USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1069 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 23 MET CE :methyl 140:sc= -0.389 (180deg=-0.436) USER MOD Set 1.2: A 53 MET CE :methyl -161:sc= -0.146 (180deg=-0.732) USER MOD Set 2.1: A 45 ASN : amide:sc= -1.7! C(o=-1.6!,f=-2.7!) USER MOD Set 2.2: A 48 THR OG1 : rot 73:sc= 0.074 USER MOD Set 3.1: A 35 ASN : amide:sc= 1.03 K(o=2.3,f=-4.8) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 162:sc= 1.28 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -143:sc= 1.13 (180deg=0.212) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.9!) USER MOD Single : A 5 MET CE :methyl -168:sc=-0.00108 (180deg=-0.172) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.13) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= 1.34 (180deg=1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.0601 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 172:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -72:sc= 0.0893 USER MOD Single : A 57 THR OG1 : rot -43:sc= 0.135 USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= 1.03 (180deg=0.757) USER MOD Single : A 60 ASN : amide:sc= -0.309 K(o=-0.31,f=-4.5!) USER MOD Single : A 61 MET CE :methyl -162:sc= -0.15 (180deg=-1.11) USER MOD Single : A 67 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.16) USER MOD Single : A 69 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=-0.048) USER MOD Single : A 70 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.0096) USER MOD Single : A 72 ASN : amide:sc= 0.343 K(o=0.34,f=-5.3!) USER MOD Single : A 74 MET CE :methyl 161:sc= 0 (180deg=-0.188) USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= 1.03 (180deg=-0.166) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS :FLIP no HD1:sc= 0.0676 F(o=-0.54,f=0.068) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.77) USER MOD Single : A 89 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.3) USER MOD Single : A 95 HIS : no HD1:sc= -0.0795 X(o=-0.079,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -80:sc= 1.01 USER MOD Single : A 101 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 104 ASN : amide:sc= 0.945 K(o=0.94,f=-6.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 71:sc= 1.32 USER MOD Single : A 116 THR OG1 : rot 83:sc= 1.06 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : A 130 SER OG : rot -170:sc= 0 USER MOD Single : A 131 MET CE :methyl -124:sc= 0 (180deg=-0.0642) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.417 19.555 19.885 1.00 0.00 N ATOM 2 CA SER A 1 2.433 18.542 20.943 1.00 0.00 C ATOM 3 C SER A 1 2.426 17.172 20.292 1.00 0.00 C ATOM 4 O SER A 1 1.360 16.619 20.016 1.00 0.00 O ATOM 5 CB SER A 1 1.269 18.718 21.912 1.00 0.00 C ATOM 6 OG SER A 1 1.403 19.934 22.619 1.00 0.00 O ATOM 0 H1 SER A 1 3.010 20.361 20.168 1.00 0.00 H new ATOM 0 H2 SER A 1 2.788 19.144 19.005 1.00 0.00 H new ATOM 0 H3 SER A 1 1.441 19.880 19.730 1.00 0.00 H new ATOM 0 HA SER A 1 3.337 18.654 21.542 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.326 18.709 21.365 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.240 17.883 22.612 1.00 0.00 H new ATOM 0 HG SER A 1 0.650 20.038 23.237 1.00 0.00 H new ATOM 12 N GLN A 2 3.610 16.612 20.041 1.00 0.00 N ATOM 13 CA GLN A 2 3.993 15.929 18.830 1.00 0.00 C ATOM 14 C GLN A 2 3.952 16.898 17.630 1.00 0.00 C ATOM 15 O GLN A 2 3.467 18.027 17.752 1.00 0.00 O ATOM 16 CB GLN A 2 3.209 14.617 18.722 1.00 0.00 C ATOM 17 CG GLN A 2 1.990 14.671 17.775 1.00 0.00 C ATOM 18 CD GLN A 2 0.753 13.893 18.238 1.00 0.00 C ATOM 19 OE1 GLN A 2 0.739 13.199 19.251 1.00 0.00 O ATOM 20 NE2 GLN A 2 -0.358 14.016 17.531 1.00 0.00 N ATOM 0 H GLN A 2 4.365 16.631 20.727 1.00 0.00 H new ATOM 0 HA GLN A 2 5.035 15.611 18.841 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.884 13.833 18.379 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.867 14.331 19.717 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.708 15.715 17.634 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.293 14.289 16.800 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.365 14.588 16.687 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.208 13.538 17.830 1.00 0.00 H new ATOM 29 N GLU A 3 4.444 16.459 16.476 1.00 0.00 N ATOM 30 CA GLU A 3 4.419 17.167 15.205 1.00 0.00 C ATOM 31 C GLU A 3 4.100 16.081 14.184 1.00 0.00 C ATOM 32 O GLU A 3 4.999 15.514 13.568 1.00 0.00 O ATOM 33 CB GLU A 3 5.743 17.891 14.931 1.00 0.00 C ATOM 34 CG GLU A 3 5.856 19.278 15.579 1.00 0.00 C ATOM 35 CD GLU A 3 4.916 20.347 15.008 1.00 0.00 C ATOM 36 OE1 GLU A 3 4.128 20.085 14.063 1.00 0.00 O ATOM 37 OE2 GLU A 3 4.988 21.490 15.507 1.00 0.00 O ATOM 0 H GLU A 3 4.896 15.548 16.401 1.00 0.00 H new ATOM 0 HA GLU A 3 3.680 17.968 15.177 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.563 17.269 15.289 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.869 17.996 13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.661 19.179 16.647 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.883 19.627 15.474 1.00 0.00 H new ATOM 44 N VAL A 4 2.811 15.729 14.140 1.00 0.00 N ATOM 45 CA VAL A 4 2.123 14.760 13.294 1.00 0.00 C ATOM 46 C VAL A 4 3.014 13.540 13.022 1.00 0.00 C ATOM 47 O VAL A 4 3.306 13.141 11.897 1.00 0.00 O ATOM 48 CB VAL A 4 1.570 15.518 12.077 1.00 0.00 C ATOM 49 CG1 VAL A 4 0.785 14.605 11.116 1.00 0.00 C ATOM 50 CG2 VAL A 4 0.615 16.647 12.499 1.00 0.00 C ATOM 0 H VAL A 4 2.149 16.174 14.776 1.00 0.00 H new ATOM 0 HA VAL A 4 1.259 14.307 13.780 1.00 0.00 H new ATOM 0 HB VAL A 4 2.449 15.919 11.572 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.417 15.193 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.440 13.815 10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.059 14.160 11.644 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.244 17.160 11.612 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.225 16.226 13.052 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.148 17.356 13.133 1.00 0.00 H new ATOM 60 N MET A 5 3.434 12.920 14.122 1.00 0.00 N ATOM 61 CA MET A 5 4.424 11.854 14.167 1.00 0.00 C ATOM 62 C MET A 5 3.838 10.625 14.855 1.00 0.00 C ATOM 63 O MET A 5 4.559 9.836 15.456 1.00 0.00 O ATOM 64 CB MET A 5 5.713 12.381 14.809 1.00 0.00 C ATOM 65 CG MET A 5 5.566 12.737 16.294 1.00 0.00 C ATOM 66 SD MET A 5 6.838 13.846 16.958 1.00 0.00 S ATOM 67 CE MET A 5 8.333 12.997 16.374 1.00 0.00 C ATOM 0 H MET A 5 3.076 13.160 15.046 1.00 0.00 H new ATOM 0 HA MET A 5 4.692 11.530 13.161 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.495 11.629 14.701 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.044 13.265 14.264 1.00 0.00 H new ATOM 0 HG2 MET A 5 4.590 13.199 16.444 1.00 0.00 H new ATOM 0 HG3 MET A 5 5.574 11.814 16.874 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.208 13.420 16.868 1.00 0.00 H new ATOM 0 HE2 MET A 5 8.262 11.935 16.607 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.427 13.127 15.296 1.00 0.00 H new ATOM 77 N LYS A 6 2.510 10.482 14.804 1.00 0.00 N ATOM 78 CA LYS A 6 1.776 9.240 15.037 1.00 0.00 C ATOM 79 C LYS A 6 2.203 8.179 14.015 1.00 0.00 C ATOM 80 O LYS A 6 3.211 8.332 13.319 1.00 0.00 O ATOM 81 CB LYS A 6 0.276 9.571 14.921 1.00 0.00 C ATOM 82 CG LYS A 6 -0.221 10.490 16.045 1.00 0.00 C ATOM 83 CD LYS A 6 -0.456 9.700 17.339 1.00 0.00 C ATOM 84 CE LYS A 6 -1.103 10.606 18.385 1.00 0.00 C ATOM 85 NZ LYS A 6 -1.459 9.868 19.610 1.00 0.00 N ATOM 0 H LYS A 6 1.893 11.265 14.589 1.00 0.00 H new ATOM 0 HA LYS A 6 1.988 8.831 16.025 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.087 10.047 13.959 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.298 8.644 14.936 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.510 11.279 16.224 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.147 10.977 15.739 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.097 8.841 17.141 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.490 9.311 17.716 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.419 11.416 18.636 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.998 11.064 17.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.895 10.519 20.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.132 9.111 19.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.601 9.452 20.027 1.00 0.00 H new ATOM 99 N ASN A 7 1.424 7.101 13.895 1.00 0.00 N ATOM 100 CA ASN A 7 1.508 6.214 12.746 1.00 0.00 C ATOM 101 C ASN A 7 1.471 7.005 11.437 1.00 0.00 C ATOM 102 O ASN A 7 0.948 8.121 11.411 1.00 0.00 O ATOM 103 CB ASN A 7 0.383 5.159 12.795 1.00 0.00 C ATOM 104 CG ASN A 7 -0.971 5.487 12.148 1.00 0.00 C ATOM 105 OD1 ASN A 7 -1.707 4.592 11.745 1.00 0.00 O ATOM 106 ND2 ASN A 7 -1.387 6.737 12.087 1.00 0.00 N ATOM 0 H ASN A 7 0.727 6.826 14.587 1.00 0.00 H new ATOM 0 HA ASN A 7 2.464 5.691 12.786 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.762 4.251 12.325 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.199 4.922 13.843 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.310 6.949 11.708 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.786 7.491 12.418 1.00 0.00 H new ATOM 113 N LEU A 8 1.900 6.339 10.370 1.00 0.00 N ATOM 114 CA LEU A 8 1.588 6.619 8.972 1.00 0.00 C ATOM 115 C LEU A 8 1.887 8.069 8.523 1.00 0.00 C ATOM 116 O LEU A 8 1.136 9.001 8.809 1.00 0.00 O ATOM 117 CB LEU A 8 0.150 6.092 8.711 1.00 0.00 C ATOM 118 CG LEU A 8 -0.350 6.062 7.262 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.205 7.293 6.964 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.799 5.873 6.275 1.00 0.00 C ATOM 0 H LEU A 8 2.518 5.533 10.466 1.00 0.00 H new ATOM 0 HA LEU A 8 2.272 6.083 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.088 5.079 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.541 6.704 9.291 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.994 5.192 7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.551 7.254 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.065 7.310 7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.610 8.194 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.406 5.857 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.506 6.696 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.306 4.931 6.483 1.00 0.00 H new ATOM 132 N SER A 9 3.015 8.266 7.832 1.00 0.00 N ATOM 133 CA SER A 9 3.466 9.558 7.311 1.00 0.00 C ATOM 134 C SER A 9 2.671 10.003 6.082 1.00 0.00 C ATOM 135 O SER A 9 2.326 11.183 5.983 1.00 0.00 O ATOM 136 CB SER A 9 4.953 9.479 6.948 1.00 0.00 C ATOM 137 OG SER A 9 5.739 9.420 8.125 1.00 0.00 O ATOM 0 H SER A 9 3.659 7.505 7.614 1.00 0.00 H new ATOM 0 HA SER A 9 3.302 10.296 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.139 8.599 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.237 10.348 6.355 1.00 0.00 H new ATOM 0 HG SER A 9 6.687 9.368 7.883 1.00 0.00 H new ATOM 143 N LEU A 10 2.374 9.086 5.151 1.00 0.00 N ATOM 144 CA LEU A 10 1.468 9.309 4.023 1.00 0.00 C ATOM 145 C LEU A 10 0.085 9.732 4.534 1.00 0.00 C ATOM 146 O LEU A 10 -0.165 9.780 5.737 1.00 0.00 O ATOM 147 CB LEU A 10 1.398 8.054 3.113 1.00 0.00 C ATOM 148 CG LEU A 10 2.607 7.788 2.181 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.357 6.633 1.199 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.976 9.054 1.391 1.00 0.00 C ATOM 0 H LEU A 10 2.769 8.146 5.165 1.00 0.00 H new ATOM 0 HA LEU A 10 1.857 10.122 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.265 7.181 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.505 8.135 2.493 1.00 0.00 H new ATOM 0 HG LEU A 10 3.434 7.501 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.237 6.492 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.158 5.718 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.498 6.869 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.827 8.844 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.126 9.364 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.237 9.853 2.085 1.00 0.00 H new ATOM 162 N ASN A 11 -0.851 10.041 3.635 1.00 0.00 N ATOM 163 CA ASN A 11 -2.196 10.453 4.030 1.00 0.00 C ATOM 164 C ASN A 11 -3.214 9.425 3.568 1.00 0.00 C ATOM 165 O ASN A 11 -3.955 9.658 2.617 1.00 0.00 O ATOM 166 CB ASN A 11 -2.525 11.863 3.532 1.00 0.00 C ATOM 167 CG ASN A 11 -3.641 12.441 4.398 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.584 11.746 4.780 1.00 0.00 O ATOM 169 ND2 ASN A 11 -3.526 13.691 4.795 1.00 0.00 N ATOM 0 H ASN A 11 -0.700 10.013 2.627 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.239 10.499 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.640 12.498 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.835 11.832 2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.221 14.092 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.742 14.258 4.473 1.00 0.00 H new ATOM 176 N PHE A 12 -3.235 8.247 4.181 1.00 0.00 N ATOM 177 CA PHE A 12 -4.146 7.206 3.745 1.00 0.00 C ATOM 178 C PHE A 12 -5.605 7.560 4.085 1.00 0.00 C ATOM 179 O PHE A 12 -6.502 7.239 3.304 1.00 0.00 O ATOM 180 CB PHE A 12 -3.694 5.844 4.292 1.00 0.00 C ATOM 181 CG PHE A 12 -2.635 5.160 3.437 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.300 5.587 3.517 1.00 0.00 C ATOM 183 CD2 PHE A 12 -2.957 4.116 2.547 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.293 4.973 2.753 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.956 3.508 1.771 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.622 3.936 1.868 1.00 0.00 C ATOM 0 H PHE A 12 -2.639 7.995 4.970 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.115 7.131 2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.302 5.979 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.562 5.189 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.042 6.402 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.980 3.781 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.732 5.299 2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.214 2.706 1.095 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.144 3.470 1.266 1.00 0.00 H new ATOM 196 N GLY A 13 -5.881 8.245 5.197 1.00 0.00 N ATOM 197 CA GLY A 13 -7.245 8.559 5.617 1.00 0.00 C ATOM 198 C GLY A 13 -8.039 9.320 4.550 1.00 0.00 C ATOM 199 O GLY A 13 -9.208 9.000 4.319 1.00 0.00 O ATOM 0 H GLY A 13 -5.163 8.597 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.767 7.633 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.211 9.154 6.530 1.00 0.00 H new ATOM 203 N LYS A 14 -7.413 10.281 3.862 1.00 0.00 N ATOM 204 CA LYS A 14 -8.020 11.032 2.762 1.00 0.00 C ATOM 205 C LYS A 14 -8.324 10.121 1.578 1.00 0.00 C ATOM 206 O LYS A 14 -9.490 9.970 1.230 1.00 0.00 O ATOM 207 CB LYS A 14 -7.087 12.194 2.372 1.00 0.00 C ATOM 208 CG LYS A 14 -7.397 13.489 3.124 1.00 0.00 C ATOM 209 CD LYS A 14 -8.493 14.316 2.445 1.00 0.00 C ATOM 210 CE LYS A 14 -8.122 14.942 1.087 1.00 0.00 C ATOM 211 NZ LYS A 14 -7.024 15.927 1.186 1.00 0.00 N ATOM 0 H LYS A 14 -6.453 10.562 4.059 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.975 11.446 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.055 11.905 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.169 12.374 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.706 13.249 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.489 14.088 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.366 13.679 2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.789 15.116 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.832 14.151 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.002 15.428 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.819 16.314 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.307 16.699 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.173 15.462 1.562 1.00 0.00 H new ATOM 225 N ALA A 15 -7.320 9.493 0.962 1.00 0.00 N ATOM 226 CA ALA A 15 -7.498 8.635 -0.202 1.00 0.00 C ATOM 227 C ALA A 15 -8.535 7.540 0.065 1.00 0.00 C ATOM 228 O ALA A 15 -9.299 7.218 -0.838 1.00 0.00 O ATOM 229 CB ALA A 15 -6.148 8.020 -0.576 1.00 0.00 C ATOM 0 H ALA A 15 -6.349 9.570 1.265 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.871 9.236 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.270 7.376 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.439 8.814 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.772 7.432 0.261 1.00 0.00 H new ATOM 235 N LEU A 16 -8.605 6.970 1.277 1.00 0.00 N ATOM 236 CA LEU A 16 -9.622 5.969 1.619 1.00 0.00 C ATOM 237 C LEU A 16 -11.017 6.587 1.587 1.00 0.00 C ATOM 238 O LEU A 16 -11.924 5.941 1.084 1.00 0.00 O ATOM 239 CB LEU A 16 -9.339 5.329 2.998 1.00 0.00 C ATOM 240 CG LEU A 16 -8.395 4.117 2.864 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.476 3.928 4.063 1.00 0.00 C ATOM 242 CD2 LEU A 16 -9.116 2.784 2.689 1.00 0.00 C ATOM 0 H LEU A 16 -7.964 7.188 2.040 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.577 5.178 