATOM 918 CA THR A 57 0.300 18.062 -3.682 1.00 0.00 C ATOM 919 C THR A 57 0.550 18.629 -2.314 1.00 0.00 C ATOM 920 O THR A 57 -0.374 18.930 -1.558 1.00 0.00 O ATOM 921 CB THR A 57 0.581 19.144 -4.729 1.00 0.00 C ATOM 922 OG1 THR A 57 1.098 18.572 -5.916 1.00 0.00 O ATOM 923 CG2 THR A 57 1.559 20.226 -4.278 1.00 0.00 C ATOM 0 H THR A 57 -1.736 18.224 -4.151 1.00 0.00 H new ATOM 0 HA THR A 57 0.971 17.220 -3.849 1.00 0.00 H new ATOM 0 HB THR A 57 -0.387 19.617 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.056 18.398 -5.805 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.698 20.949 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.161 20.733 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.517 19.770 -4.030 1.00 0.00 H new ATOM 931 N ILE A 58 1.822 18.813 -2.028 1.00 0.00 N ATOM 932 CA ILE A 58 2.223 19.393 -0.780 1.00 0.00 C ATOM 933 C ILE A 58 3.114 20.605 -1.017 1.00 0.00 C ATOM 934 O ILE A 58 3.843 20.665 -2.005 1.00 0.00 O ATOM 935 CB ILE A 58 2.909 18.356 0.131 1.00 0.00 C ATOM 936 CG1 ILE A 58 1.961 17.147 0.308 1.00 0.00 C ATOM 937 CG2 ILE A 58 3.354 18.980 1.451 1.00 0.00 C ATOM 938 CD1 ILE A 58 1.618 16.770 1.737 1.00 0.00 C ATOM 0 H ILE A 58 2.592 18.566 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 58 1.326 19.729 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 58 3.827 17.997 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.033 17.358 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.415 16.282 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.834 18.221 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.061 19.786 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.486 19.379 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.948 15.910 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.531 16.518 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.128 17.611 2.228 1.00 0.00 H new ATOM 950 N HIS A 59 3.041 21.574 -0.112 1.00 0.00 N ATOM 951 CA HIS A 59 3.829 22.787 -0.233 1.00 0.00 C ATOM 952 C HIS A 59 4.606 23.045 1.035 1.00 0.00 C ATOM 953 O HIS A 59 4.148 23.732 1.948 1.00 0.00 O ATOM 954 CB HIS A 59 2.952 23.988 -0.550 1.00 0.00 C ATOM 955 CG HIS A 59 1.646 23.997 0.183 1.00 0.00 C ATOM 956 ND1 HIS A 59 1.359 24.259 1.481 1.00 0.00 N flip ATOM 957 CD2 HIS A 59 0.440 23.712 -0.423 1.00 0.00 C flip ATOM 958 CE1 HIS A 59 0.001 24.128 1.632 1.00 0.00 C flip ATOM 959 NE2 HIS A 59 -0.531 23.799 0.470 1.00 0.00 N flip ATOM 0 H HIS A 59 2.442 21.540 0.713 1.00 0.00 H new ATOM 0 HA HIS A 59 4.527 22.643 -1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.499 24.899 -0.308 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.756 24.009 -1.622 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.028 24.507 2.210 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.309 23.458 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.544 24.271 2.553 1.00 0.00 H new ATOM 968 N ILE A 60 5.785 22.479 1.067 1.00 0.00 N ATOM 969 CA ILE A 60 6.678 22.610 2.201 1.00 0.00 C ATOM 970 C ILE A 60 7.880 23.477 1.831 1.00 0.00 C ATOM 971 O ILE A 60 7.869 24.152 0.802 1.00 0.00 O ATOM 972 CB ILE A 60 7.143 21.223 2.677 1.00 0.00 C ATOM 973 CG1 ILE A 60 7.893 20.505 1.556 1.00 0.00 C ATOM 974 CG2 ILE A 60 5.939 20.401 3.125 1.00 0.00 C ATOM 975 CD1 ILE A 60 9.033 19.642 2.045 1.00 0.00 C ATOM 0 H ILE A 60 6.159 21.911 0.307 1.00 0.00 H new ATOM 0 HA ILE A 60 6.139 23.094 3.016 1.00 0.00 H new ATOM 0 HB ILE A 60 7.821 21.344 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.191 19.884 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.283 21.246 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.273 19.420 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.434 20.913 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.248 20.283 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.519 19.164 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.757 20.261 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.647 18.877 2.719 1.00 0.00 H new ATOM 987 N ASP A 61 8.910 23.466 2.667 1.00 0.00 N ATOM 988 CA ASP A 61 10.104 24.266 2.409 1.00 0.00 C ATOM 989 C ASP A 61 10.879 23.748 1.201 1.00 0.00 C ATOM 990 O ASP A 61 11.647 24.486 0.584 1.00 0.00 O ATOM 991 CB ASP A 61 11.009 24.277 3.641 1.00 0.00 C ATOM 992 CG ASP A 61 10.306 24.816 4.871 1.00 0.00 C ATOM 993 OD1 ASP A 61 9.958 26.015 4.878 1.00 0.00 O ATOM 994 OD2 ASP A 61 10.104 24.038 5.828 1.00 0.00 O ATOM 0 H ASP A 61 8.945 22.916 3.525 1.00 0.00 H new ATOM 0 HA ASP A 61 9.778 25.282 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.358 23.264 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.891 24.884 3.435 1.00 0.00 H new ATOM 999 N GLU A 62 10.682 22.478 0.871 1.00 0.00 N ATOM 1000 CA GLU A 62 11.373 21.870 -0.261 1.00 0.00 C ATOM 1001 C GLU A 62 10.651 22.146 -1.581 1.00 0.00 C ATOM 1002 O GLU A 62 11.149 21.791 -2.650 1.00 0.00 O ATOM 1003 CB GLU A 62 11.514 20.362 -0.048 1.00 0.00 C ATOM 1004 CG GLU A 62 12.325 19.994 1.183 1.00 0.00 C ATOM 1005 CD GLU A 62 13.815 20.191 0.981 1.00 0.00 C ATOM 1006 OE1 GLU A 62 14.254 20.236 -0.188 1.00 0.00 O ATOM 1007 OE2 GLU A 62 14.542 20.301 1.990 1.00 0.00 O ATOM 0 H GLU A 62 10.051 21.850 1.369 1.00 0.00 H new ATOM 0 HA GLU A 62 12.363 22.321 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.521 19.921 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.984 19.922 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.993 20.600 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.132 18.953 1.443 1.00 0.00 H new ATOM 1014 N GLY A 63 9.485 22.788 -1.512 1.00 0.00 N ATOM 1015 CA GLY A 63 8.742 23.096 -2.725 1.00 0.00 C ATOM 1016 C GLY A 63 7.443 22.316 -2.848 1.00 0.00 C ATOM 1017 O GLY A 63 6.806 21.994 -1.846 1.00 0.00 O ATOM 0 H GLY A 63 9.045 23.098 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.521 24.163 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.369 22.883 -3.591 1.00 0.00 H new ATOM 1021 N ASP A 64 7.048 22.022 -4.088 1.00 0.00 N ATOM 1022 CA ASP A 64 5.812 21.286 -4.352 1.00 0.00 C ATOM 1023 C ASP A 64 6.077 19.793 -4.529 1.00 0.00 C ATOM 1024 O ASP A 64 7.137 19.391 -5.008 1.00 0.00 O ATOM 1025 CB ASP A 64 5.120 21.842 -5.596 1.00 0.00 C ATOM 1026 CG ASP A 64 6.006 21.786 -6.825 1.00 0.00 C ATOM 1027 OD1 ASP A 64 7.235 21.953 -6.679 1.00 0.00 O ATOM 1028 OD2 ASP A 64 5.471 21.575 -7.934 1.00 0.00 O ATOM 0 H ASP A 64 7.568 22.283 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 64 5.160 21.414 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.207 21.277 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.823 22.875 -5.412 1.00 0.00 H new ATOM 1033 N PHE A 65 5.104 18.980 -4.125 1.00 0.00 N ATOM 1034 CA PHE A 65 5.214 17.526 -4.216 1.00 0.00 C ATOM 1035 C PHE A 65 3.833 16.896 -4.381 1.00 0.00 C ATOM 1036 O PHE A 65 2.856 17.616 -4.566 1.00 0.00 O ATOM 1037 CB PHE A 65 5.938 16.996 -2.986 1.00 0.00 C ATOM 1038 CG PHE A 65 7.215 17.744 -2.731 1.00 0.00 C ATOM 1039 CD1 PHE A 65 8.334 17.497 -3.504 1.00 0.00 C ATOM 1040 CD2 PHE A 65 7.284 18.721 -1.752 1.00 0.00 C ATOM 1041 CE1 PHE A 65 9.503 18.207 -3.309 1.00 0.00 C ATOM 1042 CE2 PHE A 65 8.453 19.430 -1.546 1.00 0.00 C ATOM 1043 CZ PHE A 65 9.563 19.173 -2.327 1.00 0.00 C ATOM 0 H PHE A 65 4.223 19.307 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 65 5.797 17.255 -5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.287 17.079 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.157 15.937 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.294 16.738 -4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.417 18.931 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.368 18.006 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.498 20.185 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.476 19.728 -2.169 1.00 0.00 H new ATOM 1053 N ILE A 66 3.739 15.562 -4.349 1.00 0.00 N ATOM 1054 CA ILE A 66 2.443 14.910 -4.534 1.00 0.00 C ATOM 1055 C ILE A 66 2.397 13.509 -3.938 1.00 0.00 C ATOM 1056 O ILE A 66 3.184 12.640 -4.310 1.00 0.00 O ATOM 1057 CB ILE A 66 2.065 14.810 -6.032 1.00 0.00 C ATOM 1058 CG1 ILE A 66 3.314 14.896 -6.908 1.00 0.00 C ATOM 1059 CG2 ILE A 66 1.069 15.895 -6.409 1.00 0.00 C ATOM 1060 CD1 ILE A 66 4.305 13.800 -6.624 1.00 0.00 C ATOM 0 H ILE A 66 4.524 14.928 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 66 1.727 15.541 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 66 1.594 13.842 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.020 14.850 -7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.794 15.862 -6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.817 15.806 -7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.165 15.783 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.510 16.874 -6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.170 13.914 -7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.625 13.859 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.839 12.832 -6.806 1.00 0.00 H new ATOM 1072 N MET A 67 1.442 13.281 -3.040 1.00 0.00 N ATOM 1073 CA MET A 67 1.283 11.965 -2.438 1.00 0.00 C ATOM 1074 C MET A 67 0.938 10.960 -3.523 1.00 0.00 C ATOM 1075 O MET A 67 -0.146 11.011 -4.103 1.00 0.00 O ATOM 1076 CB MET A 67 0.178 11.973 -1.382 1.00 0.00 C ATOM 1077 CG MET A 67 0.451 12.903 -0.218 1.00 0.00 C ATOM 1078 SD MET A 67 -0.789 12.769 1.082 1.00 0.00 S ATOM 1079 CE MET A 67 -0.006 11.581 2.169 1.00 0.00 C ATOM 0 H MET A 67 0.775 13.982 -2.718 1.00 0.00 H new ATOM 0 HA MET A 67 2.219 11.690 -1.952 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.761 12.263 -1.854 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.044 10.960 -1.002 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.433 12.680 0.198 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.484 13.931 -0.579 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.687 10.749 2.350 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.906 11.208 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 67 0.240 12.061 3.116 1.00 0.00 H new ATOM 1089 N LEU A 68 1.860 10.055 -3.803 1.00 0.00 N ATOM 1090 CA LEU A 68 1.628 9.054 -4.834 1.00 0.00 C ATOM 1091 C LEU A 68 0.549 8.072 -4.379 1.00 0.00 C ATOM 1092 O LEU A 68 0.843 6.950 -3.965 1.00 0.00 O ATOM 1093 CB LEU A 68 2.937 8.324 -5.176 1.00 0.00 C ATOM 1094 CG LEU A 68 3.074 7.841 -6.623 1.00 0.00 C ATOM 1095 CD1 LEU A 68 2.632 8.920 -7.601 1.00 0.00 C ATOM 1096 CD2 LEU A 68 4.514 7.433 -6.903 1.00 0.00 C ATOM 0 H LEU A 68 2.766 9.991 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 68 1.276 9.550 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.771 8.991 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.034 7.463 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 68 2.426 6.975 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.739 8.552 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.589 9.175 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.251 9.807 -7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.601 7.091 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.171 8.288 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.802 6.627 -6.228 1.00 0.00 H new ATOM 1108 N THR A 69 -0.706 8.518 -4.460 1.00 0.00 N ATOM 1109 CA THR A 69 -1.852 7.704 -4.060 1.00 0.00 C ATOM 1110 C THR A 69 -2.087 6.565 -5.050 1.00 0.00 C ATOM 1111 O THR A 69 -2.754 5.581 -4.731 1.00 0.00 O ATOM 1112 CB THR A 69 -3.114 8.574 -3.961 1.00 0.00 C ATOM 1113 OG1 THR A 69 -2.928 9.803 -4.640 1.00 0.00 O ATOM 1114 CG2 THR A 69 -3.524 8.900 -2.538 1.00 0.00 C ATOM 0 H THR A 69 -0.954 9.446 -4.802 1.00 0.00 H new ATOM 0 HA THR A 69 -1.634 7.274 -3.083 1.00 0.00 H new ATOM 0 HB THR A 69 -3.903 7.977 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.185 9.700 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.423 9.517 -2.551 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.726 7.976 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.719 9.442 -2.042 1.00 0.00 H new ATOM 1122 N GLN A 70 -1.536 6.707 -6.254 1.00 0.00 N ATOM 1123 CA GLN A 70 -1.688 5.692 -7.291 1.00 0.00 C ATOM 1124 C GLN A 70 -1.041 4.369 -6.881 1.00 0.00 C ATOM 1125 O GLN A 70 -1.259 3.342 -7.522 1.00 0.00 O ATOM 1126 CB GLN A 70 -1.076 6.183 -8.604 1.00 0.00 C ATOM 1127 CG GLN A 70 -1.470 5.346 -9.810 1.00 0.00 C ATOM 1128 CD GLN A 70 -0.314 5.119 -10.764 1.00 0.00 C ATOM 1129 OE1 GLN A 70 0.522 4.242 -10.547 1.00 0.00 O ATOM 1130 NE2 GLN A 70 -0.260 5.912 -11.828 1.00 0.00 N ATOM 0 H GLN A 70 -0.981 7.515 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.755 5.518 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.381 7.216 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.010 6.183 -8.511 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.851 4.383 -9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.283 5.841 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.975 6.626 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.496 5.807 -12.505 1.00 0.00 H new ATOM 1139 N GLN A 71 -0.247 4.395 -5.812 1.00 0.00 N ATOM 1140 CA GLN A 71 0.418 3.192 -5.331 1.00 0.00 C ATOM 1141 C GLN A 71 0.052 2.925 -3.878 1.00 0.00 C ATOM 1142 O GLN A 71 -0.762 2.050 -3.583 1.00 0.00 O ATOM 1143 CB GLN A 71 1.936 3.330 -5.474 1.00 0.00 C ATOM 1144 CG GLN A 71 2.417 3.298 -6.915 1.00 0.00 C ATOM 1145 CD GLN A 71 2.969 1.943 -7.315 1.00 0.00 C ATOM 1146 OE1 GLN A 71 2.268 1.261 -8.213 1.00 0.00 O flip ATOM 1147 NE2 GLN A 71 4.012 1.515 -6.822 1.00 0.00 N flip ATOM 0 H GLN A 71 -0.051 5.234 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 71 0.083 2.349 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.252 4.267 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.419 2.525 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.591 3.559 -7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.188 4.056 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.518 2.074 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.370 0.602 -7.100 1.00 0.00 H new ATOM 1156 N MET A 72 0.652 3.687 -2.971 1.00 0.00 N ATOM 1157 CA MET A 72 0.380 3.528 -1.549 1.00 0.00 C ATOM 1158 C MET A 72 0.913 2.189 -1.053 1.00 0.00 C ATOM 1159 O MET A 72 0.446 1.130 -1.472 1.00 0.00 O ATOM 1160 CB MET A 72 -1.123 3.632 -1.289 1.00 0.00 C ATOM 1161 CG MET A 72 -1.468 4.254 0.055 1.00 0.00 C ATOM 1162 SD MET A 72 -2.480 3.173 1.086 1.00 0.00 S ATOM 1163 CE MET A 72 -3.044 4.327 2.334 1.00 0.00 C ATOM 0 H MET A 72 1.327 4.418 -3.194 1.00 0.00 H new ATOM 0 HA MET A 72 0.887 4.324 -1.003 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.580 4.224 -2.082 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.562 2.636 -1.342 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.547 4.496 0.585 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.998 5.192 -0.109 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.726 3.820 3.017 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.188 4.707 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.562 5.157 1.854 1.00 0.00 H new ATOM 1173 N THR A 73 1.904 2.243 -0.169 1.00 0.00 N ATOM 1174 CA THR A 73 2.512 1.032 0.370 1.00 0.00 C ATOM 1175 C THR A 73 3.044 1.268 1.780 1.00 0.00 C ATOM 1176 O THR A 73 3.579 2.334 2.075 1.00 0.00 O ATOM 1177 CB THR A 73 3.651 0.577 -0.544 1.00 0.00 C ATOM 1178 OG1 THR A 73 4.436 -0.418 0.090 1.00 0.00 O ATOM 1179 CG2 THR A 73 4.579 1.705 -0.953 1.00 0.00 C ATOM 0 H THR A 73 2.303 3.111 0.189 1.00 0.00 H new ATOM 0 HA THR A 73 1.748 0.256 0.418 1.00 0.00 H new ATOM 0 HB THR A 73 3.165 0.186 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.848 -1.078 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.364 1.314 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.012 2.466 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.029 2.147 -0.064 1.00 0.00 H new ATOM 1187 N SER A 74 2.907 0.265 2.645 1.00 0.00 N ATOM 1188 CA SER A 74 3.390 0.378 4.019 1.00 0.00 C ATOM 1189 C SER A 74 4.912 0.365 4.050 1.00 0.00 C ATOM 1190 O SER A 74 5.546 -0.630 3.700 1.00 0.00 O ATOM 1191 CB SER A 74 2.836 -0.756 4.886 1.00 0.00 C ATOM 1192 OG SER A 74 1.684 -1.333 4.298 1.00 0.00 O ATOM 0 H SER A 74 2.469 -0.629 2.421 1.00 0.00 H new ATOM 0 HA SER A 74 3.037 1.326 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.601 -1.521 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.589 -0.373 5.876 1.00 0.00 H new ATOM 0 HG SER A 74 1.351 -2.055 4.871 1.00 0.00 H new ATOM 1198 N VAL A 75 5.488 1.484 4.469 1.00 0.00 N ATOM 1199 CA VAL A 75 6.936 1.618 4.547 1.00 0.00 C ATOM 1200 C VAL A 75 7.439 1.217 5.931 1.00 0.00 C ATOM 1201 O VAL A 75 7.174 1.900 6.920 1.00 0.00 O ATOM 1202 CB VAL A 75 7.378 3.060 4.237 1.00 0.00 C ATOM 1203 CG1 VAL A 75 7.034 3.425 2.804 1.00 0.00 C ATOM 1204 CG2 VAL A 75 6.766 4.038 5.227 1.00 0.00 C ATOM 0 H VAL A 75 4.972 2.314 4.761 1.00 0.00 H new ATOM 0 HA VAL A 75 7.368 0.952 3.800 1.00 0.00 H new ATOM 0 HB VAL A 75 8.461 3.122 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.353 4.447 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.544 2.744 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.957 3.346 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.093 5.050 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.679 3.984 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.087 3.782 6.237 1.00 0.00 H new ATOM 1214 N PRO A 76 8.161 0.086 6.022 1.00 0.00 N ATOM 1215 CA PRO A 76 8.686 -0.417 7.293 1.00 0.00 C ATOM 1216 C PRO A 76 9.343 0.666 8.141 1.00 0.00 C ATOM 1217 O PRO A 76 10.068 1.519 7.629 1.00 0.00 O ATOM 1218 CB PRO A 76 9.716 -1.455 6.857 1.00 0.00 C ATOM 1219 CG PRO A 76 9.204 -1.963 5.554 1.00 0.00 C ATOM 1220 CD PRO A 76 8.512 -0.801 4.894 1.00 0.00 C ATOM 0 HA PRO A 76 7.893 -0.814 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.706 -1.011 6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.805 -2.258 7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.019 -2.334 4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.514 -2.793 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.165 -0.300 4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.626 -1.122 4.346 1.00 0.00 H new ATOM 1228 N VAL A 77 9.080 0.617 9.447 1.00 0.00 N ATOM 1229 CA VAL A 77 9.639 1.581 10.393 1.00 0.00 C ATOM 1230 C VAL A 77 11.110 1.868 10.099 1.00 0.00 C ATOM 1231 O VAL A 77 11.546 