USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 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 105 SER OG : rot 121:sc= -2.74! USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0.52 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -0.624 X(o=-4.2,f=-4.5) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -3.57! C(o=-4.2!,f=-5!) USER MOD Set 3.1: A 41 THR OG1 : rot -81:sc= 1.41 USER MOD Set 3.2: A 43 SER OG : rot -59:sc= -3.28! USER MOD Single : A 3 THR OG1 : rot 36:sc= 0.0411 USER MOD Single : A 4 ASN : amide:sc= -3.77! K(o=-3.8!,f=-0.27) USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= -1.73 (180deg=-4.17!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -30:sc= -0.898 USER MOD Single : A 13 THR OG1 : rot 111:sc= 0.975 USER MOD Single : A 14 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1!) USER MOD Single : A 17 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-5.2!) USER MOD Single : A 18 SER OG : rot -21:sc= 0.455 USER MOD Single : A 20 ASN : amide:sc= -2.99 K(o=-3,f=-15!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.76 K(o=-2.8,f=-0.59) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.119 (180deg=-0.729) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 121:sc= 0.0537 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.299 USER MOD Single : A 54 THR OG1 : rot 44:sc= -1.16! USER MOD Single : A 55 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.2) USER MOD Single : A 56 ASN : amide:sc= -0.673 K(o=-0.67,f=-2.4!) USER MOD Single : A 59 ASN : amide:sc= 0.801 K(o=0.8,f=-6.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -9.2! C(o=-9.2!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00526 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.877! C(o=-0.88!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= 0.192 (180deg=0.0199) USER MOD Single : A 93 THR OG1 : rot -37:sc= 0.954 USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= -0.0893 (180deg=-0.517) USER MOD Single : A 97 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.3!) USER MOD Single : A 109 LYS NZ :NH3+ 145:sc= -0.471 (180deg=-2.07!) USER MOD Single : A 111 ASN : amide:sc= -2.99 K(o=-3,f=-2.1!) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 118 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -6.392 -2.303 14.854 1.00 0.00 N ATOM 32 CA THR A 3 -6.474 -3.727 15.130 1.00 0.00 C ATOM 33 C THR A 3 -6.305 -4.531 13.840 1.00 0.00 C ATOM 34 O THR A 3 -5.759 -5.633 13.858 1.00 0.00 O ATOM 35 CB THR A 3 -7.801 -3.995 15.843 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.591 -3.504 17.164 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.070 -5.489 16.039 1.00 0.00 C ATOM 0 HA THR A 3 -5.665 -4.050 15.785 1.00 0.00 H new ATOM 0 HB THR A 3 -8.616 -3.552 15.271 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.020 -2.708 17.130 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.024 -5.623 16.549 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.106 -5.983 15.068 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.272 -5.927 16.640 1.00 0.00 H new ATOM 45 N ASN A 4 -6.783 -3.948 12.750 1.00 0.00 N ATOM 46 CA ASN A 4 -6.692 -4.597 11.453 1.00 0.00 C ATOM 47 C ASN A 4 -5.285 -4.396 10.885 1.00 0.00 C ATOM 48 O ASN A 4 -4.649 -5.350 10.441 1.00 0.00 O ATOM 49 CB ASN A 4 -7.692 -3.994 10.464 1.00 0.00 C ATOM 50 CG ASN A 4 -8.924 -3.454 11.192 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.512 -2.454 10.813 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.282 -4.169 12.254 1.00 0.00 N ATOM 0 H ASN A 4 -7.234 -3.033 12.739 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.913 -5.656 11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.215 -3.190 9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.995 -4.751 9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.093 -3.891 12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.746 -4.996 12.516 1.00 0.00 H new ATOM 59 N ALA A 5 -4.841 -3.148 10.919 1.00 0.00 N ATOM 60 CA ALA A 5 -3.522 -2.809 10.413 1.00 0.00 C ATOM 61 C ALA A 5 -2.492 -3.779 10.997 1.00 0.00 C ATOM 62 O ALA A 5 -1.683 -4.346 10.264 1.00 0.00 O ATOM 63 CB ALA A 5 -3.205 -1.351 10.750 1.00 0.00 C ATOM 0 H ALA A 5 -5.371 -2.359 11.289 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.490 -2.907 9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.215 -1.097 10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.949 -0.701 10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.225 -1.215 11.831 1.00 0.00 H new ATOM 69 N GLU A 6 -2.556 -3.941 12.310 1.00 0.00 N ATOM 70 CA GLU A 6 -1.640 -4.832 13.000 1.00 0.00 C ATOM 71 C GLU A 6 -1.901 -6.283 12.590 1.00 0.00 C ATOM 72 O GLU A 6 -0.983 -7.102 12.573 1.00 0.00 O ATOM 73 CB GLU A 6 -1.749 -4.664 14.517 1.00 0.00 C ATOM 74 CG GLU A 6 -1.057 -5.817 15.248 1.00 0.00 C ATOM 75 CD GLU A 6 0.454 -5.790 15.008 1.00 0.00 C ATOM 76 OE1 GLU A 6 0.999 -4.667 14.951 1.00 0.00 O ATOM 77 OE2 GLU A 6 1.028 -6.894 14.888 1.00 0.00 O ATOM 0 H GLU A 6 -3.229 -3.470 12.915 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.622 -4.570 12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.298 -3.717 14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.799 -4.623 14.807 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.260 -5.749 16.317 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.466 -6.767 14.905 1.00 0.00 H new ATOM 84 N LYS A 7 -3.157 -6.557 12.269 1.00 0.00 N ATOM 85 CA LYS A 7 -3.550 -7.895 11.860 1.00 0.00 C ATOM 86 C LYS A 7 -2.967 -8.192 10.477 1.00 0.00 C ATOM 87 O LYS A 7 -2.403 -9.263 10.254 1.00 0.00 O ATOM 88 CB LYS A 7 -5.070 -8.052 11.932 1.00 0.00 C ATOM 89 CG LYS A 7 -5.518 -9.361 11.278 1.00 0.00 C ATOM 90 CD LYS A 7 -5.491 -9.248 9.753 1.00 0.00 C ATOM 91 CE LYS A 7 -6.755 -9.850 9.136 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.464 -10.409 7.797 1.00 0.00 N ATOM 0 H LYS A 7 -3.916 -5.875 12.284 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.143 -8.638 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.392 -8.033 12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.550 -7.210 11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.866 -10.174 11.598 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.525 -9.612 11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.404 -8.201 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.612 -9.760 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.146 -10.633 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.528 -9.085 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.209 -10.121 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.546 -10.052 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.432 -11.447 7.854 1.00 0.00 H new ATOM 106 N LEU A 8 -3.121 -7.226 9.584 1.00 0.00 N ATOM 107 CA LEU A 8 -2.617 -7.371 8.229 1.00 0.00 C ATOM 108 C LEU A 8 -1.120 -7.682 8.278 1.00 0.00 C ATOM 109 O LEU A 8 -0.648 -8.589 7.593 1.00 0.00 O ATOM 110 CB LEU A 8 -2.961 -6.136 7.394 1.00 0.00 C ATOM 111 CG LEU A 8 -4.426 -5.999 6.972 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.577 -4.984 5.838 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.021 -7.360 6.606 1.00 0.00 C ATOM 0 H LEU A 8 -3.588 -6.339 9.772 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.102 -8.210 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.683 -5.248 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.344 -6.146 6.496 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.992 -5.619 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.627 -4.906 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.217 -4.011 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.995 -5.311 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.062 -7.234 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.458 -7.792 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.967 -8.025 7.468 1.00 0.00 H new ATOM 125 N VAL A 9 -0.414 -6.913 9.093 1.00 0.00 N ATOM 126 CA VAL A 9 1.020 -7.095 9.240 1.00 0.00 C ATOM 127 C VAL A 9 1.305 -8.533 9.677 1.00 0.00 C ATOM 128 O VAL A 9 2.057 -9.271 9.044 1.00 0.00 O ATOM 129 CB VAL A 9 1.584 -6.053 10.209 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.086 -6.256 10.419 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.285 -4.634 9.722 1.00 0.00 C ATOM 0 H VAL A 9 -0.809 -6.162 9.659 1.00 0.00 H new ATOM 0 HA VAL A 9 1.524 -6.939 8.286 1.00 0.00 H new ATOM 0 HB VAL A 9 1.090 -6.188 11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.462 -5.503 11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.265 -7.249 10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.603 -6.161 9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.696 -3.913 10.428 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.739 -4.482 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.207 -4.495 9.648 1.00 0.00 H new ATOM 141 N TYR A 10 0.678 -8.920 10.790 1.00 0.00 N ATOM 142 CA TYR A 10 0.843 -10.252 11.336 1.00 0.00 C ATOM 143 C TYR A 10 0.220 -11.276 10.398 1.00 0.00 C ATOM 144 O TYR A 10 0.364 -12.472 10.644 1.00 0.00 O ATOM 145 CB TYR A 10 0.196 -10.318 12.716 1.00 0.00 C ATOM 146 CG TYR A 10 0.683 -11.475 13.555 1.00 0.00 C ATOM 147 CD1 TYR A 10 1.798 -11.317 14.387 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.019 -12.707 13.501 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.250 -12.390 15.165 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.471 -13.780 14.279 1.00 0.00 C ATOM 151 CZ TYR A 10 1.586 -13.622 15.110 1.00 0.00 C ATOM 152 OH TYR A 10 2.026 -14.667 15.868 1.00 0.00 O ATOM 0 H TYR A 10 0.051 -8.321 11.326 1.00 0.00 H new ATOM 0 HA TYR A 10 1.904 -10.480 11.435 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.394 -9.386 13.246 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.885 -10.394 12.598 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.310 -10.367 14.429 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.841 -12.829 12.860 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.110 -12.268 15.807 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.041 -14.730 14.238 1.00 0.00 H new ATOM 0 HH TYR A 10 1.454 -15.447 15.713 1.00 0.00 H new ATOM 162 N LYS A 11 -0.449 -10.798 9.359 1.00 0.00 N ATOM 163 CA LYS A 11 -1.082 -11.690 8.403 1.00 0.00 C ATOM 164 C LYS A 11 -0.160 -11.875 7.196 1.00 0.00 C ATOM 165 O LYS A 11 0.464 -12.916 7.005 1.00 0.00 O ATOM 166 CB LYS A 11 -2.478 -11.181 8.038 1.00 0.00 C ATOM 167 CG LYS A 11 -3.557 -11.922 8.831 1.00 0.00 C ATOM 168 CD LYS A 11 -3.461 -13.432 8.609 1.00 0.00 C ATOM 169 CE LYS A 11 -4.839 -14.089 8.707 1.00 0.00 C ATOM 170 NZ LYS A 11 -4.958 -14.858 9.966 1.00 0.00 N ATOM 0 H LYS A 11 -0.566 -9.805 9.158 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.232 -12.676 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.543 -10.112 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.650 -11.315 6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.450 -11.699 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.543 -11.568 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.027 -13.632 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.792 -13.870 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.616 -13.326 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.995 -14.750 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.899 -15.297 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.228 -15.599 9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.830 -14.219 10.777 1.00 0.00 H new ATOM 184 N TYR A 12 -0.089 -10.826 6.374 1.00 0.00 N ATOM 185 CA TYR A 12 0.739 -10.842 5.185 1.00 0.00 C ATOM 186 C TYR A 12 2.149 -11.288 5.544 1.00 0.00 C ATOM 187 O TYR A 12 2.870 -11.748 4.661 1.00 0.00 O ATOM 188 CB TYR A 12 0.755 -9.451 4.559 1.00 0.00 C ATOM 189 CG TYR A 12 -0.573 -9.040 3.969 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.977 -9.551 2.729 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.402 -8.149 4.662 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.208 -9.171 2.183 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.633 -7.769 4.115 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.036 -8.280 2.876 1.00 0.00 C ATOM 195 OH TYR A 12 -4.236 -7.910 2.343 1.00 0.00 O ATOM 0 H TYR A 12 -0.600 -9.955 6.518 1.00 0.00 H new ATOM 0 HA TYR A 12 0.330 -11.547 4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.048 -8.724 5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.515 -9.421 3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.338 -10.238 2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.091 -7.755 5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.519 -9.565 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.272 -7.081 4.649 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.179 -7.928 1.365 1.00 0.00 H new ATOM 205 N THR A 13 2.511 -11.148 6.811 1.00 0.00 N ATOM 206 CA THR A 13 3.836 -11.543 7.259 1.00 0.00 C ATOM 207 C THR A 13 3.930 -13.066 7.367 1.00 0.00 C ATOM 208 O THR A 13 4.892 -13.667 6.893 1.00 0.00 O ATOM 209 CB THR A 13 4.124 -10.821 8.577 1.00 0.00 C ATOM 210 OG1 THR A 13 4.269 -9.455 8.200 1.00 0.00 O ATOM 211 CG2 THR A 13 5.488 -11.193 9.162 1.00 0.00 C ATOM 0 H THR A 13 1.910 -10.767 7.541 1.00 0.00 H new ATOM 0 HA THR A 13 4.601 -11.252 6.539 1.00 0.00 H new ATOM 0 HB THR A 13 3.342 -11.058 9.