USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 103 ASN : amide:sc= 0 X(o=-0.083,f=-0.083) USER MOD Set 1.3: A 106 ASN : amide:sc= -0.0833 X(o=-0.083,f=-0.47) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -0.736 K(o=-0.66,f=-0.16) USER MOD Set 2.2: A 89 THR OG1 : rot -56:sc= 0.0717 USER MOD Set 3.1: A 74 ASN : amide:sc= -6.5! C(o=-6.9!,f=-4.4!) USER MOD Set 3.2: A 77 ASN : amide:sc= -0.401 K(o=-6.9,f=-4.4) USER MOD Set 4.1: A 60 SER OG : rot -114:sc= 0.503 USER MOD Set 4.2: A 69 THR OG1 : rot 39:sc= 0.789 USER MOD Set 5.1: A 51 THR OG1 : rot 168:sc= 0.108 USER MOD Set 5.2: A 53 TYR OH : rot 30:sc= 0.119 USER MOD Set 6.1: A 24 SER OG : rot -46:sc= 1.26 USER MOD Set 6.2: A 27 ASN : amide:sc= -4.48! C(o=-3.2!,f=-9.1!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 157:sc= -0.141 (180deg=-0.7) USER MOD Single : A 12 MET CE :methyl -120:sc= -10.4! (180deg=-13.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.64) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -94:sc= -1.83! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.314 K(o=-0.31,f=-4.8!) USER MOD Single : A 40 THR OG1 : rot 117:sc= 0.136 USER MOD Single : A 41 GLN : amide:sc= 0.0745 X(o=0.074,f=-0.00062) USER MOD Single : A 43 THR OG1 : rot -16:sc= 0.297! USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 ASN : amide:sc= -0.0149 X(o=-0.015,f=0.31) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 42:sc= 0.607 USER MOD Single : A 57 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.6) USER MOD Single : A 59 ASN : amide:sc= -5.62! C(o=-5.6!,f=-11!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot -123:sc= 0.568 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -40:sc= 0.239 USER MOD Single : A 91 SER OG : rot 180:sc= -1.98! USER MOD Single : A 93 ASN : amide:sc= -4.57! C(o=-4.6!,f=-2.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0153) USER MOD Single : A 100 SER OG : rot -44:sc= 0.114 USER MOD Single : A 105 MET CE :methyl -149:sc= -1.78 (180deg=-4.95!) USER MOD Single : A 113 ASN : amide:sc= -0.906 K(o=-0.91,f=-1.5!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -65:sc= 1.06 USER MOD Single : A 121 GLN : amide:sc=-0.00805 X(o=-0.008,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.325 -10.456 1.648 1.00 0.00 N ATOM 2 CA LYS A 1 -6.035 -11.055 1.216 1.00 0.00 C ATOM 3 C LYS A 1 -4.992 -9.977 0.939 1.00 0.00 C ATOM 4 O LYS A 1 -5.117 -9.211 -0.016 1.00 0.00 O ATOM 5 CB LYS A 1 -6.282 -11.887 -0.044 1.00 0.00 C ATOM 6 CG LYS A 1 -5.145 -12.838 -0.379 1.00 0.00 C ATOM 7 CD LYS A 1 -4.676 -12.663 -1.814 1.00 0.00 C ATOM 8 CE LYS A 1 -4.026 -13.930 -2.345 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.985 -15.069 -2.392 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.015 -11.212 1.829 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.178 -9.905 2.518 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.685 -9.831 0.899 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.649 -11.688 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.199 -12.462 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.443 -11.215 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.311 -12.664 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.472 -13.866 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.524 -12.395 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.966 -11.838 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.633 -13.745 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.178 -14.195 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.658 -15.769 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.042 -15.514 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.925 -14.720 -2.667 1.00 0.00 H new ATOM 25 N VAL A 2 -3.967 -9.923 1.782 1.00 0.00 N ATOM 26 CA VAL A 2 -2.899 -8.940 1.635 1.00 0.00 C ATOM 27 C VAL A 2 -1.697 -9.540 0.909 1.00 0.00 C ATOM 28 O VAL A 2 -1.384 -10.718 1.083 1.00 0.00 O ATOM 29 CB VAL A 2 -2.446 -8.409 3.015 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.178 -7.581 2.898 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.547 -7.589 3.665 1.00 0.00 C ATOM 0 H VAL A 2 -3.853 -10.551 2.578 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.296 -8.115 1.044 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.233 -9.272 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.885 -7.222 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.379 -8.196 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.358 -6.730 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.206 -7.226 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.794 -6.741 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.432 -8.211 3.801 1.00 0.00 H new ATOM 41 N PHE A 3 -1.007 -8.718 0.118 1.00 0.00 N ATOM 42 CA PHE A 3 0.178 -9.163 -0.602 1.00 0.00 C ATOM 43 C PHE A 3 1.354 -9.304 0.353 1.00 0.00 C ATOM 44 O PHE A 3 1.338 -8.769 1.461 1.00 0.00 O ATOM 45 CB PHE A 3 0.563 -8.148 -1.680 1.00 0.00 C ATOM 46 CG PHE A 3 -0.256 -8.217 -2.931 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.281 -9.366 -3.702 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.990 -7.120 -3.345 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.027 -9.417 -4.864 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.734 -7.164 -4.503 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.754 -8.314 -5.265 1.00 0.00 C ATOM 0 H PHE A 3 -1.252 -7.740 -0.038 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.053 -10.125 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.477 -7.145 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.611 -8.296 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.288 -10.231 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.979 -6.217 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.041 -10.319 -5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.301 -6.299 -4.814 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.337 -8.351 -6.173 1.00 0.00 H new ATOM 61 N GLY A 4 2.382 -10.004 -0.097 1.00 0.00 N ATOM 62 CA GLY A 4 3.570 -10.182 0.712 1.00 0.00 C ATOM 63 C GLY A 4 4.555 -9.051 0.502 1.00 0.00 C ATOM 64 O GLY A 4 4.177 -7.977 0.031 1.00 0.00 O ATOM 0 H GLY A 4 2.416 -10.454 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.291 -10.233 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.044 -11.131 0.461 1.00 0.00 H new ATOM 68 N ARG A 5 5.816 -9.282 0.841 1.00 0.00 N ATOM 69 CA ARG A 5 6.843 -8.260 0.674 1.00 0.00 C ATOM 70 C ARG A 5 7.495 -8.369 -0.694 1.00 0.00 C ATOM 71 O ARG A 5 7.449 -7.427 -1.486 1.00 0.00 O ATOM 72 CB ARG A 5 7.901 -8.374 1.774 1.00 0.00 C ATOM 73 CG ARG A 5 8.307 -7.035 2.366 1.00 0.00 C ATOM 74 CD ARG A 5 8.793 -7.185 3.798 1.00 0.00 C ATOM 75 NE ARG A 5 10.029 -7.958 3.878 1.00 0.00 N ATOM 76 CZ ARG A 5 10.147 -9.092 4.563 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.107 -9.583 5.225 1.00 0.00 N ATOM 78 NH2 ARG A 5 11.306 -9.737 4.587 1.00 0.00 N ATOM 0 H ARG A 5 6.152 -10.162 1.231 1.00 0.00 H new ATOM 0 HA ARG A 5 6.363 -7.284 0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.519 -9.013 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.785 -8.865 1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.095 -6.591 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.459 -6.351 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.954 -6.198 4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.021 -7.673 4.394 1.00 0.00 H new ATOM 0 HE ARG A 5 10.848 -7.609 3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.214 -9.091 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.201 -10.453 5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.108 -9.363 4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.395 -10.607 5.113 1.00 0.00 H new ATOM 92 N CYS A 6 8.099 -9.515 -0.974 1.00 0.00 N ATOM 93 CA CYS A 6 8.748 -9.718 -2.256 1.00 0.00 C ATOM 94 C CYS A 6 7.737 -10.104 -3.319 1.00 0.00 C ATOM 95 O CYS A 6 7.866 -9.706 -4.469 1.00 0.00 O ATOM 96 CB CYS A 6 9.832 -10.780 -2.163 1.00 0.00 C ATOM 97 SG CYS A 6 10.806 -10.718 -0.625 1.00 0.00 S ATOM 0 H CYS A 6 8.152 -10.309 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 6 9.213 -8.774 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.370 -11.764 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.507 -10.670 -3.012 1.00 0.00 H new ATOM 102 N GLU A 7 6.724 -10.873 -2.932 1.00 0.00 N ATOM 103 CA GLU A 7 5.694 -11.282 -3.878 1.00 0.00 C ATOM 104 C GLU A 7 5.267 -10.075 -4.701 1.00 0.00 C ATOM 105 O GLU A 7 5.295 -10.097 -5.935 1.00 0.00 O ATOM 106 CB GLU A 7 4.490 -11.876 -3.143 1.00 0.00 C ATOM 107 CG GLU A 7 3.978 -13.167 -3.760 1.00 0.00 C ATOM 108 CD GLU A 7 2.521 -13.079 -4.172 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.652 -13.051 -3.275 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.250 -13.038 -5.390 1.00 0.00 O ATOM 0 H GLU A 7 6.595 -11.221 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 7 6.098 -12.050 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.764 -12.063 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.683 -11.143 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.584 -13.414 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.101 -13.981 -3.045 1.00 0.00 H new ATOM 117 N LEU A 8 4.906 -9.007 -4.000 1.00 0.00 N ATOM 118 CA LEU A 8 4.505 -7.778 -4.653 1.00 0.00 C ATOM 119 C LEU A 8 5.694 -7.122 -5.343 1.00 0.00 C ATOM 120 O LEU A 8 5.541 -6.563 -6.425 1.00 0.00 O ATOM 121 CB LEU A 8 3.886 -6.797 -3.656 1.00 0.00 C ATOM 122 CG LEU A 8 3.715 -5.369 -4.188 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.324 -5.175 -4.770 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.985 -4.350 -3.093 1.00 0.00 C ATOM 0 H LEU A 8 4.884 -8.972 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 8 3.754 -8.035 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.911 -7.176 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.509 -6.766 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 8 4.443 -5.214 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.224 -4.155 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.172 -5.877 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.578 -5.354 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.858 -3.344 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.286 -4.505 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.005 -4.469 -2.728 1.00 0.00 H new ATOM 136 N ALA A 9 6.885 -7.192 -4.727 1.00 0.00 N ATOM 137 CA ALA A 9 8.071 -6.584 -5.327 1.00 0.00 C ATOM 138 C ALA A 9 8.375 -7.204 -6.681 1.00 0.00 C ATOM 139 O ALA A 9 8.470 -6.498 -7.685 1.00 0.00 O ATOM 140 CB ALA A 9 9.269 -6.699 -4.407 1.00 0.00 C ATOM 0 H ALA A 9 7.046 -7.655 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 9 7.860 -5.525 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.136 -6.238 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.056 -6.191 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.478 -7.751 -4.212 1.00 0.00 H new ATOM 146 N ALA A 10 8.512 -8.525 -6.713 1.00 0.00 N ATOM 147 CA ALA A 10 8.779 -9.225 -7.956 1.00 0.00 C ATOM 148 C ALA A 10 7.773 -8.783 -9.003 1.00 0.00 C ATOM 149 O ALA A 10 8.106 -8.625 -10.177 1.00 0.00 O ATOM 150 CB ALA A 10 8.714 -10.731 -7.749 1.00 0.00 C ATOM 0 H ALA A 10 8.442 -9.128 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 10 9.785 -8.981 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.917 -11.237 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.458 -11.029 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.721 -11.007 -7.396 1.00 0.00 H new ATOM 156 N ALA A 11 6.537 -8.563 -8.558 1.00 0.00 N ATOM 157 CA ALA A 11 5.484 -8.113 -9.452 1.00 0.00 C ATOM 158 C ALA A 11 5.777 -6.717 -9.958 1.00 0.00 C ATOM 159 O ALA A 11 5.533 -6.393 -11.119 1.00 0.00 O ATOM 160 CB ALA A 11 4.130 -8.171 -8.763 1.00 0.00 C ATOM 0 H ALA A 11 6.246 -8.690 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 11 5.451 -8.784 -10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.357 -7.830 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.919 -9.197 -8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.142 -7.528 -7.883 1.00 0.00 H new ATOM 166 N MET A 12 6.308 -5.905 -9.070 1.00 0.00 N ATOM 167 CA MET A 12 6.663 -4.524 -9.396 1.00 0.00 C ATOM 168 C MET A 12 7.610 -4.491 -10.585 1.00 0.00 C ATOM 169 O MET A 12 7.360 -3.807 -11.577 1.00 0.00 O ATOM 170 CB MET A 12 7.337 -3.831 -8.211 1.00 0.00 C ATOM 171 CG MET A 12 6.650 -4.070 -6.880 1.00 0.00 C ATOM 172 SD MET A 12 4.884 -3.720 -6.938 1.00 0.00 S ATOM 173 CE MET A 12 4.911 -1.967 -7.288 1.00 0.00 C ATOM 0 H MET A 12 6.508 -6.172 -8.106 1.00 0.00 H new ATOM 0 HA MET A 12 5.740 -3.997 -9.638 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.369 -4.175 -8.142 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.371 -2.759 -8.403 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.801 -5.106 -6.578 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.115 -3.445 -6.118 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.409 -1.428 -6.485 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.944 -1.627 -7.363 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.397 -1.776 -8.230 1.00 0.00 H new ATOM 183 N LYS A 13 8.702 -5.241 -10.473 1.00 0.00 N ATOM 184 CA LYS A 13 9.697 -5.309 -11.534 1.00 0.00 C ATOM 185 C LYS A 13 9.039 -5.705 -12.845 1.00 0.00 C ATOM 186 O LYS A 13 9.313 -5.121 -13.894 1.00 0.00 O ATOM 187 CB LYS A 13 10.795 -6.311 -11.174 1.00 0.00 C ATOM 188 CG LYS A 13 12.168 -5.679 -11.014 1.00 0.00 C ATOM 189 CD LYS A 13 13.263 -6.731 -10.967 1.00 0.00 C ATOM 190 CE LYS A 13 14.013 -6.815 -12.287 1.00 0.00 C ATOM 191 NZ LYS A 13 15.469 -6.552 -12.117 1.00 0.00 N ATOM 0 H LYS A 13 8.919 -5.811 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 13 10.149 -4.324 -11.649 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.526 -6.814 -10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.845 -7.076 -11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.354 -4.996 -11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.192 -5.086 -10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.962 -6.494 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.826 -7.702 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.871 -7.804 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.594 -6.094 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.944 -6.619 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.606 -5.598 -11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.875 -7.255 -11.467 1.00 0.00 H new ATOM 205 N ARG A 14 8.165 -6.700 -12.773 1.00 0.00 N ATOM 206 CA ARG A 14 7.458 -7.179 -13.951 1.00 0.00 C ATOM 207 C ARG A 14 6.582 -6.073 -14.521 1.00 0.00 C ATOM 208 O ARG A 14 6.497 -5.899 -15.736 1.00 0.00 O ATOM 209 CB ARG A 14 6.603 -8.399 -13.602 1.00 0.00 C ATOM 210 CG ARG A 14 6.826 -9.582 -14.530 1.00 0.00 C ATOM 211 CD ARG A 14 5.526 -10.037 -15.174 1.00 0.00 C ATOM 212 NE ARG A 14 4.905 -8.975 -15.960 1.00 0.00 N ATOM 213 CZ ARG A 14 4.410 -9.154 -17.182 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.464 -10.350 -17.754 1.00 0.00 N ATOM 215 NH2 ARG A 14 3.860 -8.138 -17.832 1.00 0.00 N ATOM 0 H ARG A 14 7.929 -7.191 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 14 8.192 -7.472 -14.702 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.821 -8.704 -12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.551 -8.116 -13.633 