3.019 10.122 1.00 0.00 O ATOM 1232 CB VAL A 77 9.510 1.072 11.842 1.00 0.00 C ATOM 1233 CG1 VAL A 77 10.292 -0.219 12.027 1.00 0.00 C ATOM 1234 CG2 VAL A 77 9.977 2.134 12.827 1.00 0.00 C ATOM 0 H VAL A 77 8.478 -0.086 9.876 1.00 0.00 H new ATOM 0 HA VAL A 77 9.068 2.502 10.278 1.00 0.00 H new ATOM 0 HB VAL A 77 8.459 0.864 12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.189 -0.563 13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.904 -0.980 11.350 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.345 -0.041 11.808 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.878 1.755 13.844 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.021 2.378 12.631 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.367 3.030 12.712 1.00 0.00 H new ATOM 1244 N LYS A 78 11.870 0.810 9.825 1.00 0.00 N ATOM 1245 CA LYS A 78 13.298 0.951 9.527 1.00 0.00 C ATOM 1246 C LYS A 78 13.516 1.966 8.430 1.00 0.00 C ATOM 1247 O LYS A 78 14.210 2.969 8.598 1.00 0.00 O ATOM 1248 CB LYS A 78 13.924 -0.357 9.050 1.00 0.00 C ATOM 1249 CG LYS A 78 12.915 -1.397 8.634 1.00 0.00 C ATOM 1250 CD LYS A 78 12.381 -2.134 9.847 1.00 0.00 C ATOM 1251 CE LYS A 78 13.091 -3.462 10.053 1.00 0.00 C ATOM 1252 NZ LYS A 78 13.288 -3.768 11.497 1.00 0.00 N ATOM 0 H LYS A 78 11.526 -0.150 9.802 1.00 0.00 H new ATOM 0 HA LYS A 78 13.767 1.265 10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.584 -0.148 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.544 -0.765 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.093 -0.921 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.376 -2.105 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.505 -1.513 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.312 -2.307 9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.511 -4.260 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.059 -3.438 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.775 -4.682 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.863 -3.020 11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.364 -3.816 11.971 1.00 0.00 H new ATOM 1266 N ILE A 79 12.919 1.660 7.292 1.00 0.00 N ATOM 1267 CA ILE A 79 13.027 2.487 6.118 1.00 0.00 C ATOM 1268 C ILE A 79 11.865 3.482 6.026 1.00 0.00 C ATOM 1269 O ILE A 79 11.510 3.946 4.944 1.00 0.00 O ATOM 1270 CB ILE A 79 13.142 1.628 4.847 1.00 0.00 C ATOM 1271 CG1 ILE A 79 13.258 2.529 3.600 1.00 0.00 C ATOM 1272 CG2 ILE A 79 11.967 0.660 4.764 1.00 0.00 C ATOM 1273 CD1 ILE A 79 12.279 2.189 2.519 1.00 0.00 C ATOM 0 H ILE A 79 12.345 0.827 7.162 1.00 0.00 H new ATOM 0 HA ILE A 79 13.943 3.071 6.204 1.00 0.00 H new ATOM 0 HB ILE A 79 14.051 1.029 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.111 3.567 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.269 2.452 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 79 12.056 0.056 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.970 0.009 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.034 1.222 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.420 2.864 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.440 1.161 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.264 2.294 2.901 1.00 0.00 H new ATOM 1285 N LEU A 80 11.269 3.811 7.175 1.00 0.00 N ATOM 1286 CA LEU A 80 10.155 4.759 7.215 1.00 0.00 C ATOM 1287 C LEU A 80 10.608 6.170 6.910 1.00 0.00 C ATOM 1288 O LEU A 80 10.293 7.111 7.637 1.00 0.00 O ATOM 1289 CB LEU A 80 9.439 4.719 8.561 1.00 0.00 C ATOM 1290 CG LEU A 80 7.918 4.873 8.472 1.00 0.00 C ATOM 1291 CD1 LEU A 80 7.322 5.069 9.857 1.00 0.00 C ATOM 1292 CD2 LEU A 80 7.543 6.034 7.550 1.00 0.00 C ATOM 0 H LEU A 80 11.538 3.437 8.085 1.00 0.00 H new ATOM 0 HA LEU A 80 9.453 4.452 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.668 3.774 9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.836 5.513 9.194 1.00 0.00 H new ATOM 0 HG LEU A 80 7.505 3.958 8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.240 5.177 9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.555 4.205 10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.743 5.966 10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.458 6.125 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.968 6.959 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.936 5.847 6.551 1.00 0.00 H new ATOM 1304 N SER A 81 11.279 6.311 5.781 1.00 0.00 N ATOM 1305 CA SER A 81 11.714 7.602 5.298 1.00 0.00 C ATOM 1306 C SER A 81 12.479 8.433 6.332 1.00 0.00 C ATOM 1307 O SER A 81 11.999 8.670 7.437 1.00 0.00 O ATOM 1308 CB SER A 81 10.489 8.366 4.827 1.00 0.00 C ATOM 1309 OG SER A 81 9.299 7.627 5.054 1.00 0.00 O ATOM 0 H SER A 81 11.536 5.531 5.176 1.00 0.00 H new ATOM 0 HA SER A 81 12.420 7.425 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.431 9.321 5.349 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.584 8.589 3.764 1.00 0.00 H new ATOM 0 HG SER A 81 9.154 7.005 4.311 1.00 0.00 H new ATOM 1315 N GLU A 82 13.659 8.911 5.933 1.00 0.00 N ATOM 1316 CA GLU A 82 14.483 9.762 6.788 1.00 0.00 C ATOM 1317 C GLU A 82 13.852 11.156 6.872 1.00 0.00 C ATOM 1318 O GLU A 82 13.863 11.903 5.894 1.00 0.00 O ATOM 1319 CB GLU A 82 15.920 9.868 6.238 1.00 0.00 C ATOM 1320 CG GLU A 82 16.967 9.288 7.176 1.00 0.00 C ATOM 1321 CD GLU A 82 18.352 9.850 6.920 1.00 0.00 C ATOM 1322 OE1 GLU A 82 18.524 11.082 7.032 1.00 0.00 O ATOM 1323 OE2 GLU A 82 19.266 9.057 6.608 1.00 0.00 O ATOM 0 H GLU A 82 14.066 8.721 5.017 1.00 0.00 H new ATOM 0 HA GLU A 82 14.532 9.318 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.974 9.351 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.153 10.916 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.680 9.494 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.992 8.204 7.062 1.00 0.00 H new ATOM 1330 N PRO A 83 13.273 11.524 8.032 1.00 0.00 N ATOM 1331 CA PRO A 83 12.619 12.825 8.213 1.00 0.00 C ATOM 1332 C PRO A 83 13.392 13.998 7.613 1.00 0.00 C ATOM 1333 O PRO A 83 14.519 14.290 8.014 1.00 0.00 O ATOM 1334 CB PRO A 83 12.543 12.955 9.730 1.00 0.00 C ATOM 1335 CG PRO A 83 12.364 11.555 10.198 1.00 0.00 C ATOM 1336 CD PRO A 83 13.185 10.702 9.260 1.00 0.00 C ATOM 0 HA PRO A 83 11.657 12.861 7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.450 13.401 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.710 13.589 10.036 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.702 11.440 11.228 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.314 11.265 10.173 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.172 10.489 9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.706 9.742 9.067 1.00 0.00 H new ATOM 1344 N VAL A 84 12.750 14.680 6.670 1.00 0.00 N ATOM 1345 CA VAL A 84 13.332 15.849 6.020 1.00 0.00 C ATOM 1346 C VAL A 84 12.579 17.102 6.459 1.00 0.00 C ATOM 1347 O VAL A 84 13.172 18.147 6.727 1.00 0.00 O ATOM 1348 CB VAL A 84 13.253 15.753 4.489 1.00 0.00 C ATOM 1349 CG1 VAL A 84 14.257 14.736 3.969 1.00 0.00 C ATOM 1350 CG2 VAL A 84 11.834 15.420 4.050 1.00 0.00 C ATOM 0 H VAL A 84 11.817 14.440 6.336 1.00 0.00 H new ATOM 0 HA VAL A 84 14.381 15.897 6.313 1.00 0.00 H new ATOM 0 HB VAL A 84 13.512 16.721 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.188 14.680 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.264 15.041 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.039 13.758 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.795 15.356 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.535 14.465 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.155 16.201 4.392 1.00 0.00 H new ATOM 1360 N ASN A 85 11.253 16.968 6.524 1.00 0.00 N ATOM 1361 CA ASN A 85 10.364 18.055 6.924 1.00 0.00 C ATOM 1362 C ASN A 85 9.144 17.492 7.657 1.00 0.00 C ATOM 1363 O ASN A 85 9.219 16.420 8.258 1.00 0.00 O ATOM 1364 CB ASN A 85 9.929 18.856 5.694 1.00 0.00 C ATOM 1365 CG ASN A 85 9.922 20.351 5.949 1.00 0.00 C ATOM 1366 OD1 ASN A 85 8.938 21.035 5.671 1.00 0.00 O ATOM 1367 ND2 ASN A 85 11.024 20.865 6.482 1.00 0.00 N ATOM 0 H ASN A 85 10.767 16.100 6.300 1.00 0.00 H new ATOM 0 HA ASN A 85 10.898 18.721 7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.600 18.635 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 85 8.932 18.537 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.078 21.865 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.817 20.260 6.697 1.00 0.00 H new ATOM 1374 N GLU A 86 8.021 18.206 7.604 1.00 0.00 N ATOM 1375 CA GLU A 86 6.803 17.761 8.258 1.00 0.00 C ATOM 1376 C GLU A 86 5.608 18.452 7.629 1.00 0.00 C ATOM 1377 O GLU A 86 5.683 19.631 7.284 1.00 0.00 O ATOM 1378 CB GLU A 86 6.858 18.061 9.757 1.00 0.00 C ATOM 1379 CG GLU A 86 7.249 19.495 10.076 1.00 0.00 C ATOM 1380 CD GLU A 86 7.519 19.711 11.552 1.00 0.00 C ATOM 1381 OE1 GLU A 86 8.376 18.993 12.110 1.00 0.00 O ATOM 1382 OE2 GLU A 86 6.875 20.598 12.150 1.00 0.00 O ATOM 0 H GLU A 86 7.935 19.096 7.113 1.00 0.00 H new ATOM 0 HA GLU A 86 6.705 16.683 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.883 17.853 10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.571 17.385 10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.139 19.761 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.452 20.165 9.754 1.00 0.00 H new ATOM 1389 N LEU A 87 4.501 17.733 7.482 1.00 0.00 N ATOM 1390 CA LEU A 87 3.317 18.340 6.894 1.00 0.00 C ATOM 1391 C LEU A 87 2.020 17.909 7.568 1.00 0.00 C ATOM 1392 O LEU A 87 1.164 17.257 6.969 1.00 0.00 O ATOM 1393 CB LEU A 87 3.215 18.125 5.391 1.00 0.00 C ATOM 1394 CG LEU A 87 3.339 16.696 4.838 1.00 0.00 C ATOM 1395 CD1 LEU A 87 4.306 16.690 3.661 1.00 0.00 C ATOM 1396 CD2 LEU A 87 3.770 15.707 5.917 1.00 0.00 C ATOM 0 H LEU A 87 4.400 16.755 7.754 1.00 0.00 H new ATOM 0 HA LEU A 87 3.449 19.407 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.254 18.523 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.988 18.730 4.918 1.00 0.00 H new ATOM 0 HG LEU A 87 2.358 16.371 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.395 15.677 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.932 17.351 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.285 17.038 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.846 14.709 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.739 16.004 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.033 15.700 6.720 1.00 0.00 H new ATOM 1408 N SER A 88 1.887 18.329 8.804 1.00 0.00 N ATOM 1409 CA SER A 88 0.696 18.066 9.616 1.00 0.00 C ATOM 1410 C SER A 88 -0.468 18.877 9.114 1.00 0.00 C ATOM 1411 O SER A 88 -1.590 18.396 9.085 1.00 0.00 O ATOM 1412 CB SER A 88 0.950 18.378 11.086 1.00 0.00 C ATOM 1413 OG SER A 88 2.043 17.630 11.590 1.00 0.00 O ATOM 0 H SER A 88 2.603 18.869 9.290 1.00 0.00 H new ATOM 0 HA SER A 88 0.459 17.006 9.528 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.150 19.443 11.205 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.055 18.155 11.667 1.00 0.00 H new ATOM 0 HG SER A 88 2.185 16.839 11.029 1.00 0.00 H new ATOM 1419 N THR A 89 -0.202 20.105 8.691 1.00 0.00 N ATOM 1420 CA THR A 89 -1.260 20.942 8.156 1.00 0.00 C ATOM 1421 C THR A 89 -1.914 20.211 6.991 1.00 0.00 C ATOM 1422 O THR A 89 -3.079 20.436 6.661 1.00 0.00 O ATOM 1423 CB THR A 89 -0.706 22.286 7.691 1.00 0.00 C ATOM 1424 OG1 THR A 89 -1.760 23.209 7.482 1.00 0.00 O ATOM 1425 CG2 THR A 89 0.097 22.191 6.407 1.00 0.00 C ATOM 0 H THR A 89 0.722 20.536 8.708 1.00 0.00 H new ATOM 0 HA THR A 89 -1.997 21.138 8.935 1.00 0.00 H new ATOM 0 HB THR A 89 -0.040 22.622 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.390 24.067 7.186 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.462 23.181 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.943 21.521 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.537 21.803 5.609 1.00 0.00 H new ATOM 1433 N PHE A 90 -1.136 19.313 6.392 1.00 0.00 N ATOM 1434 CA PHE A 90 -1.595 18.504 5.277 1.00 0.00 C ATOM 1435 C PHE A 90 -2.258 17.225 5.786 1.00 0.00 C ATOM 1436 O PHE A 90 -2.632 16.353 5.002 1.00 0.00 O ATOM 1437 CB PHE A 90 -0.409 18.147 4.394 1.00 0.00 C ATOM 1438 CG PHE A 90 -0.175 19.098 3.260 1.00 0.00 C ATOM 1439 CD1 PHE A 90 -1.073 19.193 2.211 1.00 0.00 C ATOM 1440 CD2 PHE A 90 0.962 19.885 3.232 1.00 0.00 C ATOM 1441 CE1 PHE A 90 -0.830 20.053 1.158 1.00 0.00 C ATOM 1442 CE2 PHE A 90 1.202 20.736 2.202 1.00 0.00 C ATOM 1443 CZ PHE A 90 0.313 20.826 1.158 1.00 0.00 C ATOM 0 H PHE A 90 -0.172 19.129 6.669 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.326 19.072 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.489 18.108 5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.561 17.147 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.969 18.591 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.671 19.821 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.531 20.120 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.094 21.344 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.509 21.501 0.338 1.00 0.00 H new ATOM 1453 N ARG A 91 -2.388 17.120 7.109 1.00 0.00 N ATOM 1454 CA ARG A 91 -2.988 15.953 7.748 1.00 0.00 C ATOM 1455 C ARG A 91 -4.215 15.469 6.989 1.00 0.00 C ATOM 1456 O ARG A 91 -4.332 14.281 6.692 1.00 0.00 O ATOM 1457 CB ARG A 91 -3.378 16.278 9.180 1.00 0.00 C ATOM 1458 CG ARG A 91 -4.039 17.615 9.258 1.00 0.00 C ATOM 1459 CD ARG A 91 -3.885 18.271 10.619 1.00 0.00 C ATOM 1460 NE ARG A 91 -5.100 18.164 11.423 1.00 0.00 N ATOM 1461 CZ ARG A 91 -5.285 18.800 12.577 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -4.336 19.589 13.067 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -6.421 18.647 13.244 1.00 0.00 N ATOM 0 H ARG A 91 -2.081 17.839 7.764 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.243 15.158 7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.052 15.511 9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.492 16.268 9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.616 18.269 8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.099 17.504 9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.056 17.806 11.153 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.630 19.322 10.487 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.851 17.566 11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.460 19.710 12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.483 20.074 13.952 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.153 18.042 12.872 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.563 19.135 14.129 1.00 0.00 H new ATOM 1477 N ASN A 92 -5.129 16.384 6.659 1.00 0.00 N ATOM 1478 CA ASN A 92 -6.319 15.989 5.921 1.00 0.00 C ATOM 1479 C ASN A 92 -5.916 15.407 4.579 1.00 0.00 C ATOM 1480 O ASN A 92 -6.409 14.358 4.179 1.00 0.00 O ATOM 1481 CB ASN A 92 -7.292 17.145 5.705 1.00 0.00 C ATOM 1482 CG ASN A 92 -6.824 18.122 4.643 1.00 0.00 C ATOM 1483 OD1 ASN A 92 -7.035 17.760 3.382 1.00 0.00 O flip ATOM 1484 ND2 ASN A 92 -6.282 19.184 4.951 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.068 17.377 6.886 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.836 15.241 6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.265 16.745 5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.430 17.678 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.141 19.419 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.974 19.829 4.223 1.00 0.00 H new ATOM 1491 N GLU A 93 -4.991 16.086 3.896 1.00 0.00 N ATOM 1492 CA GLU A 93 -4.497 15.608 2.611 1.00 0.00 C ATOM 1493 C GLU A 93 -4.201 14.139 2.729 1.00 0.00 C ATOM 1494 O GLU A 93 -4.570 13.328 1.880 1.00 0.00 O ATOM 1495 CB GLU A 93 -3.202 16.311 2.227 1.00 0.00 C ATOM 1496 CG GLU A 93 -3.228 16.929 0.840 1.00 0.00 C ATOM 1497 CD GLU A 93 -4.107 18.162 0.768 1.00 0.00 C ATOM 1498 OE1 GLU A 93 -5.343 18.007 0.679 1.00 0.00 O ATOM 1499 OE2 GLU A 93 -3.559 19.284 0.801 1.00 0.00 O ATOM 0 H GLU A 93 -4.574 16.962 4.212 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.255 15.809 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.993 17.092 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.381 15.596 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.213 17.193 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.586 16.190 0.123 1.00 0.00 H new ATOM 1506 N ILE A 94 -3.526 13.817 3.819 1.00 0.00 N ATOM 1507 CA ILE A 94 -3.160 12.457 4.100 1.00 0.00 C ATOM 1508 C ILE A 94 -4.420 11.609 4.197 1.00 0.00 C ATOM 1509 O ILE A 94 -4.487 10.498 3.670 1.00 0.00 O ATOM 1510 CB ILE A 94 -2.363 12.324 5.416 1.00 0.00 C ATOM 1511 CG1 ILE A 94 -1.511 13.571 5.689 1.00 0.00 C ATOM 1512 CG2 ILE A 94 -1.491 11.085 5.372 1.00 0.00 C ATOM 1513 CD1 ILE A 94 -0.727 14.060 4.488 1.00 0.00 C ATOM 0 H ILE A 94 -3.223 14.490 4.523 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.520 12.114 3.287 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.077 12.230 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.162 14.374 6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.815 13.352 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.933 11.000 6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.118 10.203 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.794 11.160 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.152 14.944 4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.049 13.276 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.416 14.313 3.682 1.00 0.00 H new ATOM 1525 N ILE A 95 -5.428 12.169 4.865 1.00 0.00 N ATOM 1526 CA ILE A 95 -6.709 11.503 5.028 1.00 0.00 C ATOM 1527 C ILE A 95 -7.457 11.480 3.701 1.00 0.00 C ATOM 1528 O ILE A 95 -7.617 10.420 3.106 1.00 0.00 O ATOM 1529 CB ILE A 95 -7.581 12.197 6.094 1.00 0.00 C ATOM 1530 CG1 ILE A 95 -6.811 12.328 7.409 1.00 0.00 C ATOM 1531 CG2 ILE A 95 -8.875 11.425 6.308 1.00 0.00 C ATOM 1532 CD1 ILE A 95 -7.489 13.229 8.419 1.00 0.00 C ATOM 0 H ILE A 95 -5.376 13.089 5.303 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.510 10.484 5.361 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.832 13.197 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.683 11.338 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.814 12.716 7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.478 11.928 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.430 11.379 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.644 10.414 