USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 707 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 49 HIS : no HE2:sc= -5.74! C(o=-9.6!,f=-13!) USER MOD Set 1.2: A 51 TYR OH : rot 142:sc= -3.9! USER MOD Set 2.1: A 48 CYS SG : rot -171:sc= -2.3 USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= 0.193 USER MOD Set 3.1: A 45 CYS SG : rot 159:sc= 2.35 USER MOD Set 3.2: A 47 THR OG1 : rot -25:sc= 0.581 USER MOD Set 4.1: A 29 SER OG : rot -70:sc= 0.644 USER MOD Set 4.2: A 30 ASN :FLIP amide:sc= 0.00702 F(o=-0.23,f=0.65) USER MOD Set 5.1: A 22 SER OG : rot 180:sc= 0.156 USER MOD Set 5.2: A 25 GLN : amide:sc= -0.163 X(o=-0.0066,f=0.16) USER MOD Single : A 1 SER N :NH3+ -139:sc= 0.661 (180deg=0.297) USER MOD Single : A 1 SER OG : rot 110:sc= -1.91! USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -0.0928 (180deg=-0.471) USER MOD Single : A 5 TYR OH : rot -65:sc=-0.000614 USER MOD Single : A 7 SER OG : rot -36:sc= -1.12 USER MOD Single : A 8 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -170:sc= -0.174 (180deg=-0.242) USER MOD Single : A 53 ASN : amide:sc= -1.37! C(o=-1.4!,f=-9.8!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.368 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.63! C(o=-3.6!,f=-4.7!) USER MOD Single : A 70 MET CE :methyl -145:sc= -0.749 (180deg=-3.9!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 57:sc= -2.33! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -2.59 K(o=-2.6,f=-4.7!) USER MOD Single : A 82 SER OG : rot 51:sc= -1.85! USER MOD Single : A 85 CYS SG : rot 180:sc= -1.68 USER MOD Single : A 87 GLN : amide:sc= -4.61 K(o=-4.6,f=-7.6!) USER MOD Single : A 90 MET CE :methyl 167:sc= -1.35 (180deg=-1.76) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.998 -9.156 3.277 1.00 0.00 N ATOM 2 CA SER A 1 9.863 -9.889 2.651 1.00 0.00 C ATOM 3 C SER A 1 9.781 -9.507 1.170 1.00 0.00 C ATOM 4 O SER A 1 10.235 -8.454 0.769 1.00 0.00 O ATOM 5 CB SER A 1 8.553 -9.510 3.372 1.00 0.00 C ATOM 6 OG SER A 1 8.869 -8.905 4.613 1.00 0.00 O ATOM 0 H1 SER A 1 11.506 -9.791 3.925 1.00 0.00 H new ATOM 0 H2 SER A 1 11.648 -8.825 2.536 1.00 0.00 H new ATOM 0 H3 SER A 1 10.633 -8.339 3.807 1.00 0.00 H new ATOM 0 HA SER A 1 10.016 -10.965 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.969 -8.825 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.940 -10.397 3.531 1.00 0.00 H new ATOM 0 HG SER A 1 8.650 -7.951 4.577 1.00 0.00 H new ATOM 14 N LYS A 2 9.192 -10.338 0.356 1.00 0.00 N ATOM 15 CA LYS A 2 9.080 -9.993 -1.079 1.00 0.00 C ATOM 16 C LYS A 2 7.867 -9.096 -1.236 1.00 0.00 C ATOM 17 O LYS A 2 6.764 -9.474 -0.915 1.00 0.00 O ATOM 18 CB LYS A 2 8.883 -11.281 -1.902 1.00 0.00 C ATOM 19 CG LYS A 2 10.239 -11.803 -2.423 1.00 0.00 C ATOM 20 CD LYS A 2 10.611 -11.118 -3.750 1.00 0.00 C ATOM 21 CE LYS A 2 9.983 -11.873 -4.931 1.00 0.00 C ATOM 22 NZ LYS A 2 10.675 -13.182 -5.107 1.00 0.00 N ATOM 0 H LYS A 2 8.787 -11.235 0.625 1.00 0.00 H new ATOM 0 HA LYS A 2 9.980 -9.488 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.406 -12.043 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.216 -11.085 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.016 -11.616 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.188 -12.882 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.264 -10.085 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.695 -11.090 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.920 -12.033 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.066 -11.280 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.591 -13.489 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.680 -13.079 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.237 -13.892 -4.486 1.00 0.00 H new ATOM 36 N VAL A 3 8.053 -7.906 -1.694 1.00 0.00 N ATOM 37 CA VAL A 3 6.914 -6.970 -1.851 1.00 0.00 C ATOM 38 C VAL A 3 6.756 -6.661 -3.326 1.00 0.00 C ATOM 39 O VAL A 3 7.665 -6.176 -3.946 1.00 0.00 O ATOM 40 CB VAL A 3 7.290 -5.702 -1.072 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.546 -4.463 -1.565 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.980 -5.926 0.399 1.00 0.00 C ATOM 0 H VAL A 3 8.959 -7.530 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 3 5.976 -7.382 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 3 8.353 -5.518 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.852 -3.597 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.782 -4.291 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.472 -4.615 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.242 -5.033 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.917 -6.133 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.559 -6.773 0.768 1.00 0.00 H new ATOM 52 N VAL A 4 5.611 -6.925 -3.892 1.00 0.00 N ATOM 53 CA VAL A 4 5.395 -6.629 -5.338 1.00 0.00 C ATOM 54 C VAL A 4 4.420 -5.465 -5.486 1.00 0.00 C ATOM 55 O VAL A 4 3.365 -5.436 -4.902 1.00 0.00 O ATOM 56 CB VAL A 4 4.835 -7.864 -6.030 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.434 -7.522 -7.470 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.892 -8.970 -6.048 1.00 0.00 C ATOM 0 H VAL A 4 4.810 -7.336 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 4 6.345 -6.357 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 4 3.957 -8.207 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.034 -8.411 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.674 -6.741 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.308 -7.170 -8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.487 -9.852 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.773 -8.623 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.170 -9.224 -5.025 1.00 0.00 H new ATOM 68 N TYR A 5 4.779 -4.529 -6.306 1.00 0.00 N ATOM 69 CA TYR A 5 3.918 -3.353 -6.582 1.00 0.00 C ATOM 70 C TYR A 5 3.365 -3.502 -8.000 1.00 0.00 C ATOM 71 O TYR A 5 4.097 -3.460 -8.962 1.00 0.00 O ATOM 72 CB TYR A 5 4.747 -2.069 -6.491 1.00 0.00 C ATOM 73 CG TYR A 5 5.000 -1.721 -5.038 1.00 0.00 C ATOM 74 CD1 TYR A 5 4.037 -1.017 -4.301 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.204 -2.095 -4.425 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.279 -0.686 -2.962 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.445 -1.760 -3.092 1.00 0.00 C ATOM 78 CZ TYR A 5 5.486 -1.057 -2.360 1.00 0.00 C ATOM 79 OH TYR A 5 5.728 -0.724 -1.033 1.00 0.00 O ATOM 0 H TYR A 5 5.663 -4.529 -6.814 1.00 0.00 H new ATOM 0 HA TYR A 5 3.108 -3.298 -5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.695 -2.200 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.222 -1.251 -6.984 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.106 -0.729 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.947 -2.643 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.535 -0.145 -2.395 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.376 -2.045 -2.625 1.00 0.00 H new ATOM 0 HH TYR A 5 5.782 0.251 -0.945 1.00 0.00 H new ATOM 89 N VAL A 6 2.075 -3.649 -8.129 1.00 0.00 N ATOM 90 CA VAL A 6 1.469 -3.771 -9.492 1.00 0.00 C ATOM 91 C VAL A 6 0.913 -2.397 -9.845 1.00 0.00 C ATOM 92 O VAL A 6 0.014 -1.889 -9.215 1.00 0.00 O ATOM 93 CB VAL A 6 0.362 -4.825 -9.470 1.00 0.00 C ATOM 94 CG1 VAL A 6 -0.355 -4.842 -10.824 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.978 -6.202 -9.202 1.00 0.00 C ATOM 0 H VAL A 6 1.413 -3.690 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 6 2.202 -4.086 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.354 -4.585 -8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.144 -5.594 -10.808 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.791 -3.862 -11.017 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.360 -5.083 -11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.191 -6.956 -9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.693 -6.440 -9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.489 -6.191 -8.240 1.00 0.00 H new ATOM 105 N SER A 7 1.490 -1.776 -10.831 1.00 0.00 N ATOM 106 CA SER A 7 1.058 -0.408 -11.209 1.00 0.00 C ATOM 107 C SER A 7 -0.181 -0.444 -12.095 1.00 0.00 C ATOM 108 O SER A 7 -0.752 -1.481 -12.369 1.00 0.00 O ATOM 109 CB SER A 7 2.190 0.283 -11.965 1.00 0.00 C ATOM 110 OG SER A 7 2.228 -0.207 -13.302 1.00 0.00 O ATOM 0 H SER A 7 2.248 -2.161 -11.395 1.00 0.00 H new ATOM 0 HA SER A 7 0.815 0.139 -10.298 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.038 1.362 -11.965 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.142 0.095 -11.469 1.00 0.00 H new ATOM 0 HG SER A 7 2.001 -1.160 -13.308 1.00 0.00 H new ATOM 116 N HIS A 8 -0.578 0.708 -12.537 1.00 0.00 N ATOM 117 CA HIS A 8 -1.768 0.812 -13.423 1.00 0.00 C ATOM 118 C HIS A 8 -1.333 0.419 -14.840 1.00 0.00 C ATOM 119 O HIS A 8 -2.018 -0.303 -15.535 1.00 0.00 O ATOM 120 CB HIS A 8 -2.340 2.262 -13.394 1.00 0.00 C ATOM 121 CG HIS A 8 -1.473 3.164 -12.550 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.991 2.782 -11.308 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.998 4.437 -12.757 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.264 3.806 -10.818 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.239 4.836 -11.667 1.00 0.00 N ATOM 0 H HIS A 8 -0.125 1.596 -12.321 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.560 0.145 -13.081 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.400 2.654 -14.409 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.355 2.249 -12.996 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.187 5.036 -13.636 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.235 3.795 -9.860 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.238 5.729 -11.541 1.00 0.00 H new ATOM 134 N ASP A 9 -0.199 0.897 -15.265 1.00 0.00 N ATOM 135 CA ASP A 9 0.280 0.564 -16.633 1.00 0.00 C ATOM 136 C ASP A 9 0.553 -0.945 -16.755 1.00 0.00 C ATOM 137 O ASP A 9 0.774 -1.451 -17.840 1.00 0.00 O ATOM 138 CB ASP A 9 1.564 1.356 -16.932 1.00 0.00 C ATOM 139 CG ASP A 9 2.389 1.488 -15.645 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.874 2.043 -14.691 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.521 1.033 -15.641 1.00 0.00 O ATOM 0 H ASP A 9 0.417 1.504 -14.724 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.491 0.834 -17.355 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.147 0.849 -17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.314 2.343 -17.320 1.00 0.00 H new ATOM 146 N GLY A 10 0.532 -1.672 -15.664 1.00 0.00 N ATOM 147 CA GLY A 10 0.780 -3.151 -15.732 1.00 0.00 C ATOM 148 C GLY A 10 2.223 -3.474 -15.324 1.00 0.00 C ATOM 149 O GLY A 10 2.588 -4.624 -15.176 1.00 0.00 O ATOM 0 H GLY A 10 0.354 -1.307 -14.728 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.085 -3.673 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.593 -3.511 -16.744 1.00 0.00 H new ATOM 153 N THR A 11 3.056 -2.481 -15.167 1.00 0.00 N ATOM 154 CA THR A 11 4.471 -2.761 -14.804 1.00 0.00 C ATOM 155 C THR A 11 4.569 -3.187 -13.340 1.00 0.00 C ATOM 156 O THR A 11 4.040 -2.554 -12.447 1.00 0.00 O ATOM 157 CB THR A 11 5.347 -1.522 -15.091 1.00 0.00 C ATOM 158 OG1 THR A 11 6.622 -1.953 -15.538 1.00 0.00 O ATOM 159 CG2 THR A 11 5.526 -0.644 -13.845 1.00 0.00 C ATOM 0 H THR A 11 2.818 -1.495 -15.274 1.00 0.00 H new ATOM 0 HA THR A 11 4.841 -3.584 -15.415 1.00 0.00 H new ATOM 0 HB THR A 11 4.846 -0.925 -15.853 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.184 -1.172 -15.724 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.149 0.216 -14.092 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.551 -0.299 -13.500 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.005 -1.224 -13.057 1.00 0.00 H new ATOM 167 N ARG A 12 5.249 -4.268 -13.108 1.00 0.00 N ATOM 168 CA ARG A 12 5.420 -4.785 -11.715 1.00 0.00 C ATOM 169 C ARG A 12 6.788 -4.367 -11.178 1.00 0.00 C ATOM 170 O ARG A 12 7.799 -4.528 -11.835 1.00 0.00 O ATOM 171 CB ARG A 12 5.302 -6.318 -11.707 1.00 0.00 C ATOM 172 CG ARG A 12 4.027 -6.746 -12.473 1.00 0.00 C ATOM 173 CD ARG A 12 3.412 -8.055 -11.911 1.00 0.00 C ATOM 174 NE ARG A 12 3.510 -9.123 -12.950 1.00 0.00 N ATOM 175 CZ ARG A 12 4.417 -10.078 -12.884 1.00 0.00 C ATOM 176 NH1 ARG A 12 5.258 -10.143 -11.878 1.00 0.00 N ATOM 177 NH2 ARG A 12 4.456 -10.982 -13.818 1.00 0.00 N ATOM 0 H ARG A 12 5.703 -4.828 -13.830 1.00 0.00 H new ATOM 0 HA ARG A 12 4.640 -4.367 -11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.183 -6.763 -12.170 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.262 -6.684 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.288 -5.947 -12.418 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.269 -6.884 -13.527 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.938 -8.360 -11.007 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.370 -7.893 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 12 2.857 -9.114 -13.733 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.216 -9.448 -11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.954 -10.888 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.790 -10.947 -14.590 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.153 -11.726 -13.779 1.00 0.00 H new ATOM 191 N ARG A 13 6.821 -3.832 -9.988 1.00 0.00 N ATOM 192 CA ARG A 13 8.101 -3.392 -9.354 1.00 0.00 C ATOM 193 C ARG A 13 8.190 -4.124 -8.010 1.00 0.00 C ATOM 194 O ARG A 13 7.306 -4.007 -7.186 1.00 0.00 O ATOM 195 CB ARG A 13 8.040 -1.859 -9.129 1.00 0.00 C ATOM 196 CG ARG A 13 9.412 -1.166 -9.378 1.00 0.00 C ATOM 197 CD ARG A 13 9.387 -0.349 -10.690 1.00 0.00 C ATOM 198 NE ARG A 13 8.765 0.995 -10.431 1.00 0.00 N ATOM 199 CZ ARG A 13 7.784 1.476 -11.178 1.00 0.00 C ATOM 200 NH1 ARG A 13 7.279 0.781 -12.170 1.00 0.00 N ATOM 201 NH2 ARG A 13 7.312 2.676 -10.922 1.00 0.00 N ATOM 0 H ARG A 13 5.993 -3.677 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 13 8.969 -3.617 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.292 -1.427 -9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.714 -1.657 -8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.650 -0.510 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.200 -1.918 -9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.400 -0.225 -11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.820 -0.883 -11.453 1.00 0.00 H new ATOM 0 HE ARG A 13 9.111 1.556 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.642 -0.149 -12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.523 1.171 -12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.702 3.224 -10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.556 3.059 -11.490 1.00 0.00 H new ATOM 215 N GLU A 14 9.209 -4.910 -7.802 1.00 0.00 N ATOM 216 CA GLU A 14 9.323 -5.698 -6.530 1.00 0.00 C ATOM 217 C GLU A 14 10.487 -5.205 -5.651 1.00 0.00 C ATOM 218 O GLU A 14 11.596 -5.037 -6.119 1.00 0.00 O ATOM 219 CB GLU A 14 9.577 -7.168 -6.891 1.00 0.00 C ATOM 220 CG GLU A 14 8.702 -7.571 -8.087 1.00 0.00 C ATOM 221 CD GLU A 14 9.362 -7.116 -9.390 1.00 0.00 C ATOM 222 OE1 GLU A 14 10.400 -7.661 -9.726 1.00 0.00 O ATOM 223 OE2 GLU A 14 8.818 -6.230 -10.031 1.00 0.00 O ATOM 0 H GLU A 14 9.976 -5.045 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 14 8.397 -5.575 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.629 -7.315 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.354 -7.805 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.561 -8.652 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.713 -7.122 -7.993 1.00 0.00 H new ATOM 230 N LEU A 15 10.248 -5.002 -4.361 1.00 0.00 N ATOM 231 CA LEU A 15 11.346 -4.558 -3.429 1.00 0.00 C ATOM 232 C LEU A 15 11.457 -5.532 -2.265 1.00 0.00 C ATOM 233 O LEU A 15 10.590 -6.343 -2.014 1.00 0.00 O ATOM 234 CB LEU A 15 11.045 -3.173 -2.784 1.00 0.00 C ATOM 235 CG LEU A 15 10.029 -2.390 -3.568 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.720 -1.102 -2.777 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.580 -2.026 -4.959 1.00 0.00 C ATOM 0 H LEU A 15 9.337 -5.126 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 15 12.255 -4.510 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.682 -3.319 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.969 -2.598 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 15 9.127 -2.986 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.984 -0.509 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.323 -1.364 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.635 -0.522 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.830 -1.460 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.481 -1.422 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.820 -2.938 -5.505 1.00 0.00 H new ATOM 249 N ASP A 16 12.492 -5.360 -1.510 1.00 0.00 N ATOM 250 CA ASP A 16 12.681 -6.150 -0.282 1.00 0.00 C ATOM 251 C ASP A 16 12.367 -5.173 0.845 1.00 0.00 C ATOM 252 O ASP A 16 13.081 -4.209 1.037 1.00 0.00 O ATOM 253 CB ASP A 16 14.140 -6.613 -0.189 1.00 0.00 C ATOM 254 CG ASP A 16 14.330 -7.899 -0.999 1.00 0.00 C ATOM 255 OD1 ASP A 16 14.567 -7.799 -2.189 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.241 -8.962 -0.405 1.00 0.00 O ATOM 0 H ASP A 16 13.234 -4.686 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 16 12.053 -7.041 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.803 -5.834 -0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.411 -6.785 0.853 1.00 0.00 H new ATOM 261 N VAL A 17 11.327 -5.405 1.610 1.00 0.00 N ATOM 262 CA VAL A 17 10.988 -4.479 2.749 1.00 0.00 C ATOM 263 C VAL A 17 11.214 -5.240 4.057 1.00 0.00 C ATOM 264 O VAL A 17 10.705 -6.325 4.258 1.00 0.00 O ATOM 265 CB VAL A 17 9.519 -4.031 2.594 1.00 0.00 C ATOM 266 CG1 VAL A 17 9.173 -2.875 3.560 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.329 -3.571 1.146 1.00 0.00 C ATOM 0 H VAL A 17 10.694 -6.197 1.498 1.00 0.00 H new ATOM 0 HA VAL A 17 11.616 -3.588 2.751 1.00 0.00 H new ATOM 0 HB VAL A 17 8.857 -4.862 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.131 -2.586 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.326 -3.202 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.817 -2.021 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.299 -3.246 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.004 -2.742 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.548 -4.397 0.470 1.00 0.00 H new ATOM 277 N ALA A 18 12.024 -4.695 4.926 1.00 0.00 N ATOM 278 CA ALA A 18 12.347 -5.399 6.197 1.00 0.00 C ATOM 279 C ALA A 18 11.161 -5.389 7.166 1.00 0.00 C ATOM 280 O ALA A 18 10.214 -4.641 7.028 1.00 0.00 O ATOM 281 CB ALA A 18 13.555 -4.731 6.862 1.00 0.00 C ATOM 0 H ALA A 18 12.477 -3.789 4.808 1.00 0.00 H new ATOM 0 HA ALA A 18 12.577 -6.437 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.790 -5.248 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.413 -4.782 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.322 -3.688 7.075 1.00 0.00 H new ATOM 287 N ASP A 19 11.233 -6.242 8.152 1.00 0.00 N ATOM 288 CA ASP A 19 10.157 -6.350 9.163 1.00 0.00 C ATOM 289 C ASP A 19 9.987 -5.027 9.891 1.00 0.00 C ATOM 290 O ASP A 19 10.935 -4.360 10.250 1.00 0.00 O ATOM 291 CB ASP A 19 10.525 -7.436 10.170 1.00 0.00 C ATOM 292 CG ASP A 19 11.963 -7.228 10.646 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.865 -7.684 9.961 1.00 0.00 O ATOM 294 OD2 ASP A 19 12.138 -6.616 11.687 1.00 0.00 O ATOM 0 H ASP A 19 12.014 -6.881 8.297 1.00 0.00 H new ATOM 0 HA ASP A 19 9.221 -6.603 8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.842 -7.405 11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.421 -8.420 9.713 1.00 0.00 H new ATOM 299 N GLY A 20 8.765 -4.675 10.123 1.00 0.00 N ATOM 300 CA GLY A 20 8.471 -3.416 10.856 1.00 0.00 C ATOM 301 C GLY A 20 8.519 -2.208 9.919 1.00 0.00 C ATOM 302 O GLY A 20 8.306 -1.094 10.349 1.00 0.00 O ATOM 0 H GLY A 20 7.944 -5.208 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.486 -3.482 11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.193 -3.284 11.662 1.00 0.00 H new ATOM 306 N VAL A 21 8.808 -2.380 8.647 1.00 0.00 N ATOM 307 CA VAL A 21 8.874 -1.195 7.740 1.00 0.00 C ATOM 308 C VAL A 21 7.533 -1.022 7.025 1.00 0.00 C ATOM 309 O VAL A 21 6.834 -1.979 6.768 1.00 0.00 O ATOM 310 CB VAL A 21 9.934 -1.439 6.663 1.00 0.00 C ATOM 311 CG1 VAL A 21 10.014 -0.241 5.727 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.306 -1.694 7.284 1.00 0.00 C ATOM 0 H VAL A 21 8.998 -3.280 8.206 1.00 0.00 H new ATOM 0 HA VAL A 21 9.114 -0.312 8.333 1.00 0.00 H new ATOM 0 HB VAL A 21 9.640 -2.325 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.771 -0.425 4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.047 -0.088 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.282 0.649 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.037 -1.864 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.605 -0.828 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.257 -2.572 7.927 1.00 0.00 H new ATOM 322 N SER A 22 7.172 0.188 6.702 1.00 0.00 N ATOM 323 CA SER A 22 5.880 0.410 5.994 1.00 0.00 C ATOM 324 C SER A 22 6.116 0.341 4.488 1.00 0.00 C ATOM 325 O SER A 22 7.106 0.830 3.984 1.00 0.00 O ATOM 326 CB SER A 22 5.325 1.788 6.359 1.00 0.00 C ATOM 327 OG SER A 22 6.016 2.782 5.616 1.00 0.00 O ATOM 0 H SER A 22 7.713 1.030 6.897 1.00 0.00 H new ATOM 0 HA SER A 22 5.165 -0.357 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.258 1.832 6.143 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.442 1.969 7.428 1.00 0.00 H new ATOM 0 HG SER A 22 5.663 3.667 5.846 1.00 0.00 H new ATOM 333 N LEU A 23 5.214 -0.255 3.754 1.00 0.00 N ATOM 334 CA LEU A 23 5.393 -0.339 2.280 1.00 0.00 C ATOM 335 C LEU A 23 5.670 1.063 1.735 1.00 0.00 C ATOM 336 O LEU A 23 6.259 1.228 0.687 1.00 0.00 O ATOM 337 CB LEU A 23 4.106 -0.882 1.647 1.00 0.00 C ATOM 338 CG LEU A 23 4.016 -2.411 1.807 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.581 -2.855 1.522 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.947 -3.119 0.816 1.00 0.00 C ATOM 0 H LEU A 23 4.362 -0.686 4.114 1.00 0.00 H new ATOM 0 HA LEU A 23 6.226 -1.001 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.240 -0.412 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.078 -0.621 0.589 1.00 0.00 H new ATOM 0 HG LEU A 23 4.312 -2.672 