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.893 6.070 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.277 5.015 3.456 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.827 4.367 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.840 3.058 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.854 4.814 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.076 3.777 4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.383 1.982 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.755 2.600 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.727 2.816 1.787 1.00 0.00 H new ATOM 254 N ASP A 17 -11.202 7.821 2.066 1.00 0.00 N ATOM 255 CA ASP A 17 -12.474 8.566 2.038 1.00 0.00 C ATOM 256 C ASP A 17 -12.974 8.839 0.614 1.00 0.00 C ATOM 257 O ASP A 17 -14.145 9.171 0.431 1.00 0.00 O ATOM 258 CB ASP A 17 -12.294 9.907 2.787 1.00 0.00 C ATOM 259 CG ASP A 17 -13.583 10.518 3.348 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.659 9.879 3.350 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.497 11.602 3.978 1.00 0.00 O ATOM 0 H ASP A 17 -10.446 8.351 2.500 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.225 7.945 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.595 9.755 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.836 10.626 2.108 1.00 0.00 H new ATOM 266 N GLU A 18 -12.123 8.659 -0.401 1.00 0.00 N ATOM 267 CA GLU A 18 -12.476 8.865 -1.801 1.00 0.00 C ATOM 268 C GLU A 18 -12.561 7.515 -2.516 1.00 0.00 C ATOM 269 O GLU A 18 -13.576 7.211 -3.136 1.00 0.00 O ATOM 270 CB GLU A 18 -11.523 9.892 -2.442 1.00 0.00 C ATOM 271 CG GLU A 18 -11.545 11.187 -1.612 1.00 0.00 C ATOM 272 CD GLU A 18 -11.078 12.474 -2.295 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.389 12.435 -3.336 1.00 0.00 O ATOM 274 OE2 GLU A 18 -11.357 13.558 -1.720 1.00 0.00 O ATOM 0 H GLU A 18 -11.157 8.362 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.469 9.305 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.511 9.490 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.828 10.098 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.565 11.344 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.925 11.031 -0.729 1.00 0.00 H new ATOM 281 N CYS A 19 -11.583 6.624 -2.334 1.00 0.00 N ATOM 282 CA CYS A 19 -11.634 5.260 -2.846 1.00 0.00 C ATOM 283 C CYS A 19 -12.844 4.486 -2.329 1.00 0.00 C ATOM 284 O CYS A 19 -13.442 3.726 -3.084 1.00 0.00 O ATOM 285 CB CYS A 19 -10.345 4.512 -2.508 1.00 0.00 C ATOM 286 SG CYS A 19 -9.131 4.525 -3.843 1.00 0.00 S ATOM 0 H CYS A 19 -10.727 6.835 -1.821 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.736 5.332 -3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.899 4.957 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.589 3.479 -2.260 1.00 0.00 H new ATOM 291 N LYS A 20 -13.279 4.701 -1.086 1.00 0.00 N ATOM 292 CA LYS A 20 -14.527 4.134 -0.556 1.00 0.00 C ATOM 293 C LYS A 20 -15.764 4.629 -1.278 1.00 0.00 C ATOM 294 O LYS A 20 -16.810 4.003 -1.121 1.00 0.00 O ATOM 295 CB LYS A 20 -14.654 4.437 0.938 1.00 0.00 C ATOM 296 CG LYS A 20 -14.941 5.915 1.248 1.00 0.00 C ATOM 297 CD LYS A 20 -16.412 6.277 1.467 1.00 0.00 C ATOM 298 CE LYS A 20 -16.843 5.595 2.781 1.00 0.00 C ATOM 299 NZ LYS A 20 -18.054 6.167 3.398 1.00 0.00 N ATOM 0 H LYS A 20 -12.774 5.277 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.468 3.058 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.453 3.826 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.732 4.143 1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.381 6.195 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.556 6.520 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.540 7.358 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.024 5.933 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.015 4.536 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.022 5.659 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.079 5.920 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.041 7.202 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.898 5.783 2.927 1.00 0.00 H new ATOM 313 N LYS A 21 -15.665 5.629 -2.149 1.00 0.00 N ATOM 314 CA LYS A 21 -16.753 6.019 -3.018 1.00 0.00 C ATOM 315 C LYS A 21 -16.610 5.333 -4.389 1.00 0.00 C ATOM 316 O LYS A 21 -17.589 4.791 -4.885 1.00 0.00 O ATOM 317 CB LYS A 21 -16.836 7.551 -3.111 1.00 0.00 C ATOM 318 CG LYS A 21 -16.942 8.139 -1.695 1.00 0.00 C ATOM 319 CD LYS A 21 -17.100 9.656 -1.651 1.00 0.00 C ATOM 320 CE LYS A 21 -17.220 9.983 -0.162 1.00 0.00 C ATOM 321 NZ LYS A 21 -17.386 11.418 0.103 1.00 0.00 N ATOM 0 H LYS A 21 -14.821 6.189 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.701 5.682 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.954 7.945 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.701 7.845 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.792 7.683 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.050 7.863 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.243 10.158 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.983 9.980 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.070 9.442 0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.330 9.625 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.461 11.575 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.564 11.937 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.250 11.760 -0.364 1.00 0.00 H new ATOM 335 N GLU A 22 -15.403 5.293 -4.980 1.00 0.00 N ATOM 336 CA GLU A 22 -15.169 4.913 -6.390 1.00 0.00 C ATOM 337 C GLU A 22 -15.500 3.451 -6.753 1.00 0.00 C ATOM 338 O GLU A 22 -15.596 3.114 -7.933 1.00 0.00 O ATOM 339 CB GLU A 22 -13.705 5.180 -6.809 1.00 0.00 C ATOM 340 CG GLU A 22 -13.199 6.593 -6.487 1.00 0.00 C ATOM 341 CD GLU A 22 -12.034 7.049 -7.376 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.966 6.396 -7.414 1.00 0.00 O ATOM 343 OE2 GLU A 22 -12.153 8.146 -7.977 1.00 0.00 O ATOM 0 H GLU A 22 -14.544 5.528 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.870 5.545 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.060 4.455 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.610 5.009 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.024 7.298 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.884 6.628 -5.444 1.00 0.00 H new ATOM 350 N MET A 23 -15.621 2.558 -5.775 1.00 0.00 N ATOM 351 CA MET A 23 -15.941 1.138 -5.885 1.00 0.00 C ATOM 352 C MET A 23 -17.290 0.799 -5.231 1.00 0.00 C ATOM 353 O MET A 23 -17.645 -0.379 -5.158 1.00 0.00 O ATOM 354 CB MET A 23 -14.852 0.278 -5.206 1.00 0.00 C ATOM 355 CG MET A 23 -13.493 0.912 -4.899 1.00 0.00 C ATOM 356 SD MET A 23 -12.147 -0.255 -4.607 1.00 0.00 S ATOM 357 CE MET A 23 -11.818 -0.770 -6.307 1.00 0.00 C ATOM 0 H MET A 23 -15.486 2.833 -4.802 1.00 0.00 H new ATOM 0 HA MET A 23 -15.994 0.916 -6.951 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.263 -0.092 -4.267 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.675 -0.590 -5.841 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.216 1.560 -5.731 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.597 1.548 -4.020 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.742 -0.862 -6.458 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.294 -1.732 -6.494 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.219 -0.027 -6.996 1.00 0.00 H new ATOM 367 N THR A 24 -17.980 1.801 -4.676 1.00 0.00 N ATOM 368 CA THR A 24 -18.939 1.695 -3.583 1.00 0.00 C ATOM 369 C THR A 24 -18.614 0.522 -2.625 1.00 0.00 C ATOM 370 O THR A 24 -19.340 -0.471 -2.552 1.00 0.00 O ATOM 371 CB THR A 24 -20.362 1.710 -4.161 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.529 2.836 -5.004 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.410 1.881 -3.063 1.00 0.00 C ATOM 0 H THR A 24 -17.874 2.762 -5.000 1.00 0.00 H new ATOM 0 HA THR A 24 -18.863 2.564 -2.929 1.00 0.00 H new ATOM 0 HB THR A 24 -20.491 0.765 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.438 2.838 -5.370 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.405 1.887 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.334 1.055 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 24 -21.240 2.823 -2.541 1.00 0.00 H new ATOM 381 N LEU A 25 -17.519 0.649 -1.868 1.00 0.00 N ATOM 382 CA LEU A 25 -17.134 -0.238 -0.765 1.00 0.00 C ATOM 383 C LEU A 25 -18.091 -0.013 0.420 1.00 0.00 C ATOM 384 O LEU A 25 -19.038 0.778 0.315 1.00 0.00 O ATOM 385 CB LEU A 25 -15.669 0.000 -0.324 1.00 0.00 C ATOM 386 CG LEU A 25 -14.552 -0.136 -1.386 1.00 0.00 C ATOM 387 CD1 LEU A 25 -13.208 0.319 -0.798 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.405 -1.556 -1.945 1.00 0.00 C ATOM 0 H LEU A 25 -16.849 1.404 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.205 -1.270 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.607 1.004 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.447 -0.698 0.483 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.846 0.504 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.428 0.220 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.281 1.361 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.960 -0.300 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.604 -1.575 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.167 -2.244 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.340 -1.860 -2.416 1.00 0.00 H new ATOM 400 N THR A 26 -17.859 -0.668 1.562 1.00 0.00 N ATOM 401 CA THR A 26 -18.561 -0.352 2.809 1.00 0.00 C ATOM 402 C THR A 26 -18.068 1.001 3.356 1.00 0.00 C ATOM 403 O THR A 26 -17.275 1.700 2.718 1.00 0.00 O ATOM 404 CB THR A 26 -18.414 -1.489 3.843 1.00 0.00 C ATOM 405 OG1 THR A 26 -17.091 -1.644 4.270 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.916 -2.852 3.371 1.00 0.00 C ATOM 0 H THR A 26 -17.184 -1.427 1.648 1.00 0.00 H new ATOM 0 HA THR A 26 -19.627 -0.264 2.602 1.00 0.00 H new ATOM 0 HB THR A 26 -19.051 -1.163 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.012 -2.466 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.772 -3.587 4.163 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.976 -2.785 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.359 -3.158 2.486 1.00 0.00 H new ATOM 414 N ASP A 27 -18.561 1.426 4.523 1.00 0.00 N ATOM 415 CA ASP A 27 -17.898 2.466 5.325 1.00 0.00 C ATOM 416 C ASP A 27 -16.818 1.862 6.233 1.00 0.00 C ATOM 417 O ASP A 27 -15.894 2.543 6.671 1.00 0.00 O ATOM 418 CB ASP A 27 -18.936 3.159 6.203 1.00 0.00 C ATOM 419 CG ASP A 27 -18.372 4.448 6.800 1.00 0.00 C ATOM 420 OD1 ASP A 27 -18.292 5.454 6.059 1.00 0.00 O ATOM 421 OD2 ASP A 27 -18.058 4.495 8.014 1.00 0.00 O ATOM 0 H ASP A 27 -19.421 1.066 4.937 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.429 3.175 4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.824 3.385 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.247 2.488 7.004 1.00 0.00 H new ATOM 426 N ALA A 28 -16.940 0.561 6.506 1.00 0.00 N ATOM 427 CA ALA A 28 -16.057 -0.249 7.334 1.00 0.00 C ATOM 428 C ALA A 28 -14.785 -0.612 6.564 1.00 0.00 C ATOM 429 O ALA A 28 -14.498 -1.782 6.297 1.00 0.00 O ATOM 430 CB ALA A 28 -16.814 -1.486 7.829 1.00 0.00 C ATOM 0 H ALA A 28 -17.712 0.013 6.127 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.743 0.321 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.154 -2.093 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.677 -1.173 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.150 -2.073 6.974 1.00 0.00 H new ATOM 436 N ILE A 29 -14.052 0.425 6.179 1.00 0.00 N ATOM 437 CA ILE A 29 -12.840 0.408 5.387 1.00 0.00 C ATOM 438 C ILE A 29 -11.782 1.289 6.034 1.00 0.00 C ATOM 439 O ILE A 29 -10.619 0.902 6.008 1.00 0.00 O ATOM 440 CB ILE A 29 -13.177 0.738 3.920 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.626 2.189 3.680 1.00 0.00 C ATOM 442 CG2 ILE A 29 -14.245 -0.194 3.347 1.00 0.00 C ATOM 443 CD1 ILE A 29 -12.392 3.009 3.346 1.00 0.00 C ATOM 0 H ILE A 29 -14.317 1.376 6.437 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.395 -0.587 5.362 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.229 0.591 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.347 2.235 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.121 2.587 4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.448 0.079 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.890 -1.224 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.160 -0.102 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.680 4.045 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.689 2.964 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.920 2.607 2.450 1.00 0.00 H new ATOM 455 N ASN A 30 -12.132 2.436 6.632 1.00 0.00 N ATOM 456 CA ASN A 30 -11.090 3.334 7.132 1.00 0.00 C ATOM 457 C ASN A 30 -10.308 2.673 8.243 1.00 0.00 C ATOM 458 O ASN A 30 -9.088 2.754 8.297 1.00 0.00 O ATOM 459 CB ASN A 30 -11.639 4.643 7.671 1.00 0.00 C ATOM 460 CG ASN A 30 -10.632 5.745 7.365 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.563 6.238 6.246 1.00 0.00 O ATOM 462 ND2 ASN A 30 -9.795 6.137 8.310 1.00 0.00 N ATOM 0 H ASN A 30 -13.091 2.753 6.777 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.453 3.550 6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.601 4.869 7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.808 4.570 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.093 6.849 8.107 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.851 5.728 9.243 1.00 0.00 H new ATOM 469 N GLU A 31 -11.057 2.067 9.152 1.00 0.00 N ATOM 470 CA GLU A 31 -10.491 1.314 10.258 1.00 0.00 C ATOM 471 C GLU A 31 -9.958 -0.027 9.752 1.00 0.00 C ATOM 472 O GLU A 31 -8.779 -0.317 9.942 1.00 0.00 O ATOM 473 CB GLU A 31 -11.541 1.138 11.358 1.00 0.00 C ATOM 474 CG GLU A 31 -11.890 2.458 12.061 1.00 0.00 C ATOM 475 CD GLU A 31 -10.730 2.962 12.920 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.851 3.699 12.412 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.687 2.621 14.121 1.00 0.00 O ATOM 0 H GLU A 31 -12.077 2.084 9.142 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.652 1.860 10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.446 0.711 10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.173 0.425 12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.146 3.211 11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.772 2.316 12.686 1.00 0.00 H new ATOM 484 N ASP A 32 -10.799 -0.820 9.073 1.00 0.00 N ATOM 485 CA ASP A 32 -10.514 -2.212 8.689 1.00 0.00 C ATOM 486 C ASP A 32 -9.200 -2.328 7.903 1.00 0.00 C ATOM 487 O ASP A 32 -8.461 -3.301 8.053 1.00 0.00 O ATOM 488 CB ASP A 32 -11.691 -2.797 7.875 1.00 0.00 C ATOM 489 CG ASP A 32 -12.355 -4.012 8.540 1.00 0.00 C ATOM 490 OD1 ASP A 32 -12.774 -3.889 9.716 1.00 0.00 O ATOM 491 OD2 ASP A 32 -12.507 -5.069 7.879 1.00 0.00 O ATOM 0 H ASP A 32 -11.720 -0.504 8.767 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.397 -2.791 9.605 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.441 -2.020 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.331 -3.086 6.887 1.00 0.00 H new ATOM 496 N PHE A 33 -8.880 -1.311 7.097 1.00 0.00 N ATOM 497 CA PHE A 33 -7.666 -1.226 6.299 1.00 0.00 C ATOM 498 C PHE A 33 -6.404 -1.135 7.150 1.00 0.00 C ATOM 499 O PHE A 33 -5.425 -1.825 6.867 1.00 0.00 O ATOM 500 CB PHE A 33 -7.785 -0.011 5.382 1.00 0.00 C ATOM 501 CG PHE A 33 -6.628 0.133 4.415 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.622 -0.609 3.222 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.550 0.988 4.715 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.556 -0.473 2.316 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.489 1.130 3.805 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.489 0.396 2.606 1.00 0.00 C ATOM 0 H PHE A 33 -9.485 -0.498 6.982 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.569 -2.143 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.714 -0.083 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.852 0.890 5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.436 -1.284 3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.539 1.535 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.556 -1.037 1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.674 1.803 4.027 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.671 0.499 1.909 1.00 0.00 H new ATOM 516 N TYR A 34 -6.406 -0.271 8.161 1.00 0.00 N ATOM 517 CA TYR A 34 -5.282 -0.123 9.088 1.00 0.00 C ATOM 518 C TYR A 34 -5.225 -1.343 10.016 1.00 0.00 C ATOM 519 O TYR A 34 -4.151 -1.807 10.409 1.00 0.00 O ATOM 520 CB TYR A 34 -5.420 1.165 9.916 1.00 0.00 C ATOM 521 CG TYR A 34 -5.184 2.476 9.171 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.032 2.849 8.113 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.164 3.365 9.572 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.914 4.097 7.484 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.021 4.615 