6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.887 13.275 9.327 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.593 14.230 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.475 12.831 8.657 1.00 0.00 H new ATOM 1544 N ALA A 96 -7.901 12.653 3.222 1.00 0.00 N ATOM 1545 CA ALA A 96 -8.614 12.726 1.940 1.00 0.00 C ATOM 1546 C ALA A 96 -8.003 11.746 0.938 1.00 0.00 C ATOM 1547 O ALA A 96 -8.713 10.936 0.341 1.00 0.00 O ATOM 1548 CB ALA A 96 -8.595 14.149 1.395 1.00 0.00 C ATOM 0 H ALA A 96 -7.781 13.549 3.695 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.654 12.444 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.128 14.182 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.080 14.818 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.563 14.467 1.243 1.00 0.00 H new ATOM 1554 N ALA A 97 -6.673 11.782 0.814 1.00 0.00 N ATOM 1555 CA ALA A 97 -5.951 10.847 -0.051 1.00 0.00 C ATOM 1556 C ALA A 97 -6.490 9.470 0.189 1.00 0.00 C ATOM 1557 O ALA A 97 -7.179 8.887 -0.637 1.00 0.00 O ATOM 1558 CB ALA A 97 -4.473 10.871 0.298 1.00 0.00 C ATOM 0 H ALA A 97 -6.075 12.449 1.302 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.079 11.129 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.936 10.175 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.081 11.877 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.340 10.578 1.339 1.00 0.00 H new ATOM 1564 N ILE A 98 -6.199 8.998 1.369 1.00 0.00 N ATOM 1565 CA ILE A 98 -6.646 7.725 1.833 1.00 0.00 C ATOM 1566 C ILE A 98 -8.148 7.589 1.623 1.00 0.00 C ATOM 1567 O ILE A 98 -8.630 6.730 0.897 1.00 0.00 O ATOM 1568 CB ILE A 98 -6.319 7.675 3.329 1.00 0.00 C ATOM 1569 CG1 ILE A 98 -4.838 7.346 3.528 1.00 0.00 C ATOM 1570 CG2 ILE A 98 -7.215 6.700 4.092 1.00 0.00 C ATOM 1571 CD1 ILE A 98 -4.572 6.477 4.730 1.00 0.00 C ATOM 0 H ILE A 98 -5.630 9.504 2.047 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.161 6.913 1.292 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.521 8.661 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.462 6.844 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.278 8.275 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.941 6.703 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.256 7.004 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.088 5.696 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.502 6.284 4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.917 6.986 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.104 5.532 4.621 1.00 0.00 H new ATOM 1583 N ASP A 99 -8.860 8.469 2.289 1.00 0.00 N ATOM 1584 CA ASP A 99 -10.307 8.531 2.252 1.00 0.00 C ATOM 1585 C ASP A 99 -10.887 8.439 0.835 1.00 0.00 C ATOM 1586 O ASP A 99 -12.035 8.040 0.656 1.00 0.00 O ATOM 1587 CB ASP A 99 -10.728 9.826 2.930 1.00 0.00 C ATOM 1588 CG ASP A 99 -11.930 9.649 3.838 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -12.193 8.503 4.259 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -12.609 10.657 4.127 1.00 0.00 O ATOM 0 H ASP A 99 -8.440 9.180 2.887 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.706 7.663 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.892 10.214 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.960 10.571 2.169 1.00 0.00 H new ATOM 1595 N PHE A 100 -10.098 8.793 -0.168 1.00 0.00 N ATOM 1596 CA PHE A 100 -10.547 8.725 -1.553 1.00 0.00 C ATOM 1597 C PHE A 100 -9.906 7.528 -2.227 1.00 0.00 C ATOM 1598 O PHE A 100 -10.566 6.663 -2.802 1.00 0.00 O ATOM 1599 CB PHE A 100 -10.182 10.014 -2.295 1.00 0.00 C ATOM 1600 CG PHE A 100 -10.559 10.003 -3.750 1.00 0.00 C ATOM 1601 CD1 PHE A 100 -11.890 9.979 -4.134 1.00 0.00 C ATOM 1602 CD2 PHE A 100 -9.581 10.018 -4.733 1.00 0.00 C ATOM 1603 CE1 PHE A 100 -12.239 9.970 -5.471 1.00 0.00 C ATOM 1604 CE2 PHE A 100 -9.925 10.008 -6.071 1.00 0.00 C ATOM 1605 CZ PHE A 100 -11.256 9.984 -6.441 1.00 0.00 C ATOM 0 H PHE A 100 -9.143 9.131 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 100 -11.631 8.615 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -10.675 10.855 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.108 10.181 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -12.663 9.967 -3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.539 10.038 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -13.280 9.952 -5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.154 10.019 -6.827 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.527 9.976 -7.486 1.00 0.00 H new ATOM 1615 N LEU A 101 -8.592 7.520 -2.124 1.00 0.00 N ATOM 1616 CA LEU A 101 -7.737 6.487 -2.676 1.00 0.00 C ATOM 1617 C LEU A 101 -8.084 5.121 -2.109 1.00 0.00 C ATOM 1618 O LEU A 101 -8.006 4.107 -2.803 1.00 0.00 O ATOM 1619 CB LEU A 101 -6.292 6.868 -2.337 1.00 0.00 C ATOM 1620 CG LEU A 101 -5.495 5.898 -1.459 1.00 0.00 C ATOM 1621 CD1 LEU A 101 -4.717 4.902 -2.306 1.00 0.00 C ATOM 1622 CD2 LEU A 101 -4.563 6.679 -0.533 1.00 0.00 C ATOM 0 H LEU A 101 -8.074 8.253 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.875 6.419 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.749 6.998 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.307 7.838 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.195 5.328 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.161 4.227 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.410 4.326 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.021 5.438 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.000 5.983 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.872 7.274 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.152 7.339 0.104 1.00 0.00 H new ATOM 1634 N ILE A 102 -8.439 5.101 -0.834 1.00 0.00 N ATOM 1635 CA ILE A 102 -8.766 3.861 -0.164 1.00 0.00 C ATOM 1636 C ILE A 102 -10.269 3.599 -0.163 1.00 0.00 C ATOM 1637 O ILE A 102 -10.696 2.445 -0.123 1.00 0.00 O ATOM 1638 CB ILE A 102 -8.218 3.836 1.285 1.00 0.00 C ATOM 1639 CG1 ILE A 102 -9.151 4.573 2.255 1.00 0.00 C ATOM 1640 CG2 ILE A 102 -6.813 4.437 1.335 1.00 0.00 C ATOM 1641 CD1 ILE A 102 -9.805 3.662 3.271 1.00 0.00 C ATOM 0 H ILE A 102 -8.507 5.932 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.283 3.063 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.168 2.794 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.583 5.341 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.926 5.084 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.443 4.412 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.147 3.859 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.846 5.469 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -10.451 4.249 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -10.400 2.909 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -9.036 3.171 3.867 1.00 0.00 H new ATOM 1653 N THR A 103 -11.080 4.662 -0.201 1.00 0.00 N ATOM 1654 CA THR A 103 -12.532 4.469 -0.196 1.00 0.00 C ATOM 1655 C THR A 103 -13.237 5.292 -1.269 1.00 0.00 C ATOM 1656 O THR A 103 -13.983 4.746 -2.083 1.00 0.00 O ATOM 1657 CB THR A 103 -13.116 4.788 1.183 1.00 0.00 C ATOM 1658 OG1 THR A 103 -12.692 6.060 1.636 1.00 0.00 O ATOM 1659 CG2 THR A 103 -12.731 3.776 2.239 1.00 0.00 C ATOM 0 H THR A 103 -10.769 5.633 -0.234 1.00 0.00 H new ATOM 0 HA THR A 103 -12.708 3.418 -0.427 1.00 0.00 H new ATOM 0 HB THR A 103 -14.197 4.763 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.207 6.518 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.176 4.059 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 103 -13.093 2.790 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.646 3.749 2.339 1.00 0.00 H new ATOM 1667 N GLY A 104 -13.016 6.600 -1.268 1.00 0.00 N ATOM 1668 CA GLY A 104 -13.664 7.450 -2.251 1.00 0.00 C ATOM 1669 C GLY A 104 -14.880 8.157 -1.687 1.00 0.00 C ATOM 1670 O GLY A 104 -15.756 8.592 -2.434 1.00 0.00 O ATOM 0 H GLY A 104 -12.405 7.086 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.951 8.191 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.962 6.848 -3.109 1.00 0.00 H new ATOM 1674 N ILE A 105 -14.937 8.267 -0.362 1.00 0.00 N ATOM 1675 CA ILE A 105 -16.057 8.921 0.306 1.00 0.00 C ATOM 1676 C ILE A 105 -16.263 10.341 -0.213 1.00 0.00 C ATOM 1677 O ILE A 105 -17.211 11.008 0.251 1.00 0.00 O ATOM 1678 CB ILE A 105 -15.861 8.963 1.837 1.00 0.00 C ATOM 1679 CG1 ILE A 105 -14.422 9.349 2.202 1.00 0.00 C ATOM 1680 CG2 ILE A 105 -16.220 7.618 2.451 1.00 0.00 C ATOM 1681 CD1 ILE A 105 -13.936 10.616 1.532 1.00 0.00 C ATOM 1682 OXT ILE A 105 -15.473 10.774 -1.079 1.00 0.00 O ATOM 0 H ILE A 105 -14.220 7.911 0.270 1.00 0.00 H new ATOM 0 HA ILE A 105 -16.943 8.327 0.080 1.00 0.00 H new ATOM 0 HB ILE A 105 -16.526 9.726 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -14.353 9.472 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.757 8.529 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -16.077 7.661 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -17.262 7.384 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -15.578 6.843 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -12.911 10.821 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.971 10.492 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -14.576 11.449 1.822 1.00 0.00 H new ATOM 1695 N MET B 1 -13.772 -4.329 -14.125 1.00 0.00 N ATOM 1696 CA MET B 1 -12.787 -3.710 -13.200 1.00 0.00 C ATOM 1697 C MET B 1 -11.585 -4.624 -12.985 1.00 0.00 C ATOM 1698 O MET B 1 -11.385 -5.585 -13.727 1.00 0.00 O ATOM 1699 CB MET B 1 -13.484 -3.428 -11.867 1.00 0.00 C ATOM 1700 CG MET B 1 -14.825 -2.730 -12.017 1.00 0.00 C ATOM 1701 SD MET B 1 -15.229 -1.690 -10.601 1.00 0.00 S ATOM 1702 CE MET B 1 -15.628 -0.146 -11.417 1.00 0.00 C ATOM 0 H1 MET B 1 -14.239 -3.586 -14.683 1.00 0.00 H new ATOM 0 H2 MET B 1 -13.282 -4.986 -14.765 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.485 -4.849 -13.575 1.00 0.00 H new ATOM 0 HA MET B 1 -12.418 -2.781 -13.635 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.631 -4.369 -11.337 1.00 0.00 H new ATOM 0 HB3 MET B 1 -12.831 -2.813 -11.248 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.813 -2.119 -12.920 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.607 -3.478 -12.148 1.00 0.00 H new ATOM 0 HE1 MET B 1 -15.899 0.600 -10.671 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.762 0.202 -11.980 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.466 -0.300 -12.097 1.00 0.00 H new ATOM 1714 N SER B 2 -10.788 -4.322 -11.963 1.00 0.00 N ATOM 1715 CA SER B 2 -9.610 -5.124 -11.655 1.00 0.00 C ATOM 1716 C SER B 2 -9.368 -5.187 -10.145 1.00 0.00 C ATOM 1717 O SER B 2 -8.670 -4.347 -9.580 1.00 0.00 O ATOM 1718 CB SER B 2 -8.374 -4.565 -12.380 1.00 0.00 C ATOM 1719 OG SER B 2 -7.261 -5.421 -12.193 1.00 0.00 O ATOM 0 H SER B 2 -10.937 -3.531 -11.337 1.00 0.00 H new ATOM 0 HA SER B 2 -9.789 -6.139 -12.009 1.00 0.00 H new ATOM 0 HB2 SER B 2 -8.585 -4.461 -13.444 1.00 0.00 H new ATOM 0 HB3 SER B 2 -8.142 -3.569 -12.002 1.00 0.00 H new ATOM 0 HG SER B 2 -7.533 -6.201 -11.665 1.00 0.00 H new ATOM 1725 N GLN B 3 -9.958 -6.188 -9.491 1.00 0.00 N ATOM 1726 CA GLN B 3 -9.808 -6.346 -8.044 1.00 0.00 C ATOM 1727 C GLN B 3 -10.617 -7.532 -7.517 1.00 0.00 C ATOM 1728 O GLN B 3 -11.613 -7.935 -8.117 1.00 0.00 O ATOM 1729 CB GLN B 3 -10.256 -5.068 -7.324 1.00 0.00 C ATOM 1730 CG GLN B 3 -11.427 -4.358 -7.990 1.00 0.00 C ATOM 1731 CD GLN B 3 -12.569 -5.297 -8.334 1.00 0.00 C ATOM 1732 OE1 GLN B 3 -12.661 -5.679 -9.602 1.00 0.00 O flip ATOM 1733 NE2 GLN B 3 -13.362 -5.672 -7.470 1.00 0.00 N flip ATOM 0 H GLN B 3 -10.540 -6.897 -9.936 1.00 0.00 H new ATOM 0 HA GLN B 3 -8.753 -6.535 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -10.532 -5.318 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -9.412 -4.380 -7.268 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -11.795 -3.574 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -11.079 -3.869 -8.900 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -13.255 -5.354 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -14.126 -6.301 -7.717 1.00 0.00 H new ATOM 1742 N PHE B 4 -10.190 -8.053 -6.365 1.00 0.00 N ATOM 1743 CA PHE B 4 -10.866 -9.164 -5.687 1.00 0.00 C ATOM 1744 C PHE B 4 -10.611 -10.532 -6.321 1.00 0.00 C ATOM 1745 O PHE B 4 -11.506 -11.376 -6.375 1.00 0.00 O ATOM 1746 CB PHE B 4 -12.364 -8.891 -5.581 1.00 0.00 C ATOM 1747 CG PHE B 4 -12.683 -7.917 -4.490 1.00 0.00 C ATOM 1748 CD1 PHE B 4 -12.549 -6.554 -4.696 1.00 0.00 C ATOM 1749 CD2 PHE B 4 -13.099 -8.367 -3.253 1.00 0.00 C ATOM 1750 CE1 PHE B 4 -12.828 -5.657 -3.684 1.00 0.00 C ATOM 1751 CE2 PHE B 4 -13.380 -7.478 -2.238 1.00 0.00 C ATOM 1752 CZ PHE B 4 -13.245 -6.120 -2.452 1.00 0.00 C ATOM 0 H PHE B 4 -9.362 -7.716 -5.873 1.00 0.00 H new ATOM 0 HA PHE B 4 -10.429 -9.216 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -12.729 -8.502 -6.532 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -12.890 -9.827 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -12.223 -6.189 -5.659 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -13.205 -9.428 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -12.720 -4.596 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -13.706 -7.843 -1.275 1.00 0.00 H new ATOM 0 HZ PHE B 4 -13.465 -5.422 -1.658 1.00 0.00 H new ATOM 1762 N THR B 5 -9.379 -10.763 -6.750 1.00 0.00 N ATOM 1763 CA THR B 5 -8.985 -12.042 -7.322 1.00 0.00 C ATOM 1764 C THR B 5 -7.854 -12.636 -6.493 1.00 0.00 C ATOM 1765 O THR B 5 -7.178 -11.922 -5.754 1.00 0.00 O ATOM 1766 CB THR B 5 -8.515 -11.870 -8.765 1.00 0.00 C ATOM 1767 OG1 THR B 5 -9.191 -10.797 -9.394 1.00 0.00 O ATOM 1768 CG2 THR B 5 -8.709 -13.102 -9.623 1.00 0.00 C ATOM 0 H THR B 5 -8.628 -10.074 -6.712 1.00 0.00 H new ATOM 0 HA THR B 5 -9.848 -12.708 -7.314 1.00 0.00 H new ATOM 0 HB THR B 5 -7.446 -11.673 -8.687 1.00 0.00 H new ATOM 0 HG1 THR B 5 -8.564 -10.305 -9.964 1.00 0.00 H new ATOM 0 HG21 THR B 5 -8.352 -12.902 -10.633 1.00 0.00 H new ATOM 0 HG22 THR B 5 -8.147 -13.934 -9.198 1.00 0.00 H new ATOM 0 HG23 THR B 5 -9.768 -13.359 -9.657 1.00 0.00 H new ATOM 1776 N LEU B 6 -7.630 -13.930 -6.637 1.00 0.00 N ATOM 1777 CA LEU B 6 -6.550 -14.593 -5.920 1.00 0.00 C ATOM 1778 C LEU B 6 -5.307 -14.558 -6.785 1.00 0.00 C ATOM 1779 O LEU B 6 -4.974 -15.543 -7.446 1.00 0.00 O ATOM 1780 CB LEU B 6 -6.930 -16.042 -5.600 1.00 0.00 C ATOM 1781 CG LEU B 6 -6.019 -16.777 -4.604 1.00 0.00 C ATOM 1782 CD1 LEU B 6 -5.070 -17.708 -5.340 1.00 0.00 C ATOM 1783 CD2 LEU B 6 -5.235 -15.798 -3.740 1.00 0.00 C ATOM 0 H LEU B 6 -8.178 -14.543 -7.241 1.00 0.00 H new ATOM 0 HA LEU B 6 -6.363 -14.078 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.946 -16.051 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -6.945 -16.607 -6.532 1.00 0.00 H new ATOM 0 HG LEU B 6 -6.655 -17.369 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -4.432 -18.221 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -5.645 -18.443 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.451 -17.129 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -4.601 -16.351 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -4.614 -15.168 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -5.929 -15.173 -3.177 1.00 0.00 H new ATOM 1795 N TYR B 7 -4.648 -13.406 -6.828 1.00 0.00 N ATOM 1796 CA TYR B 7 -3.480 -13.265 -7.680 1.00 0.00 C ATOM 1797 C TYR B 7 -2.189 -13.737 -7.037 1.00 0.00 C ATOM 1798 O TYR B 7 -1.718 -13.162 -6.060 1.00 0.00 O ATOM 1799 CB TYR B 7 -3.300 -11.810 -8.149 1.00 0.00 C ATOM 1800 CG TYR B 7 -4.566 -11.027 -8.438 1.00 0.00 C ATOM 1801 CD1 TYR B 7 -5.450 -10.657 -7.427 1.00 0.00 C ATOM 1802 CD2 TYR B 7 -4.834 -10.592 -9.731 1.00 0.00 C ATOM 1803 CE1 TYR B 7 -6.557 -9.880 -7.706 1.00 0.00 C ATOM 1804 CE2 TYR B 7 -5.947 -9.826 -10.015 1.00 0.00 C ATOM 1805 CZ TYR B 7 -6.803 -9.469 -8.999 1.00 0.00 C ATOM 1806 OH TYR B 7 -7.906 -8.694 -9.274 1.00 0.00 O ATOM 0 H TYR B 7 -4.898 -12.574 -6.294 1.00 0.00 H new ATOM 0 HA TYR B 7 -3.678 -13.914 -8.533 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -2.735 -11.274 -7.387 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -2.690 -11.816 -9.052 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -5.267 -10.982 -6.413 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -4.158 -10.859 -10.530 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -7.230 -9.594 -6.911 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -6.144 -9.509 -11.028 1.00 0.00 H new ATOM 0 HH TYR B 7 -8.707 -9.123 -8.907 1.00 0.00 H new ATOM 1816 N LYS B 8 -1.589 -14.749 -7.671 1.00 0.00 N ATOM 1817 CA LYS B 8 -0.304 -15.294 -7.251 1.00 0.00 C ATOM 1818 C LYS B 8 0.789 -14.765 -8.160 1.00 0.00 C ATOM 1819 O LYS B 8 0.715 -14.941 -9.368 1.00 0.00 O ATOM 1820 CB LYS B 8 -0.309 -16.816 -7.319 1.00 0.00 C ATOM 1821 CG LYS B 8 1.083 -17.441 -7.373 1.00 0.00 C ATOM 1822 CD LYS B 8 1.348 -18.323 -6.163 1.00 0.00 C ATOM 1823 CE LYS B 8 2.082 -19.596 -6.551 1.00 0.00 C ATOM 1824 NZ LYS B 8 1.803 -20.710 -5.602 1.00 0.00 N ATOM 0 H LYS B 8 -1.985 -15.211 -8.490 1.00 0.00 H new ATOM 0 HA LYS B 8 -0.122 -14.988 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -0.838 -17.206 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -0.870 -17.128 -8.200 1.00 0.00 H new ATOM 0 HG2 LYS B 8 1.182 -18.032 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS B 8 1.835 -16.653 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS B 8 1.937 -17.771 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS B 8 0.403 -18.578 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS B 8 1.786 -19.893 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS B 8 3.154 -19.403 -6.