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.541 -9.308 -15.306 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.264 -10.408 -13.970 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.720 -10.897 -15.815 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.834 -10.367 -14.400 1.00 0.00 H new ATOM 0 HE ARG A 14 4.847 -8.043 -15.549 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.886 -11.135 -17.257 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.084 -10.485 -18.691 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.816 -7.217 -17.395 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.481 -8.277 -18.769 1.00 0.00 H new ATOM 229 N HIS A 15 5.908 -5.348 -13.634 1.00 0.00 N ATOM 230 CA HIS A 15 5.009 -4.281 -14.039 1.00 0.00 C ATOM 231 C HIS A 15 5.770 -3.030 -14.457 1.00 0.00 C ATOM 232 O HIS A 15 5.166 -2.058 -14.910 1.00 0.00 O ATOM 233 CB HIS A 15 4.064 -3.942 -12.887 1.00 0.00 C ATOM 234 CG HIS A 15 2.870 -4.842 -12.799 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.059 -4.905 -11.685 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.347 -5.718 -13.692 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.092 -5.779 -11.895 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.243 -6.285 -13.105 1.00 0.00 N ATOM 0 H HIS A 15 5.970 -5.484 -12.625 1.00 0.00 H new ATOM 0 HA HIS A 15 4.441 -4.632 -14.900 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.617 -3.994 -11.949 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.724 -2.913 -13.000 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.187 -4.361 -10.832 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.728 -5.930 -14.680 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.310 -6.036 -11.196 1.00 0.00 H new ATOM 247 N GLY A 16 7.096 -3.062 -14.352 1.00 0.00 N ATOM 248 CA GLY A 16 7.893 -1.931 -14.776 1.00 0.00 C ATOM 249 C GLY A 16 8.012 -0.807 -13.762 1.00 0.00 C ATOM 250 O GLY A 16 8.310 0.322 -14.148 1.00 0.00 O ATOM 0 H GLY A 16 7.628 -3.849 -13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.894 -2.284 -15.022 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.463 -1.528 -15.693 1.00 0.00 H new ATOM 254 N LEU A 17 7.800 -1.076 -12.471 1.00 0.00 N ATOM 255 CA LEU A 17 7.924 -0.011 -11.483 1.00 0.00 C ATOM 256 C LEU A 17 9.341 0.035 -10.953 1.00 0.00 C ATOM 257 O LEU A 17 9.666 0.809 -10.053 1.00 0.00 O ATOM 258 CB LEU A 17 6.935 -0.183 -10.328 1.00 0.00 C ATOM 259 CG LEU A 17 5.556 -0.750 -10.684 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.494 -0.137 -9.788 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.197 -0.506 -12.145 1.00 0.00 C ATOM 0 H LEU A 17 7.550 -1.992 -12.098 1.00 0.00 H new ATOM 0 HA LEU A 17 7.687 0.931 -11.978 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.390 -0.837 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.792 0.788 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 17 5.597 -1.828 -10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.518 -0.546 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.718 -0.369 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.483 0.944 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.212 -0.924 -12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.185 0.566 -12.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.937 -0.985 -12.786 1.00 0.00 H new ATOM 273 N ASP A 18 10.178 -0.801 -11.538 1.00 0.00 N ATOM 274 CA ASP A 18 11.583 -0.881 -11.158 1.00 0.00 C ATOM 275 C ASP A 18 12.351 0.322 -11.697 1.00 0.00 C ATOM 276 O ASP A 18 12.968 0.256 -12.762 1.00 0.00 O ATOM 277 CB ASP A 18 12.201 -2.179 -11.683 1.00 0.00 C ATOM 278 CG ASP A 18 13.692 -2.256 -11.425 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.097 -2.177 -10.245 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.457 -2.395 -12.403 1.00 0.00 O ATOM 0 H ASP A 18 9.910 -1.441 -12.285 1.00 0.00 H new ATOM 0 HA ASP A 18 11.647 -0.876 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.709 -3.029 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.016 -2.259 -12.754 1.00 0.00 H new ATOM 285 N ASN A 19 12.301 1.419 -10.950 1.00 0.00 N ATOM 286 CA ASN A 19 12.980 2.656 -11.328 1.00 0.00 C ATOM 287 C ASN A 19 12.356 3.259 -12.567 1.00 0.00 C ATOM 288 O ASN A 19 13.044 3.833 -13.413 1.00 0.00 O ATOM 289 CB ASN A 19 14.477 2.416 -11.543 1.00 0.00 C ATOM 290 CG ASN A 19 15.337 3.377 -10.747 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.857 3.031 -9.686 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.491 4.594 -11.257 1.00 0.00 N ATOM 0 H ASN A 19 11.791 1.478 -10.068 1.00 0.00 H new ATOM 0 HA ASN A 19 12.863 3.364 -10.508 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.722 1.393 -11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.710 2.517 -12.603 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.059 5.285 -10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.042 4.838 -12.140 1.00 0.00 H new ATOM 299 N TYR A 20 11.041 3.150 -12.652 1.00 0.00 N ATOM 300 CA TYR A 20 10.315 3.713 -13.773 1.00 0.00 C ATOM 301 C TYR A 20 10.455 5.219 -13.700 1.00 0.00 C ATOM 302 O TYR A 20 10.904 5.728 -12.675 1.00 0.00 O ATOM 303 CB TYR A 20 8.839 3.310 -13.712 1.00 0.00 C ATOM 304 CG TYR A 20 8.038 3.732 -14.924 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.215 3.108 -16.152 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.103 4.757 -14.838 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.483 3.492 -17.260 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.367 5.147 -15.941 1.00 0.00 C ATOM 309 CZ TYR A 20 6.562 4.512 -17.150 1.00 0.00 C ATOM 310 OH TYR A 20 5.832 4.897 -18.250 1.00 0.00 O ATOM 0 H TYR A 20 10.458 2.679 -11.960 1.00 0.00 H new ATOM 0 HA TYR A 20 10.720 3.339 -14.713 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.772 2.227 -13.603 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.389 3.748 -12.821 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.936 2.309 -16.243 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.949 5.257 -13.893 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.632 2.995 -18.207 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.643 5.944 -15.857 1.00 0.00 H new ATOM 0 HH TYR A 20 5.227 5.627 -18.002 1.00 0.00 H new ATOM 320 N ARG A 21 10.113 5.923 -14.781 1.00 0.00 N ATOM 321 CA ARG A 21 10.225 7.380 -14.821 1.00 0.00 C ATOM 322 C ARG A 21 10.158 7.960 -13.411 1.00 0.00 C ATOM 323 O ARG A 21 10.858 8.919 -13.083 1.00 0.00 O ATOM 324 CB ARG A 21 9.113 7.976 -15.686 1.00 0.00 C ATOM 325 CG ARG A 21 9.348 7.812 -17.178 1.00 0.00 C ATOM 326 CD ARG A 21 8.885 9.036 -17.953 1.00 0.00 C ATOM 327 NE ARG A 21 9.582 10.248 -17.531 1.00 0.00 N ATOM 328 CZ ARG A 21 10.755 10.633 -18.023 1.00 0.00 C ATOM 329 NH1 ARG A 21 11.362 9.904 -18.951 1.00 0.00 N ATOM 330 NH2 ARG A 21 11.324 11.749 -17.587 1.00 0.00 N ATOM 0 H ARG A 21 9.756 5.506 -15.641 1.00 0.00 H new ATOM 0 HA ARG A 21 11.189 7.638 -15.260 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.167 7.504 -15.422 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.015 9.037 -15.457 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.409 7.642 -17.364 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.816 6.931 -17.536 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.051 8.875 -19.018 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.812 9.168 -17.814 1.00 0.00 H new ATOM 0 HE ARG A 21 9.144 10.832 -16.819 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.928 9.045 -19.289 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.262 10.203 -19.326 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.861 12.312 -16.874 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.224 12.044 -17.965 1.00 0.00 H new ATOM 344 N GLY A 22 9.316 7.348 -12.584 1.00 0.00 N ATOM 345 CA GLY A 22 9.163 7.781 -11.213 1.00 0.00 C ATOM 346 C GLY A 22 10.261 7.249 -10.314 1.00 0.00 C ATOM 347 O GLY A 22 11.327 7.858 -10.204 1.00 0.00 O ATOM 0 H GLY A 22 8.733 6.553 -12.845 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.163 8.870 -11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.196 7.450 -10.836 1.00 0.00 H new ATOM 351 N TYR A 23 9.998 6.129 -9.639 1.00 0.00 N ATOM 352 CA TYR A 23 10.982 5.563 -8.719 1.00 0.00 C ATOM 353 C TYR A 23 11.166 4.055 -8.860 1.00 0.00 C ATOM 354 O TYR A 23 10.482 3.392 -9.640 1.00 0.00 O ATOM 355 CB TYR A 23 10.593 5.895 -7.282 1.00 0.00 C ATOM 356 CG TYR A 23 10.708 7.365 -6.944 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.737 8.268 -7.362 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.781 7.849 -6.207 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.834 9.611 -7.055 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.883 9.191 -5.896 1.00 0.00 C ATOM 361 CZ TYR A 23 10.908 10.068 -6.322 1.00 0.00 C ATOM 362 OH TYR A 23 11.008 11.405 -6.015 1.00 0.00 O ATOM 0 H TYR A 23 9.126 5.604 -9.710 1.00 0.00 H new ATOM 0 HA TYR A 23 11.938 6.017 -8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.567 5.571 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.226 5.325 -6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.894 7.914 -7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.547 7.166 -5.872 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.072 10.300 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.723 9.552 -5.321 1.00 0.00 H new ATOM 0 HH TYR A 23 11.823 11.561 -5.493 1.00 0.00 H new ATOM 372 N SER A 24 12.118 3.536 -8.078 1.00 0.00 N ATOM 373 CA SER A 24 12.446 2.119 -8.068 1.00 0.00 C ATOM 374 C SER A 24 11.324 1.302 -7.454 1.00 0.00 C ATOM 375 O SER A 24 10.536 1.814 -6.659 1.00 0.00 O ATOM 376 CB SER A 24 13.746 1.880 -7.297 1.00 0.00 C ATOM 377 OG SER A 24 13.564 2.102 -5.910 1.00 0.00 O ATOM 0 H SER A 24 12.680 4.094 -7.435 1.00 0.00 H new ATOM 0 HA SER A 24 12.578 1.798 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.089 0.859 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.524 2.543 -7.676 1.00 0.00 H new ATOM 0 HG SER A 24 13.076 2.941 -5.774 1.00 0.00 H new ATOM 383 N LEU A 25 11.260 0.034 -7.835 1.00 0.00 N ATOM 384 CA LEU A 25 10.234 -0.871 -7.337 1.00 0.00 C ATOM 385 C LEU A 25 10.085 -0.761 -5.815 1.00 0.00 C ATOM 386 O LEU A 25 8.971 -0.655 -5.301 1.00 0.00 O ATOM 387 CB LEU A 25 10.539 -2.306 -7.763 1.00 0.00 C ATOM 388 CG LEU A 25 11.402 -3.106 -6.801 1.00 0.00 C ATOM 389 CD1 LEU A 25 10.533 -3.780 -5.752 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.220 -4.128 -7.568 1.00 0.00 C ATOM 0 H LEU A 25 11.912 -0.394 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 25 9.280 -0.580 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.595 -2.834 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.035 -2.281 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 25 12.088 -2.431 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.163 -4.350 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.984 -3.022 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.828 -4.452 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.836 -4.697 -6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.551 -4.805 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.862 -3.616 -8.285 1.00 0.00 H new ATOM 402 N GLY A 26 11.207 -0.811 -5.093 1.00 0.00 N ATOM 403 CA GLY A 26 11.166 -0.734 -3.642 1.00 0.00 C ATOM 404 C GLY A 26 10.343 0.430 -3.122 1.00 0.00 C ATOM 405 O GLY A 26 9.625 0.287 -2.133 1.00 0.00 O ATOM 0 H GLY A 26 12.142 -0.903 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.756 -1.664 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.184 -0.648 -3.261 1.00 0.00 H new ATOM 409 N ASN A 27 10.439 1.579 -3.785 1.00 0.00 N ATOM 410 CA ASN A 27 9.683 2.757 -3.371 1.00 0.00 C ATOM 411 C ASN A 27 8.189 2.459 -3.406 1.00 0.00 C ATOM 412 O ASN A 27 7.402 3.049 -2.666 1.00 0.00 O ATOM 413 CB ASN A 27 10.009 3.943 -4.277 1.00 0.00 C ATOM 414 CG ASN A 27 11.466 4.355 -4.181 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.197 4.336 -5.171 1.00 0.00 O ATOM 416 ND2 ASN A 27 11.896 4.729 -2.982 1.00 0.00 N ATOM 0 H ASN A 27 11.028 1.719 -4.606 1.00 0.00 H new ATOM 0 HA ASN A 27 9.966 3.014 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.774 3.685 -5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.376 4.788 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.867 5.016 -2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.256 4.730 -2.188 1.00 0.00 H new ATOM 423 N TRP A 28 7.822 1.518 -4.266 1.00 0.00 N ATOM 424 CA TRP A 28 6.438 1.093 -4.416 1.00 0.00 C ATOM 425 C TRP A 28 6.034 0.187 -3.271 1.00 0.00 C ATOM 426 O TRP A 28 4.892 0.221 -2.812 1.00 0.00 O ATOM 427 CB TRP A 28 6.268 0.374 -5.738 1.00 0.00 C ATOM 428 CG TRP A 28 6.629 1.243 -6.887 1.00 0.00 C ATOM 429 CD1 TRP A 28 7.854 1.365 -7.459 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.761 2.134 -7.582 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.807 2.280 -8.480 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.525 2.764 -8.580 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.409 2.451 -7.458 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.978 3.700 -9.453 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.860 3.378 -8.320 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.643 3.995 -9.311 1.00 0.00 C ATOM 0 H TRP A 28 8.475 1.029 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 28 5.794 1.972 -4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.891 -0.520 -5.748 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.234 0.044 -5.842 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.736 0.821 -7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.594 2.556 -9.068 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.802 1.979 -6.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.580 4.176 -10.