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.509 -8.939 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.643 -10.653 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.522 -12.266 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.273 -10.925 8.454 1.00 0.00 H new ATOM 219 N ASN A 14 2.918 -13.646 7.995 1.00 0.00 N ATOM 220 CA ASN A 14 2.874 -15.088 8.172 1.00 0.00 C ATOM 221 C ASN A 14 2.850 -15.765 6.800 1.00 0.00 C ATOM 222 O ASN A 14 3.664 -16.645 6.524 1.00 0.00 O ATOM 223 CB ASN A 14 1.615 -15.512 8.930 1.00 0.00 C ATOM 224 CG ASN A 14 1.799 -16.888 9.573 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.362 -17.802 8.994 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.296 -16.983 10.801 1.00 0.00 N ATOM 0 H ASN A 14 2.122 -13.144 8.388 1.00 0.00 H new ATOM 0 HA ASN A 14 3.755 -15.385 8.742 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.384 -14.775 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.766 -15.537 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.370 -17.860 11.316 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.837 -16.178 11.228 1.00 0.00 H new ATOM 233 N ILE A 15 1.909 -15.329 5.976 1.00 0.00 N ATOM 234 CA ILE A 15 1.768 -15.882 4.640 1.00 0.00 C ATOM 235 C ILE A 15 3.118 -15.817 3.922 1.00 0.00 C ATOM 236 O ILE A 15 3.526 -16.779 3.273 1.00 0.00 O ATOM 237 CB ILE A 15 0.636 -15.182 3.886 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.730 -15.697 4.346 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.820 -15.315 2.373 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.699 -14.539 4.589 1.00 0.00 C ATOM 0 H ILE A 15 1.236 -14.598 6.208 1.00 0.00 H new ATOM 0 HA ILE A 15 1.483 -16.933 4.691 1.00 0.00 H new ATOM 0 HB ILE A 15 0.675 -14.119 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.142 -16.369 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.614 -16.277 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.002 -14.809 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.767 -14.862 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.823 -16.370 2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.662 -14.933 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.296 -13.883 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.831 -13.975 3.665 1.00 0.00 H new ATOM 252 N ALA A 16 3.772 -14.674 4.062 1.00 0.00 N ATOM 253 CA ALA A 16 5.067 -14.471 3.434 1.00 0.00 C ATOM 254 C ALA A 16 6.062 -15.495 3.984 1.00 0.00 C ATOM 255 O ALA A 16 6.894 -16.017 3.244 1.00 0.00 O ATOM 256 CB ALA A 16 5.526 -13.030 3.665 1.00 0.00 C ATOM 0 H ALA A 16 3.430 -13.878 4.601 1.00 0.00 H new ATOM 0 HA ALA A 16 4.999 -14.623 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.497 -12.878 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.800 -12.343 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.608 -12.841 4.735 1.00 0.00 H new ATOM 262 N HIS A 17 5.942 -15.752 5.279 1.00 0.00 N ATOM 263 CA HIS A 17 6.821 -16.704 5.937 1.00 0.00 C ATOM 264 C HIS A 17 6.414 -18.128 5.552 1.00 0.00 C ATOM 265 O HIS A 17 7.252 -19.027 5.510 1.00 0.00 O ATOM 266 CB HIS A 17 6.831 -16.479 7.450 1.00 0.00 C ATOM 267 CG HIS A 17 8.104 -16.924 8.129 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.359 -16.527 7.702 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.302 -17.734 9.208 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.265 -17.081 8.495 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.608 -17.829 9.427 1.00 0.00 N ATOM 0 H HIS A 17 5.250 -15.318 5.889 1.00 0.00 H new ATOM 0 HA HIS A 17 7.846 -16.552 5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.676 -15.419 7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.990 -17.013 7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.528 -18.216 9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.335 -16.961 8.417 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.048 -18.372 10.170 1.00 0.00 H new ATOM 279 N SER A 18 5.127 -18.289 5.281 1.00 0.00 N ATOM 280 CA SER A 18 4.598 -19.588 4.901 1.00 0.00 C ATOM 281 C SER A 18 5.091 -19.965 3.503 1.00 0.00 C ATOM 282 O SER A 18 4.853 -21.078 3.036 1.00 0.00 O ATOM 283 CB SER A 18 3.069 -19.595 4.945 1.00 0.00 C ATOM 284 OG SER A 18 2.529 -20.852 4.547 1.00 0.00 O ATOM 0 H SER A 18 4.435 -17.541 5.317 1.00 0.00 H new ATOM 0 HA SER A 18 4.958 -20.326 5.617 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.734 -19.360 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.684 -18.812 4.292 1.00 0.00 H new ATOM 0 HG SER A 18 3.193 -21.340 4.017 1.00 0.00 H new ATOM 290 N ALA A 19 5.768 -19.016 2.873 1.00 0.00 N ATOM 291 CA ALA A 19 6.296 -19.235 1.537 1.00 0.00 C ATOM 292 C ALA A 19 7.825 -19.203 1.586 1.00 0.00 C ATOM 293 O ALA A 19 8.487 -20.034 0.967 1.00 0.00 O ATOM 294 CB ALA A 19 5.722 -18.186 0.583 1.00 0.00 C ATOM 0 H ALA A 19 5.963 -18.094 3.263 1.00 0.00 H new ATOM 0 HA ALA A 19 5.998 -20.214 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.118 -18.350 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.635 -18.269 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.003 -17.190 0.926 1.00 0.00 H new ATOM 300 N ASN A 20 8.341 -18.235 2.329 1.00 0.00 N ATOM 301 CA ASN A 20 9.780 -18.084 2.467 1.00 0.00 C ATOM 302 C ASN A 20 10.145 -18.051 3.953 1.00 0.00 C ATOM 303 O ASN A 20 9.718 -17.183 4.710 1.00 0.00 O ATOM 304 CB ASN A 20 10.260 -16.777 1.833 1.00 0.00 C ATOM 305 CG ASN A 20 11.787 -16.690 1.846 1.00 0.00 C ATOM 306 OD1 ASN A 20 12.480 -17.552 2.360 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.272 -15.602 1.253 1.00 0.00 N ATOM 0 H ASN A 20 7.789 -17.548 2.842 1.00 0.00 H new ATOM 0 HA ASN A 20 10.257 -18.925 1.964 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.897 -16.711 0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.839 -15.930 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.280 -15.451 1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.636 -14.919 0.842 1.00 0.00 H new ATOM 314 N PRO A 21 10.956 -19.032 4.356 1.00 0.00 N ATOM 315 CA PRO A 21 11.429 -19.192 5.714 1.00 0.00 C ATOM 316 C PRO A 21 12.571 -18.221 5.975 1.00 0.00 C ATOM 317 O PRO A 21 13.527 -18.597 6.652 1.00 0.00 O ATOM 318 CB PRO A 21 11.911 -20.639 5.792 1.00 0.00 C ATOM 319 CG PRO A 21 12.424 -20.878 4.374 1.00 0.00 C ATOM 320 CD PRO A 21 11.477 -20.069 3.492 1.00 0.00 C ATOM 0 HA PRO A 21 10.660 -18.985 6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.696 -20.768 6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.105 -21.324 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.455 -20.544 4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.402 -21.937 4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.001 -19.644 2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.676 -20.693 3.097 1.00 0.00 H new ATOM 328 N MET A 22 12.457 -17.013 5.444 1.00 0.00 N ATOM 329 CA MET A 22 13.493 -16.011 5.631 1.00 0.00 C ATOM 330 C MET A 22 12.883 -14.623 5.834 1.00 0.00 C ATOM 331 O MET A 22 13.427 -13.603 5.418 1.00 0.00 O ATOM 332 CB MET A 22 14.412 -15.992 4.408 1.00 0.00 C ATOM 333 CG MET A 22 14.978 -17.385 4.126 1.00 0.00 C ATOM 334 SD MET A 22 16.720 -17.271 3.750 1.00 0.00 S ATOM 335 CE MET A 22 17.399 -18.092 5.182 1.00 0.00 C ATOM 0 H MET A 22 11.662 -16.705 4.884 1.00 0.00 H new ATOM 0 HA MET A 22 14.065 -16.269 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.859 -15.637 3.538 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.229 -15.290 4.574 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.826 -18.031 4.991 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.446 -17.841 3.291 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.486 -18.110 5.110 1.00 0.00 H new ATOM 0 HE2 MET A 22 17.104 -17.555 6.083 1.00 0.00 H new ATOM 0 HE3 MET A 22 17.022 -19.114 5.229 1.00 0.00 H new ATOM 345 N TYR A 23 11.722 -14.608 6.494 1.00 0.00 N ATOM 346 CA TYR A 23 11.016 -13.372 6.766 1.00 0.00 C ATOM 347 C TYR A 23 10.436 -13.408 8.173 1.00 0.00 C ATOM 348 O TYR A 23 9.481 -14.147 8.403 1.00 0.00 O ATOM 349 CB TYR A 23 9.911 -13.181 5.731 1.00 0.00 C ATOM 350 CG TYR A 23 9.422 -11.756 5.627 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.306 -10.739 5.246 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.086 -11.453 5.911 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.852 -9.418 5.150 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.632 -10.132 5.815 1.00 0.00 C ATOM 355 CZ TYR A 23 8.516 -9.114 5.435 1.00 0.00 C ATOM 356 OH TYR A 23 8.074 -7.827 5.342 1.00 0.00 O ATOM 0 H TYR A 23 11.257 -15.445 6.847 1.00 0.00 H new ATOM 0 HA TYR A 23 11.707 -12.532 6.701 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.278 -13.503 4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.071 -13.827 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.337 -10.973 5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.405 -12.238 6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.533 -8.633 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.601 -9.898 6.034 1.00 0.00 H new ATOM 0 HH TYR A 23 7.122 -7.791 5.572 1.00 0.00 H new ATOM 366 N GLU A 24 11.012 -12.624 9.072 1.00 0.00 N ATOM 367 CA GLU A 24 10.536 -12.583 10.444 1.00 0.00 C ATOM 368 C GLU A 24 9.580 -11.403 10.639 1.00 0.00 C ATOM 369 O GLU A 24 8.499 -11.563 11.202 1.00 0.00 O ATOM 370 CB GLU A 24 11.705 -12.509 11.429 1.00 0.00 C ATOM 371 CG GLU A 24 12.423 -13.857 11.528 1.00 0.00 C ATOM 372 CD GLU A 24 12.022 -14.599 12.805 1.00 0.00 C ATOM 373 OE1 GLU A 24 12.427 -14.124 13.888 1.00 0.00 O ATOM 374 OE2 GLU A 24 11.320 -15.624 12.669 1.00 0.00 O ATOM 0 H GLU A 24 11.804 -12.012 8.877 1.00 0.00 H new ATOM 0 HA GLU A 24 9.991 -13.505 10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.408 -11.741 11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.339 -12.215 12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.181 -14.467 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.502 -13.700 11.518 1.00 0.00 H new ATOM 381 N ALA A 25 10.015 -10.246 10.163 1.00 0.00 N ATOM 382 CA ALA A 25 9.212 -9.041 10.278 1.00 0.00 C ATOM 383 C ALA A 25 9.756 -7.977 9.322 1.00 0.00 C ATOM 384 O ALA A 25 10.931 -7.963 8.962 1.00 0.00 O ATOM 385 CB ALA A 25 9.205 -8.568 11.733 1.00 0.00 C ATOM 0 H ALA A 25 10.913 -10.117 9.697 1.00 0.00 H new ATOM 0 HA ALA A 25 8.178 -9.241 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.602 -7.664 11.819 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.782 -9.347 12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.226 -8.355 12.051 1.00 0.00 H new ATOM 391 N PRO A 26 8.862 -7.075 8.913 1.00 0.00 N ATOM 392 CA PRO A 26 9.158 -5.982 8.012 1.00 0.00 C ATOM 393 C PRO A 26 10.372 -5.216 8.519 1.00 0.00 C ATOM 394 O PRO A 26 10.874 -5.544 9.593 1.00 0.00 O ATOM 395 CB PRO A 26 7.908 -5.105 8.035 1.00 0.00 C ATOM 396 CG PRO A 26 7.048 -5.597 9.224 1.00 0.00 C ATOM 397 CD PRO A 26 7.472 -7.062 9.316 1.00 0.00 C ATOM 0 HA PRO A 26 9.393 -6.317 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.173 -4.055 8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.358 -5.189 7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 26 7.263 -5.049 10.141 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.981 -5.490 9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.351 -7.445 10.329 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.866 -7.690 8.663 1.00 0.00 H new ATOM 405 N SER A 27 10.814 -4.230 7.754 1.00 0.00 N ATOM 406 CA SER A 27 11.967 -3.437 8.146 1.00 0.00 C ATOM 407 C SER A 27 11.752 -1.973 7.760 1.00 0.00 C ATOM 408 O SER A 27 12.710 -1.210 7.646 1.00 0.00 O ATOM 409 CB SER A 27 13.248 -3.973 7.503 1.00 0.00 C ATOM 410 OG SER A 27 14.165 -4.469 8.474 1.00 0.00 O ATOM 0 H SER A 27 10.395 -3.961 6.864 1.00 0.00 H new ATOM 0 HA SER A 27 12.078 -3.508 9.228 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.996 -4.769 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.724 -3.180 6.927 1.00 0.00 H new ATOM 0 HG SER A 27 14.969 -4.804 8.024 1.00 0.00 H new ATOM 416 N ILE A 28 10.488 -1.624 7.568 1.00 0.00 N ATOM 417 CA ILE A 28 10.134 -0.264 7.197 1.00 0.00 C ATOM 418 C ILE A 28 11.143 0.258 6.173 1.00 0.00 C ATOM 419 O ILE A 28 11.653 1.370 6.309 1.00 0.00 O ATOM 420 CB ILE A 28 10.010 0.616 8.443 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.295 0.576 9.273 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.782 0.228 9.268 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.303 1.686 10.325 1.00 0.00 C ATOM 0 H ILE A 28 9.696 -2.260 7.662 1.00 0.00 H new ATOM 0 HA ILE A 28 9.154 -0.241 6.720 1.00 0.00 H new ATOM 0 HB ILE A 28 9.868 1.647 8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.386 -0.394 9.762 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.159 0.685 8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.717 0.869 10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.884 0.351 8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.869 -0.812 9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.227 1.635 10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.236 2.656 9.831 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.451 1.560 10.994 1.00 0.00 H new ATOM 435 N THR A 29 11.401 -0.567 5.169 1.00 0.00 N ATOM 436 CA THR A 29 12.339 -0.202 4.122 1.00 0.00 C ATOM 437 C THR A 29 11.694 -0.371 2.745 1.00 0.00 C ATOM 438 O THR A 29 11.406 0.613 2.066 1.00 0.00 O ATOM 439 CB THR A 29 13.605 -1.042 4.307 1.00 0.00 C ATOM 440 OG1 THR A 29 14.066 -0.693 5.609 1.00 0.00 O ATOM 441 CG2 THR A 29 14.740 -0.604 3.379 1.00 0.00 C ATOM 0 H THR A 29 10.976 -1.488 5.059 1.00 0.00 H new ATOM 0 HA THR A 29 12.617 0.850 4.189 1.00 0.00 H new ATOM 0 HB THR A 29 13.374 -2.092 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.549 -1.184 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.614 -1.232 3.551 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.421 -0.703 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.995 0.436 3.582 1.00 0.00 H new ATOM 449 N ASP A 30 11.486 -1.626 2.374 1.00 0.00 N ATOM 450 CA ASP A 30 10.880 -1.936 1.090 1.00 0.00 C ATOM 451 C ASP A 30 9.755 -0.938 0.808 1.00 0.00 C ATOM 452 O ASP A 30 9.512 -0.581 -0.344 1.00 0.00 O ATOM 453 CB ASP A 30 10.276 -3.342 1.092 1.00 0.00 C ATOM 454 CG ASP A 30 10.781 -4.264 -0.020 1.00 0.00 C ATOM 455 OD1 ASP A 30 11.890 -3.987 -0.526 1.00 0.00 O ATOM 456 OD2 ASP A 30 10.047 -5.225 -0.337 1.00 0.00 O ATOM 0 H ASP A 30 11.726 -2.440 2.940 1.00 0.00 H new ATOM 0 HA ASP A 30 11.656 -1.878 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.485 -3.810 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.193 -3.256 1.008 1.00 0.00 H new ATOM 461 N GLY A 31 9.099 -0.517 1.879 1.00 0.00 N ATOM 462 