8.941 1.00 0.00 C ATOM 526 CZ TYR A 34 -4.912 4.994 7.913 1.00 0.00 C ATOM 527 OH TYR A 34 -4.838 6.243 7.385 1.00 0.00 O ATOM 0 H TYR A 34 -7.189 0.350 8.363 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.358 -0.057 8.513 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.422 1.191 10.345 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.718 1.113 10.749 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.792 2.159 7.777 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.489 3.085 10.367 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.582 4.369 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.229 5.285 9.243 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.180 6.771 7.884 1.00 0.00 H new ATOM 537 N ASN A 35 -6.395 -1.868 10.375 1.00 0.00 N ATOM 538 CA ASN A 35 -6.551 -3.006 11.269 1.00 0.00 C ATOM 539 C ASN A 35 -6.041 -4.286 10.618 1.00 0.00 C ATOM 540 O ASN A 35 -5.650 -5.190 11.352 1.00 0.00 O ATOM 541 CB ASN A 35 -8.020 -3.166 11.695 1.00 0.00 C ATOM 542 CG ASN A 35 -8.535 -1.986 12.516 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.783 -1.087 12.883 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.808 -1.960 12.843 1.00 0.00 N ATOM 0 H ASN A 35 -7.285 -1.500 10.040 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.952 -2.817 12.160 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.640 -3.281 10.806 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.126 -4.081 12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.175 -1.191 13.404 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.429 -2.709 12.536 1.00 0.00 H new ATOM 551 N PHE A 36 -5.983 -4.385 9.276 1.00 0.00 N ATOM 552 CA PHE A 36 -5.493 -5.578 8.563 1.00 0.00 C ATOM 553 C PHE A 36 -4.099 -5.947 9.105 1.00 0.00 C ATOM 554 O PHE A 36 -3.730 -7.122 9.173 1.00 0.00 O ATOM 555 CB PHE A 36 -5.376 -5.263 7.053 1.00 0.00 C ATOM 556 CG PHE A 36 -4.540 -6.207 6.182 1.00 0.00 C ATOM 557 CD1 PHE A 36 -4.702 -7.603 6.248 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.599 -5.686 5.269 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.972 -8.451 5.391 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.860 -6.534 4.422 1.00 0.00 C ATOM 561 CZ PHE A 36 -3.059 -7.919 4.465 1.00 0.00 C ATOM 0 H PHE A 36 -6.277 -3.633 8.653 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.186 -6.406 8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.384 -5.233 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.960 -4.260 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.392 -8.029 6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.443 -4.619 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.116 -9.520 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.138 -6.115 3.737 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.518 -8.570 3.795 1.00 0.00 H new ATOM 571 N TRP A 37 -3.316 -4.919 9.458 1.00 0.00 N ATOM 572 CA TRP A 37 -1.936 -5.003 9.906 1.00 0.00 C ATOM 573 C TRP A 37 -1.797 -5.497 11.351 1.00 0.00 C ATOM 574 O TRP A 37 -0.693 -5.864 11.754 1.00 0.00 O ATOM 575 CB TRP A 37 -1.290 -3.610 9.788 1.00 0.00 C ATOM 576 CG TRP A 37 -1.572 -2.801 8.553 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.813 -3.298 7.319 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.684 -1.347 8.423 1.00 0.00 C ATOM 579 NE1 TRP A 37 -2.109 -2.267 6.453 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.045 -1.043 7.078 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.534 -0.253 9.303 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.283 0.268 6.640 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.745 1.071 8.870 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.138 1.333 7.545 1.00 0.00 C ATOM 0 H TRP A 37 -3.655 -3.957 9.434 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.435 -5.733 9.270 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.605 -3.022 10.650 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.210 -3.736 9.865 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.779 -4.344 7.052 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.346 -2.396 5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.252 -0.435 10.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.575 0.457 5.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.604 1.890 9.560 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.327 2.347 7.225 1.00 0.00 H new ATOM 595 N LYS A 38 -2.865 -5.446 12.154 1.00 0.00 N ATOM 596 CA LYS A 38 -2.796 -5.637 13.599 1.00 0.00 C ATOM 597 C LYS A 38 -2.557 -7.108 13.932 1.00 0.00 C ATOM 598 O LYS A 38 -3.024 -8.001 13.224 1.00 0.00 O ATOM 599 CB LYS A 38 -4.070 -5.067 14.256 1.00 0.00 C ATOM 600 CG LYS A 38 -4.087 -3.533 14.131 1.00 0.00 C ATOM 601 CD LYS A 38 -5.363 -2.905 14.709 1.00 0.00 C ATOM 602 CE LYS A 38 -5.198 -1.394 14.929 1.00 0.00 C ATOM 603 NZ LYS A 38 -6.476 -0.717 15.247 1.00 0.00 N ATOM 0 H LYS A 38 -3.809 -5.269 11.811 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.948 -5.089 14.009 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.955 -5.489 13.779 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.107 -5.355 15.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.219 -3.121 14.646 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.995 -3.257 13.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.198 -3.086 14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.610 -3.386 15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.491 -1.225 15.741 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.768 -0.946 14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.280 0.209 15.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.025 -0.584 14.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.021 -1.300 15.913 1.00 0.00 H new ATOM 617 N GLU A 39 -1.839 -7.374 15.024 1.00 0.00 N ATOM 618 CA GLU A 39 -1.643 -8.734 15.513 1.00 0.00 C ATOM 619 C GLU A 39 -2.980 -9.306 15.975 1.00 0.00 C ATOM 620 O GLU A 39 -3.819 -8.576 16.516 1.00 0.00 O ATOM 621 CB GLU A 39 -0.633 -8.777 16.671 1.00 0.00 C ATOM 622 CG GLU A 39 0.818 -8.927 16.206 1.00 0.00 C ATOM 623 CD GLU A 39 1.457 -7.597 15.823 1.00 0.00 C ATOM 624 OE1 GLU A 39 1.103 -7.031 14.766 1.00 0.00 O ATOM 625 OE2 GLU A 39 2.358 -7.144 16.560 1.00 0.00 O ATOM 0 H GLU A 39 -1.382 -6.658 15.588 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.242 -9.334 14.696 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.726 -7.864 17.259 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.883 -9.608 17.331 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.403 -9.390 17.000 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.852 -9.601 15.350 1.00 0.00 H new ATOM 632 N GLY A 40 -3.159 -10.617 15.821 1.00 0.00 N ATOM 633 CA GLY A 40 -4.379 -11.314 16.205 1.00 0.00 C ATOM 634 C GLY A 40 -5.571 -10.968 15.307 1.00 0.00 C ATOM 635 O GLY A 40 -6.700 -11.327 15.640 1.00 0.00 O ATOM 0 H GLY A 40 -2.449 -11.230 15.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.204 -12.389 16.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.624 -11.065 17.238 1.00 0.00 H new ATOM 639 N TYR A 41 -5.353 -10.270 14.190 1.00 0.00 N ATOM 640 CA TYR A 41 -6.343 -9.978 13.172 1.00 0.00 C ATOM 641 C TYR A 41 -5.917 -10.625 11.856 1.00 0.00 C ATOM 642 O TYR A 41 -4.725 -10.714 11.551 1.00 0.00 O ATOM 643 CB TYR A 41 -6.437 -8.470 13.000 1.00 0.00 C ATOM 644 CG TYR A 41 -7.575 -7.781 13.715 1.00 0.00 C ATOM 645 CD1 TYR A 41 -8.899 -7.946 13.268 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.285 -6.843 14.717 1.00 0.00 C ATOM 647 CE1 TYR A 41 -9.910 -7.103 13.758 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.282 -5.981 15.196 1.00 0.00 C ATOM 649 CZ TYR A 41 -9.607 -6.098 14.705 1.00 0.00 C ATOM 650 OH TYR A 41 -10.611 -5.269 15.107 1.00 0.00 O ATOM 0 H TYR A 41 -4.437 -9.879 13.968 1.00 0.00 H new ATOM 0 HA TYR A 41 -7.315 -10.374 13.466 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.501 -8.028 13.343 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.521 -8.252 11.935 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.137 -8.718 12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.286 -6.784 15.123 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.925 -7.223 13.409 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.042 -5.231 15.935 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.263 -4.627 15.760 1.00 0.00 H new ATOM 660 N GLU A 42 -6.892 -11.048 11.055 1.00 0.00 N ATOM 661 CA GLU A 42 -6.716 -11.675 9.769 1.00 0.00 C ATOM 662 C GLU A 42 -7.742 -11.056 8.817 1.00 0.00 C ATOM 663 O GLU A 42 -8.693 -11.725 8.409 1.00 0.00 O ATOM 664 CB GLU A 42 -6.908 -13.187 9.964 1.00 0.00 C ATOM 665 CG GLU A 42 -6.438 -13.943 8.732 1.00 0.00 C ATOM 666 CD GLU A 42 -6.628 -15.458 8.849 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.126 -16.060 9.831 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.290 -16.039 7.956 1.00 0.00 O ATOM 0 H GLU A 42 -7.875 -10.952 11.309 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.726 -11.519 9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.350 -13.521 10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.959 -13.405 10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.983 -13.581 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.383 -13.727 8.561 1.00 0.00 H new ATOM 675 N ILE A 43 -7.620 -9.758 8.508 1.00 0.00 N ATOM 676 CA ILE A 43 -8.514 -9.133 7.534 1.00 0.00 C ATOM 677 C ILE A 43 -8.018 -9.527 6.136 1.00 0.00 C ATOM 678 O ILE A 43 -7.294 -8.784 5.483 1.00 0.00 O ATOM 679 CB ILE A 43 -8.707 -7.615 7.749 1.00 0.00 C ATOM 680 CG1 ILE A 43 -9.147 -7.309 9.192 1.00 0.00 C ATOM 681 CG2 ILE A 43 -9.867 -7.135 6.867 1.00 0.00 C ATOM 682 CD1 ILE A 43 -8.142 -6.757 10.145 1.00 0.00 C ATOM 0 H ILE A 43 -6.923 -9.133 8.912 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.529 -9.507 7.667 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.759 -7.129 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.977 -6.604 9.142 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.538 -8.232 9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.014 -6.064 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.635 -7.333 5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.778 -7.666 7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.611 -6.598 11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.317 -7.461 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.763 -5.808 9.765 1.00 0.00 H new ATOM 694 N LYS A 44 -8.332 -10.740 5.681 1.00 0.00 N ATOM 695 CA LYS A 44 -7.766 -11.326 4.470 1.00 0.00 C ATOM 696 C LYS A 44 -8.900 -11.577 3.485 1.00 0.00 C ATOM 697 O LYS A 44 -9.070 -12.714 3.031 1.00 0.00 O ATOM 698 CB LYS A 44 -6.953 -12.587 4.829 1.00 0.00 C ATOM 699 CG LYS A 44 -5.648 -12.250 5.571 1.00 0.00 C ATOM 700 CD LYS A 44 -4.755 -13.482 5.800 1.00 0.00 C ATOM 701 CE LYS A 44 -3.914 -13.812 4.562 1.00 0.00 C ATOM 702 NZ LYS A 44 -3.126 -15.050 4.742 1.00 0.00 N ATOM 0 H LYS A 44 -8.998 -11.352 6.153 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.061 -10.650 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.562 -13.244 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.718 -13.137 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.093 -11.506 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.889 -11.798 6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.096 -13.301 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.377 -14.340 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.569 -13.921 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.241 -12.982 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.572 -15.237 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.482 -14.937 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.769 -15.848 4.920 1.00 0.00 H new ATOM 716 N ASN A 45 -9.673 -10.535 3.169 1.00 0.00 N ATOM 717 CA ASN A 45 -10.855 -10.645 2.315 1.00 0.00 C ATOM 718 C ASN A 45 -10.655 -9.870 1.008 1.00 0.00 C ATOM 719 O ASN A 45 -9.627 -9.229 0.782 1.00 0.00 O ATOM 720 CB ASN A 45 -12.127 -10.173 3.047 1.00 0.00 C ATOM 721 CG ASN A 45 -12.513 -8.738 2.756 1.00 0.00 C ATOM 722 OD1 ASN A 45 -11.735 -7.801 2.907 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.689 -8.585 2.182 1.00 0.00 N ATOM 0 H ASN A 45 -9.494 -9.587 3.501 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.990 -11.699 2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.956 -10.824 2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.978 -10.287 4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.977 -7.666 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.311 -9.386 2.073 1.00 0.00 H new ATOM 730 N ARG A 46 -11.671 -9.913 0.144 1.00 0.00 N ATOM 731 CA ARG A 46 -11.721 -9.215 -1.137 1.00 0.00 C ATOM 732 C ARG A 46 -11.534 -7.720 -0.928 1.00 0.00 C ATOM 733 O ARG A 46 -10.595 -7.148 -1.469 1.00 0.00 O ATOM 734 CB ARG A 46 -12.961 -9.507 -2.003 1.00 0.00 C ATOM 735 CG ARG A 46 -13.730 -10.725 -1.560 1.00 0.00 C ATOM 736 CD ARG A 46 -15.115 -10.914 -2.177 1.00 0.00 C ATOM 737 NE ARG A 46 -15.472 -10.002 -3.286 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.567 -9.230 -3.332 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.230 -8.964 -2.214 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.024 -8.766 -4.488 1.00 0.00 N ATOM 0 H ARG A 46 -12.514 -10.457 0.327 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.891 -9.619 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.623 -8.641 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.648 -9.641 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.132 -11.608 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.841 -10.684 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.190 -11.939 -2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.859 -10.800 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.833 -9.957 -4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.906 -9.346 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.064 -8.377 -2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.541 -8.996 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.858 -8.180 -4.508 1.00 0.00 H new ATOM 754 N GLU A 47 -12.406 -7.086 -0.144 1.00 0.00 N ATOM 755 CA GLU A 47 -12.455 -5.633 -0.017 1.00 0.00 C ATOM 756 C GLU A 47 -11.141 -5.040 0.485 1.00 0.00 C ATOM 757 O GLU A 47 -10.803 -3.926 0.086 1.00 0.00 O ATOM 758 CB GLU A 47 -13.622 -5.180 0.866 1.00 0.00 C ATOM 759 CG GLU A 47 -14.963 -5.376 0.153 1.00 0.00 C ATOM 760 CD GLU A 47 -15.515 -6.787 0.318 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.947 -7.113 1.440 1.00 0.00 O ATOM 762 OE2 GLU A 47 -15.475 -7.570 -0.658 1.00 0.00 O ATOM 0 H GLU A 47 -13.101 -7.571 0.423 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.618 -5.250 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.617 -5.745 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.497 -4.130 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.686 -4.659 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.841 -5.160 -0.908 1.00 0.00 H new ATOM 769 N THR A 48 -10.371 -5.773 1.287 1.00 0.00 N ATOM 770 CA THR A 48 -9.029 -5.370 1.700 1.00 0.00 C ATOM 771 C THR A 48 -8.160 -5.154 0.462 1.00 0.00 C ATOM 772 O THR A 48 -7.591 -4.080 0.255 1.00 0.00 O ATOM 773 CB THR A 48 -8.441 -6.436 2.637 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.369 -6.725 3.656 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.139 -5.976 3.302 1.00 0.00 C ATOM 0 H THR A 48 -10.664 -6.671 1.672 1.00 0.00 H new ATOM 0 HA THR A 48 -9.066 -4.429 2.249 1.00 0.00 H new ATOM 0 HB THR A 48 -8.227 -7.314 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.110 -7.249 3.285 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.765 -6.765 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.396 -5.756 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.329 -5.079 3.891 1.00 0.00 H new ATOM 783 N GLY A 49 -8.112 -6.158 -0.411 1.00 0.00 N ATOM 784 CA GLY A 49 -7.397 -6.068 -1.663 1.00 0.00 C ATOM 785 C GLY A 49 -8.024 -5.055 -2.610 1.00 0.00 C ATOM 786 O GLY A 49 -7.289 -4.470 -3.396 1.00 0.00 O ATOM 0 H GLY A 49 -8.572 -7.056 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.361 -5.789 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.379 -7.047 -2.141 1.00 0.00 H new ATOM 790 N CYS A 50 -9.338 -4.802 -2.549 1.00 0.00 N ATOM 791 CA CYS A 50 -9.945 -3.740 -3.330 1.00 0.00 C ATOM 792 C CYS A 50 -9.449 -2.376 -2.858 1.00 0.00 C ATOM 793 O CYS A 50 -9.155 -1.531 -3.699 1.00 0.00 O ATOM 794 CB CYS A 50 -11.470 -3.758 -3.252 1.00 0.00 C ATOM 795 SG CYS A 50 -12.360 -5.239 -3.810 1.00 0.00 S ATOM 0 H CYS A 50 -9.992 -5.323 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.651 -3.913 -4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.749 -3.578 -2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.840 -2.913 -3.833 1.00 0.00 H new ATOM 800 N ALA A 51 -9.346 -2.144 -1.539 1.00 0.00 N ATOM 801 CA ALA A 51 -8.813 -0.888 -1.032 1.00 0.00 C ATOM 802 C ALA A 51 -7.385 -0.738 -1.532 1.00 0.00 C ATOM 803 O ALA A 51 -7.088 0.297 -2.109 1.00 0.00 O ATOM 804 CB ALA A 51 -8.895 -0.743 0.502 1.00 0.00 C ATOM 0 H ALA A 51 -9.624 -2.809 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.439 -0.081 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.478 0.219 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.937 -0.800 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.328 -1.546 0.974 1.00 0.00 H new ATOM 810 N ILE A 52 -6.527 -1.752 -1.372 1.00 0.00 N ATOM 811 CA ILE A 52 -5.160 -1.738 -1.895 1.00 0.00 C ATOM 812 C ILE A 52 -5.191 -1.384 -3.394 1.00 0.00 C ATOM 813 O ILE A 52 -4.539 -0.435 -3.809 1.00 0.00 O ATOM 814 CB ILE A 52 -4.460 -3.078 -1.562 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.301 -3.213 -0.027 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.083 -3.200 -2.237 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.790 -4.577 0.437 1.00 0.00 C ATOM 0 H ILE A 52 -6.765 -2.609 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.559 -0.965 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.087 -3.881 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.614 -2.443 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.265 -3.020 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.632 -4.157 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.202 -3.141 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.438 -2.389 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.708 -4.584 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.486 -5.353 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.811 -4.767 -0.002 1.00 0.00 H new ATOM 829 N MET A 53 -5.983 -2.090 -4.197 1.00 0.00 N ATOM 830 CA MET A 53 -6.085 -1.908 -5.641 1.00 0.00 C ATOM 831 C MET A 53 -6.495 -0.475 -6.018 1.00 0.00 C ATOM 832 O MET A 53 -5.823 0.159 -6.828 1.00 0.00 O ATOM 833 CB MET A 53 -7.054 -2.973 -6.170 1.00 0.00 C ATOM 834 CG MET A 53 -7.249 -2.959 -7.681 1.00 0.00 C ATOM 835 SD MET A 53 -8.831 -2.249 -8.225 1.00 0.00 S ATOM 836 CE MET A 53 -10.013 -3.441 -7.532 1.00 0.00 C ATOM 0 H MET A 53 -6.592 -2.830 -3.847 1.00 0.00 H new ATOM 0 HA MET A 53 -5.111 -2.041 -6.111 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.690 -3.956 -5.873 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.023 -2.834 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.435 -2.394 -8.135 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.175 -3.980 -8.055 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.970 -3.345 -8.045 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.630 -4.453 -7.665 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.150 -3.242 -6.469 1.00 0.00 H new ATOM 846 N CYS A 54 -7.557 0.086 -5.432 1.00 0.00 N ATOM 847 CA CYS A 54 -7.952 1.472 -5.703 1.00 0.00 C ATOM 848 C CYS A 54 -6.885 2.452 -5.202 1.00 0.00 C ATOM 849 O CYS A 54 -6.598 3.469 -5.832 1.00 0.00 O ATOM 850 CB CYS A 54 -9.319 1.744 -5.071 1.00 0.00 C ATOM 851 SG CYS A 54 -9.989 3.412 -5.321 1.00 0.00 S ATOM 0 H CYS A 54 -8.159 -0.399 -4.766 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.036 1.621 -6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.032 1.023 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.246 1.560 -3.999 1.00 0.00 H new ATOM 856 N LEU A 55 -6.252 2.147 -4.074 1.00 0.00 N ATOM 857 CA LEU A 55 -5.180 2.965 -3.530 1.00 0.00 C ATOM 858 C LEU A 55 -3.934 2.942 -4.409 1.00 0.00 C ATOM 859 O LEU A 55 -3.150 3.891 -4.323 1.00 0.00 O ATOM 860 CB LEU A 55 -4.898 2.542 -2.082 1.00 0.00 C ATOM 861 CG LEU A 55 -6.039 2.965 -1.134 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.831 2.295 0.223 1.00 0.00 C ATOM 863 CD2 LEU A 55 -6.152 4.476 -0.952 1.00 0.00 C ATOM 0 H LEU A 55 -6.470 1.324 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.502 4.006 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.769 1.461 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.962 2.989 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.974 2.642 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.633 2.588 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.838 1.212 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.873 2.606 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.975 4.700 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.222 4.863 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.340 4.946 -1.917 1.00 0.00 H new ATOM 875 N SER A 56 -3.776 1.962 -5.306 1.00 0.00 N ATOM 876 CA SER A 56 -2.674 1.948 -6.260 1.00 0.00 C ATOM 877 C SER A 56 -2.842 3.080 -7.299 1.00 0.00 C ATOM 878 O SER A 56 -1.904 3.388 -8.025 1.00 0.00 O ATOM 879 CB SER A 56 -2.445 0.508 -6.800 1.00 0.00 C ATOM 880 OG SER A 56 -2.957 0.189 -8.073 1.00 0.00 O ATOM 0 H SER A 56 -4.406 1.164 -5.387 1.00 0.00 H new ATOM 0 HA SER A 56 -1.727 2.191 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.371 0.325 -6.817 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.876 -0.190 -6.082 1.00 0.00 H new ATOM 0 HG SER A 56 -3.933 0.115 -8.024 1.00 0.00 H new ATOM 886 N THR A 57 -3.987 3.781 -7.323 1.00 0.00 N ATOM 887 CA THR A 57 -4.279 4.918 -8.199 1.00 0.00 C ATOM 888 C THR A 57 -4.756 6.124 -7.357 1.00 0.00 C ATOM 889 O THR A 57 -5.701 6.852 -7.685 1.00 0.00 O ATOM 890 CB THR A 57 -5.185 4.439 -9.355 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.492 5.463 -10.281 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.488 3.809 -8.858 1.00 0.00 C ATOM 0 H THR A 57 -4.766 3.558 -6.704 1.00 0.00 H new ATOM 0 HA THR A 57 -3.394 5.308 -8.701 1.00 0.00 H new ATOM 0 HB THR A 57 -4.596 3.678 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.708 6.288 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.087 3.490 -9.711 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.259 2.946 -8.232 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.047 4.541 -8.276 1.00 0.00 H new ATOM 900 N LYS A 58 -4.116 6.305 -6.196 1.00 0.00 N ATOM 901 CA LYS A 58 -4.262 7.445 -5.286 1.00 0.00 C ATOM 902 C LYS A 58 -2.909 7.974 -4.779 1.00 0.00 C ATOM 903 O LYS A 58 -2.871 8.646 -3.749 1.00 0.00 O ATOM 904 CB LYS A 58 -5.183 7.010 -4.133 1.00 0.00 C ATOM 905 CG LYS A 58 -6.650 6.928 -4.530 1.00 0.00 C ATOM 906 CD LYS A 58 -7.368 8.249 -4.639 1.00 0.00 C ATOM 907 CE LYS A 58 -8.727 7.979 -5.277 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.625 7.649 -6.723 1.00 0.00 N ATOM 0 H LYS A 58 -3.445 5.621 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.707 8.283 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.858 6.036 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.076 7.714 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.721 6.416 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.172 6.310 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.489 8.702 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.793 8.950 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.213 7.155 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.363 8.855 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.293 6.886 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.853 8.492 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.657 7.338 -6.941 1.00 0.00 H new ATOM 922 N LEU A 59 -1.783 7.691 -5.439 1.00 0.00 N ATOM 923 CA LEU A 59 -0.445 8.103 -4.968 1.00 0.00 C ATOM 924 C LEU A 59 -0.370 9.618 -4.776 1.00 0.00 C ATOM 925 O LEU A 59 0.206 10.096 -3.805 1.00 0.00 O ATOM 926 CB LEU A 59 0.631 7.688 -5.993 1.00 0.00 C ATOM 927 CG LEU A 59 0.600 6.222 -6.464 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.636 6.023 -7.576 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.839 5.226 -5.326 1.00 0.00 C ATOM 0 H LEU A 59 -1.766 7.170 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.267 7.609 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.534 8.330 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.611 7.887 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.401 6.020 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.616 4.986 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.401 6.679 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.629 6.262 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.806 4.210 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.816 5.411 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.065 5.347 -4.568 1.00 0.00 H new ATOM 941 N ASN A 60 -1.013 10.369 -5.664 1.00 0.00 N ATOM 942 CA ASN A 60 -1.150 11.824 -5.652 1.00 0.00 C ATOM 943 C ASN A 60 -1.879 12.375 -4.424 1.00 0.00 C ATOM 944 O ASN A 60 -1.722 13.544 -4.075 1.00 0.00 O ATOM 945 CB ASN A 60 -1.957 12.219 -6.900 1.00 0.00 C ATOM 946 CG ASN A 60 -3.403 11.717 -6.815 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.662 10.574 -6.440 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.373 12.560 -7.084 1.00 0.00 N ATOM 0 H ASN A 60 -1.485 9.950 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.144 12.244 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.953 13.304 -7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.479 11.807 -7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.345 12.268 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.154 13.507 -7.395 1.00 0.00 H new ATOM 955 N MET A 61 -2.719 11.567 -3.789 1.00 0.00 N ATOM 956 CA MET A 61 -3.492 11.942 -2.617 1.00 0.00 C ATOM 957 C MET A 61 -2.676 11.668 -1.356 1.00 0.00 C ATOM 958 O MET A 61 -2.781 12.389 -0.361 1.00 0.00 O ATOM 959 CB MET A 61 -4.779 11.109 -2.632 1.00 0.00 C ATOM 960 CG MET A 61 -5.740 11.570 -3.725 1.00 0.00 C ATOM 961 SD MET A 61 -6.552 13.156 -3.377 1.00 0.00 S ATOM 962 CE MET A 61 -7.587 12.663 -1.969 1.00 0.00 C ATOM 0 H MET A 61 -2.884 10.605 -4.086 1.00 0.00 H new ATOM 0 HA MET A 61 -3.738 13.004 -2.627 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.531 10.059 -2.786 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.270 11.182 -1.662 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.193 11.653 -4.664 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.504 10.806 -3.868 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.379 13.398 -1.824 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.030 11.687 -2.167 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.975 12.607 -1.069 1.00 0.00 H new ATOM 972 N LEU A 62 -1.885 10.598 -1.381 1.00 0.00 N ATOM 973 CA LEU A 62 -0.968 10.216 -0.329 1.00 0.00 C ATOM 974 C LEU A 62 0.176 11.196 -0.236 1.00 0.00 C ATOM 975 O LEU A 62 0.439 11.712 0.849 1.00 0.00 O ATOM 976 CB LEU A 62 -0.428 8.818 -0.640 1.00 0.00 C ATOM 977 CG LEU A 62 -1.482 7.729 -0.796 1.00 0.00 C ATOM 978 CD1 LEU A 62 -0.795 6.519 -1.421 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.132 7.388 0.545 1.00 0.00 C ATOM 0 H LEU A 62 -1.871 9.952 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.493 10.216 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.156 8.869 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.256 8.526 0.157 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.293 8.070 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.520 5.715 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.384 6.795 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.010 6.181 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.879 6.608 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.370 7.035 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.611 8.278 0.954 1.00 0.00 H new ATOM 991 N ASP A 63 0.844 11.417 -1.364 1.00 0.00 N ATOM 992 CA ASP A 63 2.024 12.263 -1.459 1.00 0.00 C ATOM 993 C ASP A 63 1.687 13.517 -2.271 1.00 0.00 C ATOM 994 O ASP A 63 1.825 13.524 -3.497 1.00 0.00 O ATOM 995 CB ASP A 63 3.246 11.539 -2.027 1.00 0.00 C ATOM 996 CG ASP A 63 4.438 12.462 -1.797 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.939 12.508 -0.654 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.811 13.220 -2.713 1.00 0.00 O ATOM 0 H ASP A 63 0.572 11.003 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 63 2.305 12.549 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.395 10.580 -1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.115 11.331 -3.089 1.00 0.00 H new ATOM 1003 N PRO A 64 1.202 14.585 -1.615 1.00 0.00 N ATOM 1004 CA PRO A 64 0.823 15.816 -2.296 1.00 0.00 C ATOM 1005 C PRO A 64 2.037 16.545 -2.870 1.00 0.00 C ATOM 1006 O PRO A 64 1.936 17.223 -3.892 1.00 0.00 O ATOM 1007 CB PRO A 64 0.145 16.675 -1.230 1.00 0.00 C ATOM 1008 CG PRO A 64 0.752 16.168 0.074 1.00 0.00 C ATOM 1009 CD PRO A 64 0.935 14.685 -0.191 1.00 0.00 C ATOM 0 HA PRO A 64 0.168 15.608 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.347 17.736 -1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.938 16.551 -1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.700 16.659 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.093 16.348 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.760 14.279 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.043 14.122 0.083 1.00 0.00 H new ATOM 1017 N GLU A 65 3.206 16.388 -2.247 1.00 0.00 N ATOM 1018 CA GLU A 65 4.432 16.999 -2.740 1.00 0.00 C ATOM 1019 C GLU A 65 4.774 16.502 -4.151 1.00 0.00 C ATOM 1020 O GLU A 65 5.401 17.245 -4.904 1.00 0.00 O ATOM 1021 CB GLU A 65 5.600 16.736 -1.784 1.00 0.00 C ATOM 1022 CG GLU A 65 5.502 17.497 -0.461 1.00 0.00 C ATOM 1023 CD GLU A 65 6.848 17.465 0.270 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.367 16.357 0.533 1.00 0.00 O ATOM 1025 OE2 GLU A 65 7.432 18.550 0.509 1.00 0.00 O ATOM 0 H GLU A 65 3.325 15.839 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 65 4.264 18.075 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.651 15.668 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.531 17.009 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.206 18.529 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.729 17.053 0.166 1.00 0.00 H new ATOM 1032 N GLY A 66 4.328 15.301 -4.527 1.00 0.00 N ATOM 1033 CA GLY A 66 4.492 14.715 -5.843 1.00 0.00 C ATOM 1034 C GLY A 66 5.851 14.042 -6.008 1.00 0.00 C ATOM 1035 O GLY A 66 6.516 14.255 -7.023 1.00 0.00 O ATOM 0 H GLY A 66 3.821 14.690 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.703 13.983 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.378 15.490 -6.601 1.00 0.00 H new ATOM 1039 N ASN A 67 6.263 13.249 -5.017 1.00 0.00 N ATOM 1040 CA ASN A 67 7.511 12.486 -4.935 1.00 0.00 C ATOM 1041 C ASN A 67 7.301 10.990 -5.163 1.00 0.00 C ATOM 1042 O ASN A 67 8.273 10.249 -5.308 1.00 0.00 O ATOM 1043 CB ASN A 67 8.119 12.637 -3.538 1.00 0.00 C ATOM 1044 CG ASN A 67 8.754 13.995 -3.381 1.00 0.00 C ATOM 1045 OD1 ASN A 67 9.944 14.189 -3.615 1.00 0.00 O ATOM 1046 ND2 ASN A 67 7.951 14.984 -3.069 1.00 0.00 N ATOM 0 H ASN A 67 5.688 13.113 -4.186 1.00 0.00 H new ATOM 0 HA ASN A 67 8.163 12.882 -5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.346 12.501 -2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.865 11.859 -3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.312 15.937 -3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.966 14.800 -2.878 1.00 0.00 H new ATOM 1053 N LEU A 68 6.050 10.531 -5.137 1.00 0.00 N ATOM 1054 CA LEU A 68 5.671 9.139 -5.323 1.00 0.00 C ATOM 1055 C LEU A 68 4.983 9.041 -6.680 1.00 0.00 C ATOM 1056 O LEU A 68 4.032 9.783 -6.936 1.00 0.00 O ATOM 1057 CB LEU A 68 4.763 8.734 -4.154 1.00 0.00 C ATOM 1058 CG LEU A 68 4.317 7.265 -4.171 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.495 6.290 -4.170 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.463 7.009 -2.928 1.00 0.00 C ATOM 0 H LEU A 68 5.249 11.142 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 68 6.521 8.456 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.287 8.930 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.877 9.369 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 68 3.756 7.096 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.120 5.267 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.110 6.462 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.095 6.446 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.135 5.970 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.053 7.210 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.592 7.664 -2.944 1.00 0.00 H new ATOM 1072 N HIS A 69 5.497 8.201 -7.572 1.00 0.00 N ATOM 1073 CA HIS A 69 5.124 8.105 -8.979 1.00 0.00 C ATOM 1074 C HIS A 69 4.804 6.640 -9.273 1.00 0.00 C ATOM 1075 O HIS A 69 5.276 5.745 -8.572 1.00 0.00 O ATOM 1076 CB HIS A 69 6.290 8.602 -9.859 1.00 0.00 C ATOM 1077 CG HIS A 69 6.841 9.955 -9.453 1.00 0.00 C ATOM 1078 ND1 HIS A 69 6.508 11.187 -9.981 1.00 0.00 N ATOM 1079 CD2 HIS A 69 7.760 10.172 -8.461 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.218 12.120 -9.324 