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.506 -3.937 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.904 -2.371 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.309 -2.575 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.866 -4.198 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.662 -2.856 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.976 -2.807 0.997 1.00 0.00 H new ATOM 352 N MET A 24 5.245 2.069 2.447 1.00 0.00 N ATOM 353 CA MET A 24 5.471 3.467 1.985 1.00 0.00 C ATOM 354 C MET A 24 6.926 3.858 2.277 1.00 0.00 C ATOM 355 O MET A 24 7.487 4.724 1.638 1.00 0.00 O ATOM 356 CB MET A 24 4.489 4.386 2.743 1.00 0.00 C ATOM 357 CG MET A 24 5.004 5.834 2.799 1.00 0.00 C ATOM 358 SD MET A 24 3.705 6.918 3.451 1.00 0.00 S ATOM 359 CE MET A 24 2.784 7.167 1.910 1.00 0.00 C ATOM 0 H MET A 24 4.748 1.983 3.334 1.00 0.00 H new ATOM 0 HA MET A 24 5.298 3.563 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.516 4.363 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.345 4.010 3.756 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.890 5.891 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.301 6.164 1.803 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.040 7.951 2.053 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.473 7.460 1.118 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.284 6.239 1.631 1.00 0.00 H new ATOM 369 N GLN A 25 7.535 3.231 3.245 1.00 0.00 N ATOM 370 CA GLN A 25 8.946 3.572 3.588 1.00 0.00 C ATOM 371 C GLN A 25 9.882 3.002 2.506 1.00 0.00 C ATOM 372 O GLN A 25 10.631 3.729 1.892 1.00 0.00 O ATOM 373 CB GLN A 25 9.297 2.979 4.968 1.00 0.00 C ATOM 374 CG GLN A 25 8.998 3.998 6.076 1.00 0.00 C ATOM 375 CD GLN A 25 9.130 3.319 7.439 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.222 3.020 7.879 1.00 0.00 O ATOM 377 NE2 GLN A 25 8.055 3.062 8.136 1.00 0.00 N ATOM 0 H GLN A 25 7.116 2.496 3.815 1.00 0.00 H new ATOM 0 HA GLN A 25 9.068 4.654 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.722 2.068 5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.351 2.701 4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.688 4.839 6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.992 4.400 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.137 3.312 7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.134 2.611 9.048 1.00 0.00 H new ATOM 386 N ALA A 26 9.856 1.715 2.274 1.00 0.00 N ATOM 387 CA ALA A 26 10.767 1.139 1.236 1.00 0.00 C ATOM 388 C ALA A 26 10.455 1.713 -0.145 1.00 0.00 C ATOM 389 O ALA A 26 11.313 1.755 -1.006 1.00 0.00 O ATOM 390 CB ALA A 26 10.607 -0.379 1.193 1.00 0.00 C ATOM 0 H ALA A 26 9.253 1.044 2.750 1.00 0.00 H new ATOM 0 HA ALA A 26 11.791 1.400 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.272 -0.794 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.859 -0.799 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.575 -0.629 0.946 1.00 0.00 H new ATOM 396 N ALA A 27 9.254 2.158 -0.381 1.00 0.00 N ATOM 397 CA ALA A 27 8.932 2.724 -1.724 1.00 0.00 C ATOM 398 C ALA A 27 9.703 4.037 -1.944 1.00 0.00 C ATOM 399 O ALA A 27 10.439 4.182 -2.893 1.00 0.00 O ATOM 400 CB ALA A 27 7.420 2.997 -1.792 1.00 0.00 C ATOM 0 H ALA A 27 8.486 2.156 0.290 1.00 0.00 H new ATOM 0 HA ALA A 27 9.222 2.015 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.169 3.411 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.875 2.065 -1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.143 3.708 -1.014 1.00 0.00 H new ATOM 406 N VAL A 28 9.523 4.997 -1.069 1.00 0.00 N ATOM 407 CA VAL A 28 10.227 6.303 -1.243 1.00 0.00 C ATOM 408 C VAL A 28 11.708 6.048 -1.497 1.00 0.00 C ATOM 409 O VAL A 28 12.412 6.882 -2.036 1.00 0.00 O ATOM 410 CB VAL A 28 10.063 7.147 0.022 1.00 0.00 C ATOM 411 CG1 VAL A 28 10.964 8.384 -0.051 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.604 7.595 0.155 1.00 0.00 C ATOM 0 H VAL A 28 8.922 4.932 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 28 9.798 6.837 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 28 10.345 6.546 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.840 8.978 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.004 8.072 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.689 8.983 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.489 8.196 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.325 8.189 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.959 6.719 0.218 1.00 0.00 H new ATOM 422 N SER A 29 12.186 4.905 -1.116 1.00 0.00 N ATOM 423 CA SER A 29 13.625 4.574 -1.305 1.00 0.00 C ATOM 424 C SER A 29 13.815 3.934 -2.673 1.00 0.00 C ATOM 425 O SER A 29 14.902 3.918 -3.217 1.00 0.00 O ATOM 426 CB SER A 29 14.026 3.577 -0.218 1.00 0.00 C ATOM 427 OG SER A 29 14.537 2.382 -0.797 1.00 0.00 O ATOM 0 H SER A 29 11.634 4.170 -0.673 1.00 0.00 H new ATOM 0 HA SER A 29 14.238 5.473 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.779 4.023 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.163 3.345 0.406 1.00 0.00 H new ATOM 0 HG SER A 29 13.809 1.895 -1.237 1.00 0.00 H new ATOM 433 N ASN A 30 12.755 3.417 -3.244 1.00 0.00 N ATOM 434 CA ASN A 30 12.840 2.786 -4.579 1.00 0.00 C ATOM 435 C ASN A 30 12.085 3.656 -5.587 1.00 0.00 C ATOM 436 O ASN A 30 11.937 3.292 -6.735 1.00 0.00 O ATOM 437 CB ASN A 30 12.195 1.408 -4.491 1.00 0.00 C ATOM 438 CG ASN A 30 13.164 0.434 -3.817 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.387 0.543 -2.538 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 13.728 -0.426 -4.465 1.00 0.00 N flip ATOM 0 H ASN A 30 11.824 3.410 -2.827 1.00 0.00 H new ATOM 0 HA ASN A 30 13.877 2.689 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.266 1.465 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.938 1.051 -5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.551 -0.509 -5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.378 -1.065 -4.008 1.00 0.00 H new ATOM 447 N GLY A 31 11.687 4.847 -5.198 1.00 0.00 N ATOM 448 CA GLY A 31 11.039 5.768 -6.194 1.00 0.00 C ATOM 449 C GLY A 31 9.677 5.231 -6.648 1.00 0.00 C ATOM 450 O GLY A 31 9.372 5.262 -7.824 1.00 0.00 O ATOM 0 H GLY A 31 11.780 5.217 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.913 6.756 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.691 5.888 -7.059 1.00 0.00 H new ATOM 454 N ILE A 32 8.888 4.675 -5.762 1.00 0.00 N ATOM 455 CA ILE A 32 7.586 4.061 -6.204 1.00 0.00 C ATOM 456 C ILE A 32 6.341 4.736 -5.644 1.00 0.00 C ATOM 457 O ILE A 32 5.513 5.232 -6.378 1.00 0.00 O ATOM 458 CB ILE A 32 7.627 2.606 -5.752 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.686 1.883 -6.586 1.00 0.00 C ATOM 460 CG2 ILE A 32 6.261 1.936 -5.940 1.00 0.00 C ATOM 461 CD1 ILE A 32 9.081 0.585 -5.916 1.00 0.00 C ATOM 0 H ILE A 32 9.081 4.617 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 32 7.503 4.178 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 32 7.875 2.557 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.298 1.682 -7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.562 2.520 -6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.316 0.899 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.512 2.465 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.982 1.968 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.835 0.079 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.488 0.795 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.205 -0.056 -5.819 1.00 0.00 H new ATOM 616 N CYS A 45 -4.898 11.208 5.361 1.00 0.00 N ATOM 617 CA CYS A 45 -5.368 11.601 3.999 1.00 0.00 C ATOM 618 C CYS A 45 -5.810 10.356 3.227 1.00 0.00 C ATOM 619 O CYS A 45 -5.952 9.284 3.783 1.00 0.00 O ATOM 620 CB CYS A 45 -4.242 12.321 3.229 1.00 0.00 C ATOM 621 SG CYS A 45 -3.107 11.121 2.479 1.00 0.00 S ATOM 0 HA CYS A 45 -6.212 12.283 4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.673 12.955 2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.692 12.975 3.906 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.455 11.689 1.508 1.00 0.00 H new ATOM 626 N ALA A 46 -6.031 10.498 1.941 1.00 0.00 N ATOM 627 CA ALA A 46 -6.474 9.342 1.108 1.00 0.00 C ATOM 628 C ALA A 46 -5.612 9.277 -0.154 1.00 0.00 C ATOM 629 O ALA A 46 -5.922 8.563 -1.092 1.00 0.00 O ATOM 630 CB ALA A 46 -7.946 9.548 0.727 1.00 0.00 C ATOM 0 H ALA A 46 -5.921 11.375 1.432 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.368 8.410 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.285 8.710 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.551 9.606 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.049 10.474 0.161 1.00 0.00 H new ATOM 636 N THR A 47 -4.537 10.015 -0.194 1.00 0.00 N ATOM 637 CA THR A 47 -3.663 9.991 -1.404 1.00 0.00 C ATOM 638 C THR A 47 -3.000 8.617 -1.525 1.00 0.00 C ATOM 639 O THR A 47 -2.562 8.225 -2.589 1.00 0.00 O ATOM 640 CB THR A 47 -2.580 11.064 -1.267 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.951 10.941 0.001 1.00 0.00 O ATOM 642 CG2 THR A 47 -3.209 12.453 -1.389 1.00 0.00 C ATOM 0 H THR A 47 -4.225 10.632 0.556 1.00 0.00 H new ATOM 0 HA THR A 47 -4.264 10.187 -2.292 1.00 0.00 H new ATOM 0 HB THR A 47 -1.841 10.932 -2.057 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.564 10.506 0.629 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.434 13.213 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.691 12.550 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.951 12.587 -0.601 1.00 0.00 H new ATOM 650 N CYS A 48 -2.912 7.885 -0.452 1.00 0.00 N ATOM 651 CA CYS A 48 -2.267 6.538 -0.500 1.00 0.00 C ATOM 652 C CYS A 48 -3.301 5.451 -0.864 1.00 0.00 C ATOM 653 O CYS A 48 -3.273 4.355 -0.337 1.00 0.00 O ATOM 654 CB CYS A 48 -1.640 6.216 0.856 1.00 0.00 C ATOM 655 SG CYS A 48 -2.835 6.520 2.171 1.00 0.00 S ATOM 0 H CYS A 48 -3.261 8.161 0.466 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.492 6.553 -1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.317 5.175 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.752 6.829 1.011 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.244 6.423 3.325 1.00 0.00 H new ATOM 660 N HIS A 49 -4.218 5.767 -1.729 1.00 0.00 N ATOM 661 CA HIS A 49 -5.291 4.798 -2.151 1.00 0.00 C ATOM 662 C HIS A 49 -4.705 3.655 -3.016 1.00 0.00 C ATOM 663 O HIS A 49 -4.295 3.874 -4.133 1.00 0.00 O ATOM 664 CB HIS A 49 -6.300 5.615 -2.976 1.00 0.00 C ATOM 665 CG HIS A 49 -7.294 4.758 -3.722 1.00 0.00 C ATOM 666 ND1 HIS A 49 -8.120 3.814 -3.113 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.637 4.747 -5.045 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.910 3.287 -4.088 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.649 3.824 -5.272 1.00 0.00 N ATOM 0 H HIS A 49 -4.279 6.680 -2.180 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.755 4.332 -1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.839 6.290 -2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.758 6.235 -3.690 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -8.130 3.565 -2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.185 5.367 -5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.657 2.526 -3.918 