CA GLY A 31 8.005 0.433 1.760 1.00 0.00 C ATOM 463 C GLY A 31 8.532 1.848 1.513 1.00 0.00 C ATOM 464 O GLY A 31 8.257 2.761 2.290 1.00 0.00 O ATOM 0 H GLY A 31 9.303 -0.816 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.349 0.137 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.405 0.418 2.670 1.00 0.00 H new ATOM 468 N LYS A 32 9.280 1.985 0.428 1.00 0.00 N ATOM 469 CA LYS A 32 9.848 3.273 0.068 1.00 0.00 C ATOM 470 C LYS A 32 10.164 3.287 -1.428 1.00 0.00 C ATOM 471 O LYS A 32 9.584 4.067 -2.182 1.00 0.00 O ATOM 472 CB LYS A 32 11.053 3.594 0.955 1.00 0.00 C ATOM 473 CG LYS A 32 10.829 4.889 1.738 1.00 0.00 C ATOM 474 CD LYS A 32 10.773 6.095 0.798 1.00 0.00 C ATOM 475 CE LYS A 32 9.588 7.001 1.140 1.00 0.00 C ATOM 476 NZ LYS A 32 9.912 8.413 0.838 1.00 0.00 N ATOM 0 H LYS A 32 9.506 1.225 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 32 9.127 4.071 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.228 2.771 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.948 3.687 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.899 4.820 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.633 5.024 2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.702 6.661 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.688 5.753 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.711 6.693 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.336 6.897 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.098 9.015 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.736 8.708 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.130 8.510 -0.174 1.00 0.00 H new ATOM 490 N ILE A 33 11.083 2.414 -1.814 1.00 0.00 N ATOM 491 CA ILE A 33 11.484 2.315 -3.207 1.00 0.00 C ATOM 492 C ILE A 33 10.359 1.661 -4.012 1.00 0.00 C ATOM 493 O ILE A 33 9.980 2.157 -5.072 1.00 0.00 O ATOM 494 CB ILE A 33 12.827 1.593 -3.329 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.947 2.405 -2.676 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.139 1.257 -4.789 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.107 1.499 -2.256 1.00 0.00 C ATOM 0 H ILE A 33 11.562 1.768 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 33 11.643 3.308 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 33 12.757 0.648 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.306 3.162 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.559 2.932 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.099 0.744 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.358 0.611 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.183 2.177 -5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.890 2.101 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.750 0.758 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.509 0.992 -3.133 1.00 0.00 H new ATOM 509 N PHE A 34 9.856 0.558 -3.477 1.00 0.00 N ATOM 510 CA PHE A 34 8.782 -0.169 -4.132 1.00 0.00 C ATOM 511 C PHE A 34 7.584 0.745 -4.399 1.00 0.00 C ATOM 512 O PHE A 34 6.762 0.460 -5.268 1.00 0.00 O ATOM 513 CB PHE A 34 8.353 -1.287 -3.180 1.00 0.00 C ATOM 514 CG PHE A 34 6.992 -1.901 -3.515 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.827 -2.597 -4.672 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.949 -1.752 -2.656 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.564 -3.168 -4.983 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.686 -2.322 -2.967 1.00 0.00 C ATOM 519 CZ PHE A 34 4.520 -3.018 -4.124 1.00 0.00 C ATOM 0 H PHE A 34 10.173 0.150 -2.597 1.00 0.00 H new ATOM 0 HA PHE A 34 9.127 -0.560 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.108 -2.073 -3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.322 -0.893 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.656 -2.715 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.081 -1.200 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.433 -3.721 -5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.857 -2.203 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.559 -3.451 -4.360 1.00 0.00 H new ATOM 529 N PHE A 35 7.524 1.826 -3.635 1.00 0.00 N ATOM 530 CA PHE A 35 6.441 2.784 -3.779 1.00 0.00 C ATOM 531 C PHE A 35 6.930 4.069 -4.451 1.00 0.00 C ATOM 532 O PHE A 35 6.201 5.058 -4.512 1.00 0.00 O ATOM 533 CB PHE A 35 5.948 3.116 -2.369 1.00 0.00 C ATOM 534 CG PHE A 35 4.865 4.196 -2.326 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.590 3.895 -2.692 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.177 5.457 -1.923 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.585 4.897 -2.652 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.171 6.459 -1.883 1.00 0.00 C ATOM 539 CZ PHE A 35 2.896 6.157 -2.249 1.00 0.00 C ATOM 0 H PHE A 35 8.207 2.060 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 35 5.650 2.361 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.559 2.208 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.796 3.442 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.342 2.894 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.190 5.696 -1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.573 4.658 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.418 7.460 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.131 6.919 -2.219 1.00 0.00 H new ATOM 549 N ASN A 36 8.160 4.012 -4.938 1.00 0.00 N ATOM 550 CA ASN A 36 8.755 5.159 -5.604 1.00 0.00 C ATOM 551 C ASN A 36 9.670 4.671 -6.729 1.00 0.00 C ATOM 552 O ASN A 36 10.623 5.356 -7.099 1.00 0.00 O ATOM 553 CB ASN A 36 9.600 5.983 -4.630 1.00 0.00 C ATOM 554 CG ASN A 36 8.738 7.002 -3.883 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.812 8.199 -4.107 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.918 6.463 -2.985 1.00 0.00 N ATOM 0 H ASN A 36 8.761 3.190 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 36 7.948 5.779 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.087 5.320 -3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.390 6.500 -5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.301 7.060 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.906 5.452 -2.847 1.00 0.00 H new ATOM 563 N ARG A 37 9.349 3.492 -7.241 1.00 0.00 N ATOM 564 CA ARG A 37 10.131 2.906 -8.316 1.00 0.00 C ATOM 565 C ARG A 37 9.347 2.955 -9.630 1.00 0.00 C ATOM 566 O ARG A 37 8.508 2.094 -9.889 1.00 0.00 O ATOM 567 CB ARG A 37 10.497 1.454 -8.003 1.00 0.00 C ATOM 568 CG ARG A 37 11.631 0.967 -8.906 1.00 0.00 C ATOM 569 CD ARG A 37 12.996 1.288 -8.293 1.00 0.00 C ATOM 570 NE ARG A 37 13.259 2.742 -8.378 1.00 0.00 N ATOM 571 CZ ARG A 37 13.497 3.397 -9.523 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.506 2.732 -10.686 1.00 0.00 N ATOM 573 NH2 ARG A 37 13.725 4.717 -9.504 1.00 0.00 N ATOM 0 H ARG A 37 8.558 2.927 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 37 11.048 3.487 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.797 1.368 -6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.622 0.818 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.541 -0.108 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.548 1.438 -9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.021 0.966 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.778 0.737 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 37 13.259 3.279 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.332 1.727 -10.700 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.687 3.231 -11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.717 5.223 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.906 5.216 -10.375 1.00 0.00 H new ATOM 587 N LYS A 38 9.649 3.971 -10.424 1.00 0.00 N ATOM 588 CA LYS A 38 8.983 4.144 -11.704 1.00 0.00 C ATOM 589 C LYS A 38 9.014 2.821 -12.472 1.00 0.00 C ATOM 590 O LYS A 38 9.988 2.521 -13.161 1.00 0.00 O ATOM 591 CB LYS A 38 9.596 5.316 -12.473 1.00 0.00 C ATOM 592 CG LYS A 38 9.015 5.409 -13.885 1.00 0.00 C ATOM 593 CD LYS A 38 8.013 6.561 -13.991 1.00 0.00 C ATOM 594 CE LYS A 38 8.715 7.913 -13.842 1.00 0.00 C ATOM 595 NZ LYS A 38 9.839 8.021 -14.799 1.00 0.00 N ATOM 0 H LYS A 38 10.346 4.683 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 38 7.935 4.404 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.408 6.246 -11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.678 5.193 -12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.820 5.556 -14.605 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.524 4.470 -14.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.502 6.516 -14.953 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.250 6.456 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.003 8.720 -14.015 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.085 8.027 -12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.085 9.022 -14.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.663 7.509 -14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.559 7.608 -15.711 1.00 0.00 H new ATOM 609 N PHE A 39 7.935 2.065 -12.328 1.00 0.00 N ATOM 610 CA PHE A 39 7.826 0.781 -13.000 1.00 0.00 C ATOM 611 C PHE A 39 6.954 0.890 -14.253 1.00 0.00 C ATOM 612 O PHE A 39 6.223 1.865 -14.422 1.00 0.00 O ATOM 613 CB PHE A 39 7.164 -0.184 -12.015 1.00 0.00 C ATOM 614 CG PHE A 39 5.824 0.308 -11.467 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.702 0.219 -12.231 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.753 0.835 -10.215 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.458 0.677 -11.722 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.509 1.293 -9.706 1.00 0.00 C ATOM 619 CZ PHE A 39 3.388 1.204 -10.470 1.00 0.00 C ATOM 0 H PHE A 39 7.129 2.317 -11.756 1.00 0.00 H new ATOM 0 HA PHE A 39 8.814 0.436 -13.306 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.012 -1.144 -12.509 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.844 -0.359 -11.181 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.757 -0.200 -13.225 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.643 0.905 -9.608 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.567 0.607 -12.329 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.453 1.712 -8.712 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.442 1.552 -10.083 1.00 0.00 H new ATOM 629 N LYS A 40 7.060 -0.124 -15.099 1.00 0.00 N ATOM 630 CA LYS A 40 6.290 -0.155 -16.331 1.00 0.00 C ATOM 631 C LYS A 40 5.142 -1.155 -16.185 1.00 0.00 C ATOM 632 O LYS A 40 5.268 -2.151 -15.474 1.00 0.00 O ATOM 633 CB LYS A 40 7.203 -0.436 -17.526 1.00 0.00 C ATOM 634 CG LYS A 40 7.433 0.833 -18.350 1.00 0.00 C ATOM 635 CD LYS A 40 7.857 0.488 -19.780 1.00 0.00 C ATOM 636 CE LYS A 40 8.992 1.400 -20.250 1.00 0.00 C ATOM 637 NZ LYS A 40 10.218 0.611 -20.504 1.00 0.00 N ATOM 0 H LYS A 40 7.668 -0.931 -14.956 1.00 0.00 H new ATOM 0 HA LYS A 40 5.841 0.819 -16.525 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.159 -0.824 -17.175 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.758 -1.207 -18.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.520 1.428 -18.371 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.201 1.444 -17.876 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.179 -0.552 -19.827 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.004 0.588 -20.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.694 1.923 -21.159 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.192 2.161 -19.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.979 1.245 -20.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.510 0.132 -19.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.028 -0.099 -21.240 1.00 0.00 H new ATOM 651 N THR A 41 4.048 -0.856 -16.871 1.00 0.00 N ATOM 652 CA THR A 41 2.879 -1.717 -16.826 1.00 0.00 C ATOM 653 C THR A 41 2.737 -2.491 -18.139 1.00 0.00 C ATOM 654 O THR A 41 3.178 -2.060 -19.201 1.00 0.00 O ATOM 655 CB THR A 41 1.663 -0.848 -16.499 1.00 0.00 C ATOM 656 OG1 THR A 41 1.436 -0.105 -17.694 1.00 0.00 O ATOM 657 CG2 THR A 41 1.974 0.221 -15.449 1.00 0.00 C ATOM 0 H THR A 41 3.947 -0.030 -17.461 1.00 0.00 H new ATOM 0 HA THR A 41 2.975 -2.473 -16.047 1.00 0.00 H new ATOM 0 HB THR A 41 0.849 -1.480 -16.144 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.047 0.660 -17.724 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.078 0.810 -15.253 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.301 -0.259 -14.527 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.764 0.875 -15.818 1.00 0.00 H new ATOM 665 N PRO A 42 2.100 -3.660 -18.038 1.00 0.00 N ATOM 666 CA PRO A 42 1.853 -4.553 -19.150 1.00 0.00 C ATOM 667 C PRO A 42 0.821 -3.934 -20.081 1.00 0.00 C ATOM 668 O PRO A 42 0.537 -4.519 -21.126 1.00 0.00 O ATOM 669 CB PRO A 42 1.317 -5.833 -18.512 1.00 0.00 C ATOM 670 CG PRO A 42 0.581 -5.278 -17.238 1.00 0.00 C ATOM 671 CD PRO A 42 1.568 -4.197 -16.804 1.00 0.00 C ATOM 0 HA PRO A 42 2.745 -4.746 -19.746 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.637 -6.367 -19.176 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.117 -6.526 -18.252 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.404 -4.873 -17.470 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.439 -6.042 -16.474 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.073 -3.423 -16.217 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.360 -4.612 -16.180 1.00 0.00 H new ATOM 679 N SER A 43 0.285 -2.785 -19.695 1.00 0.00 N ATOM 680 CA SER A 43 -0.711 -2.112 -20.511 1.00 0.00 C ATOM 681 C SER A 43 -0.023 -1.201 -21.530 1.00 0.00 C ATOM 682 O SER A 43 -0.665 -0.699 -22.452 1.00 0.00 O ATOM 683 CB SER A 43 -1.678 -1.304 -19.645 1.00 0.00 C ATOM 684 OG SER A 43 -1.120 -0.056 -19.243 1.00 0.00 O ATOM 0 H SER A 43 0.522 -2.303 -18.828 1.00 0.00 H new ATOM 0 HA SER A 43 -1.288 -2.870 -21.041 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.600 -1.127 -20.199 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.944 -1.884 -18.761 1.00 0.00 H new ATOM 0 HG SER A 43 -0.299 -0.214 -18.732 1.00 0.00 H new ATOM 690 N GLY A 44 1.273 -1.014 -21.330 1.00 0.00 N ATOM 691 CA GLY A 44 2.054 -0.172 -22.220 1.00 0.00 C ATOM 692 C GLY A 44 2.086 1.273 -21.719 1.00 0.00 C ATOM 693 O GLY A 44 1.518 2.165 -22.347 1.00 0.00 O ATOM 0 H GLY A 44 1.802 -1.431 -20.564 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.071 -0.558 -22.293 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.628 -0.204 -23.223 1.00 0.00 H new ATOM 697 N LYS A 45 2.758 1.461 -20.592 1.00 0.00 N ATOM 698 CA LYS A 45 2.872 2.783 -20.000 1.00 0.00 C ATOM 699 C LYS A 45 3.532 2.665 -18.624 1.00 0.00 C ATOM 700 O LYS A 45 3.331 1.679 -17.918 1.00 0.00 O ATOM 701 CB LYS A 45 1.508 3.476 -19.970 1.00 0.00 C ATOM 702 CG LYS A 45 0.401 2.492 -19.586 1.00 0.00 C ATOM 703 CD LYS A 45 -0.579 2.291 -20.743 1.00 0.00 C ATOM 704 CE LYS A 45 -2.016 2.177 -20.230 1.00 0.00 C ATOM 705 NZ LYS A 45 -2.858 3.250 -20.804 1.00 0.00 N ATOM 0 H LYS A 45 3.229 0.720 -20.073 1.00 0.00 H new ATOM 0 HA LYS A 45 3.514 3.419 -20.609 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.530 4.300 -19.