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.986 11.550 -8.384 1.00 0.00 N ATOM 0 H HIS A 69 6.225 7.532 -7.319 1.00 0.00 H new ATOM 0 HA HIS A 69 4.254 8.724 -9.198 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.096 7.869 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.952 8.655 -10.894 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.226 9.415 -7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.176 13.180 -9.525 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.614 12.029 -7.738 1.00 0.00 H new ATOM 1089 N HIS A 70 4.032 6.386 -10.325 1.00 0.00 N ATOM 1090 CA HIS A 70 3.675 5.036 -10.749 1.00 0.00 C ATOM 1091 C HIS A 70 4.920 4.446 -11.396 1.00 0.00 C ATOM 1092 O HIS A 70 5.306 4.854 -12.495 1.00 0.00 O ATOM 1093 CB HIS A 70 2.447 5.094 -11.668 1.00 0.00 C ATOM 1094 CG HIS A 70 1.874 3.796 -12.191 1.00 0.00 C ATOM 1095 ND1 HIS A 70 0.633 3.663 -12.776 1.00 0.00 N ATOM 1096 CD2 HIS A 70 2.420 2.545 -12.114 1.00 0.00 C ATOM 1097 CE1 HIS A 70 0.438 2.362 -13.041 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.507 1.641 -12.669 1.00 0.00 N ATOM 0 H HIS A 70 3.633 7.118 -10.913 1.00 0.00 H new ATOM 0 HA HIS A 70 3.379 4.388 -9.924 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.654 5.613 -11.129 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.705 5.712 -12.528 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.386 2.298 -11.698 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.454 1.952 -13.491 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.630 0.634 -12.771 1.00 0.00 H new ATOM 1106 N GLY A 71 5.563 3.521 -10.692 1.00 0.00 N ATOM 1107 CA GLY A 71 6.844 2.946 -11.075 1.00 0.00 C ATOM 1108 C GLY A 71 8.050 3.781 -10.635 1.00 0.00 C ATOM 1109 O GLY A 71 9.161 3.512 -11.097 1.00 0.00 O ATOM 0 H GLY A 71 5.198 3.142 -9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.928 1.948 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.870 2.829 -12.158 1.00 0.00 H new ATOM 1113 N ASN A 72 7.887 4.788 -9.764 1.00 0.00 N ATOM 1114 CA ASN A 72 9.032 5.412 -9.109 1.00 0.00 C ATOM 1115 C ASN A 72 8.670 5.863 -7.708 1.00 0.00 C ATOM 1116 O ASN A 72 7.995 6.877 -7.523 1.00 0.00 O ATOM 1117 CB ASN A 72 9.626 6.601 -9.879 1.00 0.00 C ATOM 1118 CG ASN A 72 11.105 6.739 -9.528 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.552 6.404 -8.432 1.00 0.00 O ATOM 1120 ND2 ASN A 72 11.878 7.248 -10.463 1.00 0.00 N ATOM 0 H ASN A 72 6.982 5.180 -9.503 1.00 0.00 H new ATOM 0 HA ASN A 72 9.798 4.637 -9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.507 6.450 -10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.093 7.517 -9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.875 7.373 -10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.480 7.517 -11.363 1.00 0.00 H new ATOM 1127 N ALA A 73 9.145 5.127 -6.719 1.00 0.00 N ATOM 1128 CA ALA A 73 9.053 5.495 -5.326 1.00 0.00 C ATOM 1129 C ALA A 73 10.447 5.673 -4.721 1.00 0.00 C ATOM 1130 O ALA A 73 10.522 5.859 -3.515 1.00 0.00 O ATOM 1131 CB ALA A 73 8.231 4.431 -4.591 1.00 0.00 C ATOM 0 H ALA A 73 9.616 4.235 -6.871 1.00 0.00 H new ATOM 0 HA ALA A 73 8.548 6.455 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.153 4.696 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.233 4.377 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.721 3.462 -4.686 1.00 0.00 H new ATOM 1137 N MET A 74 11.553 5.664 -5.478 1.00 0.00 N ATOM 1138 CA MET A 74 12.885 5.507 -4.902 1.00 0.00 C ATOM 1139 C MET A 74 13.342 6.784 -4.201 1.00 0.00 C ATOM 1140 O MET A 74 14.047 6.746 -3.195 1.00 0.00 O ATOM 1141 CB MET A 74 13.889 5.136 -5.996 1.00 0.00 C ATOM 1142 CG MET A 74 13.693 3.725 -6.545 1.00 0.00 C ATOM 1143 SD MET A 74 15.076 3.187 -7.584 1.00 0.00 S ATOM 1144 CE MET A 74 14.716 1.413 -7.638 1.00 0.00 C ATOM 0 H MET A 74 11.545 5.764 -6.493 1.00 0.00 H new ATOM 0 HA MET A 74 12.836 4.708 -4.162 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.805 5.851 -6.814 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.899 5.226 -5.597 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.574 3.029 -5.715 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.771 3.689 -7.126 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.238 0.961 -8.482 1.00 0.00 H new ATOM 0 HE2 MET A 74 15.051 0.945 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.643 1.263 -7.753 1.00 0.00 H new ATOM 1154 N GLU A 75 12.932 7.943 -4.708 1.00 0.00 N ATOM 1155 CA GLU A 75 13.230 9.212 -4.043 1.00 0.00 C ATOM 1156 C GLU A 75 12.454 9.285 -2.729 1.00 0.00 C ATOM 1157 O GLU A 75 13.019 9.621 -1.692 1.00 0.00 O ATOM 1158 CB GLU A 75 12.852 10.381 -4.968 1.00 0.00 C ATOM 1159 CG GLU A 75 13.919 10.712 -6.023 1.00 0.00 C ATOM 1160 CD GLU A 75 15.001 11.679 -5.523 1.00 0.00 C ATOM 1161 OE1 GLU A 75 15.595 11.455 -4.442 1.00 0.00 O ATOM 1162 OE2 GLU A 75 15.309 12.661 -6.246 1.00 0.00 O ATOM 0 H GLU A 75 12.396 8.032 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 75 14.296 9.278 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.917 10.143 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.669 11.267 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.394 9.787 -6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.432 11.146 -6.896 1.00 0.00 H new ATOM 1169 N PHE A 76 11.171 8.925 -2.767 1.00 0.00 N ATOM 1170 CA PHE A 76 10.301 8.790 -1.609 1.00 0.00 C ATOM 1171 C PHE A 76 10.873 7.774 -0.603 1.00 0.00 C ATOM 1172 O PHE A 76 10.893 8.044 0.597 1.00 0.00 O ATOM 1173 CB PHE A 76 8.900 8.438 -2.134 1.00 0.00 C ATOM 1174 CG PHE A 76 7.965 7.835 -1.116 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.176 8.669 -0.308 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.886 6.437 -0.980 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.304 8.101 0.635 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.995 5.871 -0.055 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.197 6.702 0.747 1.00 0.00 C ATOM 0 H PHE A 76 10.694 8.712 -3.643 1.00 0.00 H new ATOM 0 HA PHE A 76 10.233 9.719 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.442 9.343 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.006 7.740 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.239 9.742 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.511 5.799 -1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.714 8.739 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.923 4.798 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.501 6.268 1.450 1.00 0.00 H new ATOM 1189 N ALA A 77 11.393 6.642 -1.077 1.00 0.00 N ATOM 1190 CA ALA A 77 12.039 5.604 -0.291 1.00 0.00 C ATOM 1191 C ALA A 77 13.247 6.195 0.436 1.00 0.00 C ATOM 1192 O ALA A 77 13.371 6.027 1.656 1.00 0.00 O ATOM 1193 CB ALA A 77 12.415 4.428 -1.204 1.00 0.00 C ATOM 0 H ALA A 77 11.371 6.418 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 77 11.359 5.218 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.899 3.650 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.515 4.025 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.098 4.774 -1.980 1.00 0.00 H new ATOM 1199 N LYS A 78 14.083 6.978 -0.263 1.00 0.00 N ATOM 1200 CA LYS A 78 15.220 7.646 0.365 1.00 0.00 C ATOM 1201 C LYS A 78 14.787 8.622 1.451 1.00 0.00 C ATOM 1202 O LYS A 78 15.569 8.869 2.370 1.00 0.00 O ATOM 1203 CB LYS A 78 16.120 8.305 -0.697 1.00 0.00 C ATOM 1204 CG LYS A 78 17.133 7.269 -1.217 1.00 0.00 C ATOM 1205 CD LYS A 78 18.272 7.857 -2.063 1.00 0.00 C ATOM 1206 CE LYS A 78 17.770 8.378 -3.413 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.583 9.845 -3.470 1.00 0.00 N ATOM 0 H LYS A 78 13.988 7.160 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 78 15.815 6.885 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.514 8.683 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.644 9.159 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.565 6.743 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.601 6.527 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.749 8.669 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.033 7.094 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.477 8.084 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.822 7.894 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.682 10.062 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.569 10.231 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.366 10.274 -4.003 1.00 0.00 H new ATOM 1221 N LYS A 79 13.560 9.148 1.438 1.00 0.00 N ATOM 1222 CA LYS A 79 13.080 9.979 2.549 1.00 0.00 C ATOM 1223 C LYS A 79 12.930 9.185 3.836 1.00 0.00 C ATOM 1224 O LYS A 79 13.047 9.765 4.919 1.00 0.00 O ATOM 1225 CB LYS A 79 11.775 10.701 2.232 1.00 0.00 C ATOM 1226 CG LYS A 79 11.907 11.445 0.905 1.00 0.00 C ATOM 1227 CD LYS A 79 10.765 12.426 0.730 1.00 0.00 C ATOM 1228 CE LYS A 79 10.810 13.023 -0.680 1.00 0.00 C ATOM 1229 NZ LYS A 79 11.865 14.049 -0.816 1.00 0.00 N ATOM 0 H LYS A 79 12.887 9.017 0.682 1.00 0.00 H new ATOM 0 HA LYS A 79 13.852 10.735 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.956 9.984 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.533 11.402 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.858 11.976 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.911 10.732 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.812 11.922 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.837 13.219 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.983 12.227 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.842 13.465 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.860 14.426 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.687 14.822 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.792 13.622 -0.616 1.00 0.00 H new ATOM 1243 N HIS A 80 12.678 7.882 3.733 1.00 0.00 N ATOM 1244 CA HIS A 80 12.469 6.986 4.854 1.00 0.00 C ATOM 1245 C HIS A 80 13.722 6.159 5.143 1.00 0.00 C ATOM 1246 O HIS A 80 13.753 5.386 6.100 1.00 0.00 O ATOM 1247 CB HIS A 80 11.263 6.113 4.506 1.00 0.00 C ATOM 1248 CG HIS A 80 9.981 6.893 4.309 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.599 8.012 5.001 1.00 0.00 N flip ATOM 1250 CD2 HIS A 80 8.978 6.604 3.409 1.00 0.00 C flip ATOM 1251 CE1 HIS A 80 8.324 8.379 4.555 1.00 0.00 C flip ATOM 1252 NE2 HIS A 80 8.003 7.512 3.583 1.00 0.00 N flip ATOM 0 H HIS A 80 12.613 7.410 2.831 1.00 0.00 H new ATOM 0 HA HIS A 80 12.272 7.543 5.770 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.481 5.555 3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.114 5.382 5.301 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.976 5.795 2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.720 9.196 4.920 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.135 7.539 3.048 1.00 0.00 H new ATOM 1260 N GLY A 81 14.778 6.348 4.348 1.00 0.00 N ATOM 1261 CA GLY A 81 16.052 5.667 4.511 1.00 0.00 C ATOM 1262 C GLY A 81 16.165 4.347 3.761 1.00 0.00 C ATOM 1263 O GLY A 81 17.173 3.662 3.941 1.00 0.00 O ATOM 0 H GLY A 81 14.765 6.993 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.849 6.330 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.217 5.482 5.572 1.00 0.00 H new ATOM 1267 N ALA A 82 15.197 3.998 2.913 1.00 0.00 N ATOM 1268 CA ALA A 82 15.370 2.911 1.954 1.00 0.00 C ATOM 1269 C ALA A 82 16.134 3.468 0.751 1.00 0.00 C ATOM 1270 O ALA A 82 15.684 4.443 0.161 1.00 0.00 O ATOM 1271 CB ALA A 82 14.013 2.326 1.554 1.00 0.00 C ATOM 0 H ALA A 82 14.285 4.454 2.872 1.00 0.00 H new ATOM 0 HA ALA A 82 15.940 2.092 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.162 1.517 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.508 1.939 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.401 3.105 1.099 1.00 0.00 H new ATOM 1277 N ASP A 83 17.305 2.913 0.429 1.00 0.00 N ATOM 1278 CA ASP A 83 18.077 3.312 -0.740 1.00 0.00 C ATOM 1279 C ASP A 83 17.492 2.609 -1.976 1.00 0.00 C ATOM 1280 O ASP A 83 16.460 1.937 -1.939 1.00 0.00 O ATOM 1281 CB ASP A 83 19.557 2.910 -0.607 1.00 0.00 C ATOM 1282 CG ASP A 83 19.797 1.472 -0.169 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.502 0.577 -0.986 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.353 1.254 0.931 1.00 0.00 O ATOM 0 H ASP A 83 17.742 2.172 0.977 1.00 0.00 H new ATOM 0 HA ASP A 83 18.021 4.397 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.048 3.068 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.036 3.577 0.110 1.00 0.00 H new ATOM 1289 N GLU A 84 18.193 2.740 -3.096 1.00 0.00 N ATOM 1290 CA GLU A 84 17.801 2.250 -4.398 1.00 0.00 C ATOM 1291 C GLU A 84 17.775 0.721 -4.406 1.00 0.00 C ATOM 1292 O GLU A 84 16.927 0.121 -5.063 1.00 0.00 O ATOM 1293 CB GLU A 84 18.812 2.735 -5.440 1.00 0.00 C ATOM 1294 CG GLU A 84 19.296 4.177 -5.271 1.00 0.00 C ATOM 1295 CD GLU A 84 18.198 5.234 -5.380 1.00 0.00 C ATOM 1296 OE1 GLU A 84 17.463 5.477 -4.407 1.00 0.00 O ATOM 1297 OE2 GLU A 84 18.140 5.935 -6.419 1.00 0.00 O ATOM 0 H GLU A 84 19.095 3.216 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 84 16.805 2.625 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.679 2.074 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.364 2.635 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.779 4.273 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.056 4.382 -6.025 1.00 0.00 H new ATOM 1304 N THR A 85 18.727 0.083 -3.717 1.00 0.00 N ATOM 1305 CA THR A 85 18.847 -1.371 -3.644 1.00 0.00 C ATOM 1306 C THR A 85 17.763 -1.939 -2.721 1.00 0.00 C ATOM 1307 O THR A 85 17.238 -3.027 -2.965 1.00 0.00 O ATOM 1308 CB THR A 85 20.255 -1.752 -3.143 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.258 -1.121 -3.927 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.508 -3.263 -3.205 1.00 0.00 C ATOM 0 H THR A 85 19.447 0.574 -3.186 1.00 0.00 H new ATOM 0 HA THR A 85 18.707 -1.799 -4.637 1.00 0.00 H new ATOM 0 HB THR A 85 20.303 -1.419 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.143 -1.375 -3.591 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.513 -3.479 -2.842 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.778 -3.780 -2.582 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.413 -3.606 -4.235 1.00 0.00 H new ATOM 1318 N MET A 86 17.423 -1.220 -1.655 1.00 0.00 N ATOM 1319 CA MET A 86 16.329 -1.526 -0.758 1.00 0.00 C ATOM 1320 C MET A 86 15.004 -1.460 -1.502 1.00 0.00 C ATOM 1321 O MET A 86 14.243 -2.419 -1.439 1.00 0.00 O ATOM 1322 CB MET A 86 16.397 -0.539 0.409 1.00 0.00 C ATOM 1323 CG MET A 86 17.456 -0.939 1.438 1.00 0.00 C ATOM 1324 SD MET A 86 17.531 0.174 2.863 1.00 0.00 S ATOM 1325 CE MET A 86 18.730 -0.718 3.859 1.00 0.00 C ATOM 0 H MET A 86 17.927 -0.375 -1.388 1.00 0.00 H new ATOM 0 HA MET A 86 16.409 -2.541 -0.368 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.620 0.458 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.423 -0.484 0.894 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.249 -1.951 1.787 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.432 -0.963 0.953 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.906 -0.177 4.789 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.347 -1.713 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.666 -0.807 3.308 1.00 0.00 H new ATOM 1335 N ALA A 87 14.747 -0.384 -2.245 1.00 0.00 N ATOM 1336 CA ALA A 87 13.559 -0.294 -3.079 1.00 0.00 C ATOM 1337 C ALA A 87 13.508 -1.468 -4.052 1.00 0.00 C ATOM 1338 O ALA A 87 12.515 -2.183 -4.114 1.00 0.00 O ATOM 1339 CB ALA A 87 13.576 1.033 -3.828 1.00 0.00 C ATOM 0 H ALA A 87 15.350 0.438 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 87 12.667 -0.338 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.688 1.108 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.585 1.855 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.468 1.087 -4.453 1.00 0.00 H new ATOM 1345 N GLN A 88 14.602 -1.708 -4.783 1.00 0.00 N ATOM 1346 CA GLN A 88 14.690 -2.766 -5.781 1.00 0.00 C ATOM 1347 C GLN A 88 14.288 -4.108 -5.191 1.00 0.00 C ATOM 1348 O GLN A 88 13.457 -4.800 -5.769 1.00 0.00 O ATOM 1349 CB GLN A 88 16.123 -2.817 -6.324 1.00 0.00 C ATOM 1350 CG GLN A 88 16.269 -3.422 -7.714 1.00 0.00 C ATOM 1351 CD GLN A 88 15.672 -4.812 -7.859 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.295 -5.807 -7.493 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.498 -4.930 -8.454 1.00 0.00 N ATOM 0 H GLN A 88 15.459 -1.163 -4.693 1.00 0.00 H new ATOM 0 HA GLN A 88 13.999 -2.551 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.524 -1.803 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.737 -3.390 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.795 -2.759 -8.437 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.328 -3.466 -7.968 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.992 -4.097 -8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.098 -5.855 -8.615 1.00 0.00 H new ATOM 1362 N GLN A 89 14.880 -4.459 -4.054 1.00 0.00 N ATOM 1363 CA GLN A 89 