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.814 3.633 -8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.187 4.715 -9.974 1.00 0.00 H new ATOM 447 N VAL A 29 6.978 -0.622 -2.805 1.00 0.00 N ATOM 448 CA VAL A 29 6.723 -1.534 -1.705 1.00 0.00 C ATOM 449 C VAL A 29 6.547 -0.775 -0.400 1.00 0.00 C ATOM 450 O VAL A 29 5.578 -0.984 0.324 1.00 0.00 O ATOM 451 CB VAL A 29 7.877 -2.546 -1.558 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.712 -3.393 -0.306 1.00 0.00 C ATOM 453 CG2 VAL A 29 7.976 -3.418 -2.801 1.00 0.00 C ATOM 0 H VAL A 29 7.928 -0.662 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 29 5.801 -2.071 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 29 8.808 -1.989 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.541 -4.097 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.703 -2.747 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.773 -3.944 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.795 -4.128 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.042 -3.962 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.163 -2.790 -3.672 1.00 0.00 H new ATOM 463 N CYS A 30 7.496 0.102 -0.106 1.00 0.00 N ATOM 464 CA CYS A 30 7.452 0.894 1.112 1.00 0.00 C ATOM 465 C CYS A 30 6.189 1.752 1.161 1.00 0.00 C ATOM 466 O CYS A 30 5.494 1.792 2.180 1.00 0.00 O ATOM 467 CB CYS A 30 8.693 1.778 1.195 1.00 0.00 C ATOM 468 SG CYS A 30 8.824 2.741 2.732 1.00 0.00 S ATOM 0 H CYS A 30 8.308 0.282 -0.697 1.00 0.00 H new ATOM 0 HA CYS A 30 7.433 0.217 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.579 1.151 1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.693 2.465 0.349 1.00 0.00 H new ATOM 473 N ALA A 31 5.895 2.435 0.056 1.00 0.00 N ATOM 474 CA ALA A 31 4.718 3.289 -0.020 1.00 0.00 C ATOM 475 C ALA A 31 3.442 2.482 0.175 1.00 0.00 C ATOM 476 O ALA A 31 2.547 2.891 0.912 1.00 0.00 O ATOM 477 CB ALA A 31 4.684 4.019 -1.355 1.00 0.00 C ATOM 0 H ALA A 31 6.456 2.412 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 31 4.778 4.023 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.799 4.654 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.578 4.634 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.650 3.292 -2.166 1.00 0.00 H new ATOM 483 N ALA A 32 3.368 1.335 -0.491 1.00 0.00 N ATOM 484 CA ALA A 32 2.199 0.469 -0.393 1.00 0.00 C ATOM 485 C ALA A 32 2.074 -0.147 0.995 1.00 0.00 C ATOM 486 O ALA A 32 0.976 -0.241 1.543 1.00 0.00 O ATOM 487 CB ALA A 32 2.263 -0.621 -1.451 1.00 0.00 C ATOM 0 H ALA A 32 4.103 0.983 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 32 1.314 1.082 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.385 -1.261 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.288 -0.166 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.163 -1.219 -1.304 1.00 0.00 H new ATOM 493 N LYS A 33 3.200 -0.582 1.555 1.00 0.00 N ATOM 494 CA LYS A 33 3.219 -1.208 2.873 1.00 0.00 C ATOM 495 C LYS A 33 2.496 -0.364 3.911 1.00 0.00 C ATOM 496 O LYS A 33 1.577 -0.835 4.572 1.00 0.00 O ATOM 497 CB LYS A 33 4.662 -1.443 3.323 1.00 0.00 C ATOM 498 CG LYS A 33 4.780 -2.341 4.543 1.00 0.00 C ATOM 499 CD LYS A 33 5.962 -1.946 5.414 1.00 0.00 C ATOM 500 CE LYS A 33 6.104 -2.870 6.612 1.00 0.00 C ATOM 501 NZ LYS A 33 5.946 -2.139 7.900 1.00 0.00 N ATOM 0 H LYS A 33 4.116 -0.511 1.113 1.00 0.00 H new ATOM 0 HA LYS A 33 2.697 -2.161 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.223 -1.886 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.126 -0.482 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.862 -2.285 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.892 -3.377 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.877 -1.973 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.835 -0.919 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.357 -3.662 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.082 -3.351 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.050 -2.805 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.674 -1.400 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.003 -1.701 7.937 1.00 0.00 H new ATOM 515 N PHE A 34 2.928 0.876 4.075 1.00 0.00 N ATOM 516 CA PHE A 34 2.314 1.748 5.065 1.00 0.00 C ATOM 517 C PHE A 34 0.959 2.264 4.617 1.00 0.00 C ATOM 518 O PHE A 34 0.120 2.620 5.444 1.00 0.00 O ATOM 519 CB PHE A 34 3.238 2.898 5.408 1.00 0.00 C ATOM 520 CG PHE A 34 4.148 2.614 6.569 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.688 2.732 7.870 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.462 2.227 6.357 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.523 2.468 8.940 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.301 1.963 7.423 1.00 0.00 C ATOM 525 CZ PHE A 34 5.831 2.083 8.717 1.00 0.00 C ATOM 0 H PHE A 34 3.690 1.298 3.544 1.00 0.00 H new ATOM 0 HA PHE A 34 2.148 1.150 5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.843 3.140 4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.638 3.780 5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.667 3.033 8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.834 2.131 5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.153 2.563 9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.323 1.663 7.245 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.484 1.876 9.552 1.00 0.00 H new ATOM 535 N GLU A 35 0.744 2.311 3.313 1.00 0.00 N ATOM 536 CA GLU A 35 -0.512 2.794 2.767 1.00 0.00 C ATOM 537 C GLU A 35 -1.676 1.869 3.108 1.00 0.00 C ATOM 538 O GLU A 35 -2.704 2.311 3.621 1.00 0.00 O ATOM 539 CB GLU A 35 -0.393 2.911 1.248 1.00 0.00 C ATOM 540 CG GLU A 35 -0.491 4.337 0.736 1.00 0.00 C ATOM 541 CD GLU A 35 0.588 4.666 -0.275 1.00 0.00 C ATOM 542 OE1 GLU A 35 0.407 4.336 -1.466 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.618 5.249 0.125 1.00 0.00 O ATOM 0 H GLU A 35 1.425 2.020 2.612 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.715 3.768 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.560 2.486 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.177 2.313 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.470 4.490 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.419 5.027 1.577 1.00 0.00 H new ATOM 550 N SER A 36 -1.527 0.596 2.764 1.00 0.00 N ATOM 551 CA SER A 36 -2.594 -0.380 2.977 1.00 0.00 C ATOM 552 C SER A 36 -2.096 -1.671 3.618 1.00 0.00 C ATOM 553 O SER A 36 -2.852 -2.635 3.731 1.00 0.00 O ATOM 554 CB SER A 36 -3.240 -0.711 1.629 1.00 0.00 C ATOM 555 OG SER A 36 -2.262 -1.116 0.690 1.00 0.00 O ATOM 0 H SER A 36 -0.683 0.214 2.338 1.00 0.00 H new ATOM 0 HA SER A 36 -3.313 0.067 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.977 -1.504 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.773 0.162 1.252 1.00 0.00 H new ATOM 0 HG SER A 36 -1.981 -0.343 0.157 1.00 0.00 H new ATOM 561 N ASN A 37 -0.831 -1.703 4.014 1.00 0.00 N ATOM 562 CA ASN A 37 -0.263 -2.907 4.612 1.00 0.00 C ATOM 563 C ASN A 37 -0.335 -4.048 3.606 1.00 0.00 C ATOM 564 O ASN A 37 -0.400 -5.215 3.976 1.00 0.00 O ATOM 565 CB ASN A 37 -1.008 -3.280 5.897 1.00 0.00 C ATOM 566 CG ASN A 37 -0.154 -3.089 7.135 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.861 -3.762 7.314 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.564 -2.168 7.999 1.00 0.00 N ATOM 0 H ASN A 37 -0.183 -0.919 3.934 1.00 0.00 H new ATOM 0 HA ASN A 37 0.778 -2.718 4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.908 -2.671 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.331 -4.319 5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.031 -1.995 8.851 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.412 -1.633 7.810 1.00 0.00 H new ATOM 575 N PHE A 38 -0.316 -3.667 2.330 1.00 0.00 N ATOM 576 CA PHE A 38 -0.373 -4.586 1.204 1.00 0.00 C ATOM 577 C PHE A 38 -1.745 -5.230 1.082 1.00 0.00 C ATOM 578 O PHE A 38 -1.903 -6.247 0.415 1.00 0.00 O ATOM 579 CB PHE A 38 0.738 -5.636 1.290 1.00 0.00 C ATOM 580 CG PHE A 38 2.112 -5.033 1.230 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.421 -4.083 0.268 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.090 -5.404 2.137 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.678 -3.518 0.209 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.351 -4.841 2.083 1.00 0.00 C ATOM 585 CZ PHE A 38 4.645 -3.897 1.118 1.00 0.00 C ATOM 0 H PHE A 38 -0.259 -2.688 2.048 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.206 -4.008 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.632 -6.196 2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.623 -6.349 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.667 -3.782 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.865 -6.141 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.905 -2.781 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.106 -5.139 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.630 -3.456 1.075 1.00 0.00 H new ATOM 595 N ASN A 39 -2.748 -4.609 1.691 1.00 0.00 N ATOM 596 CA ASN A 39 -4.107 -5.119 1.607 1.00 0.00 C ATOM 597 C ASN A 39 -4.710 -4.713 0.272 1.00 0.00 C ATOM 598 O ASN A 39 -4.942 -3.532 0.011 1.00 0.00 O ATOM 599 CB ASN A 39 -4.955 -4.599 2.767 1.00 0.00 C ATOM 600 CG ASN A 39 -6.351 -5.190 2.778 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.646 -6.133 2.043 1.00 0.00 O ATOM 602 ND2 ASN A 39 -7.221 -4.639 3.616 1.00 0.00 N ATOM 0 H ASN A 39 -2.645 -3.758 2.244 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.088 -6.207 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.458 -4.832 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.024 -3.513 2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.175 -4.996 3.668 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.935 -3.859 4.208 1.00 0.00 H new ATOM 609 N THR A 40 -4.923 -5.700 -0.585 1.00 0.00 N ATOM 610 CA THR A 40 -5.453 -5.463 -1.916 1.00 0.00 C ATOM 611 C THR A 40 -6.894 -5.004 -1.833 1.00 0.00 C ATOM 612 O THR A 40 -7.460 -4.486 -2.794 1.00 0.00 O ATOM 613 CB THR A 40 -5.372 -6.739 -2.775 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.587 -7.489 -2.663 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.204 -7.612 -2.340 1.00 0.00 C ATOM 0 H THR A 40 -4.734 -6.681 -0.378 1.00 0.00 H new ATOM 0 HA THR A 40 -4.850 -4.685 -2.384 1.00 0.00 H new ATOM 0 HB THR A 40 -5.222 -6.437 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.025 -7.535 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.168 -8.507 -2.961 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.273 -7.056 -2.450 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.334 -7.900 -1.297 1.00 0.00 H new ATOM 623 N GLN A 41 -7.478 -5.222 -0.668 1.00 0.00 N ATOM 624 CA GLN A 41 -8.858 -4.867 -0.415 1.00 0.00 C ATOM 625 C GLN A 41 -8.971 -3.704 0.571 1.00 0.00 C ATOM 626 O GLN A 41 -10.072 -3.333 0.980 1.00 0.00 O ATOM 627 CB GLN A 41 -9.576 -6.092 0.133 1.00 0.00 C ATOM 628 CG GLN A 41 -10.246 -6.940 -0.936 1.00 0.00 C ATOM 629 CD GLN A 41 -9.929 -8.416 -0.793 1.00 0.00 C ATOM 630 OE1 GLN A 41 -10.171 -9.017 0.254 1.00 0.00 O ATOM 631 NE2 GLN A 41 -9.383 -9.008 -1.849 1.00 0.00 N ATOM 0 H GLN A 41 -7.006 -5.651 0.128 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.317 -4.541 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.860 -6.708 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.329 -5.769 0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.325 -6.797 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.926 -6.597 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.200 -8.471 -2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.147 -10.000 -1.812 1.00 0.00 H new ATOM 640 N ALA A 42 -7.830 -3.146 0.965 1.00 0.00 N ATOM 641 CA ALA A 42 -7.803 -2.042 1.920 1.00 0.00 C ATOM 642 C ALA A 42 -8.474 -0.783 1.385 1.00 0.00 C ATOM 643 O ALA A 42 -8.139 -0.288 0.306 1.00 0.00 O ATOM 644 CB ALA A 42 -6.373 -1.725 2.320 1.00 0.00 C ATOM 0 H ALA A 42 -6.910 -3.441 0.637 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.370 -2.370 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.369 -0.900 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.921 -2.604 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.802 -1.444 1.435 1.00 0.00 H new ATOM 650 N THR A 43 -9.404 -0.259 2.175 1.00 0.00 N ATOM 651 CA THR A 43 -10.124 0.960 1.834 1.00 0.00 C ATOM 652 C THR A 43 -9.916 1.999 2.934 1.00 0.00 C ATOM 653 O THR A 43 -10.030 1.680 4.118 1.00 0.00 O ATOM 654 CB THR A 43 -11.634 0.697 1.670 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.291 0.798 2.939 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.884 -0.681 1.074 1.00 0.00 C ATOM 0 H THR A 43 -9.679 -0.667 3.068 1.00 0.00 H new ATOM 0 HA THR A 43 -9.733 1.327 0.885 1.00 0.00 H new ATOM 0 HB THR A 43 -12.037 1.448 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.625 0.756 3.657 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.957 -0.843 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.409 -0.746 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.465 -1.443 1.731 1.00 0.00 H new ATOM 664 N ASN A 44 -9.599 3.234 2.554 1.00 0.00 N ATOM 665 CA ASN A 44 -9.368 4.288 3.538 1.00 0.00 C ATOM 666 C ASN A 44 -10.155 5.549 3.195 1.00 0.00 C ATOM 667 O ASN A 44 -9.860 6.228 2.212 1.00 0.00 O ATOM 668 CB ASN A 44 -7.875 4.613 3.624 1.00 0.00 C ATOM 669 CG ASN A 44 -7.485 5.180 4.975 1.00 0.00 C ATOM 670 OD1 ASN A 44 -8.169 6.047 5.518 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.379 4.692 5.524 1.00 0.00 N ATOM 0 H ASN A 44 -9.497 3.528 1.583 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.714 3.924 4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.297 3.709 3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.616 5.329 2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.066 5.036 6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.843 3.973 5.038 1.00 0.00 H new ATOM 678 N ARG A 45 -11.151 5.859 4.018 1.00 0.00 N ATOM 679 CA ARG A 45 -11.980 7.040 3.808 1.00 0.00 C ATOM 680 C ARG A 45 -11.322 8.280 4.405 1.00 0.00 C ATOM 681 O ARG A 45 -10.972 8.303 5.586 1.00 0.00 O ATOM 682 CB ARG A 45 -13.366 6.836 4.424 1.00 0.00 C ATOM 683 CG ARG A 45 -13.327 6.305 5.848 1.00 0.00 C ATOM 684 CD ARG A 45 -14.727 6.076 6.395 1.00 0.00 C ATOM 685 NE ARG A 45 -15.215 7.229 7.147 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.966 8.191 6.618 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.313 8.139 5.339 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.371 9.206 7.369 1.00 0.00 N ATOM 0 H ARG A 45 -11.404 5.308 4.838 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.088 7.189 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.902 7.785 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.932 6.143 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.768 5.370 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.797 7.011 6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.409 5.866 5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.725 5.197 7.039 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.966 7.301 8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.004 7.360 4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.889 8.878 4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.107 9.250 8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.947 9.943 6.962 1.00 0.00 H new ATOM 702 N ASN A 46 -11.156 9.310 3.581 1.00 0.00 N ATOM 703 CA ASN A 46 -10.539 10.555 4.026 1.00 0.00 C ATOM 704 C ASN A 46 -11.593 11.628 4.272 1.00 0.00 C ATOM 705 O ASN A 46 -12.778 11.423 4.006 1.00 0.00 O ATOM 706 CB ASN A 46 -9.527 11.048 2.989 1.00 0.00 C ATOM 707 CG ASN A 46 -8.797 9.909 2.306 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.786 9.416 2.806 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.306 9.485 1.156 1.00 0.00 N ATOM 0 H ASN A 46 -11.440 9.307 2.601 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.021 10.357 4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.043 11.647 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.802 11.701 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.857 8.721 0.650 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.146 9.923 0.778 1.00 0.00 H new ATOM 716 N THR A 47 -11.151 12.773 4.780 1.00 0.00 N ATOM 717 CA THR A 47 -12.052 13.883 5.065 1.00 0.00 C ATOM 718 C THR A 47 -12.349 14.686 3.803 1.00 0.00 C ATOM 719 O THR A 47 -13.264 15.509 3.781 1.00 0.00 O ATOM 720 CB THR A 47 -11.463 14.825 6.131 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.272 15.447 5.635 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.148 14.064 7.411 1.00 0.00 C ATOM 0 H THR A 47 -10.173 12.957 5.003 1.00 0.00 H new ATOM 0 HA THR A 47 -12.977 13.450 5.445 1.00 0.00 H new ATOM 0 HB THR A 47 -12.205 15.591 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.906 16.045 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.733 14.750 8.149 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.062 13.618 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.423 13.278 7.198 1.00 0.00 H new ATOM 730 N ASP A 48 -11.570 14.442 2.754 1.00 0.00 N ATOM 731 CA ASP A 48 -11.751 15.142 1.488 