1.00 0.00 H new ATOM 678 N VAL A 50 -4.692 2.424 -2.513 1.00 0.00 N ATOM 679 CA VAL A 50 -4.164 1.278 -3.342 1.00 0.00 C ATOM 680 C VAL A 50 -5.001 0.034 -3.056 1.00 0.00 C ATOM 681 O VAL A 50 -5.898 0.057 -2.233 1.00 0.00 O ATOM 682 CB VAL A 50 -2.669 0.988 -3.034 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.992 2.255 -2.544 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.512 -0.105 -1.960 1.00 0.00 C ATOM 0 H VAL A 50 -5.019 2.172 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.236 1.551 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.204 0.638 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.944 2.048 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.059 3.024 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.486 2.604 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.453 -0.280 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.996 0.218 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.976 -1.028 -2.309 1.00 0.00 H new ATOM 694 N TYR A 51 -4.716 -1.050 -3.731 1.00 0.00 N ATOM 695 CA TYR A 51 -5.478 -2.306 -3.526 1.00 0.00 C ATOM 696 C TYR A 51 -4.506 -3.442 -3.172 1.00 0.00 C ATOM 697 O TYR A 51 -3.751 -3.931 -3.988 1.00 0.00 O ATOM 698 CB TYR A 51 -6.192 -2.601 -4.831 1.00 0.00 C ATOM 699 CG TYR A 51 -7.165 -1.483 -5.128 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.335 -1.323 -4.362 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.887 -0.582 -6.164 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.210 -0.269 -4.647 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.763 0.454 -6.430 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.915 0.615 -5.685 1.00 0.00 C ATOM 705 OH TYR A 51 -9.756 1.654 -6.000 1.00 0.00 O ATOM 0 H TYR A 51 -3.973 -1.113 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.195 -2.213 -2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.469 -2.695 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.721 -3.552 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.556 -2.010 -3.559 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.990 -0.696 -6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.111 -0.140 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.544 1.146 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.226 2.440 -6.249 1.00 0.00 H new ATOM 715 N VAL A 52 -4.562 -3.869 -1.942 1.00 0.00 N ATOM 716 CA VAL A 52 -3.689 -4.985 -1.480 1.00 0.00 C ATOM 717 C VAL A 52 -4.369 -6.302 -1.819 1.00 0.00 C ATOM 718 O VAL A 52 -5.554 -6.467 -1.603 1.00 0.00 O ATOM 719 CB VAL A 52 -3.507 -4.930 0.033 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.608 -6.087 0.485 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.880 -3.595 0.454 1.00 0.00 C ATOM 0 H VAL A 52 -5.183 -3.488 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.718 -4.899 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.485 -5.019 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.479 -6.046 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.070 -7.035 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.635 -6.003 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.758 -3.576 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.906 -3.484 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.529 -2.775 0.147 1.00 0.00 H new ATOM 731 N ASN A 53 -3.645 -7.253 -2.325 1.00 0.00 N ATOM 732 CA ASN A 53 -4.297 -8.550 -2.644 1.00 0.00 C ATOM 733 C ASN A 53 -4.989 -9.056 -1.369 1.00 0.00 C ATOM 734 O ASN A 53 -4.365 -9.239 -0.351 1.00 0.00 O ATOM 735 CB ASN A 53 -3.249 -9.553 -3.128 1.00 0.00 C ATOM 736 CG ASN A 53 -3.818 -10.975 -3.135 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.983 -11.185 -2.863 1.00 0.00 O ATOM 738 ND2 ASN A 53 -3.032 -11.967 -3.454 1.00 0.00 N ATOM 0 H ASN A 53 -2.647 -7.194 -2.530 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.033 -8.427 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.918 -9.284 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.373 -9.511 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.396 -12.920 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.054 -11.790 -3.682 1.00 0.00 H new ATOM 745 N GLU A 54 -6.282 -9.228 -1.426 1.00 0.00 N ATOM 746 CA GLU A 54 -7.062 -9.681 -0.232 1.00 0.00 C ATOM 747 C GLU A 54 -6.398 -10.876 0.466 1.00 0.00 C ATOM 748 O GLU A 54 -6.896 -11.359 1.468 1.00 0.00 O ATOM 749 CB GLU A 54 -8.459 -10.099 -0.682 1.00 0.00 C ATOM 750 CG GLU A 54 -8.344 -11.102 -1.834 1.00 0.00 C ATOM 751 CD GLU A 54 -9.727 -11.670 -2.158 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.147 -12.583 -1.465 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.341 -11.183 -3.094 1.00 0.00 O ATOM 0 H GLU A 54 -6.843 -9.072 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.104 -8.852 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.003 -10.546 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.027 -9.225 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.924 -10.614 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.663 -11.908 -1.561 1.00 0.00 H new ATOM 760 N ALA A 55 -5.296 -11.372 -0.026 1.00 0.00 N ATOM 761 CA ALA A 55 -4.643 -12.544 0.628 1.00 0.00 C ATOM 762 C ALA A 55 -3.635 -12.095 1.696 1.00 0.00 C ATOM 763 O ALA A 55 -3.182 -12.900 2.475 1.00 0.00 O ATOM 764 CB ALA A 55 -3.916 -13.379 -0.428 1.00 0.00 C ATOM 0 H ALA A 55 -4.818 -11.016 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.418 -13.138 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.439 -14.235 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.632 -13.731 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.158 -12.767 -0.917 1.00 0.00 H new ATOM 770 N PHE A 56 -3.266 -10.836 1.749 1.00 0.00 N ATOM 771 CA PHE A 56 -2.284 -10.363 2.779 1.00 0.00 C ATOM 772 C PHE A 56 -3.006 -9.354 3.675 1.00 0.00 C ATOM 773 O PHE A 56 -2.494 -8.900 4.669 1.00 0.00 O ATOM 774 CB PHE A 56 -1.131 -9.677 2.034 1.00 0.00 C ATOM 775 CG PHE A 56 -0.368 -10.719 1.233 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.953 -11.315 0.110 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.920 -11.095 1.632 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.252 -12.287 -0.608 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.622 -12.063 0.905 1.00 0.00 C ATOM 780 CZ PHE A 56 1.033 -12.665 -0.207 1.00 0.00 C ATOM 0 H PHE A 56 -3.606 -10.110 1.118 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.896 -11.181 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.519 -8.903 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.465 -9.185 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.945 -11.024 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.372 -10.638 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.703 -12.747 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.621 -12.344 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.570 -13.423 -0.758 1.00 0.00 H new ATOM 790 N THR A 57 -4.204 -9.006 3.296 1.00 0.00 N ATOM 791 CA THR A 57 -5.012 -8.021 4.071 1.00 0.00 C ATOM 792 C THR A 57 -5.484 -8.618 5.393 1.00 0.00 C ATOM 793 O THR A 57 -5.502 -7.950 6.410 1.00 0.00 O ATOM 794 CB THR A 57 -6.250 -7.635 3.259 1.00 0.00 C ATOM 795 OG1 THR A 57 -6.929 -8.813 2.841 1.00 0.00 O ATOM 796 CG2 THR A 57 -5.831 -6.833 2.035 1.00 0.00 C ATOM 0 H THR A 57 -4.667 -9.371 2.464 1.00 0.00 H new ATOM 0 HA THR A 57 -4.385 -7.152 4.271 1.00 0.00 H new ATOM 0 HB THR A 57 -6.913 -7.031 3.878 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.856 -8.593 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.715 -6.560 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.311 -5.929 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.166 -7.435 1.416 1.00 0.00 H new ATOM 804 N ASP A 58 -5.895 -9.857 5.403 1.00 0.00 N ATOM 805 CA ASP A 58 -6.394 -10.469 6.670 1.00 0.00 C ATOM 806 C ASP A 58 -5.237 -11.099 7.436 1.00 0.00 C ATOM 807 O ASP A 58 -5.427 -11.750 8.442 1.00 0.00 O ATOM 808 CB ASP A 58 -7.441 -11.536 6.340 1.00 0.00 C ATOM 809 CG ASP A 58 -6.771 -12.710 5.623 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.081 -12.467 4.648 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.961 -13.832 6.064 1.00 0.00 O ATOM 0 H ASP A 58 -5.907 -10.472 4.590 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.846 -9.695 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.922 -11.882 7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.222 -11.110 5.710 1.00 0.00 H new ATOM 816 N LYS A 59 -4.041 -10.914 6.950 1.00 0.00 N ATOM 817 CA LYS A 59 -2.846 -11.496 7.627 1.00 0.00 C ATOM 818 C LYS A 59 -2.012 -10.355 8.227 1.00 0.00 C ATOM 819 O LYS A 59 -1.564 -10.426 9.349 1.00 0.00 O ATOM 820 CB LYS A 59 -2.046 -12.271 6.576 1.00 0.00 C ATOM 821 CG LYS A 59 -3.034 -12.937 5.587 1.00 0.00 C ATOM 822 CD LYS A 59 -2.353 -14.062 4.788 1.00 0.00 C ATOM 823 CE LYS A 59 -1.800 -15.156 5.715 1.00 0.00 C ATOM 824 NZ LYS A 59 -1.967 -16.482 5.053 1.00 0.00 N ATOM 0 H LYS A 59 -3.838 -10.380 6.105 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.131 -12.171 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.374 -11.599 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.426 -13.028 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.884 -13.342 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.426 -12.186 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.069 -14.500 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.542 -13.646 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.747 -14.972 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.326 -15.143 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.595 -17.229 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.976 -16.654 4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.446 -16.489 4.153 1.00 0.00 H new ATOM 838 N VAL A 60 -1.811 -9.304 7.479 1.00 0.00 N ATOM 839 CA VAL A 60 -1.010 -8.152 7.997 1.00 0.00 C ATOM 840 C VAL A 60 -1.853 -7.465 9.106 1.00 0.00 C ATOM 841 O VAL A 60 -3.043 -7.693 9.207 1.00 0.00 O ATOM 842 CB VAL A 60 -0.641 -7.225 6.785 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.430 -5.896 6.808 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.903 -6.958 6.696 1.00 0.00 C ATOM 0 H VAL A 60 -2.167 -9.191 6.530 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.064 -8.447 8.451 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.935 -7.766 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.142 -5.287 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.498 -6.106 6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.207 -5.356 7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.112 -6.312 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.241 -6.472 7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.429 -7.904 6.572 1.00 0.00 H new ATOM 854 N PRO A 61 -1.239 -6.696 9.979 1.00 0.00 N ATOM 855 CA PRO A 61 -1.955 -6.056 11.130 1.00 0.00 C ATOM 856 C PRO A 61 -3.169 -5.187 10.743 1.00 0.00 C ATOM 857 O PRO A 61 -3.051 -4.185 10.068 1.00 0.00 O ATOM 858 CB PRO A 61 -0.878 -5.225 11.865 1.00 0.00 C ATOM 859 CG PRO A 61 0.360 -5.244 11.006 1.00 