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 2.322 -21.560 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 2.109 -20.437 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 0.783 -20.912 -5.594 1.00 0.00 H new ATOM 1838 N ASN B 9 1.796 -14.128 -7.570 1.00 0.00 N ATOM 1839 CA ASN B 9 2.921 -13.563 -8.317 1.00 0.00 C ATOM 1840 C ASN B 9 2.972 -14.072 -9.767 1.00 0.00 C ATOM 1841 O ASN B 9 3.011 -15.282 -9.993 1.00 0.00 O ATOM 1842 CB ASN B 9 4.236 -13.889 -7.596 1.00 0.00 C ATOM 1843 CG ASN B 9 4.873 -12.664 -6.971 1.00 0.00 C ATOM 1844 OD1 ASN B 9 4.909 -11.567 -7.719 1.00 0.00 O flip ATOM 1845 ND2 ASN B 9 5.326 -12.701 -5.827 1.00 0.00 N flip ATOM 0 H ASN B 9 1.858 -13.988 -6.562 1.00 0.00 H new ATOM 0 HA ASN B 9 2.780 -12.483 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN B 9 4.047 -14.632 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN B 9 4.934 -14.337 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN B 9 5.278 -13.565 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN B 9 5.750 -11.868 -5.419 1.00 0.00 H new ATOM 1852 N LYS B 10 2.971 -13.139 -10.753 1.00 0.00 N ATOM 1853 CA LYS B 10 3.021 -13.507 -12.196 1.00 0.00 C ATOM 1854 C LYS B 10 3.925 -14.699 -12.394 1.00 0.00 C ATOM 1855 O LYS B 10 3.782 -15.480 -13.334 1.00 0.00 O ATOM 1856 CB LYS B 10 3.545 -12.374 -13.065 1.00 0.00 C ATOM 1857 CG LYS B 10 4.165 -11.288 -12.262 1.00 0.00 C ATOM 1858 CD LYS B 10 5.255 -11.830 -11.354 1.00 0.00 C ATOM 1859 CE LYS B 10 6.629 -11.720 -11.997 1.00 0.00 C ATOM 1860 NZ LYS B 10 7.723 -11.860 -10.997 1.00 0.00 N ATOM 0 H LYS B 10 2.936 -12.134 -10.580 1.00 0.00 H new ATOM 0 HA LYS B 10 1.998 -13.734 -12.495 1.00 0.00 H new ATOM 0 HB2 LYS B 10 4.279 -12.768 -13.768 1.00 0.00 H new ATOM 0 HB3 LYS B 10 2.726 -11.964 -13.656 1.00 0.00 H new ATOM 0 HG2 LYS B 10 4.584 -10.534 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS B 10 3.401 -10.794 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.249 -11.282 -10.412 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.046 -12.873 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS B 10 6.735 -12.490 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS B 10 6.718 -10.757 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 8.447 -12.511 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 8.152 -10.930 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 7.335 -12.237 -10.109 1.00 0.00 H new ATOM 1874 N ASP B 11 4.868 -14.802 -11.486 1.00 0.00 N ATOM 1875 CA ASP B 11 5.832 -15.838 -11.491 1.00 0.00 C ATOM 1876 C ASP B 11 5.665 -16.677 -10.227 1.00 0.00 C ATOM 1877 O ASP B 11 6.203 -16.341 -9.173 1.00 0.00 O ATOM 1878 CB ASP B 11 7.209 -15.174 -11.559 1.00 0.00 C ATOM 1879 CG ASP B 11 7.987 -15.575 -12.797 1.00 0.00 C ATOM 1880 OD1 ASP B 11 7.583 -15.172 -13.908 1.00 0.00 O ATOM 1881 OD2 ASP B 11 8.999 -16.293 -12.656 1.00 0.00 O ATOM 0 H ASP B 11 4.974 -14.145 -10.713 1.00 0.00 H new ATOM 0 HA ASP B 11 5.714 -16.506 -12.344 1.00 0.00 H new ATOM 0 HB2 ASP B 11 7.087 -14.091 -11.545 1.00 0.00 H new ATOM 0 HB3 ASP B 11 7.782 -15.442 -10.671 1.00 0.00 H new ATOM 1886 N LYS B 12 4.890 -17.756 -10.332 1.00 0.00 N ATOM 1887 CA LYS B 12 4.621 -18.627 -9.188 1.00 0.00 C ATOM 1888 C LYS B 12 5.903 -18.959 -8.417 1.00 0.00 C ATOM 1889 O LYS B 12 5.848 -19.311 -7.239 1.00 0.00 O ATOM 1890 CB LYS B 12 3.907 -19.908 -9.646 1.00 0.00 C ATOM 1891 CG LYS B 12 2.526 -19.657 -10.255 1.00 0.00 C ATOM 1892 CD LYS B 12 2.601 -19.537 -11.768 1.00 0.00 C ATOM 1893 CE LYS B 12 1.357 -20.103 -12.435 1.00 0.00 C ATOM 1894 NZ LYS B 12 1.590 -20.417 -13.871 1.00 0.00 N ATOM 0 H LYS B 12 4.437 -18.048 -11.198 1.00 0.00 H new ATOM 0 HA LYS B 12 3.963 -18.089 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS B 12 4.531 -20.419 -10.380 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.802 -20.580 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.854 -20.472 -9.986 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.103 -18.744 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.719 -18.490 -12.045 1.00 0.00 H new ATOM 0 HD3 LYS B 12 3.482 -20.065 -12.133 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.044 -21.007 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS B 12 0.541 -19.386 -12.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 0.718 -20.800 -14.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.864 -19.550 -14.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.351 -21.121 -13.953 1.00 0.00 H new ATOM 1908 N SER B 13 7.058 -18.819 -9.070 1.00 0.00 N ATOM 1909 CA SER B 13 8.337 -19.078 -8.415 1.00 0.00 C ATOM 1910 C SER B 13 8.525 -18.122 -7.236 1.00 0.00 C ATOM 1911 O SER B 13 9.094 -18.487 -6.207 1.00 0.00 O ATOM 1912 CB SER B 13 9.489 -18.919 -9.409 1.00 0.00 C ATOM 1913 OG SER B 13 9.697 -20.112 -10.145 1.00 0.00 O ATOM 0 H SER B 13 7.132 -18.530 -10.045 1.00 0.00 H new ATOM 0 HA SER B 13 8.337 -20.103 -8.045 1.00 0.00 H new ATOM 0 HB2 SER B 13 9.272 -18.099 -10.094 1.00 0.00 H new ATOM 0 HB3 SER B 13 10.401 -18.655 -8.874 1.00 0.00 H new ATOM 0 HG SER B 13 10.437 -19.983 -10.774 1.00 0.00 H new ATOM 1919 N SER B 14 8.017 -16.900 -7.396 1.00 0.00 N ATOM 1920 CA SER B 14 8.091 -15.876 -6.351 1.00 0.00 C ATOM 1921 C SER B 14 7.510 -16.387 -5.060 1.00 0.00 C ATOM 1922 O SER B 14 7.874 -15.936 -3.979 1.00 0.00 O ATOM 1923 CB SER B 14 7.281 -14.650 -6.764 1.00 0.00 C ATOM 1924 OG SER B 14 7.359 -14.428 -8.161 1.00 0.00 O ATOM 0 H SER B 14 7.546 -16.592 -8.247 1.00 0.00 H new ATOM 0 HA SER B 14 9.142 -15.620 -6.214 1.00 0.00 H new ATOM 0 HB2 SER B 14 6.239 -14.785 -6.473 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.650 -13.772 -6.233 1.00 0.00 H new ATOM 0 HG SER B 14 6.659 -14.943 -8.614 1.00 0.00 H new ATOM 1930 N ALA B 15 6.569 -17.296 -5.186 1.00 0.00 N ATOM 1931 CA ALA B 15 5.888 -17.827 -4.035 1.00 0.00 C ATOM 1932 C ALA B 15 6.846 -18.304 -2.954 1.00 0.00 C ATOM 1933 O ALA B 15 6.477 -18.342 -1.780 1.00 0.00 O ATOM 1934 CB ALA B 15 4.947 -18.946 -4.452 1.00 0.00 C ATOM 0 H ALA B 15 6.260 -17.681 -6.078 1.00 0.00 H new ATOM 0 HA ALA B 15 5.309 -17.013 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.438 -19.340 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA B 15 4.210 -18.558 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA B 15 5.518 -19.743 -4.928 1.00 0.00 H new ATOM 1940 N LYS B 16 8.079 -18.647 -3.327 1.00 0.00 N ATOM 1941 CA LYS B 16 9.049 -19.086 -2.330 1.00 0.00 C ATOM 1942 C LYS B 16 9.055 -18.073 -1.194 1.00 0.00 C ATOM 1943 O LYS B 16 8.965 -18.427 -0.019 1.00 0.00 O ATOM 1944 CB LYS B 16 10.445 -19.205 -2.947 1.00 0.00 C ATOM 1945 CG LYS B 16 10.537 -20.251 -4.045 1.00 0.00 C ATOM 1946 CD LYS B 16 10.412 -21.659 -3.486 1.00 0.00 C ATOM 1947 CE LYS B 16 9.613 -22.558 -4.414 1.00 0.00 C ATOM 1948 NZ LYS B 16 8.757 -23.516 -3.661 1.00 0.00 N ATOM 0 H LYS B 16 8.422 -18.630 -4.288 1.00 0.00 H new ATOM 0 HA LYS B 16 8.771 -20.070 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS B 16 10.737 -18.237 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS B 16 11.160 -19.450 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS B 16 9.750 -20.079 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS B 16 11.488 -20.149 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS B 16 11.406 -22.081 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS B 16 9.930 -21.622 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS B 16 8.987 -21.945 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS B 16 10.295 -23.111 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 8.229 -24.110 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 9.356 -24.119 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.088 -22.989 -3.064 1.00 0.00 H new ATOM 1962 N THR B 17 9.099 -16.802 -1.578 1.00 0.00 N ATOM 1963 CA THR B 17 9.042 -15.706 -0.628 1.00 0.00 C ATOM 1964 C THR B 17 7.666 -15.050 -0.678 1.00 0.00 C ATOM 1965 O THR B 17 7.063 -14.758 0.355 1.00 0.00 O ATOM 1966 CB THR B 17 10.125 -14.667 -0.916 1.00 0.00 C ATOM 1967 OG1 THR B 17 11.417 -15.235 -0.785 1.00 0.00 O ATOM 1968 CG2 THR B 17 10.052 -13.469 0.007 1.00 0.00 C ATOM 0 H THR B 17 9.175 -16.507 -2.552 1.00 0.00 H new ATOM 0 HA THR B 17 9.218 -16.110 0.369 1.00 0.00 H new ATOM 0 HB THR B 17 9.947 -14.335 -1.939 1.00 0.00 H new ATOM 0 HG1 THR B 17 12.095 -14.553 -0.975 1.00 0.00 H new ATOM 0 HG21 THR B 17 10.846 -12.766 -0.246 1.00 0.00 H new ATOM 0 HG22 THR B 17 9.084 -12.980 -0.107 1.00 0.00 H new ATOM 0 HG23 THR B 17 10.173 -13.797 1.039 1.00 0.00 H new ATOM 1976 N TYR B 18 7.186 -14.803 -1.901 1.00 0.00 N ATOM 1977 CA TYR B 18 5.890 -14.158 -2.106 1.00 0.00 C ATOM 1978 C TYR B 18 5.079 -14.850 -3.186 1.00 0.00 C ATOM 1979 O TYR B 18 5.420 -14.767 -4.365 1.00 0.00 O ATOM 1980 CB TYR B 18 6.098 -12.737 -2.559 1.00 0.00 C ATOM 1981 CG TYR B 18 6.812 -11.860 -1.554 1.00 0.00 C ATOM 1982 CD1 TYR B 18 6.261 -11.613 -0.302 1.00 0.00 C ATOM 1983 CD2 TYR B 18 8.036 -11.278 -1.859 1.00 0.00 C ATOM 1984 CE1 TYR B 18 6.911 -10.812 0.617 1.00 0.00 C ATOM 1985 CE2 TYR B 18 8.692 -10.476 -0.944 1.00 0.00 C ATOM 1986 CZ TYR B 18 8.125 -10.246 0.292 1.00 0.00 C ATOM 1987 OH TYR B 18 8.775 -9.447 1.204 1.00 0.00 O ATOM 0 H TYR B 18 7.677 -15.041 -2.763 1.00 0.00 H new ATOM 0 HA TYR B 18 5.357 -14.209 -1.157 1.00 0.00 H new ATOM 0 HB2 TYR B 18 6.669 -12.744 -3.487 1.00 0.00 H new ATOM 0 HB3 TYR B 18 5.128 -12.295 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR B 18 5.310 -12.054 -0.044 1.00 0.00 H new ATOM 0 HD2 TYR B 18 8.482 -11.455 -2.826 1.00 0.00 H new ATOM 0 HE1 TYR B 18 6.470 -10.630 1.586 1.00 0.00 H new ATOM 0 HE2 TYR B 18 9.644 -10.032 -1.196 1.00 0.00 H new ATOM 0 HH TYR B 18 9.618 -9.129 0.818 1.00 0.00 H new ATOM 1997 N PRO B 19 4.009 -15.559 -2.820 1.00 0.00 N ATOM 1998 CA PRO B 19 3.192 -16.270 -3.783 1.00 0.00 C ATOM 1999 C PRO B 19 2.064 -15.444 -4.395 1.00 0.00 C ATOM 2000 O PRO B 19 1.815 -15.551 -5.588 1.00 0.00 O ATOM 2001 CB PRO B 19 2.604 -17.428 -2.970 1.00 0.00 C ATOM 2002 CG PRO B 19 2.994 -17.179 -1.542 1.00 0.00 C ATOM 2003 CD PRO B 19 3.528 -15.775 -1.462 1.00 0.00 C ATOM 0 HA PRO B 19 3.796 -16.568 -4.640 1.00 0.00 H new ATOM 0 HB2 PRO B 19 1.520 -17.467 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO B 19 2.993 -18.385 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO B 19 2.135 -17.302 -0.882 1.00 0.00 H new ATOM 0 HG3 PRO B 19 3.749 -17.896 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO B 19 2.755 -15.059 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO B 19 4.327 -15.683 -0.726 1.00 0.00 H new ATOM 2011 N TYR B 20 1.346 -14.664 -3.588 1.00 0.00 N ATOM 2012 CA TYR B 20 0.214 -13.896 -4.119 1.00 0.00 C ATOM 2013 C TYR B 20 -0.048 -12.601 -3.399 1.00 0.00 C ATOM 2014 O TYR B 20 0.609 -12.238 -2.426 1.00 0.00 O ATOM 2015 CB TYR B 20 -1.100 -14.695 -4.055 1.00 0.00 C ATOM 2016 CG TYR B 20 -0.971 -16.048 -3.454 1.00 0.00 C ATOM 2017 CD1 TYR B 20 -0.346 -16.221 -2.231 1.00 0.00 C ATOM 2018 CD2 TYR B 20 -1.459 -17.147 -4.125 1.00 0.00 C ATOM 2019 CE1 TYR B 20 -0.202 -17.465 -1.677 1.00 0.00 C ATOM 2020 CE2 TYR B 20 -1.317 -18.412 -3.589 1.00 0.00 C ATOM 2021 CZ TYR B 20 -0.687 -18.566 -2.363 1.00 0.00 C ATOM 2022 OH TYR B 20 -0.529 -19.821 -1.840 1.00 0.00 O ATOM 0 H TYR B 20 1.519 -14.546 -2.590 1.00 0.00 H new ATOM 0 HA TYR B 20 0.512 -13.684 -5.146 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -1.830 -14.124 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR B 20 -1.498 -14.796 -5.065 1.00 0.00 H new ATOM 0 HD1 TYR B 20 0.035 -15.359 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -1.955 -17.019 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR B 20 0.283 -17.586 -0.719 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -1.693 -19.274 -4.120 1.00 0.00 H new ATOM 0 HH TYR B 20 -1.330 -20.067 -1.332 1.00 0.00 H new ATOM 2032 N PHE B 21 -1.091 -11.958 -3.899 1.00 0.00 N ATOM 2033 CA PHE B 21 -1.613 -10.732 -3.364 1.00 0.00 C ATOM 2034 C PHE B 21 -3.056 -10.615 -3.788 1.00 0.00 C ATOM 2035 O PHE B 21 -3.504 -11.310 -4.700 1.00 0.00 O ATOM 2036 CB PHE B 21 -0.857 -9.506 -3.836 1.00 0.00 C ATOM 2037 CG PHE B 21 0.516 -9.780 -4.390 1.00 0.00 C ATOM 2038 CD1 PHE B 21 0.675 -10.386 -5.626 1.00 0.00 C ATOM 2039 CD2 PHE B 21 1.647 -9.427 -3.672 1.00 0.00 C ATOM 2040 CE1 PHE B 21 1.936 -10.636 -6.135 1.00 0.00 C ATOM 2041 CE2 PHE B 21 2.910 -9.675 -4.175 1.00 0.00 C ATOM 2042 CZ PHE B 21 3.055 -10.280 -5.408 1.00 0.00 C ATOM 0 H PHE B 21 -1.606 -12.293 -4.713 1.00 0.00 H new ATOM 0 HA PHE B 21 -1.507 -10.769 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE B 21 -1.449 -9.006 -4.603 1.00 0.00 H new ATOM 0 HB3 PHE B 21 -0.764 -8.811 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE B 21 -0.197 -10.666 -6.199 1.00 0.00 H new ATOM 0 HD2 PHE B 21 1.540 -8.952 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE B 21 2.046 -11.109 -7.100 1.00 0.00 H new ATOM 0 HE2 PHE B 21 3.783 -9.396 -3.604 1.00 0.00 H new ATOM 0 HZ PHE B 21 4.041 -10.474 -5.803 1.00 0.00 H new ATOM 2052 N VAL B 22 -3.782 -9.746 -3.131 1.00 0.00 N ATOM 2053 CA VAL B 22 -5.175 -9.555 -3.449 1.00 0.00 C ATOM 2054 C VAL B 22 -5.425 -8.153 -3.971 1.00 0.00 C ATOM 2055 O VAL B 22 -5.391 -7.181 -3.220 1.00 0.00 O ATOM 2056 CB VAL B 22 -6.041 -9.812 -2.218 1.00 0.00 C ATOM 2057 CG1 VAL B 22 -7.519 -9.751 -2.578 1.00 0.00 C ATOM 2058 CG2 VAL B 22 -5.689 -11.157 -1.594 1.00 0.00 C ATOM 0 H VAL B 22 -3.432 -9.160 -2.373 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.443 -10.268 -4.229 1.00 0.00 H new ATOM 0 HB VAL B 22 -5.841 -9.031 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -8.119 -9.937 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -7.756 -8.764 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.742 -10.508 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -6.314 -11.326 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.860 -11.951 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.640 -11.157 -1.297 1.00 0.00 H new ATOM 2068 N ASP B 23 -5.674 -8.057 -5.267 1.00 0.00 N ATOM 2069 CA ASP B 23 -5.933 -6.760 -5.896 1.00 0.00 C ATOM 2070 C ASP B 23 -7.126 -6.073 -5.225 1.00 0.00 C ATOM 2071 O ASP B 23 -8.262 -6.530 -5.357 1.00 0.00 O ATOM 2072 CB ASP B 23 -6.207 -6.942 -7.388 1.00 0.00 C ATOM 2073 CG ASP B 23 -6.352 -5.622 -8.118 1.00 0.00 C ATOM 2074 OD1 ASP B 23 -6.171 -4.564 -7.479 1.00 0.00 O ATOM 2075 OD2 ASP B 23 -6.649 -5.648 -9.329 1.00 0.00 O ATOM 0 H ASP B 23 -5.704 -8.852 -5.905 1.00 0.00 H new ATOM 0 HA ASP B 23 -5.051 -6.132 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -5.394 -7.514 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -7.117 -7.527 -7.518 1.00 0.00 H new ATOM 2080 N VAL B 24 -6.869 -4.988 -4.489 1.00 0.00 N ATOM 2081 CA VAL B 24 -7.945 -4.279 -3.792 1.00 0.00 C ATOM 2082 C VAL B 24 -7.598 -2.828 -3.487 1.00 0.00 C ATOM 2083 O VAL B 24 -6.737 -2.547 -2.655 1.00 0.00 O ATOM 2084 CB VAL B 24 -8.314 -4.999 -2.479 1.00 0.00 C ATOM 2085 CG1 VAL B 24 -7.062 -5.308 -1.673 1.00 0.00 C ATOM 2086 CG2 VAL B 24 -9.304 -4.177 -1.659 1.00 0.00 C ATOM 0 H VAL B 24 -5.940 -4.586 -4.361 1.00 0.00 H new ATOM 0 HA VAL B 24 -8.798 -4.281 -4.471 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.800 -5.941 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -7.340 -5.816 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -6.403 -5.951 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -6.544 -4.379 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -9.545 -4.710 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.860 -3.212 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -10.214 -4.021 -2.238 1.00 0.00 H new ATOM 2096 N GLN B 25 -8.312 -1.909 -4.137 1.00 0.00 N ATOM 2097 CA GLN B 25 -8.115 -0.483 -3.906 1.00 0.00 C ATOM 2098 C GLN B 25 -8.888 0.364 -4.909 1.00 0.00 C ATOM 2099 O GLN B 25 -10.041 0.725 -4.672 1.00 0.00 O ATOM 2100 CB GLN B 25 -6.631 -0.113 -3.936 1.00 0.00 C ATOM 2101 CG GLN B 25 -6.369 1.386 -3.957 1.00 0.00 C ATOM 2102 CD GLN B 25 -5.098 1.765 -3.222 1.00 0.00 C ATOM 2103 OE1 GLN B 25 -4.984 1.568 -2.012 1.00 0.00 O ATOM 2104 NE2 GLN B 25 -4.134 2.314 -3.952 1.00 0.00 N ATOM 0 H GLN B 25 -9.031 -2.129 -4.827 1.00 0.00 H new ATOM 0 HA GLN B 25 -8.505 -0.269 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN B 25 -6.141 -0.545 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN B 25 -6.172 -0.564 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN B 25 -6.302 1.725 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN B 25 -7.214 1.905 -3.506 1.00 0.00 H new ATOM 0 HE21 GLN B 25 -4.271 2.459 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN B 25 -3.256 2.591 -3.512 1.00 0.00 H new ATOM 2113 N SER B 26 -8.244 0.695 -6.021 1.00 0.00 N ATOM 2114 CA SER B 26 -8.883 1.522 -7.042 1.00 0.00 C ATOM 2115 C SER B 26 -9.904 0.746 -7.840 1.00 0.00 C ATOM 2116 O SER B 26 -9.571 -0.236 -8.493 1.00 0.00 O ATOM 2117 CB SER B 26 -7.868 2.097 -8.017 1.00 0.00 C ATOM 2118 OG SER B 26 -7.017 3.033 -7.378 1.00 0.00 O ATOM 0 H SER B 26 -7.290 0.408 -6.240 1.00 0.00 H new ATOM 0 HA SER B 26 -9.376 2.329 -6.500 1.00 0.00 H new ATOM 0 HB2 SER B 26 -7.271 1.290 -8.443 1.00 0.00 H new ATOM 0 HB3 SER B 26 -8.388 2.580 -8.845 1.00 0.00 H new ATOM 0 HG SER B 26 -7.416 3.927 -7.430 1.00 0.00 H new ATOM 2124 N ASP B 27 -11.135 1.226 -7.841 1.00 0.00 N ATOM 2125 CA ASP B 27 -12.169 0.599 -8.637 1.00 0.00 C ATOM 2126 C ASP B 27 -12.005 1.100 -10.063 1.00 0.00 C ATOM 2127 O ASP B 27 -12.211 0.367 -11.030 1.00 0.00 O ATOM 2128 CB ASP B 27 -13.561 0.940 -8.100 1.00 0.00 C ATOM 2129 CG ASP B 27 -14.099 -0.129 -7.169 1.00 0.00 C ATOM 2130 OD1 ASP B 27 -13.303 -0.692 -6.388 1.00 0.00 O ATOM 2131 OD2 ASP B 27 -15.316 -0.404 -7.221 1.00 0.00 O ATOM 0 H ASP B 27 -11.439 2.039 -7.305 1.00 0.00 H new ATOM 0 HA ASP B 27 -12.073 -0.486 -8.596 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.520 1.892 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -14.248 1.069 -8.936 1.00 0.00 H new ATOM 2136 N LEU B 28 -11.587 2.362 -10.167 1.00 0.00 N ATOM 2137 CA LEU B 28 -11.335 2.993 -11.450 1.00 0.00 C ATOM 2138 C LEU B 28 -9.920 2.686 -11.901 1.00 0.00 C ATOM 2139 O LEU B 28 -9.691 2.186 -13.003 1.00 0.00 O ATOM 2140 CB LEU B 28 -11.538 4.507 -11.360 1.00 0.00 C ATOM 2141 CG LEU B 28 -12.967 4.957 -11.054 1.00 0.00 C ATOM 2142 CD1 LEU B 28 -13.464 4.314 -9.769 1.00 0.00 C ATOM 2143 CD2 LEU B 28 -13.035 6.473 -10.954 1.00 0.00 C ATOM 0 H LEU B 28 -11.416 2.968 -9.364 1.00 0.00 H new ATOM 0 HA LEU B 28 -12.042 2.595 -12.178 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.877 4.900 -10.587 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -11.227 4.956 -12.304 1.00 0.00 H new ATOM 0 HG LEU B 28 -13.614 4.636 -11.871 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -14.482 4.645 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -13.450 3.229 -9.876 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -12.816 4.606 