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.293 3.907 -20.948 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.841 1.535 -19.307 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.134 2.864 -18.712 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.502 3.127 -21.439 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.314 1.390 -21.297 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.427 1.203 -20.495 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.026 2.241 -19.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.830 3.158 -20.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.474 4.177 -20.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.863 3.170 -21.841 1.00 0.00 H new ATOM 719 N GLU A 46 4.307 3.685 -18.286 1.00 0.00 N ATOM 720 CA GLU A 46 4.997 3.709 -17.008 1.00 0.00 C ATOM 721 C GLU A 46 4.130 4.392 -15.948 1.00 0.00 C ATOM 722 O GLU A 46 3.280 5.218 -16.275 1.00 0.00 O ATOM 723 CB GLU A 46 6.357 4.399 -17.132 1.00 0.00 C ATOM 724 CG GLU A 46 6.189 5.899 -17.383 1.00 0.00 C ATOM 725 CD GLU A 46 6.063 6.195 -18.879 1.00 0.00 C ATOM 726 OE1 GLU A 46 6.945 5.722 -19.627 1.00 0.00 O ATOM 727 OE2 GLU A 46 5.087 6.887 -19.240 1.00 0.00 O ATOM 0 H GLU A 46 4.472 4.501 -18.875 1.00 0.00 H new ATOM 0 HA GLU A 46 5.175 2.680 -16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.933 4.241 -16.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.923 3.951 -17.949 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.303 6.261 -16.861 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.043 6.438 -16.973 1.00 0.00 H new ATOM 734 N ALA A 47 4.376 4.022 -14.700 1.00 0.00 N ATOM 735 CA ALA A 47 3.628 4.588 -13.590 1.00 0.00 C ATOM 736 C ALA A 47 4.433 4.421 -12.300 1.00 0.00 C ATOM 737 O ALA A 47 5.609 4.060 -12.340 1.00 0.00 O ATOM 738 CB ALA A 47 2.253 3.924 -13.509 1.00 0.00 C ATOM 0 H ALA A 47 5.083 3.337 -14.433 1.00 0.00 H new ATOM 0 HA ALA A 47 3.466 5.655 -13.742 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.692 4.349 -12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.710 4.097 -14.438 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.375 2.852 -13.355 1.00 0.00 H new ATOM 744 N ALA A 48 3.769 4.693 -11.187 1.00 0.00 N ATOM 745 CA ALA A 48 4.409 4.577 -9.887 1.00 0.00 C ATOM 746 C ALA A 48 3.349 4.699 -8.790 1.00 0.00 C ATOM 747 O ALA A 48 2.304 5.313 -8.997 1.00 0.00 O ATOM 748 CB ALA A 48 5.503 5.638 -9.760 1.00 0.00 C ATOM 0 H ALA A 48 2.795 4.993 -11.158 1.00 0.00 H new ATOM 0 HA ALA A 48 4.886 3.603 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.983 5.551 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.245 5.491 -10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.062 6.630 -9.860 1.00 0.00 H new ATOM 754 N CYS A 49 3.656 4.103 -7.647 1.00 0.00 N ATOM 755 CA CYS A 49 2.743 4.137 -6.517 1.00 0.00 C ATOM 756 C CYS A 49 2.719 5.562 -5.961 1.00 0.00 C ATOM 757 O CYS A 49 1.896 5.885 -5.106 1.00 0.00 O ATOM 758 CB CYS A 49 3.130 3.114 -5.446 1.00 0.00 C ATOM 759 SG CYS A 49 3.425 1.421 -6.074 1.00 0.00 S ATOM 0 H CYS A 49 4.524 3.594 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 49 1.742 3.860 -6.847 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.031 3.461 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.339 3.076 -4.697 1.00 0.00 H new ATOM 0 HG CYS A 49 4.640 1.058 -5.789 1.00 0.00 H new ATOM 764 N ALA A 50 3.631 6.377 -6.471 1.00 0.00 N ATOM 765 CA ALA A 50 3.724 7.761 -6.036 1.00 0.00 C ATOM 766 C ALA A 50 3.147 8.672 -7.122 1.00 0.00 C ATOM 767 O ALA A 50 3.169 9.894 -6.988 1.00 0.00 O ATOM 768 CB ALA A 50 5.180 8.096 -5.708 1.00 0.00 C ATOM 0 H ALA A 50 4.312 6.106 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 50 3.141 7.918 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.250 9.134 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.534 7.441 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.795 7.953 -6.596 1.00 0.00 H new ATOM 774 N SER A 51 2.644 8.041 -8.173 1.00 0.00 N ATOM 775 CA SER A 51 2.062 8.779 -9.281 1.00 0.00 C ATOM 776 C SER A 51 0.618 9.163 -8.953 1.00 0.00 C ATOM 777 O SER A 51 0.046 10.045 -9.591 1.00 0.00 O ATOM 778 CB SER A 51 2.114 7.964 -10.574 1.00 0.00 C ATOM 779 OG SER A 51 2.928 8.585 -11.565 1.00 0.00 O ATOM 0 H SER A 51 2.628 7.027 -8.281 1.00 0.00 H new ATOM 0 HA SER A 51 2.647 9.686 -9.432 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.501 6.968 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.104 7.836 -10.963 1.00 0.00 H new ATOM 0 HG SER A 51 2.937 8.033 -12.374 1.00 0.00 H new ATOM 785 N CYS A 52 0.069 8.481 -7.958 1.00 0.00 N ATOM 786 CA CYS A 52 -1.297 8.740 -7.537 1.00 0.00 C ATOM 787 C CYS A 52 -1.288 9.050 -6.040 1.00 0.00 C ATOM 788 O CYS A 52 -1.919 10.005 -5.590 1.00 0.00 O ATOM 789 CB CYS A 52 -2.223 7.568 -7.872 1.00 0.00 C ATOM 790 SG CYS A 52 -2.538 7.514 -9.674 1.00 0.00 S ATOM 0 H CYS A 52 0.546 7.749 -7.431 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.692 9.598 -8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.771 6.632 -7.545 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.165 7.672 -7.333 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.323 6.515 -9.948 1.00 0.00 H new ATOM 795 N HIS A 53 -0.559 8.218 -5.296 1.00 0.00 N ATOM 796 CA HIS A 53 -0.431 8.355 -3.849 1.00 0.00 C ATOM 797 C HIS A 53 0.802 9.215 -3.515 1.00 0.00 C ATOM 798 O HIS A 53 1.278 9.200 -2.381 1.00 0.00 O ATOM 799 CB HIS A 53 -0.414 6.955 -3.217 1.00 0.00 C ATOM 800 CG HIS A 53 -1.530 6.017 -3.616 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.819 6.309 -3.424 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.502 4.775 -4.206 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.567 5.290 -3.876 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.803 4.316 -4.370 1.00 0.00 N ATOM 0 H HIS A 53 -0.040 7.429 -5.683 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.284 8.881 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.535 6.480 -3.467 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.437 7.070 -2.133 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.177 7.166 -3.003 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.609 4.241 -4.496 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.646 5.263 -3.844 1.00 0.00 H new ATOM 812 N THR A 54 1.277 9.939 -4.518 1.00 0.00 N ATOM 813 CA THR A 54 2.436 10.796 -4.339 1.00 0.00 C ATOM 814 C THR A 54 3.575 10.021 -3.673 1.00 0.00 C ATOM 815 O THR A 54 3.386 8.887 -3.237 1.00 0.00 O ATOM 816 CB THR A 54 1.995 12.029 -3.548 1.00 0.00 C ATOM 817 OG1 THR A 54 1.402 11.491 -2.369 1.00 0.00 O ATOM 818 CG2 THR A 54 0.852 12.784 -4.228 1.00 0.00 C ATOM 0 H THR A 54 0.880 9.949 -5.457 1.00 0.00 H new ATOM 0 HA THR A 54 2.831 11.132 -5.298 1.00 0.00 H new ATOM 0 HB THR A 54 2.845 12.699 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.962 10.765 -2.024 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.578 13.650 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.172 13.116 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.010 12.125 -4.329 1.00 0.00 H new ATOM 826 N ASN A 55 4.732 10.665 -3.615 1.00 0.00 N ATOM 827 CA ASN A 55 5.900 10.050 -3.009 1.00 0.00 C ATOM 828 C ASN A 55 5.549 9.578 -1.597 1.00 0.00 C ATOM 829 O ASN A 55 6.189 8.673 -1.064 1.00 0.00 O ATOM 830 CB ASN A 55 7.054 11.050 -2.900 1.00 0.00 C ATOM 831 CG ASN A 55 6.601 12.336 -2.205 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.508 12.417 -0.991 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.326 13.333 -3.040 1.00 0.00 N ATOM 0 H ASN A 55 4.885 11.606 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 55 6.205 9.213 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.877 10.602 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.432 11.284 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.016 14.233 -2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.425 13.198 -4.046 1.00 0.00 H new ATOM 840 N ASN A 56 4.532 10.212 -1.031 1.00 0.00 N ATOM 841 CA ASN A 56 4.087 9.868 0.308 1.00 0.00 C ATOM 842 C ASN A 56 2.567 9.693 0.308 1.00 0.00 C ATOM 843 O ASN A 56 1.809 10.580 -0.078 1.00 0.00 O ATOM 844 CB ASN A 56 4.436 10.974 1.306 1.00 0.00 C ATOM 845 CG ASN A 56 4.754 10.390 2.684 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.326 9.321 2.816 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.353 11.150 3.699 1.00 0.00 N ATOM 0 H ASN A 56 4.004 10.962 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 56 4.588 8.946 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.293 11.541 0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.603 11.672 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.519 10.848 4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.879 12.035 3.517 1.00 0.00 H new ATOM 854 N PRO A 57 2.134 8.513 0.755 1.00 0.00 N ATOM 855 CA PRO A 57 0.740 8.135 0.843 1.00 0.00 C ATOM 856 C PRO A 57 0.061 8.940 1.942 1.00 0.00 C ATOM 857 O PRO A 57 -1.100 9.309 1.776 1.00 0.00 O ATOM 858 CB PRO A 57 0.759 6.647 1.186 1.00 0.00 C ATOM 859 CG PRO A 57 2.064 6.447 1.893 1.00 0.00 C ATOM 860 CD PRO A 57 2.998 7.448 1.217 1.00 0.00 C ATOM 0 HA PRO A 57 0.189 8.327 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.084 6.374 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.694 6.031 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.974 6.641 2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.426 5.425 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.747 7.822 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.536 6.988 0.388 1.00 0.00 H new ATOM 868 N ALA A 58 0.781 9.191 3.025 1.00 0.00 N ATOM 869 CA ALA A 58 0.227 9.950 4.133 1.00 0.00 C ATOM 870 C ALA A 58 -0.141 11.355 3.650 1.00 0.00 C ATOM 871 O ALA A 58 -0.843 12.090 4.343 1.00 0.00 O ATOM 872 CB ALA A 58 1.230 9.975 5.288 1.00 0.00 C ATOM 0 H ALA A 58 1.744 8.882 3.159 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.684 9.479 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.814 10.545 6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.435 8.955 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.156 10.443 4.955 1.00 0.00 H new ATOM 878 N ASN A 59 0.349 11.685 2.464 1.00 0.00 N ATOM 879 CA ASN A 59 0.081 12.989 1.880 1.00 0.00 C ATOM 880 C ASN A 59 -1.152 12.895 0.979 1.00 0.00 C ATOM 881 O ASN A 59 -1.685 11.808 0.762 1.00 0.00 O ATOM 882 CB ASN A 59 1.258 13.461 1.025 1.00 0.00 C ATOM 883 CG ASN A 59 1.335 14.989 0.995 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.382 15.691 1.290 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.521 15.464 0.624 1.00 0.00 N ATOM 0 H ASN A 59 0.930 11.072 1.892 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.080 13.697 2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.188 13.054 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.151 13.079 0.010 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.674 16.471 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.277 14.821 0.390 1.00 0.00 H new ATOM 892 N VAL A 60 -1.569 14.049 0.479 1.00 0.00 N ATOM 893 CA VAL A 60 -2.728 14.110 -0.394 1.00 0.00 C ATOM 894 C VAL A 60 -2.346 13.589 -1.781 1.00 0.00 C ATOM 895 O VAL A 60 -1.437 14.118 -2.418 1.00 0.00 O ATOM 896 CB VAL A 60 -3.286 15.535 -0.424 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.172 15.751 -1.652 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.047 15.853 0.864 1.00 0.00 C ATOM 0 H VAL A 60 -1.125 14.949 0.662 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.525 13.470 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.444 16.223 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.556 16.771 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.587 15.586 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.006 15.050 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.433 16.871 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.877 15.155 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.374 15.759 1.717 1.00 0.00 H new ATOM 908 N GLY A 61 -3.060 12.557 -2.208 1.00 0.00 N ATOM 909 CA GLY A 61 -2.807 11.958 -3.507 1.00 0.00 C ATOM 910 C GLY A 61 -3.681 12.600 -4.586 1.00 0.00 C ATOM 911 O GLY A 61 -4.394 13.566 -4.319 1.00 0.00 O ATOM 0 H GLY A 61 -3.814 12.121 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.755 12.077 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.006 10.887 -3.463 1.00 0.00 H new ATOM 915 N LYS A 62 -3.596 12.038 -5.783 1.00 0.00 N ATOM 916 CA LYS A 62 -4.370 12.544 -6.904 1.00 0.00 C ATOM 917 C LYS A 62 -4.466 11.462 -7.982 1.00 0.00 C ATOM 918 O LYS A 62 -3.465 10.838 -8.330 1.00 0.00 O ATOM 919 CB LYS A 62 -3.784 13.864 -7.408 1.00 0.00 C ATOM 920 CG LYS A 62 -4.438 14.288 -8.724 1.00 0.00 C ATOM 921 CD LYS A 62 -3.662 15.431 -9.380 1.00 0.00 C ATOM 922 CE LYS A 62 -3.490 16.603 -8.411 1.00 0.00 C ATOM 923 NZ LYS A 62 -3.943 17.865 -9.039 1.00 0.00 N ATOM 0 H LYS A 62 -3.003 11.237 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.388 12.774 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.931 14.641 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.709 13.758 