0.00 C ATOM 860 CD PRO A 61 0.191 -6.354 9.956 1.00 0.00 C ATOM 0 HA PRO A 61 -2.400 -6.831 11.755 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.222 -4.203 12.023 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.671 -5.647 12.848 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.502 -4.278 10.521 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.245 -5.428 11.616 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.497 -6.011 8.968 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.807 -7.221 10.197 1.00 0.00 H new ATOM 868 N ALA A 62 -4.334 -5.590 11.191 1.00 0.00 N ATOM 869 CA ALA A 62 -5.586 -4.854 10.905 1.00 0.00 C ATOM 870 C ALA A 62 -5.368 -3.353 11.013 1.00 0.00 C ATOM 871 O ALA A 62 -4.815 -2.841 11.972 1.00 0.00 O ATOM 872 CB ALA A 62 -6.654 -5.278 11.919 1.00 0.00 C ATOM 0 H ALA A 62 -4.462 -6.427 11.760 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.907 -5.088 9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.581 -4.741 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.830 -6.350 11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.312 -5.044 12.927 1.00 0.00 H new ATOM 878 N ALA A 63 -5.823 -2.661 10.029 1.00 0.00 N ATOM 879 CA ALA A 63 -5.696 -1.174 10.007 1.00 0.00 C ATOM 880 C ALA A 63 -6.592 -0.555 11.091 1.00 0.00 C ATOM 881 O ALA A 63 -6.948 -1.206 12.056 1.00 0.00 O ATOM 882 CB ALA A 63 -6.127 -0.657 8.635 1.00 0.00 C ATOM 0 H ALA A 63 -6.290 -3.060 9.215 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.660 -0.896 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.037 0.429 8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.489 -1.091 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.163 -0.940 8.449 1.00 0.00 H new ATOM 888 N ASN A 64 -6.938 0.710 10.952 1.00 0.00 N ATOM 889 CA ASN A 64 -7.795 1.392 11.984 1.00 0.00 C ATOM 890 C ASN A 64 -9.028 2.047 11.334 1.00 0.00 C ATOM 891 O ASN A 64 -9.037 2.397 10.176 1.00 0.00 O ATOM 892 CB ASN A 64 -6.959 2.456 12.706 1.00 0.00 C ATOM 893 CG ASN A 64 -5.911 3.034 11.756 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.086 2.311 11.236 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.910 4.315 11.497 1.00 0.00 N ATOM 0 H ASN A 64 -6.663 1.300 10.167 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.147 0.647 12.697 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.607 3.252 13.073 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.470 2.017 13.576 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.217 4.706 10.859 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.602 4.924 11.933 1.00 0.00 H new ATOM 902 N GLU A 65 -10.067 2.185 12.120 1.00 0.00 N ATOM 903 CA GLU A 65 -11.356 2.783 11.640 1.00 0.00 C ATOM 904 C GLU A 65 -11.196 4.269 11.292 1.00 0.00 C ATOM 905 O GLU A 65 -12.095 4.874 10.734 1.00 0.00 O ATOM 906 CB GLU A 65 -12.403 2.635 12.748 1.00 0.00 C ATOM 907 CG GLU A 65 -11.969 3.454 13.962 1.00 0.00 C ATOM 908 CD GLU A 65 -12.824 3.071 15.176 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.565 2.028 15.750 1.00 0.00 O ATOM 910 OE2 GLU A 65 -13.721 3.830 15.502 1.00 0.00 O ATOM 0 H GLU A 65 -10.077 1.901 13.100 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.666 2.259 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.376 2.976 12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.513 1.586 13.023 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.915 3.275 14.176 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.075 4.518 13.752 1.00 0.00 H new ATOM 917 N ARG A 66 -10.075 4.864 11.573 1.00 0.00 N ATOM 918 CA ARG A 66 -9.905 6.297 11.217 1.00 0.00 C ATOM 919 C ARG A 66 -9.657 6.385 9.710 1.00 0.00 C ATOM 920 O ARG A 66 -10.007 7.351 9.068 1.00 0.00 O ATOM 921 CB ARG A 66 -8.713 6.911 11.983 1.00 0.00 C ATOM 922 CG ARG A 66 -8.588 6.320 13.400 1.00 0.00 C ATOM 923 CD ARG A 66 -9.774 6.737 14.269 1.00 0.00 C ATOM 924 NE ARG A 66 -9.618 8.165 14.673 1.00 0.00 N ATOM 925 CZ ARG A 66 -10.430 8.684 15.559 1.00 0.00 C ATOM 926 NH1 ARG A 66 -11.383 7.953 16.061 1.00 0.00 N ATOM 927 NH2 ARG A 66 -10.294 9.934 15.932 1.00 0.00 N ATOM 0 H ARG A 66 -9.275 4.426 12.030 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.801 6.854 11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.792 6.730 11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.839 7.992 12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.538 5.233 13.342 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.659 6.658 13.859 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.706 6.603 13.719 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.832 6.102 15.153 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.880 8.735 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.493 6.984 15.764 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.020 8.350 16.752 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.552 10.508 15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.930 10.332 16.623 1.00 0.00 H new ATOM 941 N GLU A 67 -9.049 5.377 9.154 1.00 0.00 N ATOM 942 CA GLU A 67 -8.758 5.371 7.693 1.00 0.00 C ATOM 943 C GLU A 67 -10.034 5.032 6.924 1.00 0.00 C ATOM 944 O GLU A 67 -10.286 5.566 5.859 1.00 0.00 O ATOM 945 CB GLU A 67 -7.694 4.313 7.406 1.00 0.00 C ATOM 946 CG GLU A 67 -6.457 4.574 8.269 1.00 0.00 C ATOM 947 CD GLU A 67 -5.579 3.325 8.279 1.00 0.00 C ATOM 948 OE1 GLU A 67 -5.847 2.437 7.485 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.652 3.278 9.070 1.00 0.00 O ATOM 0 H GLU A 67 -8.737 4.545 9.655 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.398 6.352 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.091 3.319 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.423 4.333 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.898 5.423 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.756 4.831 9.285 1.00 0.00 H new ATOM 956 N ILE A 68 -10.846 4.153 7.452 1.00 0.00 N ATOM 957 CA ILE A 68 -12.116 3.782 6.754 1.00 0.00 C ATOM 958 C ILE A 68 -12.818 5.076 6.313 1.00 0.00 C ATOM 959 O ILE A 68 -13.317 5.191 5.215 1.00 0.00 O ATOM 960 CB ILE A 68 -13.006 2.977 7.735 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.606 1.491 7.701 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.488 3.097 7.346 1.00 0.00 C ATOM 963 CD1 ILE A 68 -11.093 1.344 7.879 1.00 0.00 C ATOM 0 H ILE A 68 -10.685 3.674 8.338 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.919 3.166 5.877 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.862 3.383 8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.126 0.949 8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.913 1.046 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.096 2.525 8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.788 4.144 7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.632 2.707 6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.824 0.288 7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.579 1.869 7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.796 1.770 8.837 1.00 0.00 H new ATOM 975 N GLY A 69 -12.855 6.038 7.192 1.00 0.00 N ATOM 976 CA GLY A 69 -13.521 7.331 6.852 1.00 0.00 C ATOM 977 C GLY A 69 -12.703 8.096 5.802 1.00 0.00 C ATOM 978 O GLY A 69 -13.250 8.815 4.989 1.00 0.00 O ATOM 0 H GLY A 69 -12.455 5.988 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.525 7.141 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.630 7.938 7.751 1.00 0.00 H new ATOM 982 N MET A 70 -11.406 7.923 5.780 1.00 0.00 N ATOM 983 CA MET A 70 -10.586 8.614 4.738 1.00 0.00 C ATOM 984 C MET A 70 -10.677 7.795 3.459 1.00 0.00 C ATOM 985 O MET A 70 -10.729 8.320 2.362 1.00 0.00 O ATOM 986 CB MET A 70 -9.126 8.699 5.194 1.00 0.00 C ATOM 987 CG MET A 70 -9.047 9.370 6.565 1.00 0.00 C ATOM 988 SD MET A 70 -7.321 9.395 7.128 1.00 0.00 S ATOM 989 CE MET A 70 -7.610 8.994 8.865 1.00 0.00 C ATOM 0 H MET A 70 -10.883 7.339 6.432 1.00 0.00 H new ATOM 0 HA MET A 70 -10.955 9.626 4.573 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.693 7.700 5.243 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.542 9.265 4.468 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.437 10.386 6.507 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.667 8.831 7.282 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.889 9.526 9.486 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.620 9.293 9.144 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.495 7.920 9.015 1.00 0.00 H new ATOM 999 N LEU A 71 -10.709 6.497 3.603 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.811 5.606 2.413 1.00 0.00 C ATOM 1001 C LEU A 71 -12.125 5.917 1.698 1.00 0.00 C ATOM 1002 O LEU A 71 -12.237 5.769 0.501 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.771 4.138 2.896 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.328 3.574 2.804 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.126 2.459 3.829 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.073 2.996 1.402 1.00 0.00 C ATOM 0 H LEU A 71 -10.669 6.014 4.500 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.985 5.766 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.126 4.078 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.444 3.531 2.290 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.633 4.390 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.109 2.074 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.290 2.853 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.835 1.654 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.058 2.603 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.783 2.193 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.197 3.781 0.657 1.00 0.00 H new ATOM 1018 N GLU A 72 -13.114 6.371 2.416 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.403 6.714 1.760 1.00 0.00 C ATOM 1020 C GLU A 72 -14.218 8.063 1.046 1.00 0.00 C ATOM 1021 O GLU A 72 -15.142 8.644 0.513 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.492 6.810 2.839 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.882 6.759 2.195 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.130 5.359 1.625 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.274 4.439 2.413 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.169 5.231 0.414 1.00 0.00 O ATOM 0 H GLU A 72 -13.085 6.518 3.425 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.700 5.957 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.383 5.991 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.377 7.737 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.646 7.003 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.955 7.504 1.403 1.00 0.00 H new ATOM 1033 N CYS A 73 -13.007 8.565 1.076 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.697 9.893 0.447 1.00 0.00 C ATOM 1035 C CYS A 73 -11.687 9.738 -0.711 1.00 0.00 C ATOM 1036 O CYS A 73 -11.085 10.704 -1.134 1.00 0.00 O ATOM 1037 CB CYS A 73 -12.116 10.814 1.552 1.00 0.00 C ATOM 1038 SG CYS A 73 -13.163 12.283 1.749 1.00 0.00 S ATOM 0 H CYS A 73 -12.208 8.107 1.515 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.605 10.325 