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -14.059 6.778 -10.736 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -12.377 6.815 -10.155 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -12.719 6.915 -11.899 1.00 0.00 H new ATOM 2155 N LEU B 29 -8.979 2.979 -11.018 1.00 0.00 N ATOM 2156 CA LEU B 29 -7.570 2.735 -11.272 1.00 0.00 C ATOM 2157 C LEU B 29 -7.194 1.314 -10.858 1.00 0.00 C ATOM 2158 O LEU B 29 -6.051 1.048 -10.487 1.00 0.00 O ATOM 2159 CB LEU B 29 -6.729 3.741 -10.488 1.00 0.00 C ATOM 2160 CG LEU B 29 -7.053 5.203 -10.778 1.00 0.00 C ATOM 2161 CD1 LEU B 29 -6.622 6.087 -9.618 1.00 0.00 C ATOM 2162 CD2 LEU B 29 -6.389 5.652 -12.073 1.00 0.00 C ATOM 0 H LEU B 29 -9.171 3.392 -10.106 1.00 0.00 H new ATOM 0 HA LEU B 29 -7.377 2.851 -12.339 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -6.866 3.557 -9.422 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -5.676 3.565 -10.709 1.00 0.00 H new ATOM 0 HG LEU B 29 -8.132 5.298 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -6.862 7.126 -9.844 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -7.148 5.782 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -5.547 5.988 -9.464 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.632 6.698 -12.263 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -5.308 5.541 -11.985 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -6.751 5.040 -12.899 1.00 0.00 H new ATOM 2174 N ASP B 30 -8.172 0.411 -10.900 1.00 0.00 N ATOM 2175 CA ASP B 30 -7.954 -0.974 -10.502 1.00 0.00 C ATOM 2176 C ASP B 30 -6.778 -1.600 -11.256 1.00 0.00 C ATOM 2177 O ASP B 30 -5.788 -1.987 -10.643 1.00 0.00 O ATOM 2178 CB ASP B 30 -9.240 -1.778 -10.741 1.00 0.00 C ATOM 2179 CG ASP B 30 -9.920 -1.424 -12.051 1.00 0.00 C ATOM 2180 OD1 ASP B 30 -9.263 -0.804 -12.914 1.00 0.00 O ATOM 2181 OD2 ASP B 30 -11.110 -1.763 -12.212 1.00 0.00 O ATOM 0 H ASP B 30 -9.123 0.616 -11.206 1.00 0.00 H new ATOM 0 HA ASP B 30 -7.702 -0.994 -9.442 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -9.004 -2.842 -10.735 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -9.932 -1.601 -9.918 1.00 0.00 H new ATOM 2186 N ASN B 31 -6.873 -1.666 -12.580 1.00 0.00 N ATOM 2187 CA ASN B 31 -5.792 -2.210 -13.408 1.00 0.00 C ATOM 2188 C ASN B 31 -5.353 -1.187 -14.443 1.00 0.00 C ATOM 2189 O ASN B 31 -4.536 -1.476 -15.317 1.00 0.00 O ATOM 2190 CB ASN B 31 -6.233 -3.518 -14.082 1.00 0.00 C ATOM 2191 CG ASN B 31 -5.424 -3.872 -15.317 1.00 0.00 C ATOM 2192 OD1 ASN B 31 -4.420 -4.576 -15.234 1.00 0.00 O ATOM 2193 ND2 ASN B 31 -5.862 -3.382 -16.472 1.00 0.00 N ATOM 0 H ASN B 31 -7.687 -1.350 -13.107 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.940 -2.433 -12.765 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.154 -4.332 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.284 -3.437 -14.358 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -5.360 -3.586 -17.336 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.701 -2.802 -16.495 1.00 0.00 H new ATOM 2200 N LEU B 32 -5.902 0.012 -14.334 1.00 0.00 N ATOM 2201 CA LEU B 32 -5.572 1.091 -15.263 1.00 0.00 C ATOM 2202 C LEU B 32 -4.088 1.090 -15.554 1.00 0.00 C ATOM 2203 O LEU B 32 -3.642 0.681 -16.626 1.00 0.00 O ATOM 2204 CB LEU B 32 -5.951 2.448 -14.682 1.00 0.00 C ATOM 2205 CG LEU B 32 -7.180 3.109 -15.309 1.00 0.00 C ATOM 2206 CD1 LEU B 32 -7.412 4.486 -14.708 1.00 0.00 C ATOM 2207 CD2 LEU B 32 -7.021 3.204 -16.819 1.00 0.00 C ATOM 0 H LEU B 32 -6.578 0.267 -13.614 1.00 0.00 H new ATOM 0 HA LEU B 32 -6.136 0.922 -16.180 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.128 2.330 -13.613 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -5.101 3.122 -14.792 1.00 0.00 H new ATOM 0 HG LEU B 32 -8.051 2.491 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -8.290 4.940 -15.167 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -7.571 4.392 -13.634 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -6.541 5.115 -14.892 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -7.904 3.677 -17.249 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -6.139 3.800 -17.055 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -6.905 2.204 -17.236 1.00 0.00 H new ATOM 2219 N ASN B 33 -3.331 1.543 -14.571 1.00 0.00 N ATOM 2220 CA ASN B 33 -1.896 1.591 -14.686 1.00 0.00 C ATOM 2221 C ASN B 33 -1.242 0.689 -13.641 1.00 0.00 C ATOM 2222 O ASN B 33 -0.076 0.327 -13.778 1.00 0.00 O ATOM 2223 CB ASN B 33 -1.396 3.028 -14.525 1.00 0.00 C ATOM 2224 CG ASN B 33 -1.453 3.808 -15.824 1.00 0.00 C ATOM 2225 OD1 ASN B 33 -2.029 4.895 -15.884 1.00 0.00 O ATOM 2226 ND2 ASN B 33 -0.854 3.256 -16.873 1.00 0.00 N ATOM 0 H ASN B 33 -3.695 1.884 -13.681 1.00 0.00 H new ATOM 0 HA ASN B 33 -1.621 1.231 -15.677 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -1.998 3.537 -13.772 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -0.370 3.014 -14.157 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -0.859 3.735 -17.774 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -0.389 2.353 -16.778 1.00 0.00 H new ATOM 2233 N THR B 34 -2.010 0.323 -12.605 1.00 0.00 N ATOM 2234 CA THR B 34 -1.514 -0.542 -11.532 1.00 0.00 C ATOM 2235 C THR B 34 -2.668 -0.942 -10.628 1.00 0.00 C ATOM 2236 O THR B 34 -3.815 -0.571 -10.875 1.00 0.00 O ATOM 2237 CB THR B 34 -0.445 0.161 -10.683 1.00 0.00 C ATOM 2238 OG1 THR B 34 -0.927 1.401 -10.199 1.00 0.00 O ATOM 2239 CG2 THR B 34 0.851 0.429 -11.416 1.00 0.00 C ATOM 0 H THR B 34 -2.980 0.615 -12.490 1.00 0.00 H new ATOM 0 HA THR B 34 -1.065 -1.420 -11.996 1.00 0.00 H new ATOM 0 HB THR B 34 -0.235 -0.534 -9.870 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.296 2.112 -10.437 1.00 0.00 H new ATOM 0 HG21 THR B 34 1.552 0.927 -10.746 1.00 0.00 H new ATOM 0 HG22 THR B 34 1.280 -0.515 -11.753 1.00 0.00 H new ATOM 0 HG23 THR B 34 0.656 1.068 -12.278 1.00 0.00 H new ATOM 2247 N ARG B 35 -2.362 -1.676 -9.568 1.00 0.00 N ATOM 2248 CA ARG B 35 -3.385 -2.095 -8.620 1.00 0.00 C ATOM 2249 C ARG B 35 -2.794 -2.289 -7.233 1.00 0.00 C ATOM 2250 O ARG B 35 -1.616 -2.621 -7.095 1.00 0.00 O ATOM 2251 CB ARG B 35 -4.065 -3.390 -9.085 1.00 0.00 C ATOM 2252 CG ARG B 35 -3.768 -3.773 -10.531 1.00 0.00 C ATOM 2253 CD ARG B 35 -4.674 -4.898 -10.999 1.00 0.00 C ATOM 2254 NE ARG B 35 -4.332 -5.369 -12.340 1.00 0.00 N ATOM 2255 CZ ARG B 35 -4.764 -6.522 -12.852 1.00 0.00 C ATOM 2256 NH1 ARG B 35 -5.531 -7.330 -12.131 1.00 0.00 N ATOM 2257 NH2 ARG B 35 -4.422 -6.871 -14.084 1.00 0.00 N ATOM 0 H ARG B 35 -1.419 -1.993 -9.343 1.00 0.00 H new ATOM 0 HA ARG B 35 -4.134 -1.305 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -3.750 -4.205 -8.434 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.143 -3.284 -8.964 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -3.901 -2.904 -11.175 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -2.726 -4.080 -10.622 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -4.608 -5.729 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -5.709 -4.555 -10.990 1.00 0.00 H new ATOM 0 HE ARG B 35 -3.729 -4.782 -12.917 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -5.793 -7.070 -11.180 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -5.859 -8.211 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -3.828 -6.257 -14.641 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -4.753 -7.753 -14.475 1.00 0.00 H new ATOM 2271 N LEU B 36 -3.616 -2.107 -6.201 1.00 0.00 N ATOM 2272 CA LEU B 36 -3.143 -2.299 -4.840 1.00 0.00 C ATOM 2273 C LEU B 36 -3.099 -3.784 -4.549 1.00 0.00 C ATOM 2274 O LEU B 36 -4.011 -4.521 -4.915 1.00 0.00 O ATOM 2275 CB LEU B 36 -4.057 -1.589 -3.847 1.00 0.00 C ATOM 2276 CG LEU B 36 -3.548 -1.512 -2.403 1.00 0.00 C ATOM 2277 CD1 LEU B 36 -3.445 -2.899 -1.786 1.00 0.00 C ATOM 2278 CD2 LEU B 36 -2.206 -0.793 -2.345 1.00 0.00 C ATOM 0 H LEU B 36 -4.595 -1.832 -6.282 1.00 0.00 H new ATOM 0 HA LEU B 36 -2.145 -1.872 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.231 -0.574 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.022 -2.096 -3.845 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.269 -0.939 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.082 -2.816 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.428 -3.371 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.752 -3.506 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -1.861 -0.748 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.477 -1.334 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.318 0.219 -2.734 1.00 0.00 H new ATOM 2290 N VAL B 37 -2.026 -4.228 -3.923 1.00 0.00 N ATOM 2291 CA VAL B 37 -1.865 -5.636 -3.630 1.00 0.00 C ATOM 2292 C VAL B 37 -1.817 -5.939 -2.146 1.00 0.00 C ATOM 2293 O VAL B 37 -1.065 -5.326 -1.389 1.00 0.00 O ATOM 2294 CB VAL B 37 -0.568 -6.198 -4.259 1.00 0.00 C ATOM 2295 CG1 VAL B 37 -0.594 -6.060 -5.771 1.00 0.00 C ATOM 2296 CG2 VAL B 37 0.666 -5.520 -3.676 1.00 0.00 C ATOM 0 H VAL B 37 -1.257 -3.636 -3.609 1.00 0.00 H new ATOM 0 HA VAL B 37 -2.746 -6.112 -4.060 1.00 0.00 H new ATOM 0 HB VAL B 37 -0.514 -7.259 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL B 37 0.329 -6.462 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL B 37 -1.445 -6.611 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL B 37 -0.685 -5.007 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL B 37 1.562 -5.936 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL B 37 0.620 -4.449 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL B 37 0.700 -5.690 -2.600 1.00 0.00 H new ATOM 2306 N ILE B 38 -2.551 -6.967 -1.762 1.00 0.00 N ATOM 2307 CA ILE B 38 -2.508 -7.444 -0.402 1.00 0.00 C ATOM 2308 C ILE B 38 -1.751 -8.750 -0.494 1.00 0.00 C ATOM 2309 O ILE B 38 -2.330 -9.804 -0.748 1.00 0.00 O ATOM 2310 CB ILE B 38 -3.908 -7.691 0.190 1.00 0.00 C ATOM 2311 CG1 ILE B 38 -4.844 -6.529 -0.144 1.00 0.00 C ATOM 2312 CG2 ILE B 38 -3.810 -7.886 1.695 1.00 0.00 C ATOM 2313 CD1 ILE B 38 -4.446 -5.223 0.507 1.00 0.00 C ATOM 0 H ILE B 38 -3.181 -7.484 -2.375 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.043 -6.709 0.255 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.321 -8.597 -0.253 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.869 -6.393 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -5.856 -6.787 0.168 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -4.805 -8.060 2.105 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.174 -8.744 1.910 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.381 -6.993 2.150 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -5.155 -4.445 0.225 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -4.449 -5.341 1.591 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.447 -4.941 0.175 1.00 0.00 H new ATOM 2325 N PRO B 39 -0.421 -8.665 -0.377 1.00 0.00 N ATOM 2326 CA PRO B 39 0.464 -9.809 -0.546 1.00 0.00 C ATOM 2327 C PRO B 39 0.087 -11.043 0.273 1.00 0.00 C ATOM 2328 O PRO B 39 0.431 -11.157 1.443 1.00 0.00 O ATOM 2329 CB PRO B 39 1.849 -9.282 -0.140 1.00 0.00 C ATOM 2330 CG PRO B 39 1.638 -7.898 0.389 1.00 0.00 C ATOM 2331 CD PRO B 39 0.335 -7.421 -0.174 1.00 0.00 C ATOM 0 HA PRO B 39 0.411 -10.169 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO B 39 2.301 -9.922 0.618 1.00 0.00 H new ATOM 0 HB3 PRO B 39 2.526 -9.272 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO B 39 1.612 -7.899 1.479 1.00 0.00 H new ATOM 0 HG3 PRO B 39 2.454 -7.240 0.090 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -0.177 -6.747 0.512 1.00 0.00 H new ATOM 0 HD3 PRO B 39 0.475 -6.878 -1.109 1.00 0.00 H new ATOM 2339 N LEU B 40 -0.576 -11.987 -0.382 1.00 0.00 N ATOM 2340 CA LEU B 40 -0.957 -13.249 0.237 1.00 0.00 C ATOM 2341 C LEU B 40 0.265 -14.126 0.357 1.00 0.00 C ATOM 2342 O LEU B 40 1.228 -13.958 -0.388 1.00 0.00 O ATOM 2343 CB LEU B 40 -2.006 -13.961 -0.617 1.00 0.00 C ATOM 2344 CG LEU B 40 -3.435 -13.815 -0.130 1.00 0.00 C ATOM 2345 CD1 LEU B 40 -4.413 -14.260 -1.206 1.00 0.00 C ATOM 2346 CD2 LEU B 40 -3.640 -14.612 1.148 1.00 0.00 C ATOM 0 H LEU B 40 -0.864 -11.899 -1.356 1.00 0.00 H new ATOM 0 HA LEU B 40 -1.377 -13.052 1.223 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.944 -13.578 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -1.759 -15.022 -0.660 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.624 -12.764 0.086 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -5.433 -14.148 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.278 -13.646 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.229 -15.305 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.670 -14.498 1.486 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.435 -15.665 0.957 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.962 -14.245 1.919 1.00 0.00 H new ATOM 2358 N THR B 41 0.235 -15.055 1.290 1.00 0.00 N ATOM 2359 CA THR B 41 1.361 -15.941 1.478 1.00 0.00 C ATOM 2360 C THR B 41 0.945 -17.210 2.202 1.00 0.00 C ATOM 2361 O THR B 41 -0.150 -17.281 2.758 1.00 0.00 O ATOM 2362 CB THR B 41 2.486 -15.193 2.185 1.00 0.00 C ATOM 2363 OG1 THR B 41 3.339 -16.067 2.898 1.00 0.00 O ATOM 2364 CG2 THR B 41 2.018 -14.125 3.153 1.00 0.00 C ATOM 0 H THR B 41 -0.549 -15.214 1.923 1.00 0.00 H new ATOM 0 HA THR B 41 1.739 -16.262 0.507 1.00 0.00 H new ATOM 0 HB THR B 41 3.019 -14.707 1.368 1.00 0.00 H new ATOM 0 HG1 THR B 41 4.047 -15.549 3.335 1.00 0.00 H new ATOM 0 HG21 THR B 41 2.883 -13.644 3.610 1.00 0.00 H new ATOM 0 HG22 THR B 41 1.430 -13.380 2.617 1.00 0.00 H new ATOM 0 HG23 THR B 41 1.404 -14.581 3.929 1.00 0.00 H new ATOM 2372 N PRO B 42 1.786 -18.253 2.171 1.00 0.00 N ATOM 2373 CA PRO B 42 1.459 -19.528 2.791 1.00 0.00 C ATOM 2374 C PRO B 42 1.748 -19.564 4.274 1.00 0.00 C ATOM 2375 O PRO B 42 2.888 -19.422 4.717 1.00 0.00 O ATOM 2376 CB PRO B 42 2.358 -20.484 2.018 1.00 0.00 C ATOM 2377 CG PRO B 42 3.594 -19.692 1.829 1.00 0.00 C ATOM 2378 CD PRO B 42 3.105 -18.309 1.498 1.00 0.00 C ATOM 0 HA PRO B 42 0.396 -19.765 2.741 1.00 0.00 H new ATOM 0 HB2 PRO B 42 2.547 -21.401 2.575 1.00 0.00 H new ATOM 0 HB3 PRO B 42 1.915 -20.775 1.066 1.00 0.00 H new ATOM 0 HG2 PRO B 42 4.207 -19.692 2.730 1.00 0.00 H new ATOM 0 HG3 PRO B 42 4.208 -20.099 1.026 1.00 0.00 H new ATOM 0 HD2 PRO B 42 3.782 -17.541 1.872 1.00 0.00 H new ATOM 0 HD3 PRO B 42 3.016 -18.159 0.422 1.00 0.00 H new ATOM 2386 N ILE B 43 0.682 -19.778 5.026 1.00 0.00 N ATOM 2387 CA ILE B 43 0.741 -19.871 6.470 1.00 0.00 C ATOM 2388 C ILE B 43 1.940 -20.706 6.915 1.00 0.00 C ATOM 2389 O ILE B 43 2.519 -20.479 7.976 1.00 0.00 O ATOM 2390 CB ILE B 43 -0.562 -20.510 6.985 1.00 0.00 C ATOM 2391 CG1 ILE B 43 -1.632 -19.444 7.147 1.00 0.00 C ATOM 2392 CG2 ILE B 43 -0.328 -21.282 8.276 1.00 0.00 C ATOM 2393 CD1 ILE B 43 -2.912 -19.979 7.749 1.00 0.00 C ATOM 0 H ILE B 43 -0.257 -19.893 4.645 1.00 0.00 H new ATOM 0 HA ILE B 43 0.855 -18.869 6.884 1.00 0.00 H new ATOM 0 HB ILE B 43 -0.913 -21.233 6.249 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.247 -18.643 7.778 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.850 -19.005 6.173 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -1.267 -21.721 8.613 1.00 0.00 H new ATOM 0 HG22 ILE B 43 0.400 -22.074 8.099 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.051 -20.605 9.041 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -3.637 -19.170 7.839 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.318 -20.760 7.106 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -2.705 -20.393 8.736 1.00 0.00 H new ATOM 2405 N GLU B 44 2.285 -21.679 6.088 1.00 0.00 N ATOM 2406 CA GLU B 44 3.392 -22.579 6.360 1.00 0.00 C ATOM 2407 C GLU B 44 4.739 -21.860 6.305 1.00 0.00 C ATOM 2408 O GLU B 44 5.451 -21.788 7.306 1.00 0.00 O ATOM 2409 CB GLU B 44 3.349 -23.718 5.349 1.00 0.00 C ATOM 2410 CG GLU B 44 3.415 -25.098 5.981 1.00 0.00 C ATOM 2411 CD GLU B 44 4.741 -25.364 6.666 1.00 0.00 C ATOM 2412 OE1 GLU B 44 4.931 -24.879 7.801 1.00 0.00 O ATOM 2413 OE2 GLU B 44 5.590 -26.056 6.067 1.00 0.00 O ATOM 0 H GLU B 44 1.804 -21.867 5.208 1.00 0.00 H new ATOM 0 HA GLU B 44 3.288 -22.970 7.372 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.432 -23.639 4.765 1.00 0.00 H new ATOM 0 HB3 GLU B 44 4.181 -23.606 4.653 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.609 -25.200 6.707 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.249 -25.853 5.213 1.00 0.00 H new ATOM 2420 N LEU B 45 5.087 -21.334 5.135 1.00 0.00 N ATOM 2421 CA LEU B 45 6.356 -20.630 4.970 1.00 0.00 C ATOM 2422 C LEU B 45 6.409 -19.390 5.856 1.00 0.00 C ATOM 2423 O LEU B 45 7.483 -18.965 6.282 1.00 0.00 O ATOM 2424 CB LEU B 45 6.568 -20.235 3.507 1.00 0.00 C ATOM 2425 CG LEU B 45 6.210 -21.315 2.483 1.00 0.00 C ATOM 2426 CD1 LEU B 45 6.552 -20.850 1.076 1.00 0.00 C ATOM 2427 CD2 LEU B 45 6.933 -22.615 2.806 1.00 0.00 C ATOM 0 H LEU B 45 4.514 -21.380 4.292 1.00 0.00 H new ATOM 0 HA LEU B 45 7.155 -21.307 5.271 1.00 0.00 H new ATOM 0 HB2 LEU B 45 5.973 -19.346 3.297 1.00 0.00 H new ATOM 0 HB3 LEU B 45 7.613 -19.959 3.370 1.00 0.00 H new ATOM 0 HG LEU B 45 5.136 -21.496 2.534 1.00 0.00 H new ATOM 0 HD11 LEU B 45 6.291 -21.630 0.361 1.00 0.00 H new ATOM 0 HD12 LEU B 45 5.991 -19.944 0.846 1.00 0.00 H new ATOM 0 HD13 LEU B 45 7.620 -20.641 1.011 1.00 0.00 H new ATOM 0 HD21 LEU B 45 6.667 -23.372 2.068 1.00 0.00 H new ATOM 0 HD22 LEU B 45 8.010 -22.448 2.783 1.00 0.00 H new ATOM 0 HD23 LEU B 45 6.640 -22.957 3.799 1.00 0.00 H new ATOM 2439 N LEU B 46 5.244 -18.816 6.136 1.00 0.00 N ATOM 2440 CA LEU B 46 5.160 -17.628 6.977 1.00 0.00 C ATOM 2441 C LEU B 46 4.803 -18.007 8.410 1.00 0.00 C ATOM 2442 O LEU B 46 4.023 -17.321 9.070 1.00 0.00 O ATOM 2443 CB LEU B 46 4.120 -16.653 6.419 1.00 0.00 C ATOM 2444 CG LEU B 46 4.187 -15.237 6.992 1.00 0.00 C ATOM 2445 CD1 LEU B 46 5.151 -14.380 6.186 1.00 0.00 C ATOM 2446 CD2 LEU B 46 2.803 -14.607 7.015 1.00 0.00 C ATOM 0 H LEU B 46 4.345 -19.154 5.793 1.00 0.00 H new ATOM 0 HA LEU B 46 6.136 -17.142 6.979 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.241 -16.597 5.337 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.126 -17.058 6.608 1.00 0.00 H new ATOM 0 HG LEU B 46 4.555 -15.296 8.016 1.00 0.00 H new ATOM 0 HD11 LEU B 46 5.186 -13.376 6.608 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.147 -14.822 6.220 1.00 0.00 H new ATOM 0 HD13 LEU B 46 4.813 -14.327 5.151 1.00 0.00 H new ATOM 0 