14.511 -5.651 -3.298 1.00 0.00 C ATOM 1364 C GLN A 89 12.990 -5.765 -3.163 1.00 0.00 C ATOM 1365 O GLN A 89 12.429 -6.813 -3.472 1.00 0.00 O ATOM 1366 CB GLN A 89 15.201 -5.632 -1.922 1.00 0.00 C ATOM 1367 CG GLN A 89 16.530 -6.393 -1.928 1.00 0.00 C ATOM 1368 CD GLN A 89 16.373 -7.919 -1.897 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.283 -8.472 -1.784 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.472 -8.644 -1.956 1.00 0.00 N ATOM 0 H GLN A 89 15.635 -3.921 -3.628 1.00 0.00 H new ATOM 0 HA GLN A 89 14.852 -6.533 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.377 -4.599 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.536 -6.072 -1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.093 -6.114 -2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.120 -6.081 -1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.379 -8.188 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.415 -9.661 -1.908 1.00 0.00 H new ATOM 1379 N LEU A 90 12.313 -4.703 -2.723 1.00 0.00 N ATOM 1380 CA LEU A 90 10.868 -4.727 -2.532 1.00 0.00 C ATOM 1381 C LEU A 90 10.113 -4.865 -3.851 1.00 0.00 C ATOM 1382 O LEU A 90 9.130 -5.600 -3.890 1.00 0.00 O ATOM 1383 CB LEU A 90 10.410 -3.464 -1.790 1.00 0.00 C ATOM 1384 CG LEU A 90 11.006 -3.284 -0.379 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.521 -1.959 0.213 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.686 -4.419 0.610 1.00 0.00 C ATOM 0 H LEU A 90 12.749 -3.811 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 90 10.635 -5.606 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.670 -2.593 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.323 -3.482 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 90 12.087 -3.298 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.942 -1.831 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.843 -1.136 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.433 -1.965 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.148 -4.203 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.606 -4.499 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.077 -5.360 0.223 1.00 0.00 H new ATOM 1398 N ILE A 91 10.566 -4.217 -4.920 1.00 0.00 N ATOM 1399 CA ILE A 91 9.915 -4.288 -6.229 1.00 0.00 C ATOM 1400 C ILE A 91 10.031 -5.716 -6.776 1.00 0.00 C ATOM 1401 O ILE A 91 9.082 -6.295 -7.310 1.00 0.00 O ATOM 1402 CB ILE A 91 10.558 -3.219 -7.142 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.220 -1.804 -6.617 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.141 -3.319 -8.617 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.366 -0.818 -6.813 1.00 0.00 C ATOM 0 H ILE A 91 11.397 -3.626 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 91 8.849 -4.070 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 91 11.631 -3.406 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.333 -1.432 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.973 -1.863 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.636 -2.534 -9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.431 -4.293 -9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.060 -3.201 -8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.075 0.159 -6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.247 -1.172 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.597 -0.735 -7.875 1.00 0.00 H new ATOM 1417 N ASP A 92 11.207 -6.325 -6.615 1.00 0.00 N ATOM 1418 CA ASP A 92 11.465 -7.683 -7.074 1.00 0.00 C ATOM 1419 C ASP A 92 10.531 -8.654 -6.378 1.00 0.00 C ATOM 1420 O ASP A 92 10.014 -9.591 -6.988 1.00 0.00 O ATOM 1421 CB ASP A 92 12.910 -8.084 -6.768 1.00 0.00 C ATOM 1422 CG ASP A 92 13.509 -9.007 -7.826 1.00 0.00 C ATOM 1423 OD1 ASP A 92 13.110 -8.970 -9.018 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.410 -9.805 -7.474 1.00 0.00 O ATOM 0 H ASP A 92 12.007 -5.885 -6.161 1.00 0.00 H new ATOM 0 HA ASP A 92 11.298 -7.716 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.522 -7.185 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.946 -8.580 -5.798 1.00 0.00 H new ATOM 1429 N ILE A 93 10.338 -8.437 -5.080 1.00 0.00 N ATOM 1430 CA ILE A 93 9.360 -9.106 -4.254 1.00 0.00 C ATOM 1431 C ILE A 93 7.920 -8.886 -4.738 1.00 0.00 C ATOM 1432 O ILE A 93 7.216 -9.890 -4.836 1.00 0.00 O ATOM 1433 CB ILE A 93 9.601 -8.667 -2.796 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.912 -9.308 -2.305 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.404 -9.028 -1.915 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.357 -8.865 -0.907 1.00 0.00 C ATOM 0 H ILE A 93 10.890 -7.756 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 93 9.487 -10.186 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 93 9.702 -7.583 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.794 -10.392 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.704 -9.072 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.597 -8.709 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.512 -8.526 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.249 -10.107 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.288 -9.367 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.512 -7.786 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.588 -9.126 -0.180 1.00 0.00 H new ATOM 1448 N VAL A 94 7.454 -7.655 -5.003 1.00 0.00 N ATOM 1449 CA VAL A 94 6.082 -7.390 -5.468 1.00 0.00 C ATOM 1450 C VAL A 94 5.807 -8.257 -6.688 1.00 0.00 C ATOM 1451 O VAL A 94 4.803 -8.969 -6.742 1.00 0.00 O ATOM 1452 CB VAL A 94 5.874 -5.884 -5.778 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.604 -5.537 -6.596 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.783 -5.093 -4.469 1.00 0.00 C ATOM 0 H VAL A 94 8.020 -6.812 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 94 5.373 -7.644 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 94 6.737 -5.617 -6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.557 -4.460 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.642 -6.045 -7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.719 -5.862 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.637 -4.036 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.942 -5.459 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.705 -5.220 -3.902 1.00 0.00 H new ATOM 1464 N HIS A 95 6.729 -8.260 -7.641 1.00 0.00 N ATOM 1465 CA HIS A 95 6.575 -8.974 -8.889 1.00 0.00 C ATOM 1466 C HIS A 95 6.705 -10.477 -8.655 1.00 0.00 C ATOM 1467 O HIS A 95 5.906 -11.267 -9.170 1.00 0.00 O ATOM 1468 CB HIS A 95 7.628 -8.412 -9.835 1.00 0.00 C ATOM 1469 CG HIS A 95 7.414 -6.946 -10.140 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.392 -6.058 -10.523 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.247 -6.237 -9.991 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.817 -4.846 -10.614 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.498 -4.922 -10.374 1.00 0.00 N ATOM 0 H HIS A 95 7.614 -7.759 -7.563 1.00 0.00 H new ATOM 0 HA HIS A 95 5.588 -8.838 -9.331 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.616 -8.547 -9.394 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.614 -8.979 -10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.304 -6.629 -9.640 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.345 -3.934 -10.849 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.816 -4.168 -10.456 1.00 0.00 H new ATOM 1481 N GLY A 96 7.628 -10.860 -7.775 1.00 0.00 N ATOM 1482 CA GLY A 96 7.792 -12.209 -7.252 1.00 0.00 C ATOM 1483 C GLY A 96 6.514 -12.751 -6.605 1.00 0.00 C ATOM 1484 O GLY A 96 6.313 -13.970 -6.522 1.00 0.00 O ATOM 0 H GLY A 96 8.311 -10.207 -7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.095 -12.874 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.597 -12.214 -6.517 1.00 0.00 H new ATOM 1488 N CYS A 97 5.636 -11.848 -6.176 1.00 0.00 N ATOM 1489 CA CYS A 97 4.416 -12.118 -5.453 1.00 0.00 C ATOM 1490 C CYS A 97 3.198 -12.020 -6.348 1.00 0.00 C ATOM 1491 O CYS A 97 2.258 -12.772 -6.102 1.00 0.00 O ATOM 1492 CB CYS A 97 4.316 -11.198 -4.239 1.00 0.00 C ATOM 1493 SG CYS A 97 5.295 -11.814 -2.850 1.00 0.00 S ATOM 0 H CYS A 97 5.774 -10.851 -6.338 1.00 0.00 H new ATOM 0 HA CYS A 97 4.446 -13.147 -5.096 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.658 -10.199 -4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.273 -11.107 -3.937 1.00 0.00 H new ATOM 1498 N GLU A 98 3.217 -11.220 -7.418 1.00 0.00 N ATOM 1499 CA GLU A 98 2.255 -11.385 -8.493 1.00 0.00 C ATOM 1500 C GLU A 98 2.370 -12.814 -9.030 1.00 0.00 C ATOM 1501 O GLU A 98 1.350 -13.457 -9.273 1.00 0.00 O ATOM 1502 CB GLU A 98 2.466 -10.400 -9.639 1.00 0.00 C ATOM 1503 CG GLU A 98 2.023 -8.975 -9.307 1.00 0.00 C ATOM 1504 CD GLU A 98 1.902 -8.069 -10.550 1.00 0.00 C ATOM 1505 OE1 GLU A 98 2.087 -8.533 -11.706 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.500 -6.895 -10.394 1.00 0.00 O ATOM 0 H GLU A 98 3.884 -10.461 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 98 1.264 -11.188 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.522 -10.390 -9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.916 -10.749 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.060 -9.011 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.736 -8.533 -8.612 1.00 0.00 H new ATOM 1513 N LYS A 99 3.603 -13.322 -9.187 1.00 0.00 N ATOM 1514 CA LYS A 99 3.884 -14.677 -9.657 1.00 0.00 C ATOM 1515 C LYS A 99 3.382 -15.734 -8.684 1.00 0.00 C ATOM 1516 O LYS A 99 2.570 -16.581 -9.060 1.00 0.00 O ATOM 1517 CB LYS A 99 5.388 -14.843 -9.922 1.00 0.00 C ATOM 1518 CG LYS A 99 5.744 -14.268 -11.297 1.00 0.00 C ATOM 1519 CD LYS A 99 7.137 -13.650 -11.357 1.00 0.00 C ATOM 1520 CE LYS A 99 8.254 -14.669 -11.126 1.00 0.00 C ATOM 1521 NZ LYS A 99 9.572 -14.035 -11.308 1.00 0.00 N ATOM 0 H LYS A 99 4.447 -12.786 -8.985 1.00 0.00 H new ATOM 0 HA LYS A 99 3.342 -14.825 -10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.961 -14.334 -9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.659 -15.898 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.675 -15.060 -12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.008 -13.511 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.278 -13.179 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.211 -12.862 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.177 -15.081 -10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.145 -15.502 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.321 -14.739 -11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.648 -13.663 -12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.679 -13.255 -10.628 1.00 0.00 H new ATOM 1535 N SER A 100 3.907 -15.743 -7.459 1.00 0.00 N ATOM 1536 CA SER A 100 3.613 -16.826 -6.529 1.00 0.00 C ATOM 1537 C SER A 100 2.155 -16.808 -6.045 1.00 0.00 C ATOM 1538 O SER A 100 1.650 -17.853 -5.627 1.00 0.00 O ATOM 1539 CB SER A 100 4.637 -16.848 -5.388 1.00 0.00 C ATOM 1540 OG SER A 100 4.892 -15.564 -4.856 1.00 0.00 O ATOM 0 H SER A 100 4.529 -15.022 -7.094 1.00 0.00 H new ATOM 0 HA SER A 100 3.714 -17.769 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.275 -17.500 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.570 -17.277 -5.752 1.00 0.00 H new ATOM 0 HG SER A 100 5.525 -15.090 -5.434 1.00 0.00 H new ATOM 1546 N THR A 101 1.450 -15.676 -6.127 1.00 0.00 N ATOM 1547 CA THR A 101 0.010 -15.636 -5.915 1.00 0.00 C ATOM 1548 C THR A 101 -0.678 -16.262 -7.143 1.00 0.00 C ATOM 1549 O THR A 101 -0.413 -15.841 -8.275 1.00 0.00 O ATOM 1550 CB THR A 101 -0.434 -14.187 -5.664 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.289 -13.671 -4.565 1.00 0.00 O ATOM 1552 CG2 THR A 101 -1.912 -14.060 -5.315 1.00 0.00 C ATOM 0 H THR A 101 1.864 -14.769 -6.341 1.00 0.00 H new ATOM 0 HA THR A 101 -0.276 -16.211 -5.035 1.00 0.00 H new ATOM 0 HB THR A 101 -0.248 -13.644 -6.590 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.118 -13.258 -4.884 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.158 -13.011 -5.150 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.514 -14.450 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.122 -14.628 -4.409 1.00 0.00 H new ATOM 1560 N PRO A 102 -1.562 -17.262 -6.965 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.325 -17.809 -8.076 1.00 0.00 C ATOM 1562 C PRO A 102 -3.247 -16.721 -8.628 1.00 0.00 C ATOM 1563 O PRO A 102 -3.819 -15.947 -7.857 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.091 -19.003 -7.508 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.224 -18.695 -6.017 1.00 0.00 C ATOM 1566 CD PRO A 102 -1.985 -17.856 -5.703 1.00 0.00 C ATOM 0 HA PRO A 102 -1.702 -18.138 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.068 -19.110 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.553 -19.936 -7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.142 -18.148 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.250 -19.607 -5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.214 -17.085 -4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.194 -18.475 -5.280 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.353 -16.634 -9.955 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.152 -15.641 -10.660 1.00 0.00 C ATOM 1576 C ALA A 103 -5.642 -15.871 -10.399 1.00 0.00 C ATOM 1577 O ALA A 103 -6.301 -16.623 -11.127 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.818 -15.686 -12.152 1.00 0.00 C ATOM 0 H ALA A 103 -2.869 -17.274 -10.584 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.913 -14.644 -10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.415 -14.943 -12.681 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.759 -15.469 -12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.041 -16.678 -12.545 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.151 -15.238 -9.346 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.548 -15.307 -8.955 1.00 0.00 C ATOM 1586 C ASN A 104 -8.387 -14.542 -9.967 1.00 0.00 C ATOM 1587 O ASN A 104 -8.003 -13.452 -10.394 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.739 -14.700 -7.559 1.00 0.00 C ATOM 1589 CG ASN A 104 -8.999 -15.183 -6.870 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.103 -15.140 -7.399 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.888 -15.681 -5.658 1.00 0.00 N ATOM 0 H ASN A 104 -5.588 -14.651 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.863 -16.350 -8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.876 -14.947 -6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.771 -13.614 -7.643 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.715 -16.025 -5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.975 -15.723 -5.206 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.556 -15.080 -10.293 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.651 -14.396 -10.964 1.00 0.00 C ATOM 1600 C ASP A 105 -10.952 -13.036 -10.323 1.00 0.00 C ATOM 1601 O ASP A 105 -11.238 -12.065 -11.021 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.890 -15.301 -10.901 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.161 -14.553 -11.298 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.193 -13.978 -12.413 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.103 -14.508 -10.468 1.00 0.00 O ATOM 0 H ASP A 105 -9.775 -16.054 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.369 -14.202 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.750 -16.156 -11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.001 -15.695 -9.891 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.852 -12.925 -8.999 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.166 -11.682 -8.306 1.00 0.00 C ATOM 1612 C ASP A 106 -9.864 -10.903 -8.142 1.00 0.00 C ATOM 1613 O ASP A 106 -9.012 -11.292 -7.336 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.829 -11.971 -6.957 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.667 -10.797 -6.458 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.185 -9.642 -6.495 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.810 -11.023 -6.002 1.00 0.00 O ATOM 0 H ASP A 106 -10.555 -13.684 -8.386 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.877 -11.088 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.462 -12.853 -7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.061 -12.205 -6.220 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.664 -9.833 -8.917 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.469 -9.009 -8.872 1.00 0.00 C ATOM 1624 C LYS A 107 -8.229 -8.461 -7.483 1.00 0.00 C ATOM 1625 O LYS A 107 -7.077 -8.368 -7.072 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.571 -7.853 -9.888 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.213 -7.660 -10.564 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.048 -8.762 -11.615 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.369 -8.242 -13.016 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.280 -7.443 -13.624 1.00 0.00 N ATOM 0 H LYS A 107 -10.347 -9.515 -9.605 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.621 -9.641 -9.137 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.334 -8.074 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.874 -6.935 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.156 -6.677 -11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.410 -7.711 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.027 -9.142 -11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.705 -9.598 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.591 -9.089 -13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.271 -7.632 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.570 -7.125 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.082 -6.615 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.423 -8.027 -13.702 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.285 -8.138 -6.738 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.145 -7.726 -5.357 1.00 0.00 C ATOM 1646 C CYS A 108 -8.537 -8.854 -4.518 1.00 0.00 C ATOM 1647 O CYS A 108 -7.593 -8.621 -3.769 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.494 -7.336 -4.772 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.340 -5.898 -5.450 1.00 0.00 S ATOM 0 H CYS A 108 -10.247 -8.156 -7.076 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.482 -6.861 -5.333 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.160 -8.192 -4.876 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.356 -7.167 -3.704 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.071 -10.077 -4.600 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.589 -11.197 -3.791 1.00 0.00 C ATOM 1656 C ILE A 109 -7.138 -11.505 -4.167 1.00 0.00 C ATOM 1657 O ILE A 109 -6.305 -11.685 -3.278 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.535 -12.415 -3.921 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -10.952 -12.009 -3.464 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.008 -13.589 -3.085 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.028 -13.083 -3.620 1.00 0.00 C ATOM 0 H ILE A 109 -9.842 -10.315 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.598 -10.930 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.576 -12.736 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.906 -11.715 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.258 -11.128 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.683 -14.439 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.016 -13.870 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.951 -13.293 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.984 -12.694 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.113 -13.363 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.755 -13.959 -3.032 1.00 0.00 H new ATOM 1673 N TRP A 110 -6.830 -11.513 -5.465 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.469 -11.585 -5.974 1.00 0.00 C ATOM 1675 C TRP A 110 -4.601 -10.505 -5.327 1.00 0.00 C ATOM 1676 O TRP A 110 -3.599 -10.840 -4.707 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.471 -11.488 -7.504 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.119 -11.537 -8.136 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.404 -12.664 -8.320 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.305 -10.452 -8.670 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.200 -12.365 -8.929 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.105 -11.015 -9.206 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.461 -9.051 -8.753 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.136 -10.229 -9.849 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.496 -8.256 -9.395 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.367 -8.849 -9.977 1.00 0.00 C ATOM 0 H TRP A 110 -7.535 -11.469 -6.201 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.035 -12.549 -5.709 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.074 -12.303 -7.905 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.959 -10.558 -7.794 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.724 -13.655 -8.034 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.477 -13.051 -9.145 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.333 -8.585 -8.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.232 -10.675 -10.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.625 -7.185 -9.440 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.668 -8.239 -10.529 1.00 0.00 H new ATOM 1697 N THR A 111 -4.989 -9.232 -5.404 1.00 0.00 N ATOM 1698 CA THR A 111 -4.255 -8.088 -4.866 1.00 0.00 C ATOM 1699 C THR A 111 -3.985 -8.247 -3.358 1.00 0.00 C ATOM 1700 O THR A 111 -2.874 -7.974 -2.896 1.00 0.00 O ATOM 1701 CB THR A 111 -5.041 -6.807 -5.220 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.091 -6.650 -6.619 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.456 -5.516 -4.656 1.00 0.00 C ATOM 0 H THR A 111 -5.859 -8.959 -5.862 1.00 0.00 H new ATOM 0 HA THR A 111 -3.265 -8.021 -5.318 1.00 0.00 H new ATOM 0 HB THR A 111 -6.022 -6.954 -4.769 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.687 -7.327 -7.003 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.077 -4.673 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.428 -5.574 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.445 -5.377 -5.038 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.951 -8.739 -2.569 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.753 -9.059 -1.161 1.00 0.00 C ATOM 1713 C LEU A 112 -3.698 -10.160 -1.035 1.00 0.00 C ATOM 1714 O LEU A 112 -2.798 -10.058 -0.196 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.118 -9.434 -0.551 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.143 -9.837 0.934 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -5.703 -11.287 1.128 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.353 -8.878 1.830 1.00 0.00 C ATOM 0 H LEU A 112 -5.898 -8.925 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.372 -8.205 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.790 -8.585 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.531 -10.259 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.182 -9.759 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.733 -11.537 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.375 -11.948 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.687 -11.412 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.409 -9.217 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.311 -8.857 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.776 -7.876 1.753 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.790 -11.199 -1.867 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.803 -12.259 -1.997 1.00 0.00 C ATOM 1732 C GLY A 113 -1.393 -11.720 -2.237 1.00 0.00 C ATOM 1733 O GLY A 113 -0.492 -12.037 -1.460 1.00 0.00 O ATOM 0 H GLY A 113 -4.587 -11.325 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.807 -12.867 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.084 -12.913 -2.822 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.203 -10.892 -3.267 1.00 0.00 N ATOM 1738 CA VAL A 114 0.073 -10.274 -3.621 1.00 0.00 C ATOM 1739 C VAL A 114 0.592 -9.482 -2.414 1.00 0.00 C ATOM 1740 O VAL A 114 1.733 -9.667 -2.001 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.080 -9.409 -4.895 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.240 -8.731 -5.286 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.525 -10.263 -6.093 1.00 0.00 C ATOM 0 H VAL A 114 -1.960 -10.626 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 114 0.814 -11.037 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.831 -8.655 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.090 -8.133 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.572 -8.086 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.997 -9.492 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.625 -9.630 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.218 -11.037 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.485 -10.729 -5.871 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.243 -8.641 -1.794 1.00 0.00 N ATOM 1754 CA ALA A 115 0.174 -7.799 -0.677 1.00 0.00 C ATOM 1755 C ALA A 115 0.585 -8.609 0.553 1.00 0.00 C ATOM 1756 O ALA A 115 1.561 -8.261 1.224 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.966 -6.842 -0.312 1.00 0.00 C ATOM 0 H ALA A 115 -1.223 -8.528 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 115 1.054 -7.241 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.659 -6.211 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.205 -6.216 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.847 -7.417 -0.026 1.00 0.00 H new ATOM 1763 N THR A 116 -0.155 -9.679 0.840 1.00 0.00 N ATOM 1764 CA THR A 116 0.146 -10.648 1.884 1.00 0.00 C ATOM 1765 C THR A 116 1.510 -11.290 1.573 1.00 0.00 C ATOM 1766 O THR A 116 2.415 -11.281 2.402 1.00 0.00 O ATOM 1767 CB THR A 116 -1.004 -11.674 1.912 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.211 -11.051 2.312 1.00 0.00 O ATOM 1769 CG2 THR A 116 -0.780 -12.880 2.814 1.00 0.00 C ATOM 0 H THR A 116 -1.011 -9.900 0.331 1.00 0.00 H new ATOM 0 HA THR A 116 0.219 -10.191 2.871 1.00 0.00 H new ATOM 0 HB THR A 116 -1.053 -12.048 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.629 -10.620 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.646 -13.539 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.108 -13.420 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.641 -12.545 3.842 1.00 0.00 H new ATOM 1777 N CYS A 117 1.686 -11.804 0.351 1.00 0.00 N ATOM 1778 CA CYS A 117 2.932 -12.405 -0.096 1.00 0.00 C ATOM 1779 C CYS A 117 4.101 -11.432 0.074 1.00 0.00 C ATOM 1780 O CYS A 117 5.157 -11.859 0.554 1.00 0.00 O ATOM 1781 CB CYS A 117 2.774 -12.885 -1.544 1.00 0.00 C ATOM 1782 SG CYS A 117 4.280 -13.509 -2.333 1.00 0.00 S ATOM 0 H CYS A 117 0.954 -11.811 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 117 3.163 -13.272 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.021 -13.673 -1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.388 -12.059 -2.141 1.00 0.00 H new ATOM 1787 N PHE A 118 3.925 -10.149 -0.284 1.00 0.00 N ATOM 1788 CA PHE A 118 4.962 -9.143 -0.139 1.00 0.00 C ATOM 1789 C PHE A 118 5.431 -9.108 1.322 1.00 0.00 C ATOM 1790 O PHE A 118 6.596 -9.351 1.625 1.00 0.00 O ATOM 1791 CB PHE A 118 4.415 -7.790 -0.647 1.00 0.00 C ATOM 1792 CG PHE A 118 5.302 -6.571 -0.465 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.662 -6.725 -0.186 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.796 -5.271 -0.633 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.530 -5.633 -0.185 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.650 -4.158 -0.554 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.023 -4.336 -0.347 1.00 0.00 C ATOM 0 H PHE A 118 3.056 -9.792 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 118 5.839 -9.379 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 118 4.195 -7.892 -1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.468 -7.597 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.049 -7.709 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.743 -5.126 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.592 -5.787 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.246 -3.161 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.685 -3.483 -0.312 1.00 0.00 H new ATOM 1807 N LYS A 119 4.496 -8.832 2.223 1.00 0.00 N ATOM 1808 CA LYS A 119 4.634 -8.793 3.670 1.00 0.00 C ATOM 1809 C LYS A 119 5.576 -9.889 4.178 1.00 0.00 C ATOM 1810 O LYS A 119 6.597 -9.570 4.790 1.00 0.00 O ATOM 1811 CB LYS A 119 3.227 -8.911 4.290 1.00 0.00 C ATOM 1812 CG LYS A 119 3.164 -8.244 5.654 1.00 0.00 C ATOM 1813 CD LYS A 119 2.857 -6.752 5.556 1.00 0.00 C ATOM 1814 CE LYS A 119 2.810 -6.222 6.986 1.00 0.00 C ATOM 1815 NZ LYS A 119 2.494 -4.785 7.050 1.00 0.00 N ATOM 0 H LYS A 119 3.543 -8.612 1.934 1.00 0.00 H new ATOM 0 HA LYS A 119 5.087 -7.848 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.495 -8.452 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.957 -9.963 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.399 -8.731 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.115 -8.384 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.623 -6.236 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.907 -6.584 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.063 -6.779 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.772 -6.400 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.475 -4.478 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.220 -4.247 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.564 -4.614 6.617 1.00 0.00 H new ATOM 1829 N ALA A 120 5.276 -11.155 3.877 1.00 0.00 N ATOM 1830 CA ALA A 120 6.075 -12.282 4.339 1.00 0.00 C ATOM 1831 C ALA A 120 7.521 -12.226 3.822 1.00 0.00 C ATOM 1832 O ALA A 120 8.440 -12.559 4.565 1.00 0.00 O ATOM 1833 CB ALA A 120 5.394 -13.595 3.944 1.00 0.00 C ATOM 0 H ALA A 120 4.473 -11.422 3.307 1.00 0.00 H new ATOM 0 HA ALA A 120 6.137 -12.225 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.995 -14.435 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.405 -13.643 4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.297 -13.642 2.859 1.00 0.00 H new ATOM 1839 N GLU A 121 7.769 -11.786 2.583 1.00 0.00 N ATOM 1840 CA GLU A 121 9.138 -11.682 2.071 1.00 0.00 C ATOM 1841 C GLU A 121 9.947 -10.609 2.799 1.00 0.00 C ATOM 1842 O GLU A 121 11.162 -10.756 2.903 1.00 0.00 O ATOM 1843 CB GLU A 121 9.184 -11.404 0.569 1.00 0.00 C ATOM 1844 CG GLU A 121 8.678 -12.521 -0.352 1.00 0.00 C ATOM 1845 CD GLU A 121 9.775 -13.382 -0.994 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.645 -12.844 -1.726 1.00 0.00 O ATOM 1847 OE2 GLU A 121 9.712 -14.625 -0.896 1.00 0.00 O ATOM 0 H GLU A 121 7.047 -11.499 1.923 1.00 0.00 H new ATOM 0 HA GLU A 121 9.588 -12.657 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.598 -10.507 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.215 -11.178 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 121 8.016 -13.171 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.078 -12.074 -1.145 1.00 0.00 H new ATOM 1854 N ILE A 122 9.328 -9.562 3.351 1.00 0.00 N ATOM 1855 CA ILE A 122 10.053 -8.605 4.182 1.00 0.00 C ATOM 1856 C ILE A 122 10.579 -9.308 5.448 1.00 0.00 C ATOM 1857 O ILE A 122 11.666 -8.989 5.935 1.00 0.00 O ATOM 1858 CB ILE A 122 9.189 -7.353 4.462 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.713 -6.719 3.137 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.961 -6.345 5.332 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.809 -5.494 3.315 1.00 0.00 C ATOM 0 H ILE A 122 8.335 -9.359 3.237 1.00 0.00 H new ATOM 0 HA ILE A 122 10.929 -8.234 3.650 1.00 0.00 H new ATOM 0 HB ILE A 122 8.303 -7.655 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.586 -6.430 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.176 -7.472 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.336 -5.471 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 122 10.225 -6.811 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.869 -6.038 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.520 -5.110 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.916 -5.779 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.347 -4.721 3.863 1.00 0.00 H new ATOM 1873 N HIS A 123 9.879 -10.329 5.948 1.00 0.00 N ATOM 1874 CA HIS A 123 10.378 -11.162 7.036 1.00 0.00 C ATOM 1875 C HIS A 123 11.535 -12.073 6.578 1.00 0.00 C ATOM 1876 O HIS A 123 12.313 -12.538 7.409 1.00 0.00 O ATOM 1877 CB HIS A 123 9.212 -11.970 7.619 1.00 0.00 C ATOM 1878 CG HIS A 123 9.389 -12.321 9.072 1.00 0.00 C ATOM 1879 ND1 HIS A 123 9.465 -13.589 9.592 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.465 -11.438 10.111 1.00 0.00 C ATOM 1881 CE1 HIS A 123 9.580 -13.477 10.923 1.00 0.00 C ATOM 1882 NE2 HIS A 123 9.586 -12.179 11.295 1.00 0.00 N ATOM 0 H HIS A 123 8.955 -10.598 5.610 1.00 0.00 H new ATOM 0 HA HIS A 123 10.791 -10.521 7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.291 -11.399 7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.094 -12.888 7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 123 9.437 -10.361 10.034 1.00 0.00 H new ATOM 0 HE1 HIS A 123 9.657 -14.311 11.605 1.00 0.00 H new ATOM 0 HE2 HIS A 123 9.663 -11.812 12.244 1.00 0.00 H new ATOM 1890 N LYS A 124 11.683 -12.310 5.269 1.00 0.00 N ATOM 1891 CA LYS A 124 12.763 -13.089 4.648 1.00 0.00 C ATOM 1892 C LYS A 124 13.933 -12.191 4.207 1.00 0.00 C ATOM 1893 O LYS A 124 14.870 -12.712 3.596 1.00 0.00 O ATOM 1894 CB LYS A 124 12.206 -13.904 3.452 1.00 0.00 C ATOM 1895 CG LYS A 124 11.138 -14.947 3.844 1.00 0.00 C ATOM 1896 CD LYS A 124 10.274 -15.460 2.675 1.00 