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -12.056 10.271 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -11.101 11.113 1.291 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.669 13.046 2.678 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.478 8.549 -1.224 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.487 8.370 -2.340 1.00 0.00 C ATOM 1046 C VAL A 74 -11.026 8.913 -3.666 1.00 0.00 C ATOM 1047 O VAL A 74 -12.201 9.189 -3.816 1.00 0.00 O ATOM 1048 CB VAL A 74 -10.221 6.879 -2.528 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.508 6.334 -1.285 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.560 6.130 -2.726 1.00 0.00 C ATOM 0 H VAL A 74 -11.948 7.696 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.581 8.914 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.594 6.729 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.315 5.269 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.563 6.860 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.138 6.485 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.365 5.066 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.192 6.276 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.068 6.520 -3.608 1.00 0.00 H new ATOM 1060 N THR A 75 -10.160 9.059 -4.643 1.00 0.00 N ATOM 1061 CA THR A 75 -10.600 9.576 -5.976 1.00 0.00 C ATOM 1062 C THR A 75 -11.075 8.423 -6.873 1.00 0.00 C ATOM 1063 O THR A 75 -11.900 8.632 -7.743 1.00 0.00 O ATOM 1064 CB THR A 75 -9.431 10.310 -6.659 1.00 0.00 C ATOM 1065 OG1 THR A 75 -8.663 10.987 -5.679 1.00 0.00 O ATOM 1066 CG2 THR A 75 -9.971 11.326 -7.671 1.00 0.00 C ATOM 0 H THR A 75 -9.166 8.841 -4.572 1.00 0.00 H new ATOM 0 HA THR A 75 -11.429 10.267 -5.824 1.00 0.00 H new ATOM 0 HB THR A 75 -8.807 9.583 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.350 10.345 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.138 11.841 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.560 10.808 -8.428 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.599 12.053 -7.157 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.572 7.212 -6.701 1.00 0.00 N ATOM 1075 CA ALA A 76 -11.016 6.078 -7.588 1.00 0.00 C ATOM 1076 C ALA A 76 -12.025 5.195 -6.828 1.00 0.00 C ATOM 1077 O ALA A 76 -12.412 5.496 -5.716 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.792 5.247 -7.996 1.00 0.00 C ATOM 0 H ALA A 76 -9.881 6.964 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.496 6.475 -8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.108 4.425 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.087 5.879 -8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.311 4.846 -7.104 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.481 4.131 -7.440 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.502 3.240 -6.786 1.00 0.00 C ATOM 1086 C GLU A 77 -12.901 2.473 -5.602 1.00 0.00 C ATOM 1087 O GLU A 77 -11.932 1.772 -5.738 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.022 2.262 -7.878 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.950 0.777 -7.458 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.658 -0.084 -8.505 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -14.507 0.205 -9.682 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.338 -1.019 -8.120 1.00 0.00 O ATOM 0 H GLU A 77 -12.191 3.835 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.320 3.836 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.055 2.514 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.439 2.403 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.910 0.466 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.418 0.641 -6.483 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.495 2.565 -4.449 1.00 0.00 N ATOM 1100 CA LEU A 78 -12.955 1.804 -3.289 1.00 0.00 C ATOM 1101 C LEU A 78 -13.346 0.341 -3.420 1.00 0.00 C ATOM 1102 O LEU A 78 -14.241 -0.032 -4.152 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.499 2.385 -1.973 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.489 2.121 -0.838 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.267 3.058 -0.982 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.165 2.326 0.522 1.00 0.00 C ATOM 0 H LEU A 78 -14.324 3.128 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.868 1.886 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.671 3.456 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.460 1.930 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.143 1.090 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.561 2.862 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.781 2.877 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.596 4.096 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.445 2.138 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.529 3.351 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.003 1.636 0.620 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.641 -0.479 -2.707 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.879 -1.939 -2.729 1.00 0.00 C ATOM 1120 C LYS A 79 -13.183 -2.393 -1.302 1.00 0.00 C ATOM 1121 O LYS A 79 -12.792 -1.747 -0.349 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.574 -2.587 -3.208 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.504 -2.640 -4.734 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.320 -3.829 -5.271 1.00 0.00 C ATOM 1125 CE LYS A 79 -12.040 -4.019 -6.763 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.582 -5.337 -7.204 1.00 0.00 N ATOM 0 H LYS A 79 -11.884 -0.187 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.710 -2.212 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.724 -2.024 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.498 -3.596 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.887 -1.710 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.466 -2.730 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.061 -4.736 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.384 -3.654 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.500 -3.214 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.968 -3.973 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.393 -5.468 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.124 -6.099 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.608 -5.364 -7.037 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.843 -3.502 -1.133 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.143 -4.023 0.215 1.00 0.00 C ATOM 1142 C PRO A 80 -12.834 -4.306 0.953 1.00 0.00 C ATOM 1143 O PRO A 80 -12.741 -4.167 2.158 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.945 -5.314 -0.033 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.663 -5.683 -1.463 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.371 -4.373 -2.194 1.00 0.00 C ATOM 0 HA PRO A 80 -14.705 -3.323 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.635 -6.107 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.011 -5.153 0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.814 -6.363 -1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.516 -6.195 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.647 -4.513 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.271 -3.956 -2.646 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.818 -4.695 0.224 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.486 -4.989 0.833 1.00 0.00 C ATOM 1156 C ASN A 81 -9.484 -3.881 0.463 1.00 0.00 C ATOM 1157 O ASN A 81 -8.286 -4.084 0.520 1.00 0.00 O ATOM 1158 CB ASN A 81 -10.005 -6.387 0.349 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.925 -6.281 -0.729 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.795 -6.676 -0.524 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.226 -5.765 -1.890 1.00 0.00 N ATOM 0 H ASN A 81 -11.858 -4.823 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.564 -5.009 1.920 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.616 -6.950 1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.854 -6.947 -0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.514 -5.696 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.173 -5.431 -2.070 1.00 0.00 H new ATOM 1168 N SER A 82 -9.945 -2.701 0.119 1.00 0.00 N ATOM 1169 CA SER A 82 -8.996 -1.603 -0.201 1.00 0.00 C ATOM 1170 C SER A 82 -8.287 -1.175 1.076 1.00 0.00 C ATOM 1171 O SER A 82 -8.826 -1.284 2.153 1.00 0.00 O ATOM 1172 CB SER A 82 -9.765 -0.422 -0.783 1.00 0.00 C ATOM 1173 OG SER A 82 -9.211 -0.108 -2.048 1.00 0.00 O ATOM 0 H SER A 82 -10.933 -2.458 0.048 1.00 0.00 H new ATOM 0 HA SER A 82 -8.262 -1.947 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.822 -0.670 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.701 0.438 -0.117 1.00 0.00 H new ATOM 0 HG SER A 82 -9.150 -0.922 -2.590 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.081 -0.702 0.957 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.336 -0.286 2.187 1.00 0.00 C ATOM 1181 C ARG A 83 -5.332 0.810 1.862 1.00 0.00 C ATOM 1182 O ARG A 83 -4.924 0.995 0.736 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.576 -1.486 2.764 1.00 0.00 C ATOM 1184 CG ARG A 83 -6.565 -2.576 3.190 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.865 -3.627 4.079 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.243 -3.386 5.494 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.685 -4.081 6.446 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -4.795 -4.990 6.157 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -6.018 -3.868 7.688 1.00 0.00 N ATOM 0 H ARG A 83 -6.579 -0.584 0.077 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.059 0.088 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.885 -1.881 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.978 -1.171 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.397 -2.128 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.984 -3.059 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.158 -4.632 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.783 -3.561 3.961 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.939 -2.677 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.535 -5.158 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.360 -5.533 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.715 -3.158 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.582 -4.411 8.433 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.923 1.524 2.871 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.926 2.608 2.678 1.00 0.00 C ATOM 1205 C LEU A 84 -2.526 1.996 2.804 1.00 0.00 C ATOM 1206 O LEU A 84 -2.324 1.028 3.512 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.148 3.671 3.764 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.576 4.250 3.674 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.681 5.461 4.605 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.908 4.688 2.233 1.00 0.00 C ATOM 0 H LEU A 84 -5.242 1.400 3.832 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.030 3.074 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.990 3.231 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.417 4.472 3.651 