1.00 0.00 C ATOM 732 C ASP A 48 -12.971 14.613 0.740 1.00 0.00 C ATOM 733 O ASP A 48 -13.384 15.178 -0.273 1.00 0.00 O ATOM 734 CB ASP A 48 -10.501 14.998 0.618 1.00 0.00 C ATOM 735 CG ASP A 48 -10.033 13.560 0.506 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.873 12.648 0.656 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.826 13.346 0.268 1.00 0.00 O ATOM 0 H ASP A 48 -10.807 13.765 2.756 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.913 16.197 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.709 15.387 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.699 15.606 1.037 1.00 0.00 H new ATOM 742 N GLY A 49 -13.544 13.526 1.248 1.00 0.00 N ATOM 743 CA GLY A 49 -14.711 12.938 0.619 1.00 0.00 C ATOM 744 C GLY A 49 -14.380 11.686 -0.168 1.00 0.00 C ATOM 745 O GLY A 49 -15.193 10.767 -0.255 1.00 0.00 O ATOM 0 H GLY A 49 -13.220 13.042 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.449 12.697 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.169 13.670 -0.046 1.00 0.00 H new ATOM 749 N SER A 50 -13.182 11.650 -0.745 1.00 0.00 N ATOM 750 CA SER A 50 -12.748 10.499 -1.529 1.00 0.00 C ATOM 751 C SER A 50 -12.306 9.354 -0.624 1.00 0.00 C ATOM 752 O SER A 50 -12.412 9.437 0.600 1.00 0.00 O ATOM 753 CB SER A 50 -11.608 10.890 -2.471 1.00 0.00 C ATOM 754 OG SER A 50 -10.837 11.950 -1.932 1.00 0.00 O ATOM 0 H SER A 50 -12.496 12.403 -0.684 1.00 0.00 H new ATOM 0 HA SER A 50 -13.597 10.161 -2.122 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.968 10.026 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.017 11.189 -3.436 1.00 0.00 H new ATOM 0 HG SER A 50 -10.699 11.799 -0.974 1.00 0.00 H new ATOM 760 N THR A 51 -11.818 8.283 -1.240 1.00 0.00 N ATOM 761 CA THR A 51 -11.367 7.112 -0.498 1.00 0.00 C ATOM 762 C THR A 51 -10.140 6.482 -1.148 1.00 0.00 C ATOM 763 O THR A 51 -9.739 6.867 -2.246 1.00 0.00 O ATOM 764 CB THR A 51 -12.484 6.056 -0.406 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.766 6.697 -0.414 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.344 5.218 0.856 1.00 0.00 C ATOM 0 H THR A 51 -11.725 8.202 -2.252 1.00 0.00 H new ATOM 0 HA THR A 51 -11.104 7.450 0.504 1.00 0.00 H new ATOM 0 HB THR A 51 -12.397 5.398 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.466 6.026 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.146 4.481 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.381 4.707 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.404 5.865 1.731 1.00 0.00 H new ATOM 774 N ASP A 52 -9.549 5.508 -0.463 1.00 0.00 N ATOM 775 CA ASP A 52 -8.368 4.814 -0.966 1.00 0.00 C ATOM 776 C ASP A 52 -8.645 3.326 -1.090 1.00 0.00 C ATOM 777 O ASP A 52 -8.412 2.560 -0.155 1.00 0.00 O ATOM 778 CB ASP A 52 -7.177 5.051 -0.037 1.00 0.00 C ATOM 779 CG ASP A 52 -6.767 6.510 0.016 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.548 7.104 -1.061 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.665 7.059 1.132 1.00 0.00 O ATOM 0 H ASP A 52 -9.871 5.180 0.447 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.127 5.210 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.430 4.711 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.332 4.451 -0.374 1.00 0.00 H new ATOM 786 N TYR A 53 -9.150 2.922 -2.249 1.00 0.00 N ATOM 787 CA TYR A 53 -9.465 1.525 -2.486 1.00 0.00 C ATOM 788 C TYR A 53 -8.357 0.825 -3.261 1.00 0.00 C ATOM 789 O TYR A 53 -8.463 0.641 -4.469 1.00 0.00 O ATOM 790 CB TYR A 53 -10.778 1.386 -3.262 1.00 0.00 C ATOM 791 CG TYR A 53 -11.961 2.088 -2.634 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.493 1.653 -1.430 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.554 3.178 -3.259 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.584 2.283 -0.862 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.644 3.815 -2.697 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.155 3.364 -1.499 1.00 0.00 C ATOM 797 OH TYR A 53 -15.242 3.994 -0.937 1.00 0.00 O ATOM 0 H TYR A 53 -9.348 3.542 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.565 1.053 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.633 1.778 -4.269 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -11.014 0.327 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.047 0.807 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.157 3.533 -4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.987 1.930 0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.093 4.662 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.198 3.914 0.039 1.00 0.00 H new ATOM 807 N GLY A 54 -7.279 0.455 -2.588 1.00 0.00 N ATOM 808 CA GLY A 54 -6.198 -0.215 -3.287 1.00 0.00 C ATOM 809 C GLY A 54 -4.943 -0.343 -2.453 1.00 0.00 C ATOM 810 O GLY A 54 -4.792 0.339 -1.439 1.00 0.00 O ATOM 0 H GLY A 54 -7.132 0.602 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.529 -1.208 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.967 0.335 -4.199 1.00 0.00 H new ATOM 814 N ILE A 55 -4.023 -1.194 -2.899 1.00 0.00 N ATOM 815 CA ILE A 55 -2.761 -1.370 -2.200 1.00 0.00 C ATOM 816 C ILE A 55 -1.961 -0.085 -2.332 1.00 0.00 C ATOM 817 O ILE A 55 -1.131 0.248 -1.488 1.00 0.00 O ATOM 818 CB ILE A 55 -1.937 -2.544 -2.773 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.725 -2.823 -1.881 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.497 -2.233 -4.195 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.070 -4.040 -2.302 1.00 0.00 C ATOM 0 H ILE A 55 -4.130 -1.767 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.974 -1.600 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.562 -3.437 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.071 -1.951 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.064 -2.958 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.917 -3.068 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.375 -2.075 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.883 -1.332 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.913 -4.176 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.569 -4.922 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.439 -3.900 -3.318 1.00 0.00 H new ATOM 833 N LEU A 56 -2.261 0.644 -3.403 1.00 0.00 N ATOM 834 CA LEU A 56 -1.627 1.920 -3.678 1.00 0.00 C ATOM 835 C LEU A 56 -2.646 3.035 -3.480 1.00 0.00 C ATOM 836 O LEU A 56 -2.395 4.188 -3.829 1.00 0.00 O ATOM 837 CB LEU A 56 -1.071 1.960 -5.112 1.00 0.00 C ATOM 838 CG LEU A 56 0.448 2.162 -5.233 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.922 3.270 -4.303 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.180 0.863 -4.929 1.00 0.00 C ATOM 0 H LEU A 56 -2.950 0.363 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.792 2.056 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.336 1.028 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.570 2.764 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 56 0.674 2.458 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.000 3.395 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.422 4.203 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.684 3.007 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.255 1.021 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.944 0.541 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.866 0.095 -5.636 1.00 0.00 H new ATOM 852 N GLN A 57 -3.805 2.674 -2.910 1.00 0.00 N ATOM 853 CA GLN A 57 -4.885 3.625 -2.646 1.00 0.00 C ATOM 854 C GLN A 57 -5.563 4.079 -3.935 1.00 0.00 C ATOM 855 O GLN A 57 -5.340 5.201 -4.391 1.00 0.00 O ATOM 856 CB GLN A 57 -4.355 4.838 -1.877 1.00 0.00 C ATOM 857 CG GLN A 57 -3.772 4.489 -0.518 1.00 0.00 C ATOM 858 CD GLN A 57 -3.608 5.704 0.374 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.066 6.727 -0.044 1.00 0.00 O ATOM 860 NE2 GLN A 57 -4.078 5.598 1.612 1.00 0.00 N ATOM 0 H GLN A 57 -4.016 1.719 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.630 3.113 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.589 5.331 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.165 5.555 -1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.419 3.765 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.803 4.009 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.520 4.731 1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.997 6.384 2.257 1.00 0.00 H new ATOM 869 N ILE A 58 -6.385 3.211 -4.537 1.00 0.00 N ATOM 870 CA ILE A 58 -7.055 3.565 -5.769 1.00 0.00 C ATOM 871 C ILE A 58 -8.349 4.297 -5.480 1.00 0.00 C ATOM 872 O ILE A 58 -9.403 3.683 -5.308 1.00 0.00 O ATOM 873 CB ILE A 58 -7.343 2.325 -6.637 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.125 1.395 -6.656 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.722 2.742 -8.049 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.827 2.091 -7.014 1.00 0.00 C ATOM 0 H ILE A 58 -6.593 2.275 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.385 4.221 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.183 1.783 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.019 0.931 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.304 0.592 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.922 1.854 -8.649 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.614 3.367 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.901 3.304 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.012 1.367 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.912 2.531 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.622 2.876 -6.286 1.00 0.00 H new ATOM 888 N ASN A 59 -8.259 5.618 -5.431 1.00 0.00 N ATOM 889 CA ASN A 59 -9.421 6.443 -5.174 1.00 0.00 C ATOM 890 C ASN A 59 -10.433 6.249 -6.289 1.00 0.00 C ATOM 891 O ASN A 59 -10.310 6.843 -7.356 1.00 0.00 O ATOM 892 CB ASN A 59 -9.014 7.912 -5.076 1.00 0.00 C ATOM 893 CG ASN A 59 -10.195 8.827 -4.813 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.270 8.374 -4.422 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.997 10.123 -5.022 1.00 0.00 N ATOM 0 H ASN A 59 -7.392 6.138 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.871 6.148 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.282 8.030 -4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.525 8.213 -6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.753 10.787 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.089 10.454 -5.347 1.00 0.00 H new ATOM 902 N SER A 60 -11.429 5.409 -6.045 1.00 0.00 N ATOM 903 CA SER A 60 -12.456 5.138 -7.046 1.00 0.00 C ATOM 904 C SER A 60 -13.240 6.401 -7.408 1.00 0.00 C ATOM 905 O SER A 60 -14.001 6.405 -8.376 1.00 0.00 O ATOM 906 CB SER A 60 -13.415 4.061 -6.540 1.00 0.00 C ATOM 907 OG SER A 60 -14.422 4.619 -5.715 1.00 0.00 O ATOM 0 H SER A 60 -11.549 4.904 -5.167 1.00 0.00 H new ATOM 0 HA SER A 60 -11.953 4.785 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.875 3.553 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.859 3.308 -5.981 1.00 0.00 H new ATOM 0 HG SER A 60 -14.317 4.285 -4.800 1.00 0.00 H new ATOM 913 N ARG A 61 -13.055 7.468 -6.635 1.00 0.00 N ATOM 914 CA ARG A 61 -13.754 8.724 -6.893 1.00 0.00 C ATOM 915 C ARG A 61 -13.015 9.551 -7.940 1.00 0.00 C ATOM 916 O ARG A 61 -13.590 9.947 -8.954 1.00 0.00 O ATOM 917 CB ARG A 61 -13.897 9.529 -5.598 1.00 0.00 C ATOM 918 CG ARG A 61 -14.736 10.787 -5.754 1.00 0.00 C ATOM 919 CD ARG A 61 -15.371 11.198 -4.435 1.00 0.00 C ATOM 920 NE ARG A 61 -15.594 12.639 -4.361 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.270 13.232 -3.381 1.00 0.00 C ATOM 922 NH1 ARG A 61 -16.788 12.510 -2.396 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.428 14.549 -3.385 1.00 0.00 N ATOM 0 H ARG A 61 -12.430 7.489 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.747 8.487 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.346 8.895 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.905 9.806 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.111 11.599 -6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.515 10.617 -6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.321 10.677 -4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.728 10.888 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.210 13.224 -5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.668 11.497 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.306 12.968 -1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.031 15.108 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.947 15.003 -2.633 1.00 0.00 H new ATOM 937 N TRP A 62 -11.734 9.800 -7.689 1.00 0.00 N ATOM 938 CA TRP A 62 -10.910 10.571 -8.613 1.00 0.00 C ATOM 939 C TRP A 62 -10.441 9.695 -9.769 1.00 0.00 C ATOM 940 O TRP A 62 -10.477 10.104 -10.929 1.00 0.00 O ATOM 941 CB TRP A 62 -9.703 11.167 -7.885 1.00 0.00 C ATOM 942 CG TRP A 62 -9.276 12.494 -8.431 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.209 12.741 -9.246 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.906 13.760 -8.201 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.137 14.082 -9.537 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.168 14.728 -8.908 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.024 14.168 -7.467 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.512 16.077 -8.901 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.364 15.508 -7.462 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.610 16.448 -8.175 1.00 0.00 C ATOM 0 H TRP A 62 -11.244 9.479 -6.854 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.516 11.384 -9.013 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.944 11.278 -6.828 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.868 10.470 -7.950 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.521 11.991 -9.609 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.431 14.524 -10.125 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.611 13.450 -6.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.932 16.805 -9.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.225 15.835 -6.899 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.902 17.488 -8.151 1.00 0.00 H new ATOM 961 N TRP A 63 -10.005 8.484 -9.438 1.00 0.00 N ATOM 962 CA TRP A 63 -9.529 7.540 -10.441 1.00 0.00 C ATOM 963 C TRP A 63 -10.521 6.399 -10.640 1.00 0.00 C ATOM 964 O TRP A 63 -11.355 6.129 -9.777 1.00 0.00 O ATOM 965 CB TRP A 63 -8.172 6.956 -10.033 1.00 0.00 C ATOM 966 CG TRP A 63 -7.172 7.986 -9.606 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.546 8.083 -8.397 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.684 9.062 -10.399 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.685 9.157 -8.400 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.756 9.776 -9.622 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.946 9.485 -11.696 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.085 10.896 -10.110 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.291 10.592 -12.182 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.366 11.291 -11.393 1.00 0.00 C ATOM 0 H TRP A 63 -9.972 8.133 -8.481 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.425 8.087 -11.378 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.322 6.249 -9.217 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.763 6.392 -10.872 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.703 7.416 -7.562 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.092 9.445 -7.622 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.654 8.952 -12.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.372 11.432 -9.