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.481 13.437 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.466 14.601 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.684 15.074 -9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.188 15.767 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.061 16.417 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.444 16.690 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.820 18.650 -8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.381 18.049 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.947 17.784 -9.296 1.00 0.00 H new ATOM 937 N ASN A 63 -5.679 11.273 -8.479 1.00 0.00 N ATOM 938 CA ASN A 63 -5.918 10.277 -9.510 1.00 0.00 C ATOM 939 C ASN A 63 -5.638 10.893 -10.883 1.00 0.00 C ATOM 940 O ASN A 63 -6.136 11.974 -11.196 1.00 0.00 O ATOM 941 CB ASN A 63 -7.373 9.804 -9.492 1.00 0.00 C ATOM 942 CG ASN A 63 -7.610 8.805 -8.358 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.689 8.304 -7.734 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.894 8.544 -8.127 1.00 0.00 N ATOM 0 H ASN A 63 -6.507 11.792 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.261 9.429 -9.319 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.036 10.661 -9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.621 9.341 -10.447 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.157 7.890 -7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.616 8.998 -8.687 1.00 0.00 H new ATOM 951 N ILE A 64 -4.842 10.179 -11.665 1.00 0.00 N ATOM 952 CA ILE A 64 -4.490 10.642 -12.997 1.00 0.00 C ATOM 953 C ILE A 64 -5.595 10.245 -13.978 1.00 0.00 C ATOM 954 O ILE A 64 -5.457 10.440 -15.185 1.00 0.00 O ATOM 955 CB ILE A 64 -3.103 10.131 -13.392 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.172 8.684 -13.884 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.109 10.299 -12.242 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.820 8.229 -14.438 1.00 0.00 C ATOM 0 H ILE A 64 -4.431 9.283 -11.402 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.421 11.730 -13.017 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.739 10.736 -14.222 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.472 8.031 -13.064 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.935 8.595 -14.658 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.131 9.928 -12.549 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.031 11.354 -11.980 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.456 9.735 -11.376 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.896 7.197 -14.781 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.535 8.869 -15.273 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.065 8.296 -13.655 1.00 0.00 H new ATOM 970 N VAL A 65 -6.666 9.695 -13.424 1.00 0.00 N ATOM 971 CA VAL A 65 -7.793 9.269 -14.236 1.00 0.00 C ATOM 972 C VAL A 65 -8.736 10.455 -14.454 1.00 0.00 C ATOM 973 O VAL A 65 -9.051 10.800 -15.592 1.00 0.00 O ATOM 974 CB VAL A 65 -8.483 8.069 -13.584 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.779 7.717 -14.317 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.543 6.864 -13.523 1.00 0.00 C ATOM 0 H VAL A 65 -6.777 9.535 -12.423 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.454 8.938 -15.218 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.741 8.345 -12.562 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.249 6.861 -13.833 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.458 8.569 -14.286 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.555 7.470 -15.355 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.057 6.025 -13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.240 6.587 -14.533 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.660 7.120 -12.937 1.00 0.00 H new ATOM 986 N THR A 66 -9.158 11.045 -13.346 1.00 0.00 N ATOM 987 CA THR A 66 -10.058 12.185 -13.402 1.00 0.00 C ATOM 988 C THR A 66 -9.324 13.464 -12.995 1.00 0.00 C ATOM 989 O THR A 66 -9.598 14.538 -13.531 1.00 0.00 O ATOM 990 CB THR A 66 -11.270 11.874 -12.521 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.710 11.624 -11.235 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.943 10.552 -12.897 1.00 0.00 C ATOM 0 H THR A 66 -8.894 10.756 -12.404 1.00 0.00 H new ATOM 0 HA THR A 66 -10.412 12.360 -14.418 1.00 0.00 H new ATOM 0 HB THR A 66 -11.993 12.686 -12.600 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.427 11.415 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.797 10.379 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.283 10.598 -13.932 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.229 9.736 -12.786 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.407 13.308 -12.052 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.632 14.438 -11.568 1.00 0.00 C ATOM 1002 C GLY A 67 -8.414 15.230 -10.518 1.00 0.00 C ATOM 1003 O GLY A 67 -8.314 16.454 -10.457 1.00 0.00 O ATOM 0 H GLY A 67 -8.183 12.416 -11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.695 14.084 -11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.373 15.090 -12.402 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.175 14.498 -9.717 1.00 0.00 N ATOM 1008 CA LYS A 68 -9.973 15.117 -8.672 1.00 0.00 C ATOM 1009 C LYS A 68 -9.089 15.386 -7.453 1.00 0.00 C ATOM 1010 O LYS A 68 -8.432 16.423 -7.374 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.204 14.263 -8.363 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.335 14.553 -9.352 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.493 15.280 -8.665 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.830 14.921 -9.316 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.040 15.721 -10.543 1.00 0.00 N ATOM 0 H LYS A 68 -9.256 13.483 -9.771 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.357 16.081 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.939 13.207 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.544 14.463 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.957 15.160 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.693 13.619 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.517 15.016 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.335 16.357 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.849 13.859 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.644 15.102 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.952 15.465 -10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.043 16.733 -10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.273 15.528 -11.219 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.101 14.434 -6.531 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.309 14.555 -5.319 1.00 0.00 C ATOM 1031 C GLU A 69 -8.477 13.308 -4.449 1.00 0.00 C ATOM 1032 O GLU A 69 -9.592 12.961 -4.064 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.683 15.820 -4.544 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.021 15.645 -3.823 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.480 16.962 -3.192 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.111 18.017 -3.750 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.188 16.882 -2.165 1.00 0.00 O ATOM 0 H GLU A 69 -9.647 13.575 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.259 14.639 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.902 16.051 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.743 16.666 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.775 15.293 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.925 14.882 -3.051 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.352 12.669 -4.163 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.360 11.468 -3.345 1.00 0.00 C ATOM 1046 C ILE A 70 -6.789 11.794 -1.964 1.00 0.00 C ATOM 1047 O ILE A 70 -5.589 11.992 -1.784 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.632 10.328 -4.059 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.195 10.113 -5.465 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.669 9.046 -3.225 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.360 9.122 -5.444 1.00 0.00 C ATOM 0 H ILE A 70 -6.429 12.961 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.381 11.117 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.585 10.609 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.530 11.065 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.409 9.742 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.144 8.251 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.184 9.223 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.705 8.749 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.741 8.987 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.015 8.164 -5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.154 9.508 -4.805 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.688 11.845 -0.979 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.369 12.134 0.403 1.00 0.00 C ATOM 1065 C PRO A 71 -6.224 11.242 0.860 1.00 0.00 C ATOM 1066 O PRO A 71 -5.889 10.266 0.191 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.649 11.818 1.174 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.741 12.040 0.168 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.106 11.617 -1.155 1.00 0.00 C ATOM 0 HA PRO A 71 -7.051 13.165 0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.649 10.793 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.765 12.470 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.624 11.443 0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.058 13.083 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.313 10.570 -1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.500 12.202 -1.987 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.621 11.580 2.002 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.516 10.852 2.588 1.00 0.00 C ATOM 1079 C PRO A 72 -4.781 9.356 2.489 1.00 0.00 C ATOM 1080 O PRO A 72 -5.832 8.908 2.946 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.477 11.306 4.045 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.758 12.270 4.253 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.988 12.721 2.812 1.00 0.00 C ATOM 0 HA PRO A 72 -3.568 11.041 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.520 10.451 4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.551 11.838 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.616 11.739 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.547 13.104 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.028 13.004 2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.378 13.591 2.568 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.844 8.624 1.906 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.000 7.187 1.760 1.00 0.00 C ATOM 1093 C LEU A 73 -3.721 6.509 3.102 1.00 0.00 C ATOM 1094 O LEU A 73 -4.281 5.454 3.397 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.128 6.667 0.615 1.00 0.00 C ATOM 1096 CG LEU A 73 -2.916 5.152 0.568 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.103 4.452 -0.095 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -1.591 4.805 -0.114 1.00 0.00 C ATOM 0 H LEU A 73 -2.974 8.999 1.529 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.026 6.941 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.576 6.981 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.152 7.149 0.680 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.857 4.783 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.926 3.377 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.011 4.660 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.219 4.820 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.465 3.723 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.595 5.189 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.768 5.256 0.440 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.856 7.142 3.881 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.496 6.613 5.185 1.00 0.00 C ATOM 1112 C ALA A 74 -3.741 6.027 5.854 1.00 0.00 C ATOM 1113 O ALA A 74 -4.567 6.734 6.427 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.849 7.717 6.023 1.00 0.00 C ATOM 0 H ALA A 74 -2.394 8.017 3.634 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.766 5.810 5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.579 7.320 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.953 8.079 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.553 8.540 6.147 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.856 4.700 5.767 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.951 3.938 6.328 1.00 0.00 C ATOM 1122 C PRO A 75 -4.954 4.089 7.843 1.00 0.00 C ATOM 1123 O PRO A 75 -5.954 3.746 8.472 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.671 2.493 5.923 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.676 2.558 4.796 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.903 3.839 5.101 1.00 0.00 C ATOM 0 HA PRO A 75 -5.926 4.271 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.272 1.924 6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.586 1.993 5.606 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.023 1.685 4.782 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.168 2.604 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.041 3.638 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.526 4.299 4.188 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.857 4.588 8.392 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.756 4.771 9.830 1.00 0.00 C ATOM 1136 C ARG A 76 -4.072 6.221 10.204 1.00 0.00 C ATOM 1137 O ARG A 76 -4.810 6.474 11.155 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.356 4.415 10.334 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.411 3.864 11.760 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.249 4.399 12.600 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.420 3.997 14.014 1.00 0.00 N ATOM 1142 CZ ARG A 76 -0.861 4.638 15.050 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -0.092 5.714 14.836 