HD21 LEU B 46 2.869 -13.599 7.426 1.00 0.00 H new ATOM 0 HD22 LEU B 46 2.408 -14.560 6.000 1.00 0.00 H new ATOM 0 HD23 LEU B 46 2.139 -15.209 7.636 1.00 0.00 H new ATOM 2458 N ASP B 47 5.377 -19.109 8.884 1.00 0.00 N ATOM 2459 CA ASP B 47 5.119 -19.587 10.239 1.00 0.00 C ATOM 2460 C ASP B 47 3.692 -20.039 10.391 1.00 0.00 C ATOM 2461 O ASP B 47 2.747 -19.253 10.319 1.00 0.00 O ATOM 2462 CB ASP B 47 5.445 -18.516 11.277 1.00 0.00 C ATOM 2463 CG ASP B 47 6.655 -17.681 10.900 1.00 0.00 C ATOM 2464 OD1 ASP B 47 7.488 -18.168 10.107 1.00 0.00 O ATOM 2465 OD2 ASP B 47 6.768 -16.541 11.397 1.00 0.00 O ATOM 0 H ASP B 47 6.024 -19.688 8.349 1.00 0.00 H new ATOM 0 HA ASP B 47 5.774 -20.441 10.412 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.582 -17.862 11.401 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.624 -18.993 12.241 1.00 0.00 H new ATOM 2470 N LYS B 48 3.566 -21.329 10.602 1.00 0.00 N ATOM 2471 CA LYS B 48 2.288 -21.967 10.775 1.00 0.00 C ATOM 2472 C LYS B 48 1.739 -21.694 12.173 1.00 0.00 C ATOM 2473 O LYS B 48 1.503 -22.617 12.954 1.00 0.00 O ATOM 2474 CB LYS B 48 2.478 -23.458 10.543 1.00 0.00 C ATOM 2475 CG LYS B 48 1.916 -23.947 9.217 1.00 0.00 C ATOM 2476 CD LYS B 48 0.519 -24.525 9.371 1.00 0.00 C ATOM 2477 CE LYS B 48 0.498 -25.689 10.349 1.00 0.00 C ATOM 2478 NZ LYS B 48 -0.570 -26.672 10.018 1.00 0.00 N ATOM 0 H LYS B 48 4.358 -21.969 10.658 1.00 0.00 H new ATOM 0 HA LYS B 48 1.564 -21.570 10.063 1.00 0.00 H new ATOM 0 HB2 LYS B 48 3.542 -23.690 10.584 1.00 0.00 H new ATOM 0 HB3 LYS B 48 2.000 -24.007 11.355 1.00 0.00 H new ATOM 0 HG2 LYS B 48 1.890 -23.120 8.507 1.00 0.00 H new ATOM 0 HG3 LYS B 48 2.578 -24.705 8.800 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -0.161 -23.747 9.717 1.00 0.00 H new ATOM 0 HD3 LYS B 48 0.154 -24.859 8.400 1.00 0.00 H new ATOM 0 HE2 LYS B 48 1.467 -26.188 10.340 1.00 0.00 H new ATOM 0 HE3 LYS B 48 0.343 -25.311 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.551 -27.450 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -1.497 -26.202 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -0.409 -27.052 9.063 1.00 0.00 H new ATOM 2492 N LYS B 49 1.553 -20.416 12.485 1.00 0.00 N ATOM 2493 CA LYS B 49 1.050 -20.012 13.791 1.00 0.00 C ATOM 2494 C LYS B 49 0.885 -18.497 13.864 1.00 0.00 C ATOM 2495 O LYS B 49 1.144 -17.884 14.900 1.00 0.00 O ATOM 2496 CB LYS B 49 2.004 -20.486 14.892 1.00 0.00 C ATOM 2497 CG LYS B 49 3.476 -20.424 14.500 1.00 0.00 C ATOM 2498 CD LYS B 49 4.285 -19.598 15.488 1.00 0.00 C ATOM 2499 CE LYS B 49 4.545 -18.196 14.961 1.00 0.00 C ATOM 2500 NZ LYS B 49 5.916 -18.061 14.395 1.00 0.00 N ATOM 0 H LYS B 49 1.744 -19.641 11.849 1.00 0.00 H new ATOM 0 HA LYS B 49 0.074 -20.473 13.939 1.00 0.00 H new ATOM 0 HB2 LYS B 49 1.849 -19.876 15.782 1.00 0.00 H new ATOM 0 HB3 LYS B 49 1.752 -21.512 15.161 1.00 0.00 H new ATOM 0 HG2 LYS B 49 3.883 -21.434 14.451 1.00 0.00 H new ATOM 0 HG3 LYS B 49 3.570 -19.994 13.503 1.00 0.00 H new ATOM 0 HD2 LYS B 49 3.751 -19.538 16.436 1.00 0.00 H new ATOM 0 HD3 LYS B 49 5.235 -20.095 15.687 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.810 -17.955 14.193 1.00 0.00 H new ATOM 0 HE3 LYS B 49 4.412 -17.475 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 5.903 -17.376 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 6.566 -17.729 15.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 6.238 -18.984 14.041 1.00 0.00 H new ATOM 2514 N ALA B 50 0.457 -17.898 12.758 1.00 0.00 N ATOM 2515 CA ALA B 50 0.263 -16.455 12.696 1.00 0.00 C ATOM 2516 C ALA B 50 -0.912 -16.017 13.569 1.00 0.00 C ATOM 2517 O ALA B 50 -1.928 -16.707 13.646 1.00 0.00 O ATOM 2518 CB ALA B 50 0.045 -16.014 11.257 1.00 0.00 C ATOM 0 H ALA B 50 0.238 -18.390 11.892 1.00 0.00 H new ATOM 0 HA ALA B 50 1.164 -15.977 13.080 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -0.099 -14.934 11.225 1.00 0.00 H new ATOM 0 HB2 ALA B 50 0.916 -16.282 10.658 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -0.839 -16.509 10.854 1.00 0.00 H new ATOM 2524 N PRO B 51 -0.788 -14.859 14.241 1.00 0.00 N ATOM 2525 CA PRO B 51 -1.844 -14.333 15.109 1.00 0.00 C ATOM 2526 C PRO B 51 -2.984 -13.701 14.318 1.00 0.00 C ATOM 2527 O PRO B 51 -2.892 -13.537 13.101 1.00 0.00 O ATOM 2528 CB PRO B 51 -1.117 -13.275 15.936 1.00 0.00 C ATOM 2529 CG PRO B 51 -0.028 -12.788 15.044 1.00 0.00 C ATOM 2530 CD PRO B 51 0.391 -13.970 14.208 1.00 0.00 C ATOM 0 HA PRO B 51 -2.314 -15.115 15.705 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -1.788 -12.465 16.222 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -0.716 -13.698 16.857 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -0.377 -11.970 14.414 1.00 0.00 H new ATOM 0 HG3 PRO B 51 0.811 -12.406 15.626 1.00 0.00 H new ATOM 0 HD2 PRO B 51 0.639 -13.672 13.189 1.00 0.00 H new ATOM 0 HD3 PRO B 51 1.273 -14.460 14.621 1.00 0.00 H new ATOM 2538 N SER B 52 -4.058 -13.346 15.016 1.00 0.00 N ATOM 2539 CA SER B 52 -5.216 -12.731 14.378 1.00 0.00 C ATOM 2540 C SER B 52 -5.096 -11.210 14.384 1.00 0.00 C ATOM 2541 O SER B 52 -5.723 -10.531 15.197 1.00 0.00 O ATOM 2542 CB SER B 52 -6.502 -13.156 15.088 1.00 0.00 C ATOM 2543 OG SER B 52 -6.961 -14.407 14.606 1.00 0.00 O ATOM 0 H SER B 52 -4.150 -13.474 16.024 1.00 0.00 H new ATOM 0 HA SER B 52 -5.252 -13.071 13.343 1.00 0.00 H new ATOM 0 HB2 SER B 52 -6.325 -13.219 16.162 1.00 0.00 H new ATOM 0 HB3 SER B 52 -7.272 -12.400 14.936 1.00 0.00 H new ATOM 0 HG SER B 52 -7.783 -14.657 15.077 1.00 0.00 H new ATOM 2549 N HIS B 53 -4.286 -10.681 13.471 1.00 0.00 N ATOM 2550 CA HIS B 53 -4.084 -9.241 13.371 1.00 0.00 C ATOM 2551 C HIS B 53 -4.115 -8.787 11.915 1.00 0.00 C ATOM 2552 O HIS B 53 -3.129 -8.926 11.191 1.00 0.00 O ATOM 2553 CB HIS B 53 -2.753 -8.845 14.013 1.00 0.00 C ATOM 2554 CG HIS B 53 -2.868 -8.501 15.465 1.00 0.00 C ATOM 2555 ND1 HIS B 53 -3.366 -9.375 16.409 1.00 0.00 N ATOM 2556 CD2 HIS B 53 -2.546 -7.370 16.136 1.00 0.00 C ATOM 2557 CE1 HIS B 53 -3.345 -8.796 17.597 1.00 0.00 C ATOM 2558 NE2 HIS B 53 -2.852 -7.579 17.458 1.00 0.00 N ATOM 0 H HIS B 53 -3.760 -11.229 12.791 1.00 0.00 H new ATOM 0 HA HIS B 53 -4.897 -8.748 13.904 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -2.045 -9.666 13.897 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -2.341 -7.990 13.477 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -2.126 -6.470 15.710 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -3.675 -9.242 18.524 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -2.720 -6.904 18.211 1.00 0.00 H new ATOM 2567 N LEU B 54 -5.253 -8.245 11.494 1.00 0.00 N ATOM 2568 CA LEU B 54 -5.416 -7.771 10.124 1.00 0.00 C ATOM 2569 C LEU B 54 -5.246 -8.913 9.126 1.00 0.00 C ATOM 2570 O LEU B 54 -6.228 -9.504 8.680 1.00 0.00 O ATOM 2571 CB LEU B 54 -4.416 -6.652 9.824 1.00 0.00 C ATOM 2572 CG LEU B 54 -4.797 -5.280 10.379 1.00 0.00 C ATOM 2573 CD1 LEU B 54 -5.060 -5.363 11.875 1.00 0.00 C ATOM 2574 CD2 LEU B 54 -3.705 -4.263 10.083 1.00 0.00 C ATOM 0 H LEU B 54 -6.077 -8.123 12.083 1.00 0.00 H new ATOM 0 HA LEU B 54 -6.427 -7.377 10.021 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.445 -6.935 10.230 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -4.298 -6.570 8.743 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.713 -4.953 9.888 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -5.330 -4.377 12.252 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -5.877 -6.059 12.063 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -4.162 -5.713 12.384 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -3.993 -3.292 10.485 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -2.772 -4.585 10.546 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -3.566 -4.182 9.005 1.00 0.00 H new ATOM 2586 N CYS B 55 -3.995 -9.221 8.782 1.00 0.00 N ATOM 2587 CA CYS B 55 -3.695 -10.294 7.834 1.00 0.00 C ATOM 2588 C CYS B 55 -4.504 -11.554 8.145 1.00 0.00 C ATOM 2589 O CYS B 55 -4.140 -12.331 9.028 1.00 0.00 O ATOM 2590 CB CYS B 55 -2.200 -10.620 7.862 1.00 0.00 C ATOM 2591 SG CYS B 55 -1.127 -9.183 7.634 1.00 0.00 S ATOM 0 H CYS B 55 -3.172 -8.741 9.147 1.00 0.00 H new ATOM 0 HA CYS B 55 -3.973 -9.947 6.839 1.00 0.00 H new ATOM 0 HB2 CYS B 55 -1.960 -11.092 8.815 1.00 0.00 H new ATOM 0 HB3 CYS B 55 -1.983 -11.349 7.081 1.00 0.00 H new ATOM 0 HG CYS B 55 0.117 -9.559 7.675 1.00 0.00 H new ATOM 2597 N PRO B 56 -5.618 -11.771 7.423 1.00 0.00 N ATOM 2598 CA PRO B 56 -6.479 -12.923 7.617 1.00 0.00 C ATOM 2599 C PRO B 56 -6.163 -14.052 6.642 1.00 0.00 C ATOM 2600 O PRO B 56 -5.952 -13.815 5.452 1.00 0.00 O ATOM 2601 CB PRO B 56 -7.859 -12.337 7.330 1.00 0.00 C ATOM 2602 CG PRO B 56 -7.622 -11.235 6.337 1.00 0.00 C ATOM 2603 CD PRO B 56 -6.143 -10.910 6.356 1.00 0.00 C ATOM 0 HA PRO B 56 -6.373 -13.372 8.604 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -8.531 -13.093 6.925 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -8.321 -11.954 8.240 1.00 0.00 H new ATOM 0 HG2 PRO B 56 -7.933 -11.545 5.339 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -8.211 -10.355 6.595 1.00 0.00 H new ATOM 0 HD2 PRO B 56 -5.672 -11.126 5.397 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -5.966 -9.855 6.567 1.00 0.00 H new ATOM 2611 N THR B 57 -6.128 -15.278 7.150 1.00 0.00 N ATOM 2612 CA THR B 57 -5.834 -16.438 6.319 1.00 0.00 C ATOM 2613 C THR B 57 -6.975 -16.763 5.397 1.00 0.00 C ATOM 2614 O THR B 57 -8.107 -16.320 5.589 1.00 0.00 O ATOM 2615 CB THR B 57 -5.512 -17.672 7.168 1.00 0.00 C ATOM 2616 OG1 THR B 57 -4.126 -17.736 7.440 1.00 0.00 O ATOM 2617 CG2 THR B 57 -5.916 -18.997 6.527 1.00 0.00 C ATOM 0 H THR B 57 -6.299 -15.494 8.132 1.00 0.00 H new ATOM 0 HA THR B 57 -4.959 -16.175 5.724 1.00 0.00 H new ATOM 0 HB THR B 57 -6.100 -17.546 8.077 1.00 0.00 H new ATOM 0 HG1 THR B 57 -3.635 -17.879 6.604 1.00 0.00 H new ATOM 0 HG21 THR B 57 -5.653 -19.819 7.193 1.00 0.00 H new ATOM 0 HG22 THR B 57 -6.992 -19.003 6.351 1.00 0.00 H new ATOM 0 HG23 THR B 57 -5.392 -19.117 5.579 1.00 0.00 H new ATOM 2625 N ILE B 58 -6.664 -17.581 4.407 1.00 0.00 N ATOM 2626 CA ILE B 58 -7.662 -18.014 3.471 1.00 0.00 C ATOM 2627 C ILE B 58 -7.766 -19.532 3.420 1.00 0.00 C ATOM 2628 O ILE B 58 -6.847 -20.251 3.807 1.00 0.00 O ATOM 2629 CB ILE B 58 -7.414 -17.453 2.047 1.00 0.00 C ATOM 2630 CG1 ILE B 58 -8.310 -16.247 1.790 1.00 0.00 C ATOM 2631 CG2 ILE B 58 -7.617 -18.511 0.964 1.00 0.00 C ATOM 2632 CD1 ILE B 58 -7.537 -14.967 1.628 1.00 0.00 C ATOM 0 H ILE B 58 -5.729 -17.953 4.239 1.00 0.00 H new ATOM 0 HA ILE B 58 -8.609 -17.613 3.832 1.00 0.00 H new ATOM 0 HB ILE B 58 -6.371 -17.141 1.999 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -8.901 -16.425 0.891 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -9.012 -16.139 2.617 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -7.432 -18.070 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -6.924 -19.336 1.127 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -8.641 -18.883 1.006 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -8.229 -14.144 1.447 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -6.967 -14.769 2.536 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -6.854 -15.059 0.783 1.00 0.00 H new ATOM 2644 N HIS B 59 -8.890 -20.000 2.898 1.00 0.00 N ATOM 2645 CA HIS B 59 -9.138 -21.419 2.736 1.00 0.00 C ATOM 2646 C HIS B 59 -9.635 -21.681 1.331 1.00 0.00 C ATOM 2647 O HIS B 59 -10.838 -21.718 1.072 1.00 0.00 O ATOM 2648 CB HIS B 59 -10.149 -21.935 3.744 1.00 0.00 C ATOM 2649 CG HIS B 59 -11.246 -20.966 4.060 1.00 0.00 C ATOM 2650 ND1 HIS B 59 -12.190 -20.569 3.135 1.00 0.00 N ATOM 2651 CD2 HIS B 59 -11.549 -20.312 5.207 1.00 0.00 C ATOM 2652 CE1 HIS B 59 -13.024 -19.714 3.699 1.00 0.00 C ATOM 2653 NE2 HIS B 59 -12.657 -19.542 4.956 1.00 0.00 N ATOM 0 H HIS B 59 -9.653 -19.405 2.576 1.00 0.00 H new ATOM 0 HA HIS B 59 -8.201 -21.949 2.910 1.00 0.00 H new ATOM 0 HB2 HIS B 59 -10.591 -22.855 3.361 1.00 0.00 H new ATOM 0 HB3 HIS B 59 -9.628 -22.191 4.667 1.00 0.00 H new ATOM 0 HD1 HIS B 59 -12.236 -20.886 2.167 1.00 0.00 H new ATOM 0 HD2 HIS B 59 -11.018 -20.383 6.144 1.00 0.00 H new ATOM 0 HE1 HIS B 59 -13.863 -19.237 3.215 1.00 0.00 H new ATOM 2662 N ILE B 60 -8.693 -21.846 0.432 1.00 0.00 N ATOM 2663 CA ILE B 60 -8.997 -22.092 -0.967 1.00 0.00 C ATOM 2664 C ILE B 60 -8.422 -23.433 -1.411 1.00 0.00 C ATOM 2665 O ILE B 60 -7.649 -24.055 -0.683 1.00 0.00 O ATOM 2666 CB ILE B 60 -8.457 -20.955 -1.866 1.00 0.00 C ATOM 2667 CG1 ILE B 60 -6.936 -20.858 -1.754 1.00 0.00 C ATOM 2668 CG2 ILE B 60 -9.103 -19.622 -1.490 1.00 0.00 C ATOM 2669 CD1 ILE B 60 -6.254 -20.539 -3.067 1.00 0.00 C ATOM 0 H ILE B 60 -7.696 -21.814 0.644 1.00 0.00 H new ATOM 0 HA ILE B 60 -10.082 -22.121 -1.072 1.00 0.00 H new ATOM 0 HB ILE B 60 -8.714 -21.185 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE B 60 -6.681 -20.089 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE B 60 -6.547 -21.801 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE B 60 -8.711 -18.834 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE B 60 -10.183 -19.692 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE B 60 -8.876 -19.388 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE B 60 -5.176 -20.485 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE B 60 -6.479 -21.320 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE B 60 -6.615 -19.581 -3.441 1.00 0.00 H new ATOM 2681 N ASP B 61 -8.817 -23.886 -2.594 1.00 0.00 N ATOM 2682 CA ASP B 61 -8.352 -25.169 -3.115 1.00 0.00 C ATOM 2683 C ASP B 61 -6.832 -25.283 -3.073 1.00 0.00 C ATOM 2684 O ASP B 61 -6.288 -26.386 -3.018 1.00 0.00 O ATOM 2685 CB ASP B 61 -8.853 -25.376 -4.545 1.00 0.00 C ATOM 2686 CG ASP B 61 -8.725 -26.816 -5.000 1.00 0.00 C ATOM 2687 OD1 ASP B 61 -7.633 -27.194 -5.475 1.00 0.00 O ATOM 2688 OD2 ASP B 61 -9.716 -27.567 -4.882 1.00 0.00 O ATOM 0 H ASP B 61 -9.457 -23.386 -3.211 1.00 0.00 H new ATOM 0 HA ASP B 61 -8.761 -25.948 -2.472 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.897 -25.069 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.290 -24.733 -5.221 1.00 0.00 H new ATOM 2693 N GLU B 62 -6.150 -24.148 -3.098 1.00 0.00 N ATOM 2694 CA GLU B 62 -4.694 -24.143 -3.060 1.00 0.00 C ATOM 2695 C GLU B 62 -4.176 -24.370 -1.638 1.00 0.00 C ATOM 2696 O GLU B 62 -2.987 -24.618 -1.438 1.00 0.00 O ATOM 2697 CB GLU B 62 -4.155 -22.823 -3.615 1.00 0.00 C ATOM 2698 CG GLU B 62 -2.876 -22.980 -4.421 1.00 0.00 C ATOM 2699 CD GLU B 62 -1.715 -23.480 -3.584 1.00 0.00 C ATOM 2700 OE1 GLU B 62 -1.551 -24.713 -3.473 1.00 0.00 O ATOM 2701 OE2 GLU B 62 -0.970 -22.639 -3.038 1.00 0.00 O ATOM 0 H GLU B 62 -6.577 -23.223 -3.144 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.338 -24.963 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -4.918 -22.365 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -3.971 -22.138 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.052 -23.674 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -2.611 -22.021 -4.866 1.00 0.00 H new ATOM 2708 N GLY B 63 -5.072 -24.295 -0.653 1.00 0.00 N ATOM 2709 CA GLY B 63 -4.668 -24.504 0.730 1.00 0.00 C ATOM 2710 C GLY B 63 -4.881 -23.278 1.604 1.00 0.00 C ATOM 2711 O GLY B 63 -5.762 -22.461 1.335 1.00 0.00 O ATOM 0 H GLY B 63 -6.063 -24.095 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -5.230 -25.341 1.144 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -3.615 -24.784 0.757 1.00 0.00 H new ATOM 2715 N ASP B 64 -4.074 -23.155 2.659 1.00 0.00 N ATOM 2716 CA ASP B 64 -4.179 -22.027 3.585 1.00 0.00 C ATOM 2717 C ASP B 64 -3.112 -20.974 3.299 1.00 0.00 C ATOM 2718 O ASP B 64 -1.977 -21.301 2.954 1.00 0.00 O ATOM 2719 CB ASP B 64 -4.059 -22.512 5.031 1.00 0.00 C ATOM 2720 CG ASP B 64 -5.300 -23.248 5.498 1.00 0.00 C ATOM 2721 OD1 ASP B 64 -5.494 -24.409 5.080 1.00 0.00 O ATOM 2722 OD2 ASP B 64 -6.077 -22.663 6.281 1.00 0.00 O ATOM 0 H ASP B 64 -3.340 -23.823 2.893 1.00 0.00 H new ATOM 0 HA ASP B 64 -5.157 -21.569 3.441 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -3.194 -23.170 5.120 1.00 0.00 H new ATOM 0 HB3 ASP B 64 -3.879 -21.658 5.684 1.00 0.00 H new ATOM 2727 N PHE B 65 -3.499 -19.709 3.437 1.00 0.00 N ATOM 2728 CA PHE B 65 -2.604 -18.582 3.183 1.00 0.00 C ATOM 2729 C PHE B 65 -2.973 -17.404 4.074 1.00 0.00 C ATOM 2730 O PHE B 65 -3.812 -17.550 4.957 1.00 0.00 O ATOM 2731 CB PHE B 65 -2.669 -18.196 1.712 1.00 0.00 C ATOM 2732 CG PHE B 65 -2.638 -19.395 0.810 1.00 0.00 C ATOM 2733 CD1 PHE B 65 -1.472 -20.124 0.656 1.00 0.00 C ATOM 2734 CD2 PHE B 65 -3.778 -19.811 0.144 1.00 0.00 C ATOM 2735 CE1 PHE B 65 -1.440 -21.244 -0.149 1.00 0.00 C ATOM 2736 CE2 PHE B 65 -3.751 -20.932 -0.662 1.00 0.00 C ATOM 2737 CZ PHE B 65 -2.580 -21.649 -0.808 1.00 0.00 C ATOM 0 H PHE B 65 -4.438 -19.436 3.727 1.00 0.00 H new ATOM 0 HA PHE B 65 -1.581 -18.874 3.419 1.00 0.00 H new ATOM 0 HB2 PHE B 65 -3.581 -17.628 1.527 1.00 0.00 H new ATOM 0 HB3 PHE B 65 -1.831 -17.541 1.472 1.00 0.00 H new ATOM 0 HD1 PHE B 65 -0.576 -19.812 1.172 1.00 0.00 H new ATOM 0 HD2 PHE B 65 -4.697 -19.254 0.256 1.00 0.00 H new ATOM 0 HE1 PHE B 65 -0.523 -21.802 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE B 65 -4.646 -21.248 -1.178 1.00 0.00 H new ATOM 0 HZ PHE B 65 -2.558 -22.526 -1.438 1.00 0.00 H new ATOM 2747 N ILE B 66 -2.345 -16.243 3.866 1.00 0.00 N ATOM 2748 CA ILE B 66 -2.645 -15.080 4.695 1.00 0.00 C ATOM 2749 C ILE B 66 -2.354 -13.779 3.965 1.00 0.00 C ATOM 2750 O ILE B 66 -1.196 -13.436 3.727 1.00 0.00 O ATOM 2751 CB ILE B 66 -1.856 -15.089 6.030 1.00 0.00 C ATOM 2752 CG1 ILE B 66 -0.735 -16.124 5.983 1.00 0.00 C ATOM 2753 CG2 ILE B 66 -2.783 -15.352 7.208 1.00 0.00 C ATOM 2754 CD1 ILE B 66 0.294 -15.805 4.933 1.00 0.00 C ATOM 0 H ILE B 66 -1.640 -16.088 3.145 1.00 0.00 H new ATOM 0 HA ILE B 66 -3.711 -15.143 4.916 1.00 0.00 H new ATOM 0 HB ILE B 66 -1.409 -14.104 6.167 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -0.251 -16.177 6.958 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -1.160 -17.108 5.785 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -2.205 -15.353 8.132 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -3.542 -14.571 7.255 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -3.267 -16.320 7.081 1.00 0.00 H new ATOM 0 HD11 ILE B 66 1.070 -16.571 4.940 