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.492 10.929 -13.188 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.866 12.156 -11.803 1.00 0.00 H new ATOM 985 N CYS A 64 -10.378 5.718 -11.775 1.00 0.00 N ATOM 986 CA CYS A 64 -11.207 4.566 -12.143 1.00 0.00 C ATOM 987 C CYS A 64 -12.702 4.804 -11.959 1.00 0.00 C ATOM 988 O CYS A 64 -13.143 5.486 -11.036 1.00 0.00 O ATOM 989 CB CYS A 64 -10.777 3.320 -11.358 1.00 0.00 C ATOM 990 SG CYS A 64 -11.666 3.056 -9.785 1.00 0.00 S ATOM 0 H CYS A 64 -9.675 5.952 -12.476 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.044 4.410 -13.209 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.919 2.443 -11.990 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.710 3.392 -11.148 1.00 0.00 H new ATOM 995 N ASN A 65 -13.481 4.211 -12.855 1.00 0.00 N ATOM 996 CA ASN A 65 -14.934 4.329 -12.805 1.00 0.00 C ATOM 997 C ASN A 65 -15.536 3.162 -12.029 1.00 0.00 C ATOM 998 O ASN A 65 -15.600 2.039 -12.528 1.00 0.00 O ATOM 999 CB ASN A 65 -15.515 4.372 -14.219 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.031 4.414 -14.220 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.640 5.257 -13.561 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.648 3.503 -14.963 1.00 0.00 N ATOM 0 H ASN A 65 -13.131 3.643 -13.626 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.186 5.258 -12.294 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.130 5.248 -14.741 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.178 3.497 -14.774 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.667 3.483 -15.004 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.103 2.823 -15.493 1.00 0.00 H new ATOM 1009 N ASP A 66 -15.970 3.435 -10.803 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.560 2.404 -9.955 1.00 0.00 C ATOM 1011 C ASP A 66 -18.081 2.398 -10.071 1.00 0.00 C ATOM 1012 O ASP A 66 -18.727 1.383 -9.808 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.147 2.615 -8.498 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.801 3.836 -7.882 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.636 4.943 -8.437 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.478 3.686 -6.843 1.00 0.00 O ATOM 0 H ASP A 66 -15.925 4.360 -10.374 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.189 1.437 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.412 1.732 -7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.063 2.720 -8.442 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.648 3.533 -10.472 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.088 3.630 -10.620 1.00 0.00 C ATOM 1023 C GLY A 67 -20.814 3.734 -9.291 1.00 0.00 C ATOM 1024 O GLY A 67 -21.991 4.091 -9.247 1.00 0.00 O ATOM 0 H GLY A 67 -18.135 4.386 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.327 4.502 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.452 2.756 -11.160 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.113 3.419 -8.205 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.703 3.477 -6.873 1.00 0.00 C ATOM 1030 C ARG A 68 -20.434 4.828 -6.215 1.00 0.00 C ATOM 1031 O ARG A 68 -20.934 5.108 -5.126 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.150 2.351 -5.997 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.092 1.166 -5.866 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.966 0.221 -7.049 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.906 0.550 -8.116 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.183 0.180 -8.115 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.670 -0.530 -7.107 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -23.974 0.521 -9.124 1.00 0.00 N ATOM 0 H ARG A 68 -19.137 3.122 -8.222 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.781 3.352 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.203 2.008 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.936 2.746 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.874 0.627 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.119 1.523 -5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.948 0.261 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.140 -0.802 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.564 1.095 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -23.065 -0.794 -6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -24.650 -0.812 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -23.603 1.067 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -24.954 0.237 -9.123 1.00 0.00 H new ATOM 1052 N THR A 69 -19.642 5.660 -6.884 1.00 0.00 N ATOM 1053 CA THR A 69 -19.309 6.981 -6.364 1.00 0.00 C ATOM 1054 C THR A 69 -19.978 8.079 -7.188 1.00 0.00 C ATOM 1055 O THR A 69 -19.783 8.161 -8.401 1.00 0.00 O ATOM 1056 CB THR A 69 -17.787 7.215 -6.358 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.123 6.110 -5.735 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.440 8.500 -5.620 1.00 0.00 C ATOM 0 H THR A 69 -19.219 5.443 -7.787 1.00 0.00 H new ATOM 0 HA THR A 69 -19.679 7.021 -5.339 1.00 0.00 H new ATOM 0 HB THR A 69 -17.452 7.305 -7.391 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.559 5.274 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.360 8.644 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.923 9.344 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 69 -17.789 8.433 -4.589 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.781 8.943 -6.538 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.477 10.037 -7.220 1.00 0.00 C ATOM 1068 C PRO A 70 -20.522 11.136 -7.676 1.00 0.00 C ATOM 1069 O PRO A 70 -20.318 12.126 -6.973 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.435 10.569 -6.152 1.00 0.00 C ATOM 1071 CG PRO A 70 -21.790 10.218 -4.857 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.071 8.919 -5.091 1.00 0.00 C ATOM 0 HA PRO A 70 -21.976 9.699 -8.128 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.574 11.646 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.420 10.111 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.096 10.997 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -22.533 10.116 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.158 8.853 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.689 8.063 -4.819 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.939 10.953 -8.857 1.00 0.00 N ATOM 1081 CA GLY A 71 -19.013 11.936 -9.387 1.00 0.00 C ATOM 1082 C GLY A 71 -17.720 11.313 -9.877 1.00 0.00 C ATOM 1083 O GLY A 71 -16.691 11.985 -9.956 1.00 0.00 O ATOM 0 H GLY A 71 -20.092 10.142 -9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.488 12.472 -10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.788 12.672 -8.615 1.00 0.00 H new ATOM 1087 N SER A 72 -17.772 10.026 -10.209 1.00 0.00 N ATOM 1088 CA SER A 72 -16.597 9.312 -10.694 1.00 0.00 C ATOM 1089 C SER A 72 -16.057 9.956 -11.967 1.00 0.00 C ATOM 1090 O SER A 72 -16.718 9.950 -13.006 1.00 0.00 O ATOM 1091 CB SER A 72 -16.937 7.844 -10.957 1.00 0.00 C ATOM 1092 OG SER A 72 -17.520 7.243 -9.813 1.00 0.00 O ATOM 0 H SER A 72 -18.616 9.457 -10.151 1.00 0.00 H new ATOM 0 HA SER A 72 -15.827 9.367 -9.924 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.624 7.772 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.033 7.302 -11.236 1.00 0.00 H new ATOM 0 HG SER A 72 -16.989 6.464 -9.546 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.853 10.513 -11.878 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.224 11.164 -13.022 1.00 0.00 C ATOM 1100 C ARG A 73 -13.792 10.139 -14.066 1.00 0.00 C ATOM 1101 O ARG A 73 -13.940 10.365 -15.267 1.00 0.00 O ATOM 1102 CB ARG A 73 -13.015 11.984 -12.566 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.882 13.320 -13.279 1.00 0.00 C ATOM 1104 CD ARG A 73 -13.844 14.352 -12.714 1.00 0.00 C ATOM 1105 NE ARG A 73 -15.102 14.392 -13.454 1.00 0.00 N ATOM 1106 CZ ARG A 73 -16.114 15.199 -13.146 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -16.015 16.029 -12.117 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -17.225 15.174 -13.868 1.00 0.00 N ATOM 0 H ARG A 73 -14.293 10.527 -11.025 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.958 11.830 -13.477 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.090 12.160 -11.493 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.108 11.402 -12.731 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.859 13.684 -13.183 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.075 13.186 -14.343 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.046 14.124 -11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.376 15.336 -12.741 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.211 13.766 -14.252 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.161 16.050 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.792 16.647 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.304 14.536 -14.660 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.001 15.793 -13.632 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.251 9.016 -13.597 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.788 7.952 -14.486 1.00 0.00 C ATOM 1124 C ASN A 74 -11.620 8.452 -15.322 1.00 0.00 C ATOM 1125 O ASN A 74 -11.494 8.130 -16.503 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.926 7.473 -15.393 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.566 6.215 -16.161 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.983 6.033 -17.305 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -12.790 5.337 -15.535 1.00 0.00 N ATOM 0 H ASN A 74 -13.122 8.819 -12.604 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.457 7.108 -13.881 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.813 7.285 -14.789 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.182 8.264 -16.098 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.518 4.472 -16.003 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.466 5.527 -14.587 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.757 9.227 -14.681 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.578 9.769 -15.319 1.00 0.00 C ATOM 1138 C LEU A 75 -8.673 8.652 -15.766 1.00 0.00 C ATOM 1139 O LEU A 75 -8.576 8.310 -16.944 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.838 10.613 -14.296 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.195 12.098 -14.301 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.486 12.828 -13.171 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.856 12.729 -15.643 1.00 0.00 C ATOM 0 H LEU A 75 -10.860 9.495 -13.702 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.867 10.363 -16.186 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.038 10.211 -13.303 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.767 10.512 -14.471 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.270 12.188 -14.143 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.755 13.884 -13.194 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.786 12.398 -12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.408 12.726 -13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.118 13.787 -15.624 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.788 12.623 -15.835 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.418 12.230 -16.432 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.045 8.093 -14.763 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.146 6.982 -14.909 1.00 0.00 C ATOM 1157 C CYS A 76 -7.694 6.013 -15.952 1.00 0.00 C ATOM 1158 O CYS A 76 -6.954 5.466 -16.771 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.037 6.321 -13.557 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.338 6.003 -12.995 1.00 0.00 S ATOM 0 H CYS A 76 -8.149 8.408 -13.798 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.162 7.305 -15.248 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.536 6.950 -12.820 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.577 5.375 -13.587 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.014 5.823 -15.903 1.00 0.00 N ATOM 1166 CA ASN A 77 -9.716 4.939 -16.829 1.00 0.00 C ATOM 1167 C ASN A 77 -9.301 3.494 -16.608 1.00 0.00 C ATOM 1168 O ASN A 77 -9.053 2.753 -17.560 1.00 0.00 O ATOM 1169 CB ASN A 77 -9.443 5.350 -18.279 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.448 6.362 -18.792 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -10.096 7.501 -19.102 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.707 5.951 -18.885 1.00 0.00 N ATOM 0 H ASN A 77 -9.623 6.277 -15.222 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.785 5.027 -16.637 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.440 5.769 -18.352 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.466 4.465 -18.915 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.428 6.588 -19.224 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.954 4.998 -18.617 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.219 3.102 -15.345 1.00 0.00 N ATOM 1180 CA ILE A 78 -8.825 1.751 -14.994 1.00 0.00 C ATOM 1181 C ILE A 78 -9.957 1.012 -14.292 1.00 0.00 C ATOM 1182 O ILE A 78 -10.803 1.628 -13.649 1.00 0.00 O ATOM 1183 CB ILE A 78 -7.565 1.759 -14.094 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -7.834 1.093 -12.727 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.070 3.182 -13.920 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.618 1.999 -11.529 1.00 0.00 C ATOM 0 H ILE A 78 -9.421 3.704 -14.547 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.592 1.228 -15.921 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.790 1.171 -14.585 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.862 0.730 -12.711 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.186 0.222 -12.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.183 3.184 -13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.820 3.602 -14.894 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.850 3.784 -13.454 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.830 1.448 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.584 2.343 -11.514 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.285 2.858 -11.598 1.00 0.00 H new ATOM 1198 N PRO A 79 -9.977 -0.328 -14.376 1.00 0.00 N ATOM 1199 CA PRO A 79 -10.993 -1.128 -13.705 1.00 0.00 C ATOM 1200 C PRO A 79 -10.667 -1.247 -12.221 1.00 0.00 C ATOM 1201 O PRO A 79 -9.630 -1.798 -11.852 1.00 0.00 O ATOM 1202 CB PRO A 79 -10.886 -2.481 -14.403 1.00 0.00 C ATOM 1203 CG PRO A 79 -9.459 -2.574 -14.830 1.00 0.00 C ATOM 1204 CD PRO A 79 -8.997 -1.163 -15.097 1.00 0.00 C ATOM 0 HA PRO A 79 -11.995 -0.704 -13.762 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.152 -3.296 -13.730 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -11.560 -2.540 -15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.852 -3.040 -14.054 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.361 -3.190 -15.724 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.984 -0.998 -14.730 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.990 -0.940 -16.164 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.534 -0.708 -11.371 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.303 -0.739 -9.933 1.00 0.00 C ATOM 1214 C CYS A 80 -11.316 -2.169 -9.389 1.00 0.00 C ATOM 1215 O CYS A 80 -10.317 -2.642 -8.855 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.344 0.124 -9.214 1.00 0.00 C ATOM 1217 SG CYS A 80 -12.953 1.536 -10.201 1.00 0.00 S ATOM 0 H CYS A 80 -12.399 -0.247 -11.652 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.311 -0.329 -9.743 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.191 -0.503 -8.936 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -11.910 0.502 -8.288 1.00 0.00 H new ATOM 1222 N SER A 81 -12.453 -2.846 -9.504 1.00 0.00 N ATOM 1223 CA SER A 81 -12.586 -4.214 -9.001 1.00 0.00 C ATOM 1224 C SER A 81 -11.504 -5.147 -9.558 1.00 0.00 C ATOM 1225 O SER A 81 -11.137 -6.130 -8.914 1.00 0.00 O ATOM 1226 CB SER A 81 -13.969 -4.768 -9.345 1.00 0.00 C ATOM 1227 OG SER A 81 -14.276 -4.563 -10.713 1.00 0.00 O ATOM 0 H SER A 81 -13.296 -2.473 -9.940 1.00 0.00 H new ATOM 0 HA SER A 81 -12.461 -4.172 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.004 -5.833 -9.117 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.723 -4.284 -8.724 1.00 0.00 H new ATOM 0 HG SER A 81 -15.165 -4.928 -10.907 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.006 -4.847 -10.755 1.00 0.00 N ATOM 1234 CA ALA A 82 -9.981 -5.679 -11.387 1.00 0.00 C ATOM 1235 C ALA A 82 -8.630 -5.552 -10.683 1.00 0.00 C ATOM 1236 O ALA A 82 -7.696 -6.298 -10.976 1.00 0.00 O ATOM 1237 CB ALA A 82 -9.843 -5.319 -12.857 1.00 0.00 C ATOM 0 H ALA A 82 -11.293 -4.038 -11.306 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.301 -6.717 -11.299 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.077 -5.945 -13.315 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.795 -5.482 -13.