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.070 4.202 16.300 1.00 0.00 N ATOM 0 H ARG A 76 -3.030 4.872 7.867 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.479 4.105 10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.904 3.676 9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.720 5.300 10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.358 4.141 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.375 2.775 11.734 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.304 4.014 12.216 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.205 5.486 12.525 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.999 3.181 14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.068 6.045 13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.333 6.202 15.624 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.655 3.382 16.463 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.644 4.690 17.088 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.498 7.135 9.436 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.709 8.553 9.675 1.00 0.00 C ATOM 1160 C VAL A 77 -5.211 8.842 9.710 1.00 0.00 C ATOM 1161 O VAL A 77 -5.679 9.612 10.547 1.00 0.00 O ATOM 1162 CB VAL A 77 -2.966 9.377 8.621 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.480 10.818 8.589 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.456 9.339 8.859 1.00 0.00 C ATOM 0 H VAL A 77 -2.887 6.922 8.648 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.300 8.842 10.643 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.163 8.929 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.935 11.382 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.543 10.820 8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.328 11.280 9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.952 9.932 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.232 9.749 9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.105 8.308 8.807 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.925 8.208 8.792 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.364 8.387 8.708 1.00 0.00 C ATOM 1176 C ASN A 78 -8.059 7.269 9.487 1.00 0.00 C ATOM 1177 O ASN A 78 -7.674 6.105 9.388 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.844 8.320 7.256 1.00 0.00 C ATOM 1179 CG ASN A 78 -6.865 9.033 6.322 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -5.873 9.607 6.740 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.198 8.966 5.036 1.00 0.00 N ATOM 0 H ASN A 78 -5.534 7.569 8.100 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.607 9.365 9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.950 7.279 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.830 8.778 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.609 9.411 4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.043 8.469 4.753 1.00 0.00 H new ATOM 1188 N THR A 79 -9.072 7.662 10.246 1.00 0.00 N ATOM 1189 CA THR A 79 -9.824 6.708 11.043 1.00 0.00 C ATOM 1190 C THR A 79 -10.910 6.044 10.194 1.00 0.00 C ATOM 1191 O THR A 79 -11.587 5.125 10.653 1.00 0.00 O ATOM 1192 CB THR A 79 -10.375 7.443 12.267 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.720 8.733 11.770 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.296 7.724 13.314 1.00 0.00 C ATOM 0 H THR A 79 -9.389 8.628 10.326 1.00 0.00 H new ATOM 0 HA THR A 79 -9.186 5.896 11.394 1.00 0.00 H new ATOM 0 HB THR A 79 -11.173 6.853 12.717 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.088 9.276 12.498 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.739 8.247 14.162 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.865 6.782 13.654 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.514 8.343 12.874 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.043 6.535 8.971 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.036 6.001 8.054 1.00 0.00 C ATOM 1204 C LYS A 80 -11.336 5.158 6.986 1.00 0.00 C ATOM 1205 O LYS A 80 -11.696 5.213 5.811 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.897 7.128 7.480 1.00 0.00 C ATOM 1207 CG LYS A 80 -14.218 7.250 8.242 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.476 8.699 8.663 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.177 8.899 10.150 1.00 0.00 C ATOM 1210 NZ LYS A 80 -15.399 9.313 10.874 1.00 0.00 N ATOM 0 H LYS A 80 -10.480 7.297 8.593 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.725 5.341 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.353 8.071 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.097 6.937 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.037 6.898 7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.194 6.610 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.855 9.370 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.514 8.962 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.791 7.973 10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.401 9.655 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.178 9.444 11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.751 10.208 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.128 8.579 10.772 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.348 4.396 7.433 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.594 3.543 6.530 1.00 0.00 C ATOM 1226 C ARG A 81 -9.248 2.220 7.216 1.00 0.00 C ATOM 1227 O ARG A 81 -9.408 2.084 8.428 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.303 4.226 6.075 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.605 5.421 5.168 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.691 4.988 3.703 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.539 6.165 2.818 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.554 6.949 2.430 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.801 6.686 2.845 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.323 7.995 1.625 1.00 0.00 N ATOM 0 H ARG A 81 -10.052 4.352 8.408 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.217 3.352 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.737 4.559 6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.677 3.510 5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.545 5.883 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.827 6.176 5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.913 4.256 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.648 4.502 3.514 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.603 6.393 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.978 5.889 3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.573 7.283 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.374 8.194 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.096 8.592 1.330 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.779 1.278 6.411 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.408 -0.030 6.926 1.00 0.00 C ATOM 1250 C PHE A 82 -9.378 -0.484 8.019 1.00 0.00 C ATOM 1251 O PHE A 82 -8.958 -0.828 9.123 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.008 0.106 7.527 1.00 0.00 C ATOM 1253 CG PHE A 82 -5.876 -0.190 6.541 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.125 -0.203 5.204 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.621 -0.439 7.001 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.075 -0.477 4.289 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.571 -0.713 6.086 1.00 0.00 C ATOM 1258 CZ PHE A 82 -3.820 -0.727 4.749 1.00 0.00 C ATOM 0 H PHE A 82 -8.647 1.394 5.406 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.436 -0.767 6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.886 1.119 7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.922 -0.570 8.377 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.122 -0.005 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.423 -0.428 8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.273 -0.487 3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.574 -0.910 6.452 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.021 -0.937 4.053 1.00 0.00 H new ATOM 1268 N THR A 83 -10.657 -0.469 7.674 1.00 0.00 N ATOM 1269 CA THR A 83 -11.690 -0.875 8.613 1.00 0.00 C ATOM 1270 C THR A 83 -12.151 -2.303 8.314 1.00 0.00 C ATOM 1271 O THR A 83 -12.022 -3.190 9.156 1.00 0.00 O ATOM 1272 CB THR A 83 -12.819 0.155 8.547 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.190 1.384 8.899 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.868 -0.055 9.642 1.00 0.00 C ATOM 0 H THR A 83 -11.002 -0.182 6.758 1.00 0.00 H new ATOM 0 HA THR A 83 -11.310 -0.897 9.634 1.00 0.00 H new ATOM 0 HB THR A 83 -13.299 0.104 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.851 2.107 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.647 0.702 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.311 -1.045 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.395 0.028 10.620 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.678 -2.480 7.111 1.00 0.00 N ATOM 1283 CA ASP A 84 -13.159 -3.786 6.691 1.00 0.00 C ATOM 1284 C ASP A 84 -12.000 -4.582 6.089 1.00 0.00 C ATOM 1285 O ASP A 84 -11.558 -4.298 4.977 1.00 0.00 O ATOM 1286 CB ASP A 84 -14.247 -3.654 5.623 1.00 0.00 C ATOM 1287 CG ASP A 84 -15.240 -2.513 5.849 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -15.839 -2.490 6.946 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.379 -1.688 4.919 1.00 0.00 O ATOM 0 H ASP A 84 -12.782 -1.742 6.415 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.570 -4.291 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.768 -3.512 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.800 -4.592 5.571 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.540 -5.563 6.851 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.440 -6.403 6.406 1.00 0.00 C ATOM 1296 C ILE A 85 -10.880 -7.205 5.180 1.00 0.00 C ATOM 1297 O ILE A 85 -10.243 -7.139 4.130 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.929 -7.271 7.558 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.347 -6.407 8.679 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.927 -8.312 7.057 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -9.686 -6.990 10.052 1.00 0.00 C ATOM 0 H ILE A 85 -11.908 -5.795 7.773 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.593 -5.790 6.099 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.775 -7.815 7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.265 -6.339 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.740 -5.393 8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.579 -8.916 7.896 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.409 -8.956 6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.078 -7.807 6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.261 -6.357 10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.769 -7.034 10.171 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.271 -7.994 10.133 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.965 -7.945 5.354 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.497 -8.759 4.275 1.00 0.00 C ATOM 1315 C ASP A 86 -12.399 -7.983 2.960 1.00 0.00 C ATOM 1316 O ASP A 86 -11.930 -8.514 1.955 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.970 -9.097 4.515 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.865 -7.898 4.834 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.740 -7.382 5.965 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.655 -7.525 3.939 1.00 0.00 O ATOM 0 H ASP A 86 -12.490 -7.998 6.227 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.917 -9.681 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.361 -9.598 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.034 -9.809 5.338 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.848 -6.737 3.010 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.816 -5.882 1.835 1.00 0.00 C ATOM 1327 C LYS A 87 -11.534 -5.048 1.852 1.00 0.00 C ATOM 1328 O LYS A 87 -11.560 -3.871 2.210 1.00 0.00 O ATOM 1329 CB LYS A 87 -14.094 -5.045 1.747 1.00 0.00 C ATOM 1330 CG LYS A 87 -15.073 -5.643 0.734 1.00 0.00 C ATOM 1331 CD LYS A 87 -16.521 -5.440 1.185 1.00 0.00 C ATOM 1332 CE LYS A 87 -17.431 -6.527 0.610 1.00 0.00 C ATOM 1333 NZ LYS A 87 -17.915 -7.420 1.686 1.00 0.00 N ATOM 0 H LYS A 87 -13.236 -6.299 3.846 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.793 -6.483 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.567 -4.993 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.845 -4.024 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.923 -5.178 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.872 -6.707 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.572 -5.456 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.872 -4.459 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.279 -6.068 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.888 -7.107 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.139 -8.354 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.177 -7.521 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.770 -7.013 2.117 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.443 -5.689 1.459 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.154 -5.021 1.424 1.00 0.00 C ATOM 1349 C VAL A 88 -8.071 -6.030 1.037 1.00 0.00 C ATOM 1350 O VAL A 88 -7.113 -5.685 0.347 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.882 -4.338 2.766 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.707 -4.999 3.490 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.638 -2.839 2.579 1.00 0.00 C ATOM 0 H VAL A 88 -10.426 -6.665 1.162 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.152 -4.236 0.668 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.769 -4.458 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.535 -4.494 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.936 -6.049 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.811 -4.925 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.447 -2.378 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.775 -2.689 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.517 -2.381 2.126 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.260 -7.258 1.498 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.312 -8.320 1.209 1.00 0.00 C ATOM 1365 C GLU A 89 -7.313 -8.640 -0.287 1.00 0.00 C ATOM 1366 O GLU A 89 -6.295 -9.058 -0.837 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.618 -9.570 2.037 1.00 0.00 C ATOM 1368 CG GLU A 89 -9.014 -10.110 1.717 1.00 0.00 C ATOM 1369 CD GLU A 89 -8.969 -11.613 1.436 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -8.933 -12.375 2.427 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -8.971 -11.967 0.237 1.00 0.00 O ATOM 0 H GLU A 89 -9.056 -7.541 2.070 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.316 -7.976 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.871 -10.338 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.550 -9.333 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.685 -9.913 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.421 -9.587 0.852 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.467 -8.431 -0.904 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.614 -8.691 -2.326 1.00 0.00 C ATOM 1380 C ASP A 90 -8.361 -7.400 -3.105 1.00 0.00 C ATOM 1381 O ASP A 90 -7.656 -7.407 -4.114 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.029 -9.172 -2.654 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.236 -10.685 -2.560 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.522 -11.402 -3.294 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.104 -11.090 -1.757 1.00 0.00 O ATOM 0 H ASP A 90 -9.309 -8.084 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.897 -9.464 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.729 -8.682 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.282 -8.848 -3.664 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.949 -6.321 -2.609 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.796 -5.025 -3.247 1.00 0.00 C ATOM 1392 C GLU A 91 -7.314 -4.701 -3.443 1.00 0.00 C ATOM 1393 O GLU A 91 -6.962 -3.857 -4.265 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.494 -3.930 -2.437 1.00 0.00 C ATOM 1395 CG GLU A 91 -11.003 -3.936 -2.693 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.383 -2.902 -3.754 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -11.602 -1.737 -3.358 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -11.446 -3.299 -4.937 1.00 0.00 O ATOM 0 H GLU A 91 -9.532 -6.318 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.271 -5.066 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.301 -4.080 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.080 -2.957 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.316 -4.928 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.534 -3.722 -1.765 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.484 -5.390 -2.673 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.047 -5.186 -2.751 1.00 0.00 C ATOM 1407 C PHE A 92 -4.437 -6.017 -3.882 1.00 0.00 C ATOM 1408 O PHE A 92 -3.394 -5.659 -4.426 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.457 -5.649 -1.418 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.680 -4.563 -0.671 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.736 -3.832 -1.323 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.933 -4.328 0.644 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.015 -2.824 -0.629 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.212 -3.320 1.337 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.268 -2.590 0.686 1.00 0.00 C ATOM 0 H PHE A 92 -6.779 -6.090 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.830 -4.136 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.265 -6.008 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.795 -6.495 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.535 -4.018 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.683 -4.908 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.266 -2.243 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.414 -3.133 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.719 -1.824 1.214 1.00 0.00 H new ATOM 1425 N THR A 93 -5.114 -7.111 -4.201 1.00 0.00 N ATOM 1426 CA THR A 93 -4.651 -7.995 -5.257 1.00 0.00 C ATOM 1427 C THR A 93 -5.217 -7.555 -6.608 1.00 0.00 C ATOM 1428 O THR A 93 -4.535 -7.637 -7.628 1.00 0.00 O ATOM 1429 CB THR A 93 -5.033 -9.427 -4.876 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.929 -9.886 -4.101 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.057 -10.367 -6.082 1.00 0.00 C ATOM 0 H THR A 93 -5.979 -7.405 -3.747 1.00 0.00 H new ATOM 0 HA THR A 93 -3.567 -7.949 -5.364 1.00 0.00 H new ATOM 0 HB THR A 93 -6.012 -9.426 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.097 -9.526 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.334 -11.370 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.785 -10.008 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.069 -10.394 -6.542 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.460 -7.096 -6.572 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.126 -6.642 -7.781 1.00 0.00 C ATOM 1441 C LYS A 94 -6.464 -5.352 -8.269 1.00 0.00 C ATOM 1442 O LYS A 94 -6.460 -5.058 -9.462 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.632 -6.510 -7.545 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.191 -7.757 -6.857 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.675 -7.943 -7.181 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.884 -8.182 -8.677 1.00 0.00 C ATOM 1447 NZ LYS A 94 -11.517 -7.002 -9.307 1.00 0.00 N ATOM 0 H LYS A 94 -7.023 -7.029 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.015 -7.378 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.832 -5.631 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.141 -6.357 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.632 -8.636 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.058 -7.672 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.071 -8.786 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.232 -7.060 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.927 -8.387 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.510 -9.061 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.197 -6.922 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.551 -7.110 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.248 -6.144 -8.785 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.913 -4.604 -7.312 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.237 -3.341 -7.585 1.00 0.00 C ATOM 1463 C HIS A 95 -3.943 -3.603 -8.376 1.00 0.00 C ATOM 1464 O HIS A 95 -3.752 -3.110 -9.485 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.027 -2.593 -6.260 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.621 -1.141 -6.356 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.627 -0.467 -7.510 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.194 -0.253 -5.397 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.219 0.791 -7.279 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -3.939 0.977 -5.991 1.00 0.00 N ATOM 0 H HIS A 95 -5.925 -4.860 -6.325 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.844 -2.693 -8.217 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.952 -2.650 -5.687 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.265 -3.122 -5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.075 -0.476 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.130 1.553 -8.039 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.611 1.831 -5.541 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.056 -4.398 -7.772 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.789 -4.742 -8.387 1.00 0.00 C ATOM 1480 C CYS A 96 -2.039 -5.385 -9.743 1.00 0.00 C ATOM 1481 O CYS A 96 -1.149 -5.342 -10.591 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.021 -5.691 -7.470 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.057 -4.709 -6.294 1.00 0.00 S ATOM 0 H CYS A 96 -3.201 -4.814 -6.852 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.192 -3.842 -8.536 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.712 -6.345 -6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.362 -6.332 -8.056 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.220 -5.959 -9.923 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.555 -6.600 -11.183 1.00 0.00 C ATOM 1490 C ASN A 97 -3.997 -5.536 -12.190 1.00 0.00 C ATOM 1491 O ASN A 97 -4.100 -5.812 -13.385 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.707 -7.591 -11.007 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.217 -9.034 -11.150 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.697 -9.441 -12.176 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.410 -9.781 -10.067 1.00 0.00 N ATOM 0 H ASN A 97 -3.956 -5.993 -9.218 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.672 -7.132 -11.536 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.163 -7.454 -10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.480 -7.391 -11.749 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.116 -10.758 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.852 -9.377 -9.241 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.247 -4.343 -11.671 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.675 -3.237 -12.510 1.00 0.00 C ATOM 1504 C ASP A 98 -3.628 -2.122 -12.450 1.00 0.00 C ATOM 1505 O ASP A 98 -3.826 -1.049 -13.018 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.007 -2.661 -12.024 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.086 -2.533 -13.101 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -6.707 -2.221 -14.251 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.266 -2.748 -12.750 1.00 0.00 O ATOM 0 H ASP A 98 -4.161 -4.118 -10.680 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.793 -3.611 -13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.388 -3.293 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.825 -1.676 -11.594 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.537 -2.415 -11.758 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.459 -1.452 -11.617 1.00 0.00 C ATOM 1516 C ILE A 99 -0.169 -2.050 -12.181 1.00 0.00 C ATOM 1517 O ILE A 99 0.532 -1.403 -12.957 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.340 -0.991 -10.163 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.610 -0.269 -9.710 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.089 -0.132 -9.961 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.945 0.892 -10.649 1.00 0.00 C ATOM 0 H ILE A 99 -2.377 -3.306 -11.289 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.673 -0.553 -12.196 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.230 -1.874 -9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.443 -0.972 -9.684 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.477 0.106 -8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.028 0.183 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.797 -0.713 -10.217 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.144 0.747 -10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.852 1.388 -10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.121 1.605 -10.654 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.101 0.510 -11.658 1.00 0.00 H new ATOM 1533 N LEU A 100 0.106 -3.279 -11.767 1.00 0.00 N ATOM 1534 CA LEU A 100 1.299 -3.971 -12.222 1.00 0.00 C ATOM 1535 C LEU A 100 0.920 -4.963 -13.323 1.00 0.00 C ATOM 1536 O LEU A 100 1.747 -5.305 -14.167 1.00 0.00 O ATOM 1537 CB LEU A 100 2.028 -4.614 -11.040 1.00 0.00 C ATOM 1538 CG LEU A 100 2.742 -3.651 -10.088 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.490 -4.416 -8.994 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.664 -2.703 -10.857 1.00 0.00 C ATOM 0 H LEU A 100 -0.477 -3.812 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 100 2.006 -3.265 -12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.306 -5.193 -10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.762 -5.318 -11.431 1.00 0.00 H new ATOM 0 HG LEU A 100 1.989 -3.037 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.989 -3.709 -8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.783 -5.014 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.232 -5.071 -9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.159 -2.030 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.414 -3.282 -11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.077 -2.121 -11.567 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.331 -5.397 -13.279 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.830 -6.343 -14.263 1.00 0.00 C ATOM 1554 C GLY A 101 -0.856 -7.763 -13.694 1.00 0.00 C ATOM 1555 O GLY A 101 -1.035 -8.729 -14.435 1.00 0.00 O ATOM 0 H GLY A 101 -1.014 -5.111 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.834 -6.054 -14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.200 -6.315 -15.152 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.675 -7.845 -12.384 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.676 -9.131 -11.708 1.00 0.00 C ATOM 1561 C ALA A 102 -0.850 -8.911 -10.204 1.00 0.00 C ATOM 1562 O ALA A 102 -1.120 -7.795 -9.763 1.00 0.00 O ATOM 1563 CB ALA A 102 0.613 -9.885 -12.042 1.00 0.00 C ATOM 0 H ALA A 102 -0.527 -7.042 -11.773 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.510 -9.744 -12.050 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.612 -10.850 -11.535 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.674 -10.041 -13.119 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.472 -9.302 -11.711 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.686 -9.993 -9.457 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.821 -9.932 -8.011 1.00 0.00 C ATOM 1571 C ASP A 103 0.555 -9.700 -7.384 1.00 0.00 C ATOM 1572 O ASP A 103 1.505 -10.448 -7.603 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.379 -11.243 -7.455 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.093 -11.122 -6.107 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.810 -10.129 -5.402 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.905 -12.025 -5.811 1.00 0.00 O ATOM 0 H ASP A 103 -0.461 -10.917 -9.826 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.504 -9.118 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.075 -11.661 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.560 -11.955 -7.353 1.00 0.00 H new ATOM 1581 N CYS A 104 0.639 -8.631 -6.589 1.00 0.00 N ATOM 1582 CA CYS A 104 1.870 -8.269 -5.916 1.00 0.00 C ATOM 1583 C CYS A 104 2.260 -9.370 -4.939 1.00 0.00 C ATOM 1584 O CYS A 104 1.403 -10.179 -4.587 1.00 0.00 O ATOM 1585 CB CYS A 104 1.680 -6.941 -5.188 1.00 0.00 C ATOM 1586 SG CYS A 104 1.703 -5.602 -6.406 1.00 0.00 S ATOM 0 H CYS A 104 -0.142 -8.002 -6.400 1.00 0.00 H new ATOM 0 HA CYS A 104 2.671 -8.154 -6.646 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.736 -6.940 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.472 -6.797 -4.453 1.00 0.00 H new ATOM 1591 N SER A 105 3.520 -9.383 -4.528 1.00 0.00 N ATOM 1592 CA SER A 105 3.992 -10.393 -3.596 1.00 0.00 C ATOM 1593 C SER A 105 3.492 -10.077 -2.184 1.00 0.00 C ATOM 1594 O SER A 105 3.361 -8.923 -1.782 1.00 0.00 O ATOM 1595 CB SER A 105 5.519 -10.485 -3.610 1.00 0.00 C ATOM 1596 OG SER A 105 6.128 -9.358 -2.986 1.00 0.00 O ATOM 0 H SER A 105 4.228 -8.711 -4.823 1.00 0.00 H new ATOM 0 HA SER A 105 3.594 -11.359 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.832 -11.395 -3.099 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.868 -10.562 -4.640 1.00 0.00 H new ATOM 0 HG SER A 105 6.680 -9.659 -2.235 1.00 0.00 H new ATOM 1602 N PRO A 106 3.213 -11.144 -1.433 1.00 0.00 N ATOM 1603 CA PRO A 106 2.730 -11.078 -0.070 1.00 0.00 C ATOM 1604 C PRO A 106 3.763 -10.382 0.804 1.00 0.00 C ATOM 1605 O PRO A 106 3.441 -10.030 1.938 1.00 0.00 O ATOM 1606 CB PRO A 106 2.548 -12.535 0.352 1.00 0.00 C ATOM 1607 CG PRO A 106 3.469 -13.333 -0.590 1.00 0.00 C ATOM 1608 CD PRO A 106 3.356 -12.515 -1.875 1.00 0.00 C ATOM 0 HA PRO A 106 1.802 -10.515 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.825 -12.683 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.509 -12.850 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.494 -13.381 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.130 -14.360 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.240 -12.638 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.498 -12.830 -2.470 1.00 0.00 H new ATOM 1616 N SER A 107 4.964 -10.200 0.275 1.00 0.00 N ATOM 1617 CA SER A 107 6.022 -9.547 1.026 1.00 0.00 C ATOM 1618 C SER A 107 5.992 -8.039 0.771 1.00 0.00 C ATOM 1619 O SER A 107 6.095 -7.246 1.705 1.00 0.00 O ATOM 1620 CB SER A 107 7.393 -10.120 0.659 1.00 0.00 C ATOM 1621 OG SER A 107 7.805 -9.724 -0.646 1.00 0.00 O ATOM 0 H SER A 107 5.228 -10.494 -0.666 1.00 0.00 H new ATOM 0 HA SER A 107 5.852 -9.733 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.132 -9.788 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.358 -11.208 0.713 1.00 0.00 H new ATOM 0 HG SER A 107 8.685 -10.109 -0.842 1.00 0.00 H new ATOM 1627 N GLU A 108 5.849 -7.689 -0.499 1.00 0.00 N ATOM 1628 CA GLU A 108 5.804 -6.290 -0.888 1.00 0.00 C ATOM 1629 C GLU A 108 4.597 -5.600 -0.250 1.00 0.00 C ATOM 1630 O GLU A 108 4.539 -4.373 -0.189 1.00 0.00 O ATOM 1631 CB GLU A 108 5.775 -6.146 -2.411 1.00 0.00 C ATOM 1632 CG GLU A 108 6.943 -6.895 -3.055 1.00 0.00 C ATOM 1633 CD GLU A 108 8.061 -5.929 -3.454 1.00 0.00 C ATOM 1634 OE1 GLU A 108 7.729 -4.919 -4.112 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.221 -6.223 -3.093 1.00 0.00 O ATOM 0 H GLU A 108 5.763 -8.350 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 108 6.710 -5.803 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.832 -6.533 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.822 -5.091 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.331 -7.638 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.593 -7.435 -3.935 1.00 0.00 H new ATOM 1642 N LYS A 109 3.662 -6.419 0.211 1.00 0.00 N ATOM 1643 CA LYS A 109 2.460 -5.902 0.843 1.00 0.00 C ATOM 1644 C LYS A 109 2.687 -5.801 2.353 1.00 0.00 C ATOM 1645 O LYS A 109 2.676 -4.706 2.913 1.00 0.00 O ATOM 1646 CB LYS A 109 1.246 -6.751 0.459 1.00 0.00 C ATOM 1647 CG LYS A 109 1.050 -6.771 -1.059 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.378 -6.368 -1.432 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.046 -7.445 -2.289 1.00 0.00 C ATOM 1650 NZ LYS A 109 -0.767 -8.791 -1.740 1.00 0.00 N ATOM 0 H LYS A 109 3.713 -7.436 0.159 1.00 0.00 H new ATOM 0 HA LYS A 109 2.243 -4.896 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.379 -7.769 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.352 -6.353 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.759 -6.090 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.263 -7.768 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.962 -6.205 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.363 -5.423 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.122 -7.275 -2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.681 -7.381 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.595 -9.403 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.056 -9.201 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.566 -8.716 -0.722 1.00 0.00 H new ATOM 1664 N ALA A 110 2.886 -6.957 2.968 1.00 0.00 N ATOM 1665 CA ALA A 110 3.114 -7.012 4.402 1.00 0.00 C ATOM 1666 C ALA A 110 4.068 -5.886 4.806 1.00 0.00 C ATOM 1667 O ALA A 110 4.030 -5.412 5.940 1.00 0.00 O ATOM 1668 CB ALA A 110 3.650 -8.394 4.781 1.00 0.00 C ATOM 0 H ALA A 110 2.894 -7.863 2.500 1.00 0.00 H new ATOM 0 HA ALA A 110 2.181 -6.864 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.821 -8.435 5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.923 -9.156 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.588 -8.577 4.257 1.00 0.00 H new ATOM 1674 N ASN A 111 4.901 -5.490 3.855 1.00 0.00 N ATOM 1675 CA ASN A 111 5.863 -4.428 4.097 1.00 0.00 C ATOM 1676 C ASN A 111 5.167 -3.073 3.956 1.00 0.00 C ATOM 1677 O ASN A 111 5.143 -2.282 4.898 1.00 0.00 O ATOM 1678 CB ASN A 111 7.007 -4.479 3.083 1.00 0.00 C ATOM 1679 CG ASN A 111 8.266 -3.813 3.642 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.291 -4.440 3.852 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.131 -2.509 3.871 1.00 0.00 N ATOM 0 H ASN A 111 4.930 -5.885 2.915 1.00 0.00 H new ATOM 0 HA ASN A 111 6.265 -4.561 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.224 -5.516 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.705 -3.979 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.914 -1.973 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.244 -2.045 3.673 1.00 0.00 H new ATOM 1688 N PHE A 112 4.617 -2.846 2.772 1.00 0.00 N ATOM 1689 CA PHE A 112 3.922 -1.601 2.495 1.00 0.00 C ATOM 1690 C PHE A 112 3.067 -1.173 3.689 1.00 0.00 C ATOM 1691 O PHE A 112 3.100 -0.013 4.097 1.00 0.00 O ATOM 1692 CB PHE A 112 3.009 -1.855 1.294 1.00 0.00 C ATOM 1693 CG PHE A 112 2.102 -0.674 0.941 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.598 0.375 0.231 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.801 -0.674 1.336 1.00 0.00 C ATOM 1696 CE1 PHE A 112 1.757 1.471 -0.097 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.040 0.422 1.007 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.455 1.471 0.298 1.00 0.00 C ATOM 0 H PHE A 112 4.639 -3.504 1.993 1.00 0.00 H new ATOM 0 HA PHE A 112 4.644 -0.809 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.624 -2.099 0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.389 -2.727 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.631 0.374 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.407 -1.507 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.151 2.304 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.074 0.422 1.320 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.185 2.304 0.048 1.00 0.00 H new ATOM 1708 N ILE A 113 2.322 -2.132 4.217 1.00 0.00 N ATOM 1709 CA ILE A 113 1.459 -1.869 5.356 1.00 0.00 C ATOM 1710 C ILE A 113 2.299 -1.312 6.508 1.00 0.00 C ATOM 1711 O ILE A 113 1.922 -0.322 7.132 1.00 0.00 O ATOM 1712 CB ILE A 113 0.663 -3.122 5.726 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.546 -3.296 4.805 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.261 -3.101 7.202 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.557 -4.688 4.171 1.00 0.00 C ATOM 0 H ILE A 113 2.298 -3.093 3.877 1.00 0.00 H new ATOM 0 HA ILE A 113 0.717 -1.111 5.105 1.00 0.00 H new ATOM 0 HB ILE A 113 1.306 -3.990 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.464 -3.144 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.524 -2.537 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.304 -4.003 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.156 -3.060 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.357 -2.225 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.427 -4.785 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.351 -4.828 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.603 -5.444 4.955 1.00 0.00 H new ATOM 1727 N ALA A 114 3.421 -1.972 6.753 1.00 0.00 N ATOM 1728 CA ALA A 114 4.317 -1.555 7.819 1.00 0.00 C ATOM 1729 C ALA A 114 4.627 -0.065 7.664 1.00 0.00 C ATOM 1730 O ALA A 114 4.224 0.773 8.467 1.00 0.00 O ATOM 1731 CB ALA A 114 5.579 -2.420 7.792 1.00 0.00 C ATOM 0 H ALA A 114 3.731 -2.792 6.232 1.00 0.00 H new ATOM 0 HA ALA A 114 3.847 -1.694 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.251 -2.108 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.307 -3.466 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 114 6.079 -2.304 6.831 1.00 0.00 H new ATOM 1737 N TYR A 115 5.364 0.250 6.596 1.00 0.00 N ATOM 1738 CA TYR A 115 5.745 1.617 6.308 1.00 0.00 C ATOM 1739 C TYR A 115 4.532 2.528 6.429 1.00 0.00 C ATOM 1740 O TYR A 115 4.701 3.708 6.733 1.00 0.00 O ATOM 1741 CB TYR A 115 6.341 1.694 4.906 1.00 0.00 C ATOM 1742 CG TYR A 115 7.580 2.553 4.823 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.473 3.946 4.918 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.836 1.957 4.653 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.622 4.743 4.842 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.984 2.754 4.577 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.877 4.147 4.672 1.00 0.00 C ATOM 1748 OH TYR A 115 10.996 4.924 4.598 1.00 0.00 O ATOM 0 H TYR A 115 5.705 -0.433 5.920 1.00 0.00 H new ATOM 0 HA TYR A 115 6.495 1.948 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.584 0.687 4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.589 2.088 4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.505 4.406 5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.919 0.883 4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.540 5.817 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.952 2.295 4.445 1.00 0.00 H new ATOM 0 HH TYR A 115 11.784 4.353 4.481 1.00 0.00 H new ATOM 1758 N LEU A 116 3.350 1.976 6.194 1.00 0.00 N ATOM 1759 CA LEU A 116 2.128 2.757 6.282 1.00 0.00 C ATOM 1760 C LEU A 116 1.758 2.952 7.753 1.00 0.00 C ATOM 1761 O LEU A 116 1.320 4.031 8.149 1.00 0.00 O ATOM 1762 CB LEU A 116 1.019 2.113 5.449 1.00 0.00 C ATOM 1763 CG LEU A 116 0.384 3.000 4.376 1.00 0.00 C ATOM 1764 CD1 LEU A 116 1.455 3.733 3.566 1.00 0.00 C ATOM 1765 CD2 LEU A 116 -0.558 2.191 3.482 1.00 0.00 C ATOM 0 H LEU A 116 3.213 0.997 5.943 1.00 0.00 H new ATOM 0 HA LEU A 116 2.279 3.749 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.425 1.225 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.233 1.776 6.125 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.219 3.760 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.977 4.356 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.049 4.360 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.104 3.005 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.996 2.845 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.001 1.395 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.351 1.756 4.089 1.00 0.00 H new ATOM 1777 N LEU A 117 1.947 1.891 8.524 1.00 0.00 N ATOM 1778 CA LEU A 117 1.639 1.932 9.943 1.00 0.00 C ATOM 1779 C LEU A 117 2.597 2.899 10.641 1.00 0.00 C ATOM 1780 O LEU A 117 2.201 3.617 11.559 1.00 0.00 O ATOM 1781 CB LEU A 117 1.650 0.521 10.535 1.00 0.00 C ATOM 1782 CG LEU A 117 0.693 -0.484 9.890 1.00 0.00 C ATOM 1783 CD1 LEU A 117 0.350 -1.615 10.862 1.00 0.00 C ATOM 1784 CD2 LEU A 117 -0.560 0.215 9.359 1.00 0.00 C ATOM 0 H LEU A 117 2.310 0.997 8.192 1.00 0.00 H new ATOM 0 HA LEU A 117 0.630 2.312 10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.663 0.126 10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.410 0.592 11.596 1.00 0.00 H new ATOM 0 HG LEU A 117 1.196 -0.935 9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.331 -2.316 10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.263 -2.137 11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.126 -1.200 11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.223 -0.522 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.076 0.711 10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.275 0.955 8.611 1.00 0.00 H new ATOM 1796 N THR A 118 3.839 2.888 10.180 1.00 0.00 N ATOM 1797 CA THR A 118 4.857 3.755 10.749 1.00 0.00 C ATOM 1798 C THR A 118 4.669 5.191 10.258 1.00 0.00 C ATOM 1799 O THR A 118 4.456 6.102 11.057 1.00 0.00 O ATOM 1800 CB THR A 118 6.226 3.168 10.402 1.00 0.00 C ATOM 1801 OG1 THR A 118 6.610 2.462 11.579 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.302 4.244 10.246 1.00 0.00 C ATOM 0 H THR A 118 4.164 2.292 9.418 1.00 0.00 H new ATOM 0 HA THR A 118 4.774 3.803 11.835 1.00 0.00 H new ATOM 0 HB THR A 118 6.151 2.593 9.479 1.00 0.00 H new ATOM 0 HG1 THR A 118 7.547 2.184 11.503 1.00 0.00 H new ATOM 0 HG21 THR A 118 8.254 3.774 10.000 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.018 4.929 9.447 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.401 4.797 11.180 1.00 0.00 H new