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -0.182 -15.779 3.953 1.00 0.00 H new ATOM 0 HD13 ILE B 66 0.741 -14.834 5.145 1.00 0.00 H new ATOM 2766 N MET B 67 -3.409 -13.040 3.629 1.00 0.00 N ATOM 2767 CA MET B 67 -3.239 -11.766 2.950 1.00 0.00 C ATOM 2768 C MET B 67 -2.395 -10.845 3.818 1.00 0.00 C ATOM 2769 O MET B 67 -2.837 -10.404 4.878 1.00 0.00 O ATOM 2770 CB MET B 67 -4.596 -11.111 2.669 1.00 0.00 C ATOM 2771 CG MET B 67 -5.578 -12.010 1.936 1.00 0.00 C ATOM 2772 SD MET B 67 -7.074 -11.139 1.433 1.00 0.00 S ATOM 2773 CE MET B 67 -7.762 -10.694 3.025 1.00 0.00 C ATOM 0 H MET B 67 -4.378 -13.300 3.815 1.00 0.00 H new ATOM 0 HA MET B 67 -2.740 -11.940 1.997 1.00 0.00 H new ATOM 0 HB2 MET B 67 -5.040 -10.800 3.615 1.00 0.00 H new ATOM 0 HB3 MET B 67 -4.437 -10.208 2.080 1.00 0.00 H new ATOM 0 HG2 MET B 67 -5.093 -12.429 1.055 1.00 0.00 H new ATOM 0 HG3 MET B 67 -5.849 -12.847 2.580 1.00 0.00 H new ATOM 0 HE1 MET B 67 -8.635 -10.058 2.879 1.00 0.00 H new ATOM 0 HE2 MET B 67 -8.057 -11.597 3.559 1.00 0.00 H new ATOM 0 HE3 MET B 67 -7.014 -10.156 3.607 1.00 0.00 H new ATOM 2783 N LEU B 68 -1.179 -10.565 3.374 1.00 0.00 N ATOM 2784 CA LEU B 68 -0.289 -9.702 4.137 1.00 0.00 C ATOM 2785 C LEU B 68 -0.684 -8.238 3.958 1.00 0.00 C ATOM 2786 O LEU B 68 -0.044 -7.496 3.213 1.00 0.00 O ATOM 2787 CB LEU B 68 1.175 -9.926 3.721 1.00 0.00 C ATOM 2788 CG LEU B 68 2.162 -10.088 4.882 1.00 0.00 C ATOM 2789 CD1 LEU B 68 2.833 -11.454 4.824 1.00 0.00 C ATOM 2790 CD2 LEU B 68 3.204 -8.980 4.857 1.00 0.00 C ATOM 0 H LEU B 68 -0.789 -10.918 2.500 1.00 0.00 H new ATOM 0 HA LEU B 68 -0.383 -9.957 5.193 1.00 0.00 H new ATOM 0 HB2 LEU B 68 1.226 -10.816 3.094 1.00 0.00 H new ATOM 0 HB3 LEU B 68 1.495 -9.084 3.107 1.00 0.00 H new ATOM 0 HG LEU B 68 1.607 -10.016 5.818 1.00 0.00 H new ATOM 0 HD11 LEU B 68 3.531 -11.552 5.656 1.00 0.00 H new ATOM 0 HD12 LEU B 68 2.075 -12.235 4.892 1.00 0.00 H new ATOM 0 HD13 LEU B 68 3.374 -11.554 3.883 1.00 0.00 H new ATOM 0 HD21 LEU B 68 3.896 -9.112 5.689 1.00 0.00 H new ATOM 0 HD22 LEU B 68 3.755 -9.020 3.917 1.00 0.00 H new ATOM 0 HD23 LEU B 68 2.709 -8.013 4.947 1.00 0.00 H new ATOM 2802 N THR B 69 -1.745 -7.829 4.655 1.00 0.00 N ATOM 2803 CA THR B 69 -2.226 -6.452 4.582 1.00 0.00 C ATOM 2804 C THR B 69 -1.405 -5.544 5.499 1.00 0.00 C ATOM 2805 O THR B 69 -1.617 -4.332 5.538 1.00 0.00 O ATOM 2806 CB THR B 69 -3.718 -6.373 4.948 1.00 0.00 C ATOM 2807 OG1 THR B 69 -4.246 -7.664 5.196 1.00 0.00 O ATOM 2808 CG2 THR B 69 -4.569 -5.726 3.866 1.00 0.00 C ATOM 0 H THR B 69 -2.286 -8.432 5.275 1.00 0.00 H new ATOM 0 HA THR B 69 -2.106 -6.107 3.555 1.00 0.00 H new ATOM 0 HB THR B 69 -3.762 -5.752 5.843 1.00 0.00 H new ATOM 0 HG1 THR B 69 -5.195 -7.590 5.428 1.00 0.00 H new ATOM 0 HG21 THR B 69 -5.610 -5.702 4.188 1.00 0.00 H new ATOM 0 HG22 THR B 69 -4.220 -4.709 3.689 1.00 0.00 H new ATOM 0 HG23 THR B 69 -4.487 -6.303 2.945 1.00 0.00 H new ATOM 2816 N GLN B 70 -0.458 -6.137 6.228 1.00 0.00 N ATOM 2817 CA GLN B 70 0.403 -5.381 7.130 1.00 0.00 C ATOM 2818 C GLN B 70 1.643 -4.868 6.397 1.00 0.00 C ATOM 2819 O GLN B 70 2.566 -4.335 7.013 1.00 0.00 O ATOM 2820 CB GLN B 70 0.821 -6.250 8.318 1.00 0.00 C ATOM 2821 CG GLN B 70 1.239 -5.449 9.541 1.00 0.00 C ATOM 2822 CD GLN B 70 0.054 -4.946 10.341 1.00 0.00 C ATOM 2823 OE1 GLN B 70 -0.443 -3.843 10.110 1.00 0.00 O ATOM 2824 NE2 GLN B 70 -0.406 -5.754 11.289 1.00 0.00 N ATOM 0 H GLN B 70 -0.270 -7.139 6.209 1.00 0.00 H new ATOM 0 HA GLN B 70 -0.161 -4.523 7.497 1.00 0.00 H new ATOM 0 HB2 GLN B 70 -0.008 -6.904 8.588 1.00 0.00 H new ATOM 0 HB3 GLN B 70 1.648 -6.892 8.015 1.00 0.00 H new ATOM 0 HG2 GLN B 70 1.867 -6.070 10.180 1.00 0.00 H new ATOM 0 HG3 GLN B 70 1.846 -4.601 9.225 1.00 0.00 H new ATOM 0 HE21 GLN B 70 0.036 -6.660 11.446 1.00 0.00 H new ATOM 0 HE22 GLN B 70 -1.202 -5.469 11.860 1.00 0.00 H new ATOM 2833 N GLN B 71 1.649 -5.023 5.075 1.00 0.00 N ATOM 2834 CA GLN B 71 2.755 -4.570 4.243 1.00 0.00 C ATOM 2835 C GLN B 71 2.221 -4.205 2.868 1.00 0.00 C ATOM 2836 O GLN B 71 2.915 -4.323 1.858 1.00 0.00 O ATOM 2837 CB GLN B 71 3.825 -5.658 4.125 1.00 0.00 C ATOM 2838 CG GLN B 71 5.246 -5.127 4.225 1.00 0.00 C ATOM 2839 CD GLN B 71 5.822 -5.264 5.620 1.00 0.00 C ATOM 2840 OE1 GLN B 71 7.141 -5.390 5.706 1.00 0.00 O flip ATOM 2841 NE2 GLN B 71 5.091 -5.258 6.610 1.00 0.00 N flip ATOM 0 H GLN B 71 0.890 -5.464 4.555 1.00 0.00 H new ATOM 0 HA GLN B 71 3.216 -3.695 4.702 1.00 0.00 H new ATOM 0 HB2 GLN B 71 3.667 -6.398 4.909 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.705 -6.173 3.172 1.00 0.00 H new ATOM 0 HG2 GLN B 71 5.881 -5.663 3.519 1.00 0.00 H new ATOM 0 HG3 GLN B 71 5.259 -4.077 3.932 1.00 0.00 H new ATOM 0 HE21 GLN B 71 4.082 -5.159 6.498 1.00 0.00 H new ATOM 0 HE22 GLN B 71 5.494 -5.352 7.542 1.00 0.00 H new ATOM 2850 N MET B 72 0.963 -3.772 2.857 1.00 0.00 N ATOM 2851 CA MET B 72 0.263 -3.385 1.642 1.00 0.00 C ATOM 2852 C MET B 72 1.189 -2.702 0.639 1.00 0.00 C ATOM 2853 O MET B 72 2.167 -2.056 1.015 1.00 0.00 O ATOM 2854 CB MET B 72 -0.898 -2.472 2.013 1.00 0.00 C ATOM 2855 CG MET B 72 -2.027 -2.471 0.997 1.00 0.00 C ATOM 2856 SD MET B 72 -2.767 -0.841 0.784 1.00 0.00 S ATOM 2857 CE MET B 72 -1.323 0.133 0.366 1.00 0.00 C ATOM 0 H MET B 72 0.398 -3.680 3.701 1.00 0.00 H new ATOM 0 HA MET B 72 -0.112 -4.285 1.156 1.00 0.00 H new ATOM 0 HB2 MET B 72 -1.294 -2.778 2.981 1.00 0.00 H new ATOM 0 HB3 MET B 72 -0.525 -1.454 2.129 1.00 0.00 H new ATOM 0 HG2 MET B 72 -1.647 -2.822 0.037 1.00 0.00 H new ATOM 0 HG3 MET B 72 -2.796 -3.176 1.313 1.00 0.00 H new ATOM 0 HE1 MET B 72 -1.574 0.833 -0.431 1.00 0.00 H new ATOM 0 HE2 MET B 72 -0.991 0.687 1.244 1.00 0.00 H new ATOM 0 HE3 MET B 72 -0.523 -0.527 0.030 1.00 0.00 H new ATOM 2867 N THR B 73 0.878 -2.874 -0.639 1.00 0.00 N ATOM 2868 CA THR B 73 1.682 -2.303 -1.711 1.00 0.00 C ATOM 2869 C THR B 73 0.933 -2.399 -3.039 1.00 0.00 C ATOM 2870 O THR B 73 -0.163 -2.942 -3.091 1.00 0.00 O ATOM 2871 CB THR B 73 3.025 -3.045 -1.797 1.00 0.00 C ATOM 2872 OG1 THR B 73 3.599 -2.910 -3.085 1.00 0.00 O ATOM 2873 CG2 THR B 73 2.916 -4.531 -1.494 1.00 0.00 C ATOM 0 H THR B 73 0.070 -3.408 -0.960 1.00 0.00 H new ATOM 0 HA THR B 73 1.871 -1.251 -1.499 1.00 0.00 H new ATOM 0 HB THR B 73 3.653 -2.581 -1.037 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.453 -3.389 -3.114 1.00 0.00 H new ATOM 0 HG21 THR B 73 3.901 -4.992 -1.573 1.00 0.00 H new ATOM 0 HG22 THR B 73 2.531 -4.669 -0.484 1.00 0.00 H new ATOM 0 HG23 THR B 73 2.238 -4.999 -2.208 1.00 0.00 H new ATOM 2881 N SER B 74 1.527 -1.882 -4.111 1.00 0.00 N ATOM 2882 CA SER B 74 0.901 -1.942 -5.431 1.00 0.00 C ATOM 2883 C SER B 74 1.885 -2.490 -6.453 1.00 0.00 C ATOM 2884 O SER B 74 2.896 -1.859 -6.761 1.00 0.00 O ATOM 2885 CB SER B 74 0.402 -0.561 -5.871 1.00 0.00 C ATOM 2886 OG SER B 74 0.454 0.365 -4.802 1.00 0.00 O ATOM 0 H SER B 74 2.436 -1.419 -4.094 1.00 0.00 H new ATOM 0 HA SER B 74 0.041 -2.609 -5.367 1.00 0.00 H new ATOM 0 HB2 SER B 74 1.010 -0.199 -6.700 1.00 0.00 H new ATOM 0 HB3 SER B 74 -0.621 -0.641 -6.237 1.00 0.00 H new ATOM 0 HG SER B 74 -0.456 0.641 -4.564 1.00 0.00 H new ATOM 2892 N VAL B 75 1.575 -3.666 -6.982 1.00 0.00 N ATOM 2893 CA VAL B 75 2.425 -4.296 -7.978 1.00 0.00 C ATOM 2894 C VAL B 75 1.945 -3.924 -9.376 1.00 0.00 C ATOM 2895 O VAL B 75 0.793 -4.177 -9.729 1.00 0.00 O ATOM 2896 CB VAL B 75 2.452 -5.834 -7.827 1.00 0.00 C ATOM 2897 CG1 VAL B 75 2.800 -6.237 -6.403 1.00 0.00 C ATOM 2898 CG2 VAL B 75 1.137 -6.453 -8.276 1.00 0.00 C ATOM 0 H VAL B 75 0.742 -4.201 -6.737 1.00 0.00 H new ATOM 0 HA VAL B 75 3.440 -3.931 -7.824 1.00 0.00 H new ATOM 0 HB VAL B 75 3.235 -6.221 -8.479 1.00 0.00 H new ATOM 0 HG11 VAL B 75 2.812 -7.324 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL B 75 3.783 -5.844 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL B 75 2.055 -5.832 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL B 75 1.186 -7.536 -8.158 1.00 0.00 H new ATOM 0 HG22 VAL B 75 0.323 -6.058 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL B 75 0.959 -6.209 -9.323 1.00 0.00 H new ATOM 2908 N PRO B 76 2.813 -3.301 -10.189 1.00 0.00 N ATOM 2909 CA PRO B 76 2.455 -2.886 -11.542 1.00 0.00 C ATOM 2910 C PRO B 76 1.626 -3.931 -12.281 1.00 0.00 C ATOM 2911 O PRO B 76 1.963 -5.115 -12.288 1.00 0.00 O ATOM 2912 CB PRO B 76 3.812 -2.693 -12.208 1.00 0.00 C ATOM 2913 CG PRO B 76 4.709 -2.259 -11.100 1.00 0.00 C ATOM 2914 CD PRO B 76 4.205 -2.942 -9.854 1.00 0.00 C ATOM 0 HA PRO B 76 1.828 -1.994 -11.547 1.00 0.00 H new ATOM 0 HB2 PRO B 76 4.165 -3.617 -12.666 1.00 0.00 H new ATOM 0 HB3 PRO B 76 3.764 -1.943 -12.998 1.00 0.00 H new ATOM 0 HG2 PRO B 76 5.743 -2.538 -11.305 1.00 0.00 H new ATOM 0 HG3 PRO B 76 4.688 -1.175 -10.985 1.00 0.00 H new ATOM 0 HD2 PRO B 76 4.799 -3.824 -9.613 1.00 0.00 H new ATOM 0 HD3 PRO B 76 4.251 -2.281 -8.989 1.00 0.00 H new ATOM 2922 N VAL B 77 0.535 -3.472 -12.892 1.00 0.00 N ATOM 2923 CA VAL B 77 -0.381 -4.338 -13.643 1.00 0.00 C ATOM 2924 C VAL B 77 0.337 -5.532 -14.276 1.00 0.00 C ATOM 2925 O VAL B 77 -0.162 -6.657 -14.247 1.00 0.00 O ATOM 2926 CB VAL B 77 -1.102 -3.541 -14.756 1.00 0.00 C ATOM 2927 CG1 VAL B 77 -0.133 -2.595 -15.457 1.00 0.00 C ATOM 2928 CG2 VAL B 77 -1.758 -4.479 -15.762 1.00 0.00 C ATOM 0 H VAL B 77 0.259 -2.490 -12.882 1.00 0.00 H new ATOM 0 HA VAL B 77 -1.108 -4.715 -12.923 1.00 0.00 H new ATOM 0 HB VAL B 77 -1.886 -2.945 -14.288 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -0.661 -2.045 -16.236 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.279 -1.893 -14.732 1.00 0.00 H new ATOM 0 HG13 VAL B 77 0.677 -3.170 -15.905 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -2.258 -3.893 -16.533 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -0.997 -5.110 -16.221 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -2.489 -5.106 -15.252 1.00 0.00 H new ATOM 2938 N LYS B 78 1.501 -5.274 -14.856 1.00 0.00 N ATOM 2939 CA LYS B 78 2.284 -6.324 -15.510 1.00 0.00 C ATOM 2940 C LYS B 78 2.463 -7.526 -14.604 1.00 0.00 C ATOM 2941 O LYS B 78 2.099 -8.653 -14.941 1.00 0.00 O ATOM 2942 CB LYS B 78 3.680 -5.839 -15.893 1.00 0.00 C ATOM 2943 CG LYS B 78 4.091 -4.576 -15.182 1.00 0.00 C ATOM 2944 CD LYS B 78 3.544 -3.362 -15.906 1.00 0.00 C ATOM 2945 CE LYS B 78 4.590 -2.729 -16.809 1.00 0.00 C ATOM 2946 NZ LYS B 78 3.999 -2.244 -18.087 1.00 0.00 N ATOM 0 H LYS B 78 1.928 -4.348 -14.889 1.00 0.00 H new ATOM 0 HA LYS B 78 1.723 -6.597 -16.404 1.00 0.00 H new ATOM 0 HB2 LYS B 78 4.403 -6.624 -15.671 1.00 0.00 H new ATOM 0 HB3 LYS B 78 3.715 -5.669 -16.969 1.00 0.00 H new ATOM 0 HG2 LYS B 78 3.723 -4.592 -14.156 1.00 0.00 H new ATOM 0 HG3 LYS B 78 5.178 -4.517 -15.130 1.00 0.00 H new ATOM 0 HD2 LYS B 78 2.677 -3.652 -16.500 1.00 0.00 H new ATOM 0 HD3 LYS B 78 3.200 -2.628 -15.177 1.00 0.00 H new ATOM 0 HE2 LYS B 78 5.063 -1.896 -16.289 1.00 0.00 H new ATOM 0 HE3 LYS B 78 5.373 -3.457 -17.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 4.744 -1.819 -18.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 3.570 -3.043 -18.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 3.270 -1.531 -17.884 1.00 0.00 H new ATOM 2960 N ILE B 79 3.076 -7.257 -13.464 1.00 0.00 N ATOM 2961 CA ILE B 79 3.385 -8.274 -12.484 1.00 0.00 C ATOM 2962 C ILE B 79 2.225 -8.534 -11.508 1.00 0.00 C ATOM 2963 O ILE B 79 2.433 -9.009 -10.394 1.00 0.00 O ATOM 2964 CB ILE B 79 4.685 -7.917 -11.742 1.00 0.00 C ATOM 2965 CG1 ILE B 79 5.038 -9.008 -10.711 1.00 0.00 C ATOM 2966 CG2 ILE B 79 4.562 -6.531 -11.117 1.00 0.00 C ATOM 2967 CD1 ILE B 79 5.385 -8.468 -9.358 1.00 0.00 C ATOM 0 H ILE B 79 3.374 -6.319 -13.194 1.00 0.00 H new ATOM 0 HA ILE B 79 3.535 -9.211 -13.020 1.00 0.00 H new ATOM 0 HB ILE B 79 5.513 -7.880 -12.450 1.00 0.00 H new ATOM 0 HG12 ILE B 79 4.194 -9.691 -10.614 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.879 -9.592 -11.086 1.00 0.00 H new ATOM 0 HG21 ILE B 79 5.486 -6.285 -10.593 1.00 0.00 H new ATOM 0 HG22 ILE B 79 4.381 -5.794 -11.899 1.00 0.00 H new ATOM 0 HG23 ILE B 79 3.731 -6.523 -10.411 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.622 -9.293 -8.687 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.249 -7.808 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE B 79 4.538 -7.909 -8.961 1.00 0.00 H new ATOM 2979 N LEU B 80 0.993 -8.235 -11.931 1.00 0.00 N ATOM 2980 CA LEU B 80 -0.173 -8.471 -11.078 1.00 0.00 C ATOM 2981 C LEU B 80 -0.436 -9.950 -10.905 1.00 0.00 C ATOM 2982 O LEU B 80 -1.447 -10.479 -11.360 1.00 0.00 O ATOM 2983 CB LEU B 80 -1.422 -7.774 -11.609 1.00 0.00 C ATOM 2984 CG LEU B 80 -2.420 -7.362 -10.520 1.00 0.00 C ATOM 2985 CD1 LEU B 80 -2.709 -8.524 -9.581 1.00 0.00 C ATOM 2986 CD2 LEU B 80 -1.887 -6.181 -9.731 1.00 0.00 C ATOM 0 H LEU B 80 0.780 -7.835 -12.845 1.00 0.00 H new ATOM 0 HA LEU B 80 0.061 -8.041 -10.104 1.00 0.00 H new ATOM 0 HB2 LEU B 80 -1.121 -6.886 -12.165 1.00 0.00 H new ATOM 0 HB3 LEU B 80 -1.923 -8.437 -12.314 1.00 0.00 H new ATOM 0 HG LEU B 80 -3.350 -7.071 -11.009 1.00 0.00 H new ATOM 0 HD11 LEU B 80 -3.419 -8.207 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU B 80 -3.132 -9.353 -10.148 1.00 0.00 H new ATOM 0 HD13 LEU B 80 -1.783 -8.845 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU B 80 -2.608 -5.902 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU B 80 -0.942 -6.454 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU B 80 -1.727 -5.337 -10.402 1.00 0.00 H new ATOM 2998 N SER B 81 0.476 -10.579 -10.182 1.00 0.00 N ATOM 2999 CA SER B 81 0.397 -11.987 -9.828 1.00 0.00 C ATOM 3000 C SER B 81 -0.307 -12.876 -10.863 1.00 0.00 C ATOM 3001 O SER B 81 -1.458 -12.642 -11.225 1.00 0.00 O ATOM 3002 CB SER B 81 -0.316 -12.089 -8.492 1.00 0.00 C ATOM 3003 OG SER B 81 -0.808 -10.825 -8.080 1.00 0.00 O ATOM 0 H SER B 81 1.309 -10.116 -9.817 1.00 0.00 H new ATOM 0 HA SER B 81 1.419 -12.364 -9.784 1.00 0.00 H new ATOM 0 HB2 SER B 81 -1.141 -12.797 -8.570 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.369 -12.479 -7.739 1.00 0.00 H new ATOM 0 HG SER B 81 -0.126 -10.366 -7.547 1.00 0.00 H new ATOM 3009 N GLU B 82 0.384 -13.934 -11.289 1.00 0.00 N ATOM 3010 CA GLU B 82 -0.175 -14.896 -12.234 1.00 0.00 C ATOM 3011 C GLU B 82 -1.338 -15.642 -11.576 1.00 0.00 C ATOM 3012 O GLU B 82 -1.129 -16.445 -10.667 1.00 0.00 O ATOM 3013 CB GLU B 82 0.898 -15.903 -12.699 1.00 0.00 C ATOM 3014 CG GLU B 82 1.048 -15.958 -14.210 1.00 0.00 C ATOM 3015 CD GLU B 82 1.620 -14.678 -14.787 1.00 0.00 C ATOM 3016 OE1 GLU B 82 1.015 -13.607 -14.573 1.00 0.00 O ATOM 3017 OE2 GLU B 82 2.674 -14.747 -15.454 1.00 0.00 O ATOM 0 H GLU B 82 1.337 -14.145 -10.992 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.534 -14.354 -13.109 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.856 -15.635 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.641 -16.896 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.695 -16.793 -14.477 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.075 -16.152 -14.661 1.00 0.00 H new ATOM 3024 N PRO B 83 -2.585 -15.375 -12.008 1.00 0.00 N ATOM 3025 CA PRO B 83 -3.774 -16.015 -11.433 1.00 0.00 C ATOM 3026 C PRO B 83 -3.655 -17.531 -11.300 1.00 0.00 C ATOM 3027 O PRO B 83 -3.670 -18.258 -12.293 1.00 0.00 O ATOM 3028 CB PRO B 83 -4.877 -15.655 -12.427 1.00 0.00 C ATOM 3029 CG PRO B 83 -4.448 -14.348 -12.988 1.00 0.00 C ATOM 3030 CD PRO B 83 -2.944 -14.417 -13.075 1.00 0.00 C ATOM 0 HA PRO B 83 -3.951 -15.672 -10.414 1.00 0.00 H new ATOM 0 HB2 PRO B 83 -4.973 -16.411 -13.206 1.00 0.00 H new ATOM 0 HB3 PRO B 83 -5.847 -15.579 -11.936 1.00 0.00 H new ATOM 0 HG2 PRO B 83 -4.890 -14.179 -13.970 1.00 0.00 H new ATOM 0 HG3 PRO B 83 -4.766 -13.524 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO B 83 -2.613 -14.763 -14.054 1.00 0.00 H new ATOM 0 HD3 PRO B 83 -2.486 -13.442 -12.910 1.00 0.00 H new ATOM 3038 N VAL B 84 -3.576 -17.997 -10.057 1.00 0.00 N ATOM 3039 CA VAL B 84 -3.502 -19.425 -9.770 1.00 0.00 C ATOM 3040 C VAL B 84 -4.898 -19.942 -9.429 1.00 0.00 C ATOM 3041 O VAL B 84 -5.283 -21.049 -9.805 1.00 0.00 O ATOM 3042 CB VAL B 84 -2.572 -19.733 -8.585 1.00 0.00 C ATOM 3043 CG1 VAL B 84 -1.115 -19.568 -8.990 1.00 0.00 C ATOM 3044 CG2 VAL B 84 -2.925 -18.860 -7.388 1.00 0.00 C ATOM 0 H VAL B 84 -3.562 -17.402 -9.229 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.101 -19.915 -10.657 1.00 0.00 H new ATOM 0 HB VAL B 84 -2.715 -20.772 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -0.473 -19.790 -8.138 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -0.885 -20.253 -9.806 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -0.942 -18.543 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -2.257 -19.092 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -2.816 -17.810 -7.659 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -3.955 -19.053 -7.088 1.00 0.00 H new ATOM 3054 N ASN B 85 -5.644 -19.104 -8.707 1.00 0.00 N ATOM 3055 CA ASN B 85 -7.008 -19.415 -8.283 1.00 0.00 C ATOM 3056 C ASN B 85 -7.809 -18.119 -8.125 1.00 0.00 C ATOM 3057 O ASN B 85 -7.495 -17.116 -8.764 1.00 0.00 O ATOM 3058 CB ASN B 85 -6.984 -20.197 -6.967 1.00 0.00 C ATOM 3059 CG ASN B 85 -5.981 -21.334 -6.987 1.00 0.00 C ATOM 3060 OD1 ASN B 85 -4.886 -21.170 -6.255 1.00 0.00 O flip ATOM 3061 ND2 ASN B 85 -6.188 -22.348 -7.654 1.00 0.00 N flip ATOM 0 H ASN B 85 -5.317 -18.188 -8.400 1.00 0.00 H new ATOM 0 HA ASN B 85 -7.488 -20.033 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -6.743 -19.518 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -7.978 -20.597 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -7.044 -22.432 -8.202 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -5.504 -23.104 -7.658 1.00 0.00 H new ATOM 3068 N GLU B 86 -8.832 -18.134 -7.271 1.00 0.00 N ATOM 3069 CA GLU B 86 -9.653 -16.950 -7.040 1.00 0.00 C ATOM 3070 C GLU B 86 -10.377 -17.067 -5.707 1.00 0.00 C ATOM 3071 O GLU B 86 -10.986 -18.097 -5.418 1.00 0.00 O ATOM 3072 CB GLU B 86 -10.675 -16.772 -8.165 1.00 0.00 C ATOM 3073 CG GLU B 86 -10.060 -16.400 -9.504 1.00 0.00 C ATOM 3074 CD GLU B 86 -9.730 -17.613 -10.352 1.00 0.00 C ATOM 3075 OE1 GLU B 86 -10.528 -18.574 -10.349 1.00 0.00 O ATOM 3076 OE2 GLU B 86 -8.674 -17.602 -11.019 1.00 0.00 O ATOM 0 H GLU B 86 -9.110 -18.952 -6.729 1.00 0.00 H new ATOM 0 HA GLU B 86 -8.998 -16.079 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.239 -17.698 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.387 -15.999 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -10.750 -15.756 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -9.152 -15.822 -9.334 1.00 0.00 H new ATOM 3083 N LEU B 87 -10.318 -16.016 -4.894 1.00 0.00 N ATOM 3084 CA LEU B 87 -10.990 -16.048 -3.600 1.00 0.00 C ATOM 3085 C LEU B 87 -11.944 -14.872 -3.403 1.00 0.00 C ATOM 3086 O LEU B 87 -11.757 -14.024 -2.531 1.00 0.00 O ATOM 3087 CB LEU B 87 -10.009 -16.107 -2.448 1.00 0.00 C ATOM 3088 CG LEU B 87 -8.625 -15.533 -2.710 1.00 0.00 C ATOM 3089 CD1 LEU B 87 -8.749 -14.135 -3.303 1.00 0.00 C ATOM 3090 CD2 LEU B 87 -7.826 -15.529 -1.413 1.00 0.00 C ATOM 0 H LEU B 87 -9.823 -15.149 -5.102 1.00 0.00 H new ATOM 0 HA LEU B 87 -11.579 -16.965 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -10.444 -15.577 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -9.896 -17.149 -2.148 1.00 0.00 H new ATOM 0 HG LEU B 87 -8.093 -16.152 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -7.755 -13.729 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -9.301 -14.185 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -9.280 -13.489 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -6.834 -15.118 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -8.339 -14.917 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -7.732 -16.549 -1.040 1.00 0.00 H new ATOM 3102 N SER B 88 -12.974 -14.869 -4.213 1.00 0.00 N ATOM 3103 CA SER B 88 -14.026 -13.850 -4.173 1.00 0.00 C ATOM 3104 C SER B 88 -14.876 -14.009 -2.941 1.00 0.00 C ATOM 3105 O SER B 88 -15.267 -13.025 -2.331 1.00 0.00 O ATOM 3106 CB SER B 88 -14.902 -13.912 -5.419 1.00 0.00 C ATOM 3107 OG SER B 88 -14.860 -15.198 -6.013 1.00 0.00 O ATOM 0 H SER B 88 -13.119 -15.578 -4.932 1.00 0.00 H new ATOM 0 HA SER B 88 -13.538 -12.876 -4.143 1.00 0.00 H new ATOM 0 HB2 SER B 88 -15.930 -13.664 -5.156 1.00 0.00 H new ATOM 0 HB3 SER B 88 -14.568 -13.165 -6.139 1.00 0.00 H new ATOM 0 HG SER B 88 -15.432 -15.210 -6.809 1.00 0.00 H new ATOM 3113 N THR B 89 -15.147 -15.247 -2.553 1.00 0.00 N ATOM 3114 CA THR B 89 -15.932 -15.479 -1.355 1.00 0.00 C ATOM 3115 C THR B 89 -15.245 -14.793 -0.181 1.00 0.00 C ATOM 3116 O THR B 89 -15.873 -14.451 0.821 1.00 0.00 O ATOM 3117 CB THR B 89 -16.084 -16.975 -1.085 1.00 0.00 C ATOM 3118 OG1 THR B 89 -17.136 -17.205 -0.164 1.00 0.00 O ATOM 3119 CG2 THR B 89 -14.827 -17.616 -0.530 1.00 0.00 C ATOM 0 H THR B 89 -14.841 -16.089 -3.041 1.00 0.00 H new ATOM 0 HA THR B 89 -16.931 -15.066 -1.491 1.00 0.00 H new ATOM 0 HB THR B 89 -16.298 -17.429 -2.052 1.00 0.00 H new ATOM 0 HG1 THR B 89 -17.224 -18.167 -0.001 1.00 0.00 H new ATOM 0 HG21 THR B 89 -15.004 -18.678 -0.361 1.00 0.00 H new ATOM 0 HG22 THR B 89 -14.011 -17.493 -1.242 1.00 0.00 H new ATOM 0 HG23 THR B 89 -14.561 -17.138 0.413 1.00 0.00 H new ATOM 3127 N PHE B 90 -13.940 -14.581 -0.342 1.00 0.00 N ATOM 3128 CA PHE B 90 -13.130 -13.918 0.667 1.00 0.00 C ATOM 3129 C PHE B 90 -13.124 -12.408 0.441 1.00 0.00 C ATOM 3130 O PHE B 90 -12.413 -11.670 1.122 1.00 0.00 O ATOM 3131 CB PHE B 90 -11.708 -14.451 0.600 1.00 0.00 C ATOM 3132 CG PHE B 90 -11.404 -15.501 1.619 1.00 0.00 C ATOM 3133 CD1 PHE B 90 -11.338 -15.187 2.966 1.00 0.00 C ATOM 3134 CD2 PHE B 90 -11.165 -16.805 1.227 1.00 0.00 C ATOM 3135 CE1 PHE B 90 -11.035 -16.158 3.899 1.00 0.00 C ATOM 3136 CE2 PHE B 90 -10.870 -17.770 2.145 1.00 0.00 C ATOM 3137 CZ PHE B 90 -10.802 -17.454 3.485 1.00 0.00 C ATOM 0 H PHE B 90 -13.420 -14.864 -1.173 1.00 0.00 H new ATOM 0 HA PHE B 90 -13.554 -14.120 1.650 1.00 0.00 H new ATOM 0 HB2 PHE B 90 -11.531 -14.862 -0.394 1.00 0.00 H new ATOM 0 HB3 PHE B 90 -11.013 -13.621 0.730 1.00 0.00 H new ATOM 0 HD1 PHE B 90 -11.525 -14.174 3.289 1.00 0.00 H new ATOM 0 HD2 PHE B 90 -11.212 -17.063 0.179 1.00 0.00 H new ATOM 0 HE1 PHE B 90 -10.981 -15.905 4.948 1.00 0.00 H new ATOM 0 HE2 PHE B 90 -10.689 -18.784 1.821 1.00 0.00 H new ATOM 0 HZ PHE B 90 -10.567 -18.219 4.210 1.00 0.00 H new ATOM 3147 N ARG B 91 -13.913 -11.961 -0.533 1.00 0.00 N ATOM 3148 CA ARG B 91 -14.004 -10.546 -0.878 1.00 0.00 C ATOM 3149 C ARG B 91 -14.041 -9.660 0.362 1.00 0.00 C ATOM 3150 O ARG B 91 -13.257 -8.717 0.474 1.00 0.00 O ATOM 3151 CB ARG B 91 -15.241 -10.287 -1.723 1.00 0.00 C ATOM 3152 CG ARG B 91 -16.425 -11.020 -1.179 1.00 0.00 C ATOM 3153 CD ARG B 91 -17.459 -11.343 -2.243 1.00 0.00 C ATOM 3154 NE ARG B 91 -18.597 -10.427 -2.199 1.00 0.00 N ATOM 3155 CZ ARG B 91 -19.662 -10.530 -2.991 1.00 0.00 C ATOM 3156 NH1 ARG B 91 -19.739 -11.506 -3.888 1.00 0.00 N ATOM 3157 NH2 ARG B 91 -20.653 -9.656 -2.885 1.00 0.00 N ATOM 0 H ARG B 91 -14.504 -12.567 -1.102 1.00 0.00 H new ATOM 0 HA ARG B 91 -13.109 -10.294 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -15.451 -9.218 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -15.056 -10.600 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -16.090 -11.946 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -16.890 -10.419 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -16.993 -11.295 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -17.812 -12.365 -2.107 1.00 0.00 H new ATOM 0 HE ARG B 91 -18.574 -9.664 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -18.980 -12.182 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -20.557 -11.580 -4.492 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -20.599 -8.905 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -21.469 -9.734 -3.492 1.00 0.00 H new ATOM 3171 N ASN B 92 -14.938 -9.953 1.303 1.00 0.00 N ATOM 3172 CA ASN B 92 -15.013 -9.138 2.508 1.00 0.00 C ATOM 3173 C ASN B 92 -13.644 -9.055 3.159 1.00 0.00 C ATOM 3174 O ASN B 92 -13.190 -7.977 3.524 1.00 0.00 O ATOM 3175 CB ASN B 92 -16.035 -9.665 3.513 1.00 0.00 C ATOM 3176 CG ASN B 92 -15.522 -10.843 4.320 1.00 0.00 C ATOM 3177 OD1 ASN B 92 -14.705 -10.550 5.327 1.00 0.00 O flip ATOM 3178 ND2 ASN B 92 -15.855 -11.996 4.044 1.00 0.00 N flip ATOM 0 H ASN B 92 -15.603 -10.725 1.256 1.00 0.00 H new ATOM 0 HA ASN B 92 -15.345 -8.145 2.205 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -16.315 -8.861 4.193 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -16.939 -9.962 2.981 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -16.485 -12.171 3.261 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -15.501 -12.776 4.598 1.00 0.00 H new ATOM 3185 N GLU B 93 -12.972 -10.202 3.273 1.00 0.00 N ATOM 3186 CA GLU B 93 -11.633 -10.234 3.847 1.00 0.00 C ATOM 3187 C GLU B 93 -10.820 -9.123 3.240 1.00 0.00 C ATOM 3188 O GLU B 93 -10.143 -8.363 3.930 1.00 0.00 O ATOM 3189 CB GLU B 93 -10.931 -11.547 3.526 1.00 0.00 C ATOM 3190 CG GLU B 93 -10.306 -12.220 4.737 1.00 0.00 C ATOM 3191 CD GLU B 93 -11.298 -13.067 5.510 1.00 0.00 C ATOM 3192 OE1 GLU B 93 -12.516 -12.831 5.370 1.00 0.00 O ATOM 3193 OE2 GLU B 93 -10.856 -13.968 6.253 1.00 0.00 O ATOM 0 H GLU B 93 -13.331 -11.110 2.978 1.00 0.00 H new ATOM 0 HA GLU B 93 -11.721 -10.125 4.928 1.00 0.00 H new ATOM 0 HB2 GLU B 93 -11.649 -12.230 3.072 1.00 0.00 H new ATOM 0 HB3 GLU B 93 -10.154 -11.361 2.784 1.00 0.00 H new ATOM 0 HG2 GLU B 93 -9.475 -12.846 4.412 1.00 0.00 H new ATOM 0 HG3 GLU B 93 -9.892 -11.459 5.398 1.00 0.00 H new ATOM 3200 N ILE B 94 -10.907 -9.047 1.921 1.00 0.00 N ATOM 3201 CA ILE B 94 -10.192 -8.039 1.184 1.00 0.00 C ATOM 3202 C ILE B 94 -10.706 -6.661 1.579 1.00 0.00 C ATOM 3203 O ILE B 94 -9.934 -5.719 1.756 1.00 0.00 O ATOM 3204 CB ILE B 94 -10.324 -8.202 -0.349 1.00 0.00 C ATOM 3205 CG1 ILE B 94 -10.628 -9.657 -0.733 1.00 0.00 C ATOM 3206 CG2 ILE B 94 -9.054 -7.716 -1.027 1.00 0.00 C ATOM 3207 CD1 ILE B 94 -10.527 -9.936 -2.219 1.00 0.00 C ATOM 0 H ILE B 94 -11.468 -9.676 1.346 1.00 0.00 H new ATOM 0 HA ILE B 94 -9.137 -8.153 1.435 1.00 0.00 H new ATOM 0 HB ILE B 94 -11.163 -7.596 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -9.938 -10.314 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -11.633 -9.909 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -9.150 -7.832 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -8.894 -6.665 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -8.206 -8.302 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -10.756 -10.985 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -11.236 -9.307 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -9.516 -9.718 -2.562 1.00 0.00 H new ATOM 3219 N ILE B 95 -12.027 -6.564 1.728 1.00 0.00 N ATOM 3220 CA ILE B 95 -12.667 -5.318 2.119 1.00 0.00 C ATOM 3221 C ILE B 95 -12.329 -4.986 3.565 1.00 0.00 C ATOM 3222 O ILE B 95 -11.602 -4.029 3.830 1.00 0.00 O ATOM 3223 CB ILE B 95 -14.200 -5.387 1.958 1.00 0.00 C ATOM 3224 CG1 ILE B 95 -14.566 -5.825 0.540 1.00 0.00 C ATOM 3225 CG2 ILE B 95 -14.833 -4.041 2.281 1.00 0.00 C ATOM 3226 CD1 ILE B 95 -15.917 -6.499 0.444 1.00 0.00 C ATOM 0 H ILE B 95 -12.673 -7.340 1.582 1.00 0.00 H new ATOM 0 HA ILE B 95 -12.288 -4.537 1.459 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.588 -6.125 2.660 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -14.557 -4.953 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.801 -6.508 0.171 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.914 -4.109 2.162 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -14.598 -3.766 3.309 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -14.441 -3.282 1.604 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -16.110 -6.782 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -15.924 -7.390 1.072 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -16.692 -5.811 0.782 1.00 0.00 H new ATOM 3238 N ALA B 96 -12.846 -5.788 4.503 1.00 0.00 N ATOM 3239 CA ALA B 96 -12.570 -5.570 5.922 1.00 0.00 C ATOM 3240 C ALA B 96 -11.102 -5.208 6.137 1.00 0.00 C ATOM 3241 O ALA B 96 -10.776 -4.399 6.997 1.00 0.00 O ATOM 3242 CB ALA B 96 -12.951 -6.801 6.736 1.00 0.00 C ATOM 0 H ALA B 96 -13.451 -6.585 4.305 1.00 0.00 H new ATOM 0 HA ALA B 96 -13.178 -4.733 6.266 1.00 0.00 H new ATOM 0 HB1 ALA B 96 -12.739 -6.620 7.790 1.00 0.00 H new ATOM 0 HB2 ALA B 96 -14.014 -7.006 6.610 1.00 0.00 H new ATOM 0 HB3 ALA B 96 -12.373 -7.658 6.391 1.00 0.00 H new ATOM 3248 N ALA B 97 -10.224 -5.777 5.315 1.00 0.00 N ATOM 3249 CA ALA B 97 -8.797 -5.467 5.385 1.00 0.00 C ATOM 3250 C ALA B 97 -8.614 -3.969 5.260 1.00 0.00 C ATOM 3251 O ALA B 97 -8.311 -3.270 6.222 1.00 0.00 O ATOM 3252 CB ALA B 97 -8.060 -6.161 4.250 1.00 0.00 C ATOM 0 H ALA B 97 -10.474 -6.454 4.594 1.00 0.00 H new ATOM 0 HA ALA B 97 -8.395 -5.815 6.336 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -6.997 -5.925 4.308 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -8.198 -7.239 4.332 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -8.456 -5.816 3.295 1.00 0.00 H new ATOM 3258 N ILE B 98 -8.850 -3.493 4.056 1.00 0.00 N ATOM 3259 CA ILE B 98 -8.767 -2.090 3.738 1.00 0.00 C ATOM 3260 C ILE B 98 -9.633 -1.280 4.691 1.00 0.00 C ATOM 3261 O ILE B 98 -9.242 -0.241 5.220 1.00 0.00 O ATOM 3262 CB ILE B 98 -9.323 -1.887 2.316 1.00 0.00 C ATOM 3263 CG1 ILE B 98 -8.212 -1.953 1.269 1.00 0.00 C ATOM 3264 CG2 ILE B 98 -10.082 -0.569 2.193 1.00 0.00 C ATOM 3265 CD1 ILE B 98 -7.757 -3.355 0.953 1.00 0.00 C ATOM 0 H ILE B 98 -9.108 -4.080 3.263 1.00 0.00 H new ATOM 0 HA ILE B 98 -7.730 -1.765 3.818 1.00 0.00 H new ATOM 0 HB ILE B 98 -10.022 -2.702 2.130 1.00 0.00 H new ATOM 0 HG12 ILE B 98 -8.561 -1.479 0.352 1.00 0.00 H new ATOM 0 HG13 ILE B 98 -7.358 -1.375 1.622 1.00 0.00 H new ATOM 0 HG21 ILE B 98 -10.460 -0.460 1.176 1.00 0.00 H new ATOM 0 HG22 ILE B 98 -10.918 -0.564 2.893 1.00 0.00 H new ATOM 0 HG23 ILE B 98 -9.412 0.260 2.422 1.00 0.00 H new ATOM 0 HD11 ILE B 98 -6.967 -3.321 0.202 1.00 0.00 H new ATOM 0 HD12 ILE B 98 -7.376 -3.827 1.859 1.00 0.00 H new ATOM 0 HD13 ILE B 98 -8.598 -3.933 0.569 1.00 0.00 H new ATOM 3277 N ASP B 99 -10.848 -1.767 4.821 1.00 0.00 N ATOM 3278 CA ASP B 99 -11.889 -1.140 5.607 1.00 0.00 C ATOM 3279 C ASP B 99 -11.647 -1.141 7.119 1.00 0.00 C ATOM 3280 O ASP B 99 -12.171 -0.279 7.822 1.00 0.00 O ATOM 3281 CB ASP B 99 -13.193 -1.841 5.259 1.00 0.00 C ATOM 3282 CG ASP B 99 -14.363 -0.882 5.153 1.00 0.00 C ATOM 3283 OD1 ASP B 99 -14.126 0.319 4.906 1.00 0.00 O ATOM 3284 OD2 ASP B 99 -15.516 -1.333 5.316 1.00 0.00 O ATOM 0 H ASP B 99 -11.147 -2.632 4.371 1.00 0.00 H new ATOM 0 HA ASP B 99 -11.913 -0.081 5.352 1.00 0.00 H new ATOM 0 HB2 ASP B 99 -13.075 -2.370 4.313 1.00 0.00 H new ATOM 0 HB3 ASP B 99 -13.411 -2.591 6.019 1.00 0.00 H new ATOM 3289 N PHE B 100 -10.872 -2.082 7.634 1.00 0.00 N ATOM 3290 CA PHE B 100 -10.607 -2.119 9.068 1.00 0.00 C ATOM 3291 C PHE B 100 -9.209 -1.619 9.351 1.00 0.00 C ATOM 3292 O PHE B 100 -8.959 -0.892 10.312 1.00 0.00 O ATOM 3293 CB PHE B 100 -10.788 -3.539 9.618 1.00 0.00 C ATOM 3294 CG PHE B 100 -10.313 -3.709 11.035 1.00 0.00 C ATOM 3295 CD1 PHE B 100 -11.064 -3.227 12.095 1.00 0.00 C ATOM 3296 CD2 PHE B 100 -9.115 -4.351 11.303 1.00 0.00 C ATOM 3297 CE1 PHE B 100 -10.628 -3.383 13.397 1.00 0.00 C ATOM 3298 CE2 PHE B 100 -8.674 -4.510 12.603 1.00 0.00 C ATOM 3299 CZ PHE B 100 -9.432 -4.025 13.652 1.00 0.00 C ATOM 0 H PHE B 100 -10.421 -2.820 7.093 1.00 0.00 H new ATOM 0 HA PHE B 100 -11.323 -1.467 9.568 1.00 0.00 H new ATOM 0 HB2 PHE B 100 -11.843 -3.807 9.564 1.00 0.00 H new ATOM 0 HB3 PHE B 100 -10.249 -4.237 8.978 1.00 0.00 H new ATOM 0 HD1 PHE B 100 -12.000 -2.724 11.902 1.00 0.00 H new ATOM 0 HD2 PHE B 100 -8.519 -4.732 10.487 1.00 0.00 H new ATOM 0 HE1 PHE B 100 -11.222 -3.003 14.215 1.00 0.00 H new ATOM 0 HE2 PHE B 100 -7.738 -5.013 12.799 1.00 0.00 H new ATOM 0 HZ PHE B 100 -9.090 -4.148 14.669 1.00 0.00 H new ATOM 3309 N LEU B 101 -8.307 -2.052 8.500 1.00 0.00 N ATOM 3310 CA LEU B 101 -6.908 -1.715 8.604 1.00 0.00 C ATOM 3311 C LEU B 101 -6.614 -0.362 7.977 1.00 0.00 C ATOM 3312 O LEU B 101 -5.781 0.391 8.475 1.00 0.00 O ATOM 3313 CB LEU B 101 -6.118 -2.815 7.906 1.00 0.00 C ATOM 3314 CG LEU B 101 -4.987 -2.365 6.988 1.00 0.00 C ATOM 3315 CD1 LEU B 101 -3.811 -1.829 7.788 1.00 0.00 C ATOM 3316 CD2 LEU B 101 -4.569 -3.518 6.099 1.00 0.00 C ATOM 0 H LEU B 101 -8.528 -2.655 7.708 1.00 0.00 H new ATOM 0 HA LEU B 101 -6.621 -1.642 9.653 1.00 0.00 H new ATOM 0 HB2 LEU B 101 -5.697 -3.469 8.670 1.00 0.00 H new ATOM 0 HB3 LEU B 101 -6.814 -3.415 7.320 1.00 0.00 H new ATOM 0 HG LEU B 101 -5.344 -1.549 6.360 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -3.020 -1.516 7.107 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -4.135 -0.976 8.384 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -3.433 -2.610 8.448 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -3.760 -3.197 5.442 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -4.227 -4.348 6.717 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -5.419 -3.840 5.497 1.00 0.00 H new ATOM 3328 N ILE B 102 -7.286 -0.065 6.871 1.00 0.00 N ATOM 3329 CA ILE B 102 -7.063 1.192 6.180 1.00 0.00 C ATOM 3330 C ILE B 102 -8.222 2.168 6.386 1.00 0.00 C ATOM 3331 O ILE B 102 -8.105 3.347 6.051 1.00 0.00 O ATOM 3332 CB ILE B 102 -6.833 0.973 4.666 1.00 0.00 C ATOM 3333 CG1 ILE B 102 -5.935 -0.253 4.428 1.00 0.00 C ATOM 3334 CG2 ILE B 102 -6.214 2.218 4.045 1.00 0.00 C ATOM 3335 CD1 ILE B 102 -5.540 -0.449 2.976 1.00 0.00 C ATOM 0 H ILE B 102 -7.982 -0.673 6.440 1.00 0.00 H new ATOM 0 HA ILE B 102 -6.163 1.628 6.614 1.00 0.00 H new ATOM 0 HB ILE B 102 -7.796 0.788 4.190 1.00 0.00 H new ATOM 0 HG12 ILE B 102 -5.032 -0.153 5.030 1.00 0.00 H new ATOM 0 HG13 ILE B 102 -6.454 -1.145 4.777 1.00 0.00 H new ATOM 0 HG21 ILE B 102 -6.056 2.053 2.979 1.00 0.00 H new ATOM 0 HG22 ILE B 102 -6.884 3.066 4.186 1.00 0.00 H new ATOM 0 HG23 ILE B 102 -5.258 2.427 4.525 1.00 0.00 H new ATOM 0 HD11 ILE B 102 -4.908 -1.332 2.887 1.00 0.00 H new ATOM 0 HD12 ILE B 102 -6.436 -0.582 2.370 1.00 0.00 H new ATOM 0 HD13 ILE B 102 -4.992 0.426 2.627 1.00 0.00 H new ATOM 3347 N THR B 103 -9.340 1.691 6.942 1.00 0.00 N ATOM 3348 CA THR B 103 -10.485 2.570 7.174 1.00 0.00 C ATOM 3349 C THR B 103 -10.960 2.499 8.619 1.00 0.00 C ATOM 3350 O THR B 103 -11.410 3.498 9.181 1.00 0.00 O ATOM 3351 CB THR B 103 -11.631 2.233 6.217 1.00 0.00 C ATOM 3352 OG1 THR B 103 -11.133 1.926 4.927 1.00 0.00 O ATOM 3353 CG2 THR B 103 -12.631 3.358 6.065 1.00 0.00 C ATOM 0 H THR B 103 -9.474 0.723 7.233 1.00 0.00 H new ATOM 0 HA THR B 103 -10.158 3.592 6.980 1.00 0.00 H new ATOM 0 HB THR B 103 -12.136 1.375 6.660 1.00 0.00 H new ATOM 0 HG1 THR B 103 -10.547 1.142 4.981 1.00 0.00 H new ATOM 0 HG21 THR B 103 -13.417 3.055 5.374 1.00 0.00 H new ATOM 0 HG22 THR B 103 -13.070 3.588 7.036 1.00 0.00 H new ATOM 0 HG23 THR B 103 -12.127 4.243 5.676 1.00 0.00 H new ATOM 3361 N GLY B 104 -10.849 1.325 9.223 1.00 0.00 N ATOM 3362 CA GLY B 104 -11.263 1.168 10.600 1.00 0.00 C ATOM 3363 C GLY B 104 -12.717 1.542 10.827 1.00 0.00 C ATOM 3364 O GLY B 104 -13.021 2.377 11.679 1.00 0.00 O ATOM 0 H GLY B 104 -10.481 0.481 8.785 1.00 0.00 H new ATOM 0 HA2 GLY B 104 -11.108 0.133 10.905 1.00 0.00 H new ATOM 0 HA3 GLY B 104 -10.630 1.786 11.237 1.00 0.00 H new ATOM 3368 N ILE B 105 -13.616 0.922 10.069 1.00 0.00 N ATOM 3369 CA ILE B 105 -15.043 1.199 10.202 1.00 0.00 C ATOM 3370 C ILE B 105 -15.752 0.077 10.952 1.00 0.00 C ATOM 3371 O ILE B 105 -15.063 -0.696 11.650 1.00 0.00 O ATOM 3372 CB ILE B 105 -15.722 1.394 8.830 1.00 0.00 C ATOM 3373 CG1 ILE B 105 -15.173 0.402 7.800 1.00 0.00 C ATOM 3374 CG2 ILE B 105 -15.532 2.823 8.345 1.00 0.00 C ATOM 3375 CD1 ILE B 105 -15.252 -1.044 8.244 1.00 0.00 C ATOM 3376 OXT ILE B 105 -16.992 -0.020 10.836 1.00 0.00 O ATOM 0 H ILE B 105 -13.384 0.227 9.359 1.00 0.00 H new ATOM 0 HA ILE B 105 -15.127 2.126 10.768 1.00 0.00 H new ATOM 0 HB ILE B 105 -16.789 1.203 8.948 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -15.726 0.517 6.868 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -14.133 0.651 7.587 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -16.016 2.946 7.376 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -15.976 3.513 9.063 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -14.467 3.036 8.248 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -14.845 -1.687 7.464 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -14.675 -1.175 9.160 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -16.292 -1.312 8.429 1.00 0.00 H new