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.558 -4.271 -12.950 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.536 -4.609 -9.755 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.297 -4.391 -9.011 1.00 0.00 C ATOM 1245 C LEU A 83 -7.391 -4.975 -7.608 1.00 0.00 C ATOM 1246 O LEU A 83 -6.411 -4.989 -6.864 1.00 0.00 O ATOM 1247 CB LEU A 83 -6.965 -2.896 -8.936 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.676 -2.117 -7.826 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.773 -1.969 -6.611 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.116 -0.753 -8.334 1.00 0.00 C ATOM 0 H LEU A 83 -9.299 -3.983 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.496 -4.902 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.889 -2.787 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.213 -2.438 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.562 -2.677 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.297 -1.413 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.506 -2.956 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.868 -1.432 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.620 -0.212 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.243 -0.188 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.801 -0.881 -9.172 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.581 -5.435 -7.243 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.807 -5.995 -5.918 1.00 0.00 C ATOM 1264 C LEU A 84 -8.756 -7.521 -5.922 1.00 0.00 C ATOM 1265 O LEU A 84 -8.670 -8.143 -4.863 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.155 -5.510 -5.386 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.550 -4.104 -5.843 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.994 -3.805 -5.481 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.618 -3.067 -5.235 1.00 0.00 C ATOM 0 H LEU A 84 -9.404 -5.431 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.005 -5.651 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.928 -6.211 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.130 -5.530 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.457 -4.058 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.252 -2.800 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.648 -4.529 -5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.119 -3.871 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.912 -2.072 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.678 -3.116 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.594 -3.268 -5.551 1.00 0.00 H new ATOM 1281 N SER A 85 -8.829 -8.126 -7.107 1.00 0.00 N ATOM 1282 CA SER A 85 -8.807 -9.586 -7.217 1.00 0.00 C ATOM 1283 C SER A 85 -7.404 -10.148 -7.018 1.00 0.00 C ATOM 1284 O SER A 85 -6.991 -11.091 -7.694 1.00 0.00 O ATOM 1285 CB SER A 85 -9.372 -10.035 -8.566 1.00 0.00 C ATOM 1286 OG SER A 85 -10.037 -11.281 -8.451 1.00 0.00 O ATOM 0 H SER A 85 -8.903 -7.634 -7.997 1.00 0.00 H new ATOM 0 HA SER A 85 -9.438 -9.980 -6.421 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.065 -9.283 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.564 -10.116 -9.293 1.00 0.00 H new ATOM 0 HG SER A 85 -10.390 -11.545 -9.326 1.00 0.00 H new ATOM 1292 N SER A 86 -6.691 -9.548 -6.082 1.00 0.00 N ATOM 1293 CA SER A 86 -5.325 -9.946 -5.748 1.00 0.00 C ATOM 1294 C SER A 86 -4.416 -9.604 -6.904 1.00 0.00 C ATOM 1295 O SER A 86 -3.370 -10.220 -7.110 1.00 0.00 O ATOM 1296 CB SER A 86 -5.252 -11.443 -5.432 1.00 0.00 C ATOM 1297 OG SER A 86 -4.008 -11.779 -4.844 1.00 0.00 O ATOM 0 H SER A 86 -7.040 -8.767 -5.527 1.00 0.00 H new ATOM 0 HA SER A 86 -5.003 -9.405 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.063 -11.715 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.393 -12.018 -6.347 1.00 0.00 H new ATOM 0 HG SER A 86 -3.290 -11.287 -5.294 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.863 -8.632 -7.676 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.159 -8.184 -8.854 1.00 0.00 C ATOM 1305 C ASP A 87 -3.789 -6.711 -8.743 1.00 0.00 C ATOM 1306 O ASP A 87 -4.667 -5.849 -8.711 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.082 -8.404 -10.041 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.375 -8.266 -11.375 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.308 -8.892 -11.548 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.888 -7.534 -12.246 1.00 0.00 O ATOM 0 H ASP A 87 -5.733 -8.129 -7.498 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.230 -8.742 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.524 -9.398 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.902 -7.687 -9.995 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.493 -6.417 -8.688 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.040 -5.036 -8.586 1.00 0.00 C ATOM 1317 C ILE A 88 -1.969 -4.379 -9.956 1.00 0.00 C ATOM 1318 O ILE A 88 -1.739 -3.179 -10.058 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.654 -4.928 -7.919 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.183 -6.179 -8.195 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.800 -4.698 -6.424 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.671 -5.957 -8.039 1.00 0.00 C ATOM 0 H ILE A 88 -1.745 -7.110 -8.712 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.773 -4.521 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.134 -4.073 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.131 -6.973 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.020 -6.526 -9.208 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.188 -4.624 -5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.350 -3.773 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.343 -5.532 -5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.201 -6.886 -8.250 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.999 -5.186 -8.736 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.887 -5.640 -7.019 1.00 0.00 H new ATOM 1334 N THR A 89 -2.153 -5.174 -11.006 1.00 0.00 N ATOM 1335 CA THR A 89 -2.096 -4.662 -12.371 1.00 0.00 C ATOM 1336 C THR A 89 -2.920 -3.390 -12.534 1.00 0.00 C ATOM 1337 O THR A 89 -2.388 -2.341 -12.889 1.00 0.00 O ATOM 1338 CB THR A 89 -2.591 -5.712 -13.384 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.040 -6.997 -13.068 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.202 -5.323 -14.802 1.00 0.00 C ATOM 0 H THR A 89 -2.343 -6.174 -10.938 1.00 0.00 H new ATOM 0 HA THR A 89 -1.049 -4.432 -12.570 1.00 0.00 H new ATOM 0 HB THR A 89 -3.678 -5.758 -13.323 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.062 -6.937 -13.045 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.563 -6.080 -15.499 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.647 -4.360 -15.050 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.117 -5.251 -14.875 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.223 -3.491 -12.292 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.116 -2.355 -12.430 1.00 0.00 C ATOM 1350 C ALA A 90 -4.718 -1.195 -11.515 1.00 0.00 C ATOM 1351 O ALA A 90 -4.683 -0.041 -11.945 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.551 -2.777 -12.165 1.00 0.00 C ATOM 0 H ALA A 90 -4.682 -4.353 -11.998 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.034 -1.997 -13.456 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.209 -1.915 -12.272 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.842 -3.547 -12.880 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.633 -3.173 -11.153 1.00 0.00 H new ATOM 1358 N SER A 91 -4.413 -1.505 -10.256 1.00 0.00 N ATOM 1359 CA SER A 91 -4.015 -0.483 -9.289 1.00 0.00 C ATOM 1360 C SER A 91 -2.712 0.191 -9.697 1.00 0.00 C ATOM 1361 O SER A 91 -2.521 1.389 -9.470 1.00 0.00 O ATOM 1362 CB SER A 91 -3.859 -1.099 -7.899 1.00 0.00 C ATOM 1363 OG SER A 91 -3.935 -2.513 -7.955 1.00 0.00 O ATOM 0 H SER A 91 -4.434 -2.454 -9.882 1.00 0.00 H new ATOM 0 HA SER A 91 -4.800 0.272 -9.266 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.902 -0.800 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.637 -0.716 -7.239 1.00 0.00 H new ATOM 0 HG SER A 91 -3.831 -2.882 -7.053 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.818 -0.579 -10.295 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.544 -0.030 -10.717 1.00 0.00 C ATOM 1371 C VAL A 92 -0.699 0.798 -11.970 1.00 0.00 C ATOM 1372 O VAL A 92 -0.257 1.931 -12.005 1.00 0.00 O ATOM 1373 CB VAL A 92 0.540 -1.093 -10.962 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.737 -0.456 -11.669 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.964 -1.738 -9.651 1.00 0.00 C ATOM 0 H VAL A 92 -1.949 -1.570 -10.496 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.214 0.592 -9.885 1.00 0.00 H new ATOM 0 HB VAL A 92 0.132 -1.876 -11.601 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.503 -1.212 -11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.416 -0.041 -12.624 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.146 0.340 -11.046 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.731 -2.487 -9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.363 -0.975 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.102 -2.215 -9.184 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.325 0.236 -12.996 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.520 0.954 -14.229 1.00 0.00 C ATOM 1387 C ASN A 93 -2.026 2.356 -13.939 1.00 0.00 C ATOM 1388 O ASN A 93 -1.619 3.329 -14.578 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.477 0.195 -15.130 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.628 1.045 -15.635 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.437 1.957 -16.440 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.832 0.748 -15.162 1.00 0.00 N ATOM 0 H ASN A 93 -1.702 -0.712 -12.990 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.567 1.041 -14.751 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.925 -0.201 -15.983 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.878 -0.660 -14.585 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.645 1.284 -15.464 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.944 -0.016 -14.496 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.895 2.448 -12.941 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.439 3.725 -12.532 1.00 0.00 C ATOM 1401 C CYS A 94 -2.327 4.621 -12.007 1.00 0.00 C ATOM 1402 O CYS A 94 -2.188 5.766 -12.437 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.508 3.539 -11.457 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.597 4.982 -11.260 1.00 0.00 S ATOM 0 H CYS A 94 -3.235 1.651 -12.403 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.900 4.196 -13.400 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.114 2.668 -11.705 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.022 3.328 -10.505 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.533 4.094 -11.075 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.436 4.868 -10.506 1.00 0.00 C ATOM 1411 C ALA A 95 0.654 5.092 -11.539 1.00 0.00 C ATOM 1412 O ALA A 95 1.304 6.127 -11.540 1.00 0.00 O ATOM 1413 CB ALA A 95 0.129 4.206 -9.273 1.00 0.00 C ATOM 0 H ALA A 95 -1.628 3.149 -10.704 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.837 5.837 -10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.944 4.811 -8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.653 4.112 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.504 3.216 -9.531 1.00 0.00 H new ATOM 1419 N LYS A 96 0.835 4.124 -12.433 1.00 0.00 N ATOM 1420 CA LYS A 96 1.824 4.250 -13.485 1.00 0.00 C ATOM 1421 C LYS A 96 1.581 5.588 -14.168 1.00 0.00 C ATOM 1422 O LYS A 96 2.502 6.335 -14.506 1.00 0.00 O ATOM 1423 CB LYS A 96 1.686 3.108 -14.494 1.00 0.00 C ATOM 1424 CG LYS A 96 2.989 2.752 -15.191 1.00 0.00 C ATOM 1425 CD LYS A 96 2.739 2.111 -16.547 1.00 0.00 C ATOM 1426 CE LYS A 96 2.592 0.603 -16.432 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.821 0.031 -17.570 1.00 0.00 N ATOM 0 H LYS A 96 0.310 3.250 -12.446 1.00 0.00 H new ATOM 0 HA LYS A 96 2.831 4.200 -13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.305 2.225 -13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.946 3.385 -15.245 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.592 3.651 -15.318 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.563 2.069 -14.565 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.836 2.533 -16.989 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.564 2.347 -17.220 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.580 0.144 -16.396 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.092 0.358 -15.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.743 -1.000 -17.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.869 0.450 -17.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.311 0.243 -18.463 1.00 0.00 H new ATOM 1441 N LYS A 97 0.292 5.883 -14.300 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.169 7.132 -14.879 1.00 0.00 C ATOM 1443 C LYS A 97 -0.069 8.246 -13.844 1.00 0.00 C ATOM 1444 O LYS A 97 0.216 9.396 -14.179 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.612 6.996 -15.370 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.881 7.723 -16.677 1.00 0.00 C ATOM 1447 CD LYS A 97 -1.649 6.817 -17.875 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.258 7.401 -19.141 1.00 0.00 C ATOM 1449 NZ LYS A 97 -1.644 8.708 -19.501 1.00 0.00 N ATOM 0 H LYS A 97 -0.460 5.260 -14.007 1.00 0.00 H new ATOM 0 HA LYS A 97 0.462 7.378 -15.733 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.846 5.939 -15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.285 7.381 -14.604 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.909 8.087 -16.688 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.233 8.597 -16.749 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.579 6.669 -18.019 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.083 5.836 -17.680 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.126 6.699 -19.964 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.331 7.530 -19.