0.00 C ATOM 1897 CE LYS A 124 11.032 -16.174 1.552 1.00 0.00 C ATOM 1898 NZ LYS A 124 11.139 -17.625 1.775 1.00 0.00 N ATOM 0 H LYS A 124 11.023 -11.947 4.581 1.00 0.00 H new ATOM 0 HA LYS A 124 13.156 -13.780 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.776 -13.215 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.032 -14.414 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.635 -15.798 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.482 -14.509 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.524 -16.143 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.737 -14.614 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.526 -15.992 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.032 -15.749 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.660 -18.060 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.646 -17.803 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.187 -18.039 1.830 1.00 0.00 H new ATOM 1912 N LEU A 125 13.902 -10.870 4.441 1.00 0.00 N ATOM 1913 CA LEU A 125 15.015 -9.960 4.162 1.00 0.00 C ATOM 1914 C LEU A 125 16.015 -9.942 5.314 1.00 0.00 C ATOM 1915 O LEU A 125 15.703 -10.333 6.439 1.00 0.00 O ATOM 1916 CB LEU A 125 14.503 -8.520 3.957 1.00 0.00 C ATOM 1917 CG LEU A 125 13.869 -8.264 2.582 1.00 0.00 C ATOM 1918 CD1 LEU A 125 13.178 -6.897 2.572 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.971 -8.309 1.517 1.00 0.00 C ATOM 0 H LEU A 125 13.088 -10.400 4.836 1.00 0.00 H new ATOM 0 HA LEU A 125 15.502 -10.321 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.769 -8.295 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.334 -7.828 4.095 1.00 0.00 H new ATOM 0 HG LEU A 125 13.122 -9.029 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.731 -6.723 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.400 -6.877 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.911 -6.117 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.535 -8.129 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.715 -7.541 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.448 -9.289 1.528 1.00 0.00 H new ATOM 1931 N ASN A 126 17.191 -9.368 5.042 1.00 0.00 N ATOM 1932 CA ASN A 126 18.218 -9.061 6.040 1.00 0.00 C ATOM 1933 C ASN A 126 18.082 -7.615 6.560 1.00 0.00 C ATOM 1934 O ASN A 126 18.994 -7.101 7.215 1.00 0.00 O ATOM 1935 CB ASN A 126 19.612 -9.275 5.441 1.00 0.00 C ATOM 1936 CG ASN A 126 20.631 -9.807 6.435 1.00 0.00 C ATOM 1937 OD1 ASN A 126 20.893 -11.003 6.523 1.00 0.00 O ATOM 1938 ND2 ASN A 126 21.172 -8.932 7.246 1.00 0.00 N ATOM 0 H ASN A 126 17.461 -9.097 4.096 1.00 0.00 H new ATOM 0 HA ASN A 126 18.080 -9.736 6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.535 -9.971 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.972 -8.329 5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.824 -9.240 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.941 -7.943 7.156 1.00 0.00 H new ATOM 1945 N TRP A 127 17.016 -6.893 6.192 1.00 0.00 N ATOM 1946 CA TRP A 127 16.757 -5.519 6.622 1.00 0.00 C ATOM 1947 C TRP A 127 15.257 -5.284 6.780 1.00 0.00 C ATOM 1948 O TRP A 127 14.446 -6.109 6.359 1.00 0.00 O ATOM 1949 CB TRP A 127 17.356 -4.520 5.617 1.00 0.00 C ATOM 1950 CG TRP A 127 16.785 -4.551 4.233 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.976 -5.535 3.330 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.871 -3.605 3.599 1.00 0.00 C ATOM 1953 NE1 TRP A 127 16.263 -5.266 2.184 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.512 -4.121 2.319 1.00 0.00 C ATOM 1955 CE3 TRP A 127 15.286 -2.379 3.981 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.561 -3.502 1.501 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.370 -1.717 3.141 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.989 -2.291 1.915 1.00 0.00 C ATOM 0 H TRP A 127 16.294 -7.260 5.572 1.00 0.00 H new ATOM 0 HA TRP A 127 17.234 -5.363 7.589 1.00 0.00 H new ATOM 0 HB2 TRP A 127 17.229 -3.514 6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 127 18.428 -4.704 5.549 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.597 -6.405 3.484 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.288 -5.842 1.342 1.00 0.00 H new ATOM 0 HE3 TRP A 127 15.545 -1.941 4.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.271 -3.951 0.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.958 -0.764 3.440 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.256 -1.799 1.293 1.00 0.00 H new ATOM 1969 N ALA A 128 14.907 -4.132 7.352 1.00 0.00 N ATOM 1970 CA ALA A 128 13.538 -3.697 7.601 1.00 0.00 C ATOM 1971 C ALA A 128 13.292 -2.363 6.884 1.00 0.00 C ATOM 1972 O ALA A 128 13.962 -1.384 7.219 1.00 0.00 O ATOM 1973 CB ALA A 128 13.306 -3.549 9.108 1.00 0.00 C ATOM 0 H ALA A 128 15.599 -3.451 7.666 1.00 0.00 H new ATOM 0 HA ALA A 128 12.840 -4.440 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.281 -3.224 9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.474 -4.508 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.998 -2.810 9.512 1.00 0.00 H new ATOM 1979 N PRO A 129 12.380 -2.291 5.901 1.00 0.00 N ATOM 1980 CA PRO A 129 11.838 -1.026 5.423 1.00 0.00 C ATOM 1981 C PRO A 129 10.901 -0.427 6.474 1.00 0.00 C ATOM 1982 O PRO A 129 10.243 -1.172 7.220 1.00 0.00 O ATOM 1983 CB PRO A 129 11.045 -1.354 4.149 1.00 0.00 C ATOM 1984 CG PRO A 129 11.138 -2.870 3.973 1.00 0.00 C ATOM 1985 CD PRO A 129 11.696 -3.405 5.284 1.00 0.00 C ATOM 0 HA PRO A 129 12.630 -0.303 5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 129 10.007 -1.035 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.461 -0.835 3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.159 -3.300 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.788 -3.128 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.898 -3.779 5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.380 -4.236 5.109 1.00 0.00 H new ATOM 1993 N SER A 130 10.709 0.894 6.452 1.00 0.00 N ATOM 1994 CA SER A 130 9.556 1.501 7.099 1.00 0.00 C ATOM 1995 C SER A 130 8.277 0.936 6.478 1.00 0.00 C ATOM 1996 O SER A 130 8.274 0.454 5.336 1.00 0.00 O ATOM 1997 CB SER A 130 9.581 3.021 6.960 1.00 0.00 C ATOM 1998 OG SER A 130 10.825 3.571 7.336 1.00 0.00 O ATOM 0 H SER A 130 11.336 1.556 5.995 1.00 0.00 H new ATOM 0 HA SER A 130 9.587 1.265 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.363 3.293 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.793 3.453 7.577 1.00 0.00 H new ATOM 0 HG SER A 130 10.750 4.547 7.384 1.00 0.00 H new ATOM 2004 N MET A 131 7.157 1.023 7.193 1.00 0.00 N ATOM 2005 CA MET A 131 5.874 0.660 6.615 1.00 0.00 C ATOM 2006 C MET A 131 5.590 1.536 5.414 1.00 0.00 C ATOM 2007 O MET A 131 5.305 1.007 4.353 1.00 0.00 O ATOM 2008 CB MET A 131 4.759 0.763 7.645 1.00 0.00 C ATOM 2009 CG MET A 131 4.898 -0.327 8.707 1.00 0.00 C ATOM 2010 SD MET A 131 5.587 0.206 10.296 1.00 0.00 S ATOM 2011 CE MET A 131 4.144 1.132 10.883 1.00 0.00 C ATOM 0 H MET A 131 7.116 1.338 8.162 1.00 0.00 H new ATOM 0 HA MET A 131 5.918 -0.379 6.289 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.785 1.744 8.119 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.792 0.674 7.150 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.914 -0.762 8.886 1.00 0.00 H new ATOM 0 HG3 MET A 131 5.529 -1.120 8.306 1.00 0.00 H new ATOM 0 HE1 MET A 131 4.439 2.155 11.116 1.00 0.00 H new ATOM 0 HE2 MET A 131 3.378 1.143 10.107 1.00 0.00 H new ATOM 0 HE3 MET A 131 3.746 0.656 11.779 1.00 0.00 H new ATOM 2021 N ASP A 132 5.732 2.850 5.544 1.00 0.00 N ATOM 2022 CA ASP A 132 5.374 3.786 4.483 1.00 0.00 C ATOM 2023 C ASP A 132 6.131 3.527 3.186 1.00 0.00 C ATOM 2024 O ASP A 132 5.589 3.808 2.126 1.00 0.00 O ATOM 2025 CB ASP A 132 5.569 5.229 4.951 1.00 0.00 C ATOM 2026 CG ASP A 132 4.394 5.670 5.816 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.009 4.917 6.743 1.00 0.00 O ATOM 2028 OD2 ASP A 132 3.827 6.743 5.547 1.00 0.00 O ATOM 0 H ASP A 132 6.097 3.296 6.385 1.00 0.00 H new ATOM 0 HA ASP A 132 4.319 3.626 4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.497 5.312 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.661 5.889 4.088 1.00 0.00 H new ATOM 2033 N VAL A 133 7.329 2.938 3.230 1.00 0.00 N ATOM 2034 CA VAL A 133 7.980 2.415 2.034 1.00 0.00 C ATOM 2035 C VAL A 133 7.193 1.185 1.561 1.00 0.00 C ATOM 2036 O VAL A 133 6.577 1.216 0.503 1.00 0.00 O ATOM 2037 CB VAL A 133 9.472 2.135 2.315 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.200 1.606 1.081 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.182 3.420 2.768 1.00 0.00 C ATOM 0 H VAL A 133 7.867 2.813 4.087 1.00 0.00 H new ATOM 0 HA VAL A 133 7.971 3.144 1.224 1.00 0.00 H new ATOM 0 HB VAL A 133 9.503 1.378 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.246 1.423 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.736 0.675 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.138 2.342 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.233 3.206 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.104 4.174 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.713 3.793 3.679 1.00 0.00 H new ATOM 2049 N ALA A 134 7.126 0.118 2.363 1.00 0.00 N ATOM 2050 CA ALA A 134 6.474 -1.137 1.989 1.00 0.00 C ATOM 2051 C ALA A 134 4.956 -1.047 1.726 1.00 0.00 C ATOM 2052 O ALA A 134 4.353 -2.048 1.329 1.00 0.00 O ATOM 2053 CB ALA A 134 6.729 -2.160 3.088 1.00 0.00 C ATOM 0 H ALA A 134 7.528 0.103 3.300 1.00 0.00 H new ATOM 0 HA ALA A 134 6.913 -1.426 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.249 -3.103 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.802 -2.317 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.318 -1.793 4.029 1.00 0.00 H new ATOM 2059 N VAL A 135 4.299 0.081 1.984 1.00 0.00 N ATOM 2060 CA VAL A 135 2.939 0.359 1.534 1.00 0.00 C ATOM 2061 C VAL A 135 2.951 1.387 0.395 1.00 0.00 C ATOM 2062 O VAL A 135 2.109 1.308 -0.499 1.00 0.00 O ATOM 2063 CB VAL A 135 2.030 0.806 2.712 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.567 0.590 2.301 1.00 0.00 C ATOM 2065 CG2 VAL A 135 2.271 0.093 4.064 1.00 0.00 C ATOM 0 H VAL A 135 4.707 0.844 2.524 1.00 0.00 H new ATOM 0 HA VAL A 135 2.512 -0.565 1.144 1.00 0.00 H new ATOM 0 HB VAL A 135 2.280 1.852 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.089 0.898 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.347 1.183 1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.403 -0.465 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.581 0.486 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 135 2.106 -0.978 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 135 3.296 0.268 4.390 1.00 0.00 H new ATOM 2075 N GLY A 136 3.899 2.321 0.387 1.00 0.00 N ATOM 2076 CA GLY A 136 4.073 3.300 -0.669 1.00 0.00 C ATOM 2077 C GLY A 136 4.381 2.626 -2.008 1.00 0.00 C ATOM 2078 O GLY A 136 3.738 2.949 -3.009 1.00 0.00 O ATOM 0 H GLY A 136 4.583 2.416 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.169 3.902 -0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.883 3.980 -0.407 1.00 0.00 H new ATOM 2082 N GLU A 137 5.326 1.680 -2.009 1.00 0.00 N ATOM 2083 CA GLU A 137 5.941 1.101 -3.200 1.00 0.00 C ATOM 2084 C GLU A 137 4.958 0.153 -3.884 1.00 0.00 C ATOM 2085 O GLU A 137 4.617 0.367 -5.039 1.00 0.00 O ATOM 2086 CB GLU A 137 7.274 0.413 -2.837 1.00 0.00 C ATOM 2087 CG GLU A 137 8.327 1.407 -2.298 1.00 0.00 C ATOM 2088 CD GLU A 137 9.747 1.201 -2.843 1.00 0.00 C ATOM 2089 OE1 GLU A 137 9.936 1.351 -4.075 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.651 0.997 -2.005 1.00 0.00 O ATOM 0 H GLU A 137 5.695 1.284 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 137 6.178 1.892 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.089 -0.357 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.672 -0.089 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.005 2.420 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.356 1.330 -1.211 1.00 0.00 H new ATOM 2097 N ILE A 138 4.374 -0.813 -3.159 1.00 0.00 N ATOM 2098 CA ILE A 138 3.513 -1.814 -3.812 1.00 0.00 C ATOM 2099 C ILE A 138 2.310 -1.165 -4.517 1.00 0.00 C ATOM 2100 O ILE A 138 1.783 -1.704 -5.483 1.00 0.00 O ATOM 2101 CB ILE A 138 3.103 -2.940 -2.832 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.189 -3.985 -3.521 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.455 -2.393 -1.540 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.979 -5.311 -2.776 1.00 0.00 C ATOM 0 H ILE A 138 4.476 -0.923 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 138 4.101 -2.289 -4.597 1.00 0.00 H new ATOM 0 HB ILE A 138 4.023 -3.443 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.213 -3.528 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.606 -4.208 -4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.186 -3.224 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 138 3.162 -1.742 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.559 -1.827 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.322 -5.956 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.940 -5.805 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.525 -5.115 -1.805 1.00 0.00 H new ATOM 2116 N LEU A 139 1.858 -0.002 -4.053 1.00 0.00 N ATOM 2117 CA LEU A 139 0.786 0.756 -4.684 1.00 0.00 C ATOM 2118 C LEU A 139 1.263 1.514 -5.922 1.00 0.00 C ATOM 2119 O LEU A 139 0.534 1.635 -6.903 1.00 0.00 O ATOM 2120 CB LEU A 139 0.279 1.760 -3.661 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.503 1.140 -2.484 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -1.040 2.225 -1.549 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.685 0.276 -2.916 1.00 0.00 C ATOM 0 H LEU A 139 2.233 0.445 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 139 0.008 0.064 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.129 2.314 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.363 2.481 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 139 0.220 0.502 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.587 1.760 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.208 2.804 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.708 2.885 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.185 -0.124 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.388 0.881 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.327 -0.547 -3.535 1.00 0.00 H new ATOM 2135 N ALA A 140 2.476 2.046 -5.882 1.00 0.00 N ATOM 2136 CA ALA A 140 3.173 2.512 -7.077 1.00 0.00 C ATOM 2137 C ALA A 140 3.333 1.420 -8.152 1.00 0.00 C ATOM 2138 O ALA A 140 3.654 1.769 -9.289 1.00 0.00 O ATOM 2139 CB ALA A 140 4.531 3.124 -6.712 1.00 0.00 C ATOM 0 H ALA A 140 3.007 2.168 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 140 2.544 3.285 -7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.032 3.464 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.380 3.970 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.147 2.373 -6.217 1.00 0.00 H new ATOM 2145 N GLU A 141 3.085 0.142 -7.847 1.00 0.00 N ATOM 2146 CA GLU A 141 3.404 -0.985 -8.705 1.00 0.00 C ATOM 2147 C GLU A 141 2.143 -1.736 -9.168 1.00 0.00 C ATOM 2148 O GLU A 141 1.840 -1.722 -10.366 1.00 0.00 O ATOM 2149 CB GLU A 141 4.380 -1.897 -7.949 1.00 0.00 C ATOM 2150 CG GLU A 141 5.756 -1.237 -7.856 1.00 0.00 C ATOM 2151 CD GLU A 141 6.639 -1.972 -6.863 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.918 -3.165 -7.134 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.059 -1.345 -5.862 1.00 0.00 O ATOM 0 H GLU A 141 2.644 -0.136 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 141 3.876 -0.627 -9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 141 3.998 -2.101 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.463 -2.856 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.230 -1.233 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.646 -0.196 -7.551 1.00 0.00 H new ATOM 2160 N VAL A 142 1.437 -2.400 -8.246 1.00 0.00 N ATOM 2161 CA VAL A 142 0.327 -3.329 -8.484 1.00 0.00 C ATOM 2162 C VAL A 142 -0.786 -2.655 -9.278 1.00 0.00 C ATOM 2163 O VAL A 142 -1.305 -3.302 -10.220 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.136 -3.903 -7.127 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.547 -4.503 -7.135 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.845 -5.004 -6.698 1.00 0.00 C ATOM 0 H VAL A 142 1.638 -2.296 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 142 0.652 -4.166 -9.102 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.157 -3.061 -6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.787 -4.881 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.268 -3.735 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.591 -5.321 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.530 -5.419 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.857 -5.794 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.845 -4.582 -6.599 1.00 0.00 H new TER 2176 VAL A 142