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.285 3.477 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.687 5.877 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.473 5.152 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.958 6.218 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.920 5.092 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.201 5.454 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.838 3.829 1.566 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.565 2.522 2.088 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.188 1.938 2.121 1.00 0.00 C ATOM 1224 C CYS A 85 0.668 2.567 3.240 1.00 0.00 C ATOM 1225 O CYS A 85 1.682 2.021 3.624 1.00 0.00 O ATOM 1226 CB CYS A 85 0.482 2.177 0.763 1.00 0.00 C ATOM 1227 SG CYS A 85 1.657 0.846 0.414 1.00 0.00 S ATOM 0 H CYS A 85 -1.674 3.333 1.480 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.268 0.870 2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.273 2.223 -0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.997 3.137 0.766 1.00 0.00 H new ATOM 0 HG CYS A 85 2.219 1.055 -0.739 1.00 0.00 H new ATOM 1233 N CYS A 86 0.297 3.710 3.746 1.00 0.00 N ATOM 1234 CA CYS A 86 1.136 4.343 4.815 1.00 0.00 C ATOM 1235 C CYS A 86 0.799 3.753 6.192 1.00 0.00 C ATOM 1236 O CYS A 86 1.220 4.273 7.208 1.00 0.00 O ATOM 1237 CB CYS A 86 0.909 5.858 4.829 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.762 6.230 5.413 1.00 0.00 S ATOM 0 H CYS A 86 -0.537 4.231 3.474 1.00 0.00 H new ATOM 0 HA CYS A 86 2.184 4.137 4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.644 6.338 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.052 6.264 3.828 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.942 7.517 5.422 1.00 0.00 H new ATOM 1243 N GLN A 87 0.057 2.670 6.239 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.288 2.045 7.567 1.00 0.00 C ATOM 1245 C GLN A 87 -0.144 0.512 7.499 1.00 0.00 C ATOM 1246 O GLN A 87 -0.661 -0.203 8.335 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.728 2.418 7.943 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.719 1.807 6.936 1.00 0.00 C ATOM 1249 CD GLN A 87 -3.142 0.404 7.381 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -3.305 0.155 8.562 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -3.333 -0.524 6.492 1.00 0.00 N ATOM 0 H GLN A 87 -0.324 2.191 5.423 1.00 0.00 H new ATOM 0 HA GLN A 87 0.399 2.421 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.953 2.060 8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.838 3.502 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.597 2.447 6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.259 1.758 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.197 -0.318 5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.619 -1.459 6.784 1.00 0.00 H new ATOM 1260 N ILE A 88 0.563 0.012 6.511 1.00 0.00 N ATOM 1261 CA ILE A 88 0.757 -1.481 6.376 1.00 0.00 C ATOM 1262 C ILE A 88 2.215 -1.864 6.688 1.00 0.00 C ATOM 1263 O ILE A 88 3.139 -1.333 6.114 1.00 0.00 O ATOM 1264 CB ILE A 88 0.375 -1.924 4.964 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.127 -1.667 4.765 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.686 -3.419 4.809 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -1.558 -2.070 3.359 1.00 0.00 C ATOM 0 H ILE A 88 1.017 0.570 5.788 1.00 0.00 H new ATOM 0 HA ILE A 88 0.112 -1.990 7.092 1.00 0.00 H new ATOM 0 HB ILE A 88 0.940 -1.367 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.699 -2.231 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.346 -0.612 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.417 -3.744 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.750 -3.588 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.112 -3.988 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.624 -1.881 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.000 -1.487 2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.358 -3.131 3.207 1.00 0.00 H new ATOM 1279 N ILE A 89 2.410 -2.774 7.618 1.00 0.00 N ATOM 1280 CA ILE A 89 3.795 -3.198 8.034 1.00 0.00 C ATOM 1281 C ILE A 89 4.203 -4.517 7.376 1.00 0.00 C ATOM 1282 O ILE A 89 3.542 -5.527 7.521 1.00 0.00 O ATOM 1283 CB ILE A 89 3.810 -3.433 9.545 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.251 -2.207 10.281 1.00 0.00 C ATOM 1285 CG2 ILE A 89 5.244 -3.710 10.013 1.00 0.00 C ATOM 1286 CD1 ILE A 89 4.003 -0.938 9.872 1.00 0.00 C ATOM 0 H ILE A 89 1.657 -3.250 8.115 1.00 0.00 H new ATOM 0 HA ILE A 89 4.484 -2.410 7.732 1.00 0.00 H new ATOM 0 HB ILE A 89 3.183 -4.295 9.772 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.190 -2.095 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.335 -2.354 11.358 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.249 -3.877 11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.627 -4.596 9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.876 -2.854 9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.590 -0.082 10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.059 -1.045 10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.896 -0.782 8.799 1.00 0.00 H new ATOM 1298 N MET A 90 5.282 -4.521 6.633 1.00 0.00 N ATOM 1299 CA MET A 90 5.711 -5.779 5.970 1.00 0.00 C ATOM 1300 C MET A 90 6.414 -6.711 6.957 1.00 0.00 C ATOM 1301 O MET A 90 6.986 -6.291 7.945 1.00 0.00 O ATOM 1302 CB MET A 90 6.662 -5.470 4.807 1.00 0.00 C ATOM 1303 CG MET A 90 6.477 -6.544 3.736 1.00 0.00 C ATOM 1304 SD MET A 90 4.889 -6.253 2.911 1.00 0.00 S ATOM 1305 CE MET A 90 4.110 -7.855 3.245 1.00 0.00 C ATOM 0 H MET A 90 5.877 -3.711 6.461 1.00 0.00 H new ATOM 0 HA MET A 90 4.817 -6.275 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.450 -4.483 4.395 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.695 -5.455 5.155 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.293 -6.506 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.495 -7.537 4.186 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.045 -7.796 3.020 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.571 -8.621 2.621 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.245 -8.113 4.295 1.00 0.00 H new ATOM 1315 N THR A 91 6.398 -7.978 6.657 1.00 0.00 N ATOM 1316 CA THR A 91 7.083 -8.989 7.520 1.00 0.00 C ATOM 1317 C THR A 91 7.544 -10.120 6.599 1.00 0.00 C ATOM 1318 O THR A 91 6.897 -10.403 5.610 1.00 0.00 O ATOM 1319 CB THR A 91 6.113 -9.548 8.564 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.874 -9.857 7.938 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.890 -8.523 9.672 1.00 0.00 C ATOM 0 H THR A 91 5.932 -8.366 5.837 1.00 0.00 H new ATOM 0 HA THR A 91 7.922 -8.534 8.048 1.00 0.00 H new ATOM 0 HB THR A 91 6.536 -10.452 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.252 -10.217 8.604 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.199 -8.930 10.410 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.841 -8.294 10.153 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.471 -7.612 9.246 1.00 0.00 H new ATOM 1329 N PRO A 92 8.645 -10.762 6.885 1.00 0.00 N ATOM 1330 CA PRO A 92 9.151 -11.861 6.021 1.00 0.00 C ATOM 1331 C PRO A 92 8.091 -12.950 5.827 1.00 0.00 C ATOM 1332 O PRO A 92 7.903 -13.457 4.737 1.00 0.00 O ATOM 1333 CB PRO A 92 10.386 -12.400 6.780 1.00 0.00 C ATOM 1334 CG PRO A 92 10.273 -11.859 8.171 1.00 0.00 C ATOM 1335 CD PRO A 92 9.520 -10.540 8.045 1.00 0.00 C ATOM 0 HA PRO A 92 9.399 -11.521 5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.399 -13.490 6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.311 -12.072 6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.738 -12.554 8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.258 -11.706 8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.947 -10.316 8.945 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.199 -9.703 7.883 1.00 0.00 H new ATOM 1343 N GLU A 93 7.405 -13.319 6.865 1.00 0.00 N ATOM 1344 CA GLU A 93 6.372 -14.380 6.721 1.00 0.00 C ATOM 1345 C GLU A 93 5.361 -13.977 5.644 1.00 0.00 C ATOM 1346 O GLU A 93 4.865 -14.812 4.909 1.00 0.00 O ATOM 1347 CB GLU A 93 5.661 -14.590 8.058 1.00 0.00 C ATOM 1348 CG GLU A 93 5.372 -13.235 8.707 1.00 0.00 C ATOM 1349 CD GLU A 93 4.354 -13.419 9.836 1.00 0.00 C ATOM 1350 OE1 GLU A 93 4.756 -13.837 10.908 1.00 0.00 O ATOM 1351 OE2 GLU A 93 3.189 -13.142 9.597 1.00 0.00 O ATOM 0 H GLU A 93 7.512 -12.936 7.804 1.00 0.00 H new ATOM 0 HA GLU A 93 6.851 -15.313 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.730 -15.136 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.281 -15.196 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.293 -12.803 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.985 -12.538 7.963 1.00 0.00 H new ATOM 1358 N LEU A 94 5.028 -12.711 5.544 1.00 0.00 N ATOM 1359 CA LEU A 94 4.021 -12.292 4.505 1.00 0.00 C ATOM 1360 C LEU A 94 4.732 -12.002 3.188 1.00 0.00 C ATOM 1361 O LEU A 94 4.239 -11.279 2.346 1.00 0.00 O ATOM 1362 CB LEU A 94 3.243 -11.030 4.983 1.00 0.00 C ATOM 1363 CG LEU A 94 1.950 -11.445 5.720 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.346 -10.237 6.453 1.00 0.00 C ATOM 1365 CD2 LEU A 94 0.908 -12.002 4.713 1.00 0.00 C ATOM 0 H LEU A 94 5.400 -11.959 6.124 1.00 0.00 H new ATOM 0 HA LEU A 94 3.308 -13.103 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.872 -10.435 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.996 -10.401 4.128 1.00 0.00 H new ATOM 0 HG LEU A 94 2.203 -12.220 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.435 -10.542 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.064 -9.856 7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.110 -9.455 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.003 -12.290 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.666 -11.235 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.322 -12.873 4.205 1.00 0.00 H new ATOM 1377 N ASP A 95 5.900 -12.542 3.004 1.00 0.00 N ATOM 1378 CA ASP A 95 6.648 -12.296 1.740 1.00 0.00 C ATOM 1379 C ASP A 95 5.809 -12.734 0.521 1.00 0.00 C ATOM 1380 O ASP A 95 5.171 -13.769 0.536 1.00 0.00 O ATOM 1381 CB ASP A 95 7.951 -13.099 1.767 1.00 0.00 C ATOM 1382 CG ASP A 95 7.634 -14.590 1.910 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.776 -14.920 2.716 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.257 -15.376 1.213 1.00 0.00 O ATOM 0 H ASP A 95 6.373 -13.146 3.676 1.00 0.00 H new ATOM 0 HA ASP A 95 6.861 -11.230 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.517 -12.924 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.576 -12.769 2.597 1.00 0.00 H new ATOM 1389 N GLY A 96 5.828 -11.951 -0.517 1.00 0.00 N ATOM 1390 CA GLY A 96 5.069 -12.284 -1.771 1.00 0.00 C ATOM 1391 C GLY A 96 3.862 -11.351 -1.915 1.00 0.00 C ATOM 1392 O GLY A 96 3.064 -11.488 -2.817 1.00 0.00 O ATOM 0 H GLY A 96 6.346 -11.073 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.722 -12.185 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.736 -13.321 -1.740 1.00 0.00 H new ATOM 1396 N ILE A 97 3.679 -10.461 -0.978 1.00 0.00 N ATOM 1397 CA ILE A 97 2.462 -9.577 -1.011 1.00 0.00 C ATOM 1398 C ILE