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.013 9.023 -20.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.878 9.414 -18.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.611 8.602 -19.560 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.291 7.892 -12.575 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.211 8.862 -11.492 1.00 0.00 C ATOM 1465 C ILE A 98 1.192 9.461 -11.410 1.00 0.00 C ATOM 1466 O ILE A 98 1.357 10.675 -11.329 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.604 8.250 -10.132 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.074 7.817 -10.154 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.370 9.257 -9.013 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.508 7.072 -8.909 1.00 0.00 C ATOM 0 H ILE A 98 -0.526 6.945 -12.279 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.927 9.652 -11.718 1.00 0.00 H new ATOM 0 HB ILE A 98 0.018 7.374 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.702 8.700 -10.276 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.244 7.183 -11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.651 8.812 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.684 9.534 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.975 10.146 -9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.559 6.798 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.906 6.170 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.371 7.711 -8.036 1.00 0.00 H new ATOM 1482 N VAL A 99 2.194 8.589 -11.429 1.00 0.00 N ATOM 1483 CA VAL A 99 3.589 9.005 -11.359 1.00 0.00 C ATOM 1484 C VAL A 99 4.071 9.572 -12.694 1.00 0.00 C ATOM 1485 O VAL A 99 5.040 10.330 -12.737 1.00 0.00 O ATOM 1486 CB VAL A 99 4.499 7.829 -10.953 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.568 6.791 -12.061 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.890 8.328 -10.593 1.00 0.00 C ATOM 0 H VAL A 99 2.063 7.579 -11.493 1.00 0.00 H new ATOM 0 HA VAL A 99 3.648 9.786 -10.601 1.00 0.00 H new ATOM 0 HB VAL A 99 4.068 7.353 -10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.216 5.971 -11.751 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.568 6.407 -12.263 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.970 7.249 -12.965 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.517 7.483 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.329 8.833 -11.453 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.822 9.026 -9.758 1.00 0.00 H new ATOM 1498 N SER A 100 3.391 9.210 -13.782 1.00 0.00 N ATOM 1499 CA SER A 100 3.762 9.700 -15.107 1.00 0.00 C ATOM 1500 C SER A 100 3.015 10.988 -15.447 1.00 0.00 C ATOM 1501 O SER A 100 3.252 11.598 -16.489 1.00 0.00 O ATOM 1502 CB SER A 100 3.474 8.636 -16.168 1.00 0.00 C ATOM 1503 OG SER A 100 4.169 8.914 -17.371 1.00 0.00 O ATOM 0 H SER A 100 2.586 8.584 -13.772 1.00 0.00 H new ATOM 0 HA SER A 100 4.830 9.915 -15.097 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.767 7.655 -15.793 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.403 8.595 -16.365 1.00 0.00 H new ATOM 0 HG SER A 100 4.087 9.867 -17.584 1.00 0.00 H new ATOM 1509 N ASP A 101 2.111 11.394 -14.560 1.00 0.00 N ATOM 1510 CA ASP A 101 1.328 12.610 -14.771 1.00 0.00 C ATOM 1511 C ASP A 101 1.353 13.512 -13.540 1.00 0.00 C ATOM 1512 O ASP A 101 0.950 14.674 -13.605 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.117 12.257 -15.125 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.409 12.429 -16.603 1.00 0.00 C ATOM 1515 OD1 ASP A 101 0.407 11.964 -17.427 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.452 13.031 -16.936 1.00 0.00 O ATOM 0 H ASP A 101 1.902 10.902 -13.691 1.00 0.00 H new ATOM 0 HA ASP A 101 1.781 13.154 -15.600 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.317 11.225 -14.836 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.794 12.887 -14.548 1.00 0.00 H new ATOM 1521 N GLY A 102 1.818 12.972 -12.418 1.00 0.00 N ATOM 1522 CA GLY A 102 1.872 13.747 -11.193 1.00 0.00 C ATOM 1523 C GLY A 102 3.185 13.588 -10.450 1.00 0.00 C ATOM 1524 O GLY A 102 4.256 13.818 -11.012 1.00 0.00 O ATOM 0 H GLY A 102 2.158 12.014 -12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.719 14.800 -11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.053 13.444 -10.541 1.00 0.00 H new ATOM 1528 N ASN A 103 3.098 13.201 -9.180 1.00 0.00 N ATOM 1529 CA ASN A 103 4.285 13.018 -8.352 1.00 0.00 C ATOM 1530 C ASN A 103 4.587 11.538 -8.141 1.00 0.00 C ATOM 1531 O ASN A 103 3.694 10.694 -8.217 1.00 0.00 O ATOM 1532 CB ASN A 103 4.100 13.710 -7.001 1.00 0.00 C ATOM 1533 CG ASN A 103 4.520 15.166 -7.034 1.00 0.00 C ATOM 1534 OD1 ASN A 103 5.627 15.515 -6.625 1.00 0.00 O ATOM 1535 ND2 ASN A 103 3.635 16.026 -7.524 1.00 0.00 N ATOM 0 H ASN A 103 2.217 13.008 -8.703 1.00 0.00 H new ATOM 0 HA ASN A 103 5.130 13.468 -8.873 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.054 13.643 -6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 103 4.682 13.184 -6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.862 17.019 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.728 15.693 -7.852 1.00 0.00 H new ATOM 1542 N GLY A 104 5.854 11.234 -7.881 1.00 0.00 N ATOM 1543 CA GLY A 104 6.265 9.859 -7.667 1.00 0.00 C ATOM 1544 C GLY A 104 5.721 9.270 -6.381 1.00 0.00 C ATOM 1545 O GLY A 104 4.512 9.115 -6.224 1.00 0.00 O ATOM 0 H GLY A 104 6.607 11.919 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.931 9.251 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.354 9.810 -7.650 1.00 0.00 H new ATOM 1549 N MET A 105 6.620 8.952 -5.457 1.00 0.00 N ATOM 1550 CA MET A 105 6.241 8.385 -4.174 1.00 0.00 C ATOM 1551 C MET A 105 5.906 9.492 -3.196 1.00 0.00 C ATOM 1552 O MET A 105 5.787 9.262 -1.993 1.00 0.00 O ATOM 1553 CB MET A 105 7.383 7.536 -3.611 1.00 0.00 C ATOM 1554 CG MET A 105 8.265 6.908 -4.676 1.00 0.00 C ATOM 1555 SD MET A 105 7.333 5.916 -5.855 1.00 0.00 S ATOM 1556 CE MET A 105 6.246 5.031 -4.746 1.00 0.00 C ATOM 0 H MET A 105 7.625 9.080 -5.577 1.00 0.00 H new ATOM 0 HA MET A 105 5.365 7.753 -4.320 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.000 8.158 -2.963 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.963 6.746 -2.989 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.798 7.694 -5.210 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.018 6.282 -4.196 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.018 4.051 -5.165 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.734 4.908 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.322 5.594 -4.617 1.00 0.00 H new ATOM 1566 N ASN A 106 5.763 10.700 -3.722 1.00 0.00 N ATOM 1567 CA ASN A 106 5.452 11.854 -2.902 1.00 0.00 C ATOM 1568 C ASN A 106 3.947 12.057 -2.810 1.00 0.00 C ATOM 1569 O ASN A 106 3.436 12.533 -1.795 1.00 0.00 O ATOM 1570 CB ASN A 106 6.119 13.095 -3.493 1.00 0.00 C ATOM 1571 CG ASN A 106 7.394 12.763 -4.243 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.439 12.826 -5.471 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.439 12.407 -3.507 1.00 0.00 N ATOM 0 H ASN A 106 5.858 10.903 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 106 5.834 11.685 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.422 13.592 -4.168 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.344 13.799 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.324 12.172 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.358 12.368 -2.491 1.00 0.00 H new ATOM 1580 N ALA A 107 3.238 11.693 -3.877 1.00 0.00 N ATOM 1581 CA ALA A 107 1.788 11.835 -3.913 1.00 0.00 C ATOM 1582 C ALA A 107 1.142 11.097 -2.746 1.00 0.00 C ATOM 1583 O ALA A 107 0.253 11.625 -2.077 1.00 0.00 O ATOM 1584 CB ALA A 107 1.238 11.323 -5.235 1.00 0.00 C ATOM 0 H ALA A 107 3.645 11.299 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 107 1.546 12.894 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.154 11.436 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.671 11.895 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.494 10.270 -5.352 1.00 0.00 H new ATOM 1590 N TRP A 108 1.598 9.872 -2.510 1.00 0.00 N ATOM 1591 CA TRP A 108 1.069 9.057 -1.427 1.00 0.00 C ATOM 1592 C TRP A 108 1.683 9.483 -0.093 1.00 0.00 C ATOM 1593 O TRP A 108 2.888 9.714 0.008 1.00 0.00 O ATOM 1594 CB TRP A 108 1.321 7.577 -1.716 1.00 0.00 C ATOM 1595 CG TRP A 108 0.615 7.106 -2.957 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.688 6.711 -3.058 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.169 6.996 -4.273 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.977 6.360 -4.356 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.147 6.526 -5.122 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.431 7.248 -4.818 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.351 6.305 -6.486 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.630 7.028 -6.167 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.596 6.563 -6.987 1.00 0.00 C ATOM 0 H TRP A 108 2.333 9.423 -3.056 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.008 9.207 -1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.392 7.408 -1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.990 6.982 -0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.390 6.679 -2.238 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.881 6.030 -4.694 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.236 7.608 -4.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.445 5.944 -7.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.602 7.219 -6.597 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.786 6.405 -8.038 1.00 0.00 H new ATOM 1614 N VAL A 109 0.825 9.631 0.911 1.00 0.00 N ATOM 1615 CA VAL A 109 1.239 10.086 2.241 1.00 0.00 C ATOM 1616 C VAL A 109 1.921 9.015 3.083 1.00 0.00 C ATOM 1617 O VAL A 109 2.643 9.341 4.026 1.00 0.00 O ATOM 1618 CB VAL A 109 0.047 10.603 3.035 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.456 11.771 3.920 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.106 10.989 2.121 1.00 0.00 C ATOM 0 H VAL A 109 -0.174 9.441 0.830 1.00 0.00 H new ATOM 0 HA VAL A 109 1.964 10.877 2.046 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.302 9.794 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.410 12.125 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.229 11.446 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.843 12.579 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.940 11.354 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.781 11.773 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.424 10.117 1.549 1.00 0.00 H new ATOM 1630 N ALA A 110 1.707 7.751 2.762 1.00 0.00 N ATOM 1631 CA ALA A 110 2.329 6.672 3.527 1.00 0.00 C ATOM 1632 C ALA A 110 3.823 6.613 3.258 1.00 0.00 C ATOM 1633 O ALA A 110 4.602 6.180 4.106 1.00 0.00 O ATOM 1634 CB ALA A 110 1.672 5.340 3.206 1.00 0.00 C ATOM 0 H ALA A 110 1.117 7.444 1.989 1.00 0.00 H new ATOM 0 HA ALA A 110 2.183 6.878 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.149 4.550 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.613 5.386 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.782 5.127 2.143 1.00 0.00 H new ATOM 1640 N TRP A 111 4.216 7.073 2.081 1.00 0.00 N ATOM 1641 CA TRP A 111 5.622 7.092 1.716 1.00 0.00 C ATOM 1642 C TRP A 111 6.274 8.356 2.257 1.00 0.00 C ATOM 1643 O TRP A 111 7.431 8.337 2.671 1.00 0.00 O ATOM 1644 CB TRP A 111 5.800 6.991 0.198 1.00 0.00 C ATOM 1645 CG TRP A 111 7.236 6.920 -0.235 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.928 5.797 -0.590 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.156 8.014 -0.365 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.218 6.124 -0.931 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.383 7.478 -0.802 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.062 9.394 -0.156 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.503 8.273 -1.033 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.176 10.181 -0.385 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.381 9.619 -0.821 1.00 0.00 C ATOM 0 H TRP A 111 3.585 7.436 1.366 1.00 0.00 H new ATOM 0 HA TRP A 111 6.110 6.224 2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.276 6.106 -0.163 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.329 7.854 -0.273 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.520 4.797 -0.601 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.937 5.465 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.136 9.837 0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.435 7.842 -1.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 9.115 11.247 -0.225 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.232 10.261 -0.994 1.00 0.00 H new ATOM 1664 N ARG A 112 5.523 9.457 2.277 1.00 0.00 N ATOM 1665 CA ARG A 112 6.032 10.719 2.798 1.00 0.00 C ATOM 1666 C ARG A 112 5.690 10.869 4.276 1.00 0.00 C ATOM 1667 O ARG A 112 5.248 11.930 4.718 1.00 0.00 O ATOM 1668 CB ARG A 112 5.437 11.881 2.021 1.00 0.00 C ATOM 1669 CG ARG A 112 6.331 12.397 0.906 1.00 0.00 C ATOM 1670 CD ARG A 112 6.378 13.916 0.886 1.00 0.00 C ATOM 1671 NE ARG A 112 6.663 14.473 2.206 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.667 15.776 2.472 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.402 16.653 1.513 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.936 16.202 3.699 1.00 0.00 N ATOM 0 H ARG A 112 4.562 9.497 1.938 1.00 0.00 H new ATOM 0 HA ARG A 112 7.116 10.722 2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.483 11.570 1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.226 12.697 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.339 12.003 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.966 12.031 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.141 14.246 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.424 14.303 0.527 1.00 0.00 H new ATOM 0 HE ARG A 112 6.871 13.826 2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 112 6.194 16.329 0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.406 17.652 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.140 15.530 4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.939 17.201 3.903 1.00 0.00 H new ATOM 1688 N ASN A 113 5.905 9.809 5.033 1.00 0.00 N ATOM 1689 CA ASN A 113 5.629 9.825 6.463 1.00 0.00 C ATOM 1690 C ASN A 113 6.572 8.893 7.205 1.00 0.00 C ATOM 1691 O ASN A 113 7.369 9.326 8.039 1.00 0.00 O ATOM 1692 CB ASN A 113 4.178 9.421 6.730 1.00 0.00 C ATOM 1693 CG ASN A 113 3.304 10.606 7.092 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.773 11.584 7.675 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.024 10.524 6.749 1.00 0.00 N ATOM 0 H ASN A 113 6.271 8.923 4.683 1.00 0.00 H new ATOM 0 HA ASN A 113 5.787 10.840 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.772 8.931 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.150 8.692 7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.387 11.290 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.677 9.695 6.267 1.00 0.00 H new ATOM 1702 N ARG A 114 6.466 7.610 6.900 1.00 0.00 N ATOM 1703 CA ARG A 114 7.296 6.601 7.538 1.00 0.00 C ATOM 1704 C ARG A 114 8.340 6.040 6.579 1.00 0.00 C ATOM 1705 O ARG A 114 9.058 5.098 6.916 1.00 0.00 O ATOM 1706 CB ARG A 114 6.420 5.469 8.063 1.00 0.00 C ATOM 1707 CG ARG A 114 5.956 5.666 9.498 1.00 0.00 C ATOM 1708 CD ARG A 114 7.122 5.622 10.473 1.00 0.00 C ATOM 1709 NE ARG A 114 7.191 4.349 11.187 1.00 0.00 N ATOM 1710 CZ ARG A 114 7.944 4.148 12.264 1.00 0.00 C ATOM 1711 NH1 ARG A 114 8.690 5.132 12.751 1.00 0.00 N ATOM 1712 NH2 ARG A 114 7.952 2.962 12.857 1.00 0.00 N ATOM 0 H ARG A 114 5.810 7.241 6.211 1.00 0.00 H new ATOM 0 HA ARG A 114 7.823 7.077 8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.546 5.370 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.974 4.533 7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.442 6.623 9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.234 4.891 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.054 5.785 9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.025 6.436 11.192 1.00 0.00 H new ATOM 0 HE ARG A 114 6.630 3.571 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.687 6.046 12.299 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.266 4.974 13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.380 2.203 12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.530 2.809 13.683 1.00 0.00 H new ATOM 1726 N CYS A 115 8.418 6.610 5.382 1.00 0.00 N ATOM 1727 CA CYS A 115 9.374 6.142 4.387 1.00 0.00 C ATOM 1728 C CYS A 115 10.429 7.197 4.071 1.00 0.00 C ATOM 1729 O CYS A 115 11.624 6.904 4.077 1.00 0.00 O ATOM 1730 CB CYS A 115 8.652 5.736 3.105 1.00 0.00 C ATOM 1731 SG CYS A 115 9.563 4.521 2.105 1.00 0.00 S ATOM 0 H CYS A 115 7.836 7.391 5.079 1.00 0.00 H new ATOM 0 HA CYS A 115 9.882 5.275 4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.677 5.323 3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.471 6.626 2.503 1.00 0.00 H new ATOM 1736 N LYS A 116 9.984 8.417 3.783 1.00 0.00 N ATOM 1737 CA LYS A 116 10.898 9.505 3.453 1.00 0.00 C ATOM 1738 C LYS A 116 11.979 9.662 4.516 1.00 0.00 C ATOM 1739 O LYS A 116 11.754 10.279 5.558 1.00 0.00 O ATOM 1740 CB LYS A 116 10.126 10.817 3.298 1.00 0.00 C ATOM 1741 CG LYS A 116 10.823 11.831 2.407 1.00 0.00 C ATOM 1742 CD LYS A 116 10.746 13.232 2.991 1.00 0.00 C ATOM 1743 CE LYS A 116 12.090 13.938 2.926 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.824 13.854 4.219 1.00 0.00 N ATOM 0 H LYS A 116 8.998 8.676 3.772 1.00 0.00 H new ATOM 0 HA LYS A 116 11.383 9.258 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.140 10.602 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.972 11.257 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.867 11.546 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.366 11.823 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.002 13.814 2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.412 13.177 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.695 13.494 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.938 14.985 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.735 14.347 4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.258 14.300 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.992 12.856 4.459 1.00 0.00 H new ATOM 1758 N GLY A 117 13.154 9.103 4.243 1.00 0.00 N ATOM 1759 CA GLY A 117 14.253 9.197 5.183 1.00 0.00 C ATOM 1760 C GLY A 117 14.744 7.842 5.656 1.00 0.00 C ATOM 1761 O GLY A 117 15.512 7.760 6.614 1.00 0.00 O ATOM 0 H GLY A 117 13.363 8.587 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.079 9.734 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.938 9.785 6.045 1.00 0.00 H new ATOM 1765 N THR A 118 14.308 6.777 4.988 1.00 0.00 N ATOM 1766 CA THR A 118 14.718 5.426 5.355 1.00 0.00 C ATOM 1767 C THR A 118 15.464 4.756 4.204 1.00 0.00 C ATOM 1768 O THR A 118 16.158 5.423 3.436 1.00 0.00 O ATOM 1769 CB THR A 118 13.504 4.562 5.751 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.656 4.359 4.615 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.713 5.220 6.870 1.00 0.00 C ATOM 0 H THR A 118 13.672 6.824 4.192 1.00 0.00 H new ATOM 0 HA THR A 118 15.383 5.510 6.214 1.00 0.00 H new ATOM 0 HB THR A 118 13.872 3.599 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.271 5.216 4.336 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.862 4.592 7.132 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.353 5.346 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.356 6.195 6.539 1.00 0.00 H new ATOM 1779 N ASP A 119 15.323 3.436 4.085 1.00 0.00 N ATOM 1780 CA ASP A 119 15.994 2.695 3.024 1.00 0.00 C ATOM 1781 C ASP A 119 15.078 1.653 2.391 1.00 0.00 C ATOM 1782 O ASP A 119 14.892 0.562 2.930 1.00 0.00 O ATOM 1783 CB ASP A 119 17.237 2.029 3.557 1.00 0.00 C ATOM 1784 CG ASP A 119 18.318 1.883 2.503 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.068 1.201 1.487 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.414 2.452 2.693 1.00 0.00 O ATOM 0 H ASP A 119 14.753 2.863 4.707 1.00 0.00 H new ATOM 0 HA ASP A 119 16.269 3.412 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.626 2.610 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.979 1.044 3.946 1.00 0.00 H new ATOM 1791 N VAL A 120 14.520 1.998 1.236 1.00 0.00 N ATOM 1792 CA VAL A 120 13.633 1.103 0.509 1.00 0.00 C ATOM 1793 C VAL A 120 14.426 -0.035 -0.115 1.00 0.00 C ATOM 1794 O VAL A 120 13.934 -1.157 -0.233 1.00 0.00 O ATOM 1795 CB VAL A 120 12.862 1.848 -0.598 1.00 0.00 C ATOM 1796 CG1 VAL A 120 11.843 2.801 0.009 1.00 0.00 C ATOM 1797 CG2 VAL A 120 13.823 2.595 -1.511 1.00 0.00 C ATOM 0 H VAL A 120 14.669 2.899 0.782 1.00 0.00 H new ATOM 0 HA VAL A 120 12.915 0.704 1.225 1.00 0.00 H new ATOM 0 HB VAL A 120 12.326 1.113 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.308 3.318 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.134 2.237 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.356 3.531 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.259 3.114 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.390 3.320 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.509 1.886 -1.975 1.00 0.00 H new ATOM 1807 N GLN A 121 15.668 0.259 -0.496 1.00 0.00 N ATOM 1808 CA GLN A 121 16.537 -0.748 -1.083 1.00 0.00 C ATOM 1809 C GLN A 121 16.733 -1.882 -0.090 1.00 0.00 C ATOM 1810 O GLN A 121 17.058 -3.009 -0.463 1.00 0.00 O ATOM 1811 CB GLN A 121 17.888 -0.138 -1.463 1.00 0.00 C ATOM 1812 CG GLN A 121 18.227 -0.279 -2.938 1.00 0.00 C ATOM 1813 CD GLN A 121 19.239 0.747 -3.404 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.067 1.948 -3.190 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.303 0.280 -4.047 1.00 0.00 N ATOM 0 H GLN A 121 16.090 1.183 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 121 16.073 -1.135 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 121 17.887 0.919 -1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.671 -0.613 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.618 -1.279 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.316 -0.179 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.405 -0.723 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.018 0.924 -4.385 1.00 0.00 H new ATOM 1824 N ALA A 122 16.510 -1.566 1.182 1.00 0.00 N ATOM 1825 CA ALA A 122 16.633 -2.542 2.251 1.00 0.00 C ATOM 1826 C ALA A 122 15.301 -3.243 2.480 1.00 0.00 C ATOM 1827 O ALA A 122 15.257 -4.359 2.998 1.00 0.00 O ATOM 1828 CB ALA A 122 17.109 -1.870 3.531 1.00 0.00 C ATOM 0 H ALA A 122 16.241 -0.633 1.496 1.00 0.00 H new ATOM 0 HA ALA A 122 17.372 -3.288 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.196 -2.615 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.081 -1.408 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.391 -1.106 3.829 1.00 0.00 H new ATOM 1834 N TRP A 123 14.213 -2.584 2.079 1.00 0.00 N ATOM 1835 CA TRP A 123 12.878 -3.158 2.232 1.00 0.00 C ATOM 1836 C TRP A 123 12.748 -4.445 1.424 1.00 0.00 C ATOM 1837 O TRP A 123 11.823 -5.230 1.634 1.00 0.00 O ATOM 1838 CB TRP A 123 11.808 -2.157 1.791 1.00 0.00 C ATOM 1839 CG TRP A 123 11.319 -1.273 2.899 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.172 0.081 2.859 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.912 -1.681 4.212 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.701 0.539 4.064 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.534 -0.528 4.909 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.827 -2.908 4.868 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.084 -0.575 6.220 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.381 -2.952 6.169 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.013 -1.789 6.835 1.00 0.00 C ATOM 0 H TRP A 123 14.230 -1.659 1.649 1.00 0.00 H new ATOM 0 HA TRP A 123 12.730 -3.390 3.287 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.212 -1.535 0.992 1.00 0.00 H new ATOM 0 HB3 TRP A 123 10.962 -2.703 1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.394 0.703 2.004 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.507 1.514 4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.109 -3.818 4.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.797 0.327 6.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.316 -3.902 6.679 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.665 -1.848 7.856 1.00 0.00 H new ATOM 1858 N ILE A 124 13.683 -4.655 0.503 1.00 0.00 N ATOM 1859 CA ILE A 124 13.681 -5.848 -0.336 1.00 0.00 C ATOM 1860 C ILE A 124 15.032 -6.554 -0.281 1.00 0.00 C ATOM 1861 O ILE A 124 15.331 -7.412 -1.112 1.00 0.00 O ATOM 1862 CB ILE A 124 13.352 -5.505 -1.803 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.280 -4.402 -2.314 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.895 -5.084 -1.933 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.553 -4.482 -3.800 1.00 0.00 C ATOM 0 H ILE A 124 14.454 -4.013 0.319 1.00 0.00 H new ATOM 0 HA ILE A 124 12.908 -6.510 0.054 1.00 0.00 H new ATOM 0 HB ILE A 124 13.509 -6.394 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.838 -3.432 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.226 -4.456 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.677 -4.845 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.250 -5.899 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.713 -4.206 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.218 -3.669 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.024 -5.437 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.614 -4.397 -4.347 1.00 0.00 H new ATOM 1877 N ARG A 125 15.842 -6.181 0.704 1.00 0.00 N ATOM 1878 CA ARG A 125 17.165 -6.772 0.878 1.00 0.00 C ATOM 1879 C ARG A 125 17.060 -8.254 1.223 1.00 0.00 C ATOM 1880 O ARG A 125 16.726 -8.617 2.351 1.00 0.00 O ATOM 1881 CB ARG A 125 17.935 -6.035 1.974 1.00 0.00 C ATOM 1882 CG ARG A 125 19.417 -6.374 2.009 1.00 0.00 C ATOM 1883 CD ARG A 125 20.198 -5.567 0.984 1.00 0.00 C ATOM 1884 NE ARG A 125 21.261 -4.779 1.602 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.544 -5.126 1.583 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.923 -6.244 0.978 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.449 -4.355 2.168 1.00 0.00 N ATOM 0 H ARG A 125 15.605 -5.470 1.396 1.00 0.00 H new ATOM 0 HA ARG A 125 17.704 -6.675 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.820 -4.961 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.493 -6.275 2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.813 -6.178 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.552 -7.438 1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.630 -6.241 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.518 -4.903 0.451 1.00 0.00 H new ATOM 0 HE ARG A 125 21.004 -3.913 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.229 -6.840 0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.908 -6.508 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.161 -3.494 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.433 -4.622 2.153 1.00 0.00 H new ATOM 1901 N GLY A 126 17.347 -9.106 0.243 1.00 0.00 N ATOM 1902 CA GLY A 126 17.282 -10.540 0.461 1.00 0.00 C ATOM 1903 C GLY A 126 16.091 -11.177 -0.227 1.00 0.00 C ATOM 1904 O GLY A 126 15.920 -12.396 -0.183 1.00 0.00 O ATOM 0 H GLY A 126 17.624 -8.828 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.199 -11.002 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.229 -10.740 1.531 1.00 0.00 H new ATOM 1908 N CYS A 127 15.266 -10.351 -0.860 1.00 0.00 N ATOM 1909 CA CYS A 127 14.084 -10.834 -1.560 1.00 0.00 C ATOM 1910 C CYS A 127 14.459 -11.745 -2.723 1.00 0.00 C ATOM 1911 O CYS A 127 15.219 -11.356 -3.610 1.00 0.00 O ATOM 1912 CB CYS A 127 13.261 -9.662 -2.055 1.00 0.00 C ATOM 1913 SG CYS A 127 11.993 -9.092 -0.879 1.00 0.00 S ATOM 0 H CYS A 127 15.396 -9.340 -0.902 1.00 0.00 H new ATOM 0 HA CYS A 127 13.491 -11.419 -0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.930 -8.832 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.774 -9.943 -2.989 1.00 0.00 H new ATOM 1918 N ARG A 128 13.920 -12.960 -2.711 1.00 0.00 N ATOM 1919 CA ARG A 128 14.196 -13.930 -3.764 1.00 0.00 C ATOM 1920 C ARG A 128 13.298 -13.689 -4.973 1.00 0.00 C ATOM 1921 O ARG A 128 12.157 -14.150 -5.012 1.00 0.00 O ATOM 1922 CB ARG A 128 13.998 -15.353 -3.241 1.00 0.00 C ATOM 1923 CG ARG A 128 14.749 -15.638 -1.951 1.00 0.00 C ATOM 1924 CD ARG A 128 13.797 -15.979 -0.816 1.00 0.00 C ATOM 1925 NE ARG A 128 14.302 -17.073 0.011 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.600 -18.166 0.296 1.00 0.00 C ATOM 1927 NH1 ARG A 128 12.370 -18.311 -0.178 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.129 -19.116 1.054 1.00 0.00 N ATOM 0 H ARG A 128 13.289 -13.296 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 128 15.234 -13.807 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.934 -15.526 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 128 14.323 -16.060 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.442 -16.465 -2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.347 -14.769 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.642 -15.097 -0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.826 -16.254 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 128 15.245 -16.994 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.960 -17.583 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.834 -19.150 0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.075 -19.009 1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.590 -19.954 1.272 1.00 0.00 H new ATOM 1942 N LEU A 129 13.820 -12.964 -5.957 1.00 0.00 N ATOM 1943 CA LEU A 129 13.064 -12.661 -7.167 1.00 0.00 C ATOM 1944 C LEU A 129 14.000 -12.351 -8.330 1.00 0.00 C ATOM 1945 O LEU A 129 13.496 -12.116 -9.449 1.00 0.00 O ATOM 1946 CB LEU A 129 12.122 -11.480 -6.922 1.00 0.00 C ATOM 1947 CG LEU A 129 12.813 -10.129 -6.727 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.613 -9.247 -7.949 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.288 -9.438 -5.478 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.231 -12.342 -8.113 1.00 0.00 O ATOM 0 H LEU A 129 14.763 -12.576 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 129 12.473 -13.539 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.436 -11.401 -7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.519 -11.693 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 129 13.881 -10.303 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.111 -8.290 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.037 -9.738 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.547 -9.080 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.790 -8.479 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.215 -9.276 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.482 -10.064 -4.607 1.00 0.00 H new TER 1962 LEU A 129