A 97 2.321 -8.811 -2.340 1.00 0.00 C ATOM 1399 O ILE A 97 3.266 -8.256 -2.859 1.00 0.00 O ATOM 1400 CB ILE A 97 2.489 -8.619 0.200 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.135 -7.881 0.315 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.655 -7.618 0.115 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.974 -6.735 -0.687 1.00 0.00 C ATOM 0 H ILE A 97 4.311 -10.303 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 97 1.580 -10.213 -0.943 1.00 0.00 H new ATOM 0 HB ILE A 97 2.648 -9.215 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.327 -8.597 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.031 -7.486 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.637 -6.963 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.600 -8.161 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.556 -7.020 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.001 -6.264 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.761 -5.998 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.046 -7.126 -1.702 1.00 0.00 H new ATOM 1415 N VAL A 98 1.129 -8.813 -2.905 1.00 0.00 N ATOM 1416 CA VAL A 98 0.899 -8.106 -4.218 1.00 0.00 C ATOM 1417 C VAL A 98 0.066 -6.834 -3.994 1.00 0.00 C ATOM 1418 O VAL A 98 -1.039 -6.887 -3.490 1.00 0.00 O ATOM 1419 CB VAL A 98 0.146 -9.042 -5.172 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.274 -8.543 -6.611 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.733 -10.454 -5.068 1.00 0.00 C ATOM 0 H VAL A 98 0.306 -9.273 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 98 1.862 -7.831 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.908 -9.059 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.265 -9.216 -7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.148 -7.541 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.326 -8.516 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.199 -11.121 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.788 -10.430 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.629 -10.817 -4.045 1.00 0.00 H new ATOM 1431 N VAL A 99 0.598 -5.689 -4.350 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.135 -4.397 -4.156 1.00 0.00 C ATOM 1433 C VAL A 99 -0.633 -3.867 -5.497 1.00 0.00 C ATOM 1434 O VAL A 99 0.126 -3.721 -6.439 1.00 0.00 O ATOM 1435 CB VAL A 99 0.830 -3.344 -3.577 1.00 0.00 C ATOM 1436 CG1 VAL A 99 0.027 -2.224 -2.915 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.774 -3.965 -2.541 1.00 0.00 C ATOM 0 H VAL A 99 1.521 -5.594 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.974 -4.576 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 99 1.429 -2.946 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.710 -1.480 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.621 -1.754 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.582 -2.639 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.442 -3.197 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.190 -4.387 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.362 -4.753 -3.011 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.896 -3.580 -5.599 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.470 -3.054 -6.879 1.00 0.00 C ATOM 1449 C ASP A 100 -2.719 -1.546 -6.733 1.00 0.00 C ATOM 1450 O ASP A 100 -3.424 -1.095 -5.855 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.773 -3.820 -7.190 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.501 -4.953 -8.192 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.903 -5.939 -7.792 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.897 -4.813 -9.334 1.00 0.00 O ATOM 0 H ASP A 100 -2.571 -3.687 -4.842 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.779 -3.203 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.189 -4.231 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.516 -3.135 -7.598 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.119 -0.772 -7.606 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.267 0.717 -7.566 1.00 0.00 C ATOM 1461 C VAL A 101 -3.100 1.184 -8.781 1.00 0.00 C ATOM 1462 O VAL A 101 -2.850 0.759 -9.895 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.877 1.352 -7.639 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.985 2.859 -7.402 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.021 0.733 -6.562 1.00 0.00 C ATOM 0 H VAL A 101 -1.522 -1.117 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.768 1.014 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.449 1.171 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.007 3.308 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.625 3.302 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.414 3.043 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.012 1.184 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.412 0.916 -5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.102 -0.341 -6.729 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.086 2.041 -8.595 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.948 2.539 -9.719 1.00 0.00 C ATOM 1477 C PRO A 102 -4.324 3.684 -10.530 1.00 0.00 C ATOM 1478 O PRO A 102 -3.187 4.068 -10.348 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.187 3.061 -8.992 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.667 3.554 -7.683 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.508 2.626 -7.308 1.00 0.00 C ATOM 0 HA PRO A 102 -5.126 1.748 -10.448 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.671 3.860 -9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.928 2.274 -8.854 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.329 4.587 -7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.446 3.532 -6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.695 3.175 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.825 1.856 -6.605 1.00 0.00 H new ATOM 1489 N ASP A 103 -5.114 4.236 -11.414 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.657 5.378 -12.249 1.00 0.00 C ATOM 1491 C ASP A 103 -4.923 6.669 -11.484 1.00 0.00 C ATOM 1492 O ASP A 103 -4.367 7.709 -11.772 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.449 5.397 -13.561 1.00 0.00 C ATOM 1494 CG ASP A 103 -4.767 6.342 -14.558 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -3.616 6.098 -14.883 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -5.408 7.290 -14.978 1.00 0.00 O ATOM 0 H ASP A 103 -6.072 3.936 -11.593 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.594 5.281 -12.470 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.506 4.392 -13.978 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.472 5.724 -13.376 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.779 6.593 -10.485 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.113 7.786 -9.658 1.00 0.00 C ATOM 1503 C ARG A 104 -5.893 7.378 -8.211 1.00 0.00 C ATOM 1504 O ARG A 104 -6.593 6.528 -7.707 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.601 8.206 -9.859 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.161 7.754 -11.242 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.887 8.913 -11.925 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.857 9.815 -12.511 1.00 0.00 N ATOM 1509 CZ ARG A 104 -8.203 10.800 -13.295 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -9.460 10.981 -13.602 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -7.284 11.595 -13.784 1.00 0.00 N ATOM 0 H ARG A 104 -6.263 5.738 -10.210 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.492 8.635 -9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.209 7.774 -9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.686 9.289 -9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.346 7.403 -11.875 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.845 6.916 -11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.555 8.540 -12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.504 9.453 -11.207 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.871 9.662 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.172 10.353 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.730 11.751 -14.215 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.302 11.443 -13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.550 12.366 -14.397 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.949 7.973 -7.530 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.702 7.611 -6.101 1.00 0.00 C ATOM 1527 C GLN A 105 -4.985 8.848 -5.247 1.00 0.00 C ATOM 1528 O GLN A 105 -5.106 8.778 -4.037 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.234 7.204 -5.941 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.341 8.237 -6.639 1.00 0.00 C ATOM 1531 CD GLN A 105 -0.872 7.884 -6.404 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.084 8.730 -6.028 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -0.467 6.661 -6.605 1.00 0.00 N ATOM 0 H GLN A 105 -4.335 8.697 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.342 6.785 -5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.976 7.139 -4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.070 6.216 -6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.555 8.255 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.552 9.235 -6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.127 5.950 -6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.510 6.415 -6.447 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.076 9.981 -5.892 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.344 11.258 -5.162 1.00 0.00 C ATOM 1544 C TRP A 106 -6.497 11.055 -4.174 1.00 0.00 C ATOM 1545 O TRP A 106 -6.751 11.961 -3.398 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.725 12.344 -6.173 1.00 0.00 C ATOM 1547 CG TRP A 106 -5.857 13.660 -5.479 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.021 14.196 -5.040 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -4.812 14.617 -5.139 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -6.752 15.418 -4.448 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -5.407 15.719 -4.484 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -3.419 14.633 -5.331 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -4.648 16.801 -4.034 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -2.651 15.720 -4.884 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -3.265 16.801 -4.236 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.104 9.998 -4.209 1.00 0.00 O ATOM 0 H TRP A 106 -4.975 10.078 -6.902 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.451 11.560 -4.615 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -4.967 12.409 -6.953 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.664 12.085 -6.662 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.997 13.745 -5.136 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.463 16.022 -4.035 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -2.936 13.803 -5.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.125 17.631 -3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -1.582 15.723 -5.040 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -2.669 17.634 -3.893 1.00 0.00 H new