USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1000 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 28 THR OG1 : rot 180:sc= 0.0473 USER MOD Set 1.2: A 47 THR OG1 : rot -78:sc= 0.209 USER MOD Set 2.1: A 44 GLN : amide:sc= -6.25! C(o=-7.1!,f=-7.5!) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.876 K(o=-7.1,f=-11!) USER MOD Set 3.1: A 17 THR OG1 : rot 39:sc= 0.525 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 14 MET CE :methyl -171:sc= -1.74 (180deg=-1.98) USER MOD Set 4.2: A 30 LYS NZ :NH3+ 165:sc= -0.0414 (180deg=-0.29) USER MOD Single : A 0 MET CE :methyl -164:sc= -0.0417 (180deg=-0.361) USER MOD Single : A 0 MET N :NH3+ -166:sc= -0.0251 (180deg=-0.42) USER MOD Single : A 1 ASN : amide:sc= -10.3! K(o=-10!,f=-4.3) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0679 (180deg=-0.42) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00433 USER MOD Single : A 27 THR OG1 : rot 160:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 37 TYR OH : rot 30:sc= -2.16! USER MOD Single : A 40 SER OG : rot -33:sc= -1.06 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 45 THR OG1 : rot -150:sc= -0.0824 USER MOD Single : A 49 ASN : amide:sc= -14.2! C(o=-14!,f=-10!) USER MOD Single : A 50 SER OG : rot -59:sc= 0.279 USER MOD Single : A 56 TYR OH : rot 2:sc= 0.123 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 171:sc= 1.27 USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.689 (180deg=-1.97) USER MOD Single : A 67 HIS : no HD1:sc= -2.67! K(o=-2.7!,f=-1) USER MOD Single : A 73 ASN : amide:sc= -0.782 K(o=-0.78,f=-0.015) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= -2.35! (180deg=-3.15!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 22:sc= 0.175 USER MOD Single : A 86 SER OG : rot -6:sc= 0.828 USER MOD Single : A 87 GLN : amide:sc= -2.89! C(o=-2.9!,f=-2.9!) USER MOD Single : A 91 SER OG : rot -73:sc= -0.857 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 140:sc= 1.05 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc=-0.00876 X(o=-0.0088,f=-0.33) USER MOD Single : A 121 GLN : amide:sc= -0.956 K(o=-0.96,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0736 X(o=-0.074,f=-0.0085) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 35.355 -1.168 -3.379 1.00 0.00 N ATOM 2 CA MET A 0 34.392 -2.022 -4.119 1.00 0.00 C ATOM 3 C MET A 0 33.013 -1.370 -4.171 1.00 0.00 C ATOM 4 O MET A 0 32.517 -1.031 -5.245 1.00 0.00 O ATOM 5 CB MET A 0 34.291 -3.398 -3.456 1.00 0.00 C ATOM 6 CG MET A 0 35.638 -4.070 -3.239 1.00 0.00 C ATOM 7 SD MET A 0 36.532 -4.358 -4.778 1.00 0.00 S ATOM 8 CE MET A 0 35.469 -5.562 -5.569 1.00 0.00 C ATOM 0 H1 MET A 0 36.323 -1.504 -3.555 1.00 0.00 H new ATOM 0 H2 MET A 0 35.266 -0.184 -3.702 1.00 0.00 H new ATOM 0 H3 MET A 0 35.151 -1.217 -2.360 1.00 0.00 H new ATOM 0 HA MET A 0 34.757 -2.140 -5.139 1.00 0.00 H new ATOM 0 HB2 MET A 0 33.788 -3.293 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 0 33.667 -4.044 -4.073 1.00 0.00 H new ATOM 0 HG2 MET A 0 36.247 -3.449 -2.581 1.00 0.00 H new ATOM 0 HG3 MET A 0 35.486 -5.021 -2.729 1.00 0.00 H new ATOM 0 HE1 MET A 0 36.011 -6.048 -6.380 1.00 0.00 H new ATOM 0 HE2 MET A 0 35.161 -6.310 -4.839 1.00 0.00 H new ATOM 0 HE3 MET A 0 34.588 -5.061 -5.970 1.00 0.00 H new ATOM 20 N ASN A 1 32.403 -1.198 -2.999 1.00 0.00 N ATOM 21 CA ASN A 1 31.080 -0.584 -2.894 1.00 0.00 C ATOM 22 C ASN A 1 30.018 -1.417 -3.606 1.00 0.00 C ATOM 23 O ASN A 1 30.327 -2.212 -4.495 1.00 0.00 O ATOM 24 CB ASN A 1 31.098 0.837 -3.460 1.00 0.00 C ATOM 25 CG ASN A 1 31.449 1.868 -2.408 1.00 0.00 C ATOM 26 OD1 ASN A 1 32.615 2.221 -2.230 1.00 0.00 O ATOM 27 ND2 ASN A 1 30.436 2.352 -1.702 1.00 0.00 N ATOM 0 H ASN A 1 32.806 -1.477 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 1 30.823 -0.541 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.819 0.892 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.121 1.070 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 1 30.607 3.047 -0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.486 2.029 -1.886 1.00 0.00 H new ATOM 34 N CYS A 2 28.763 -1.233 -3.205 1.00 0.00 N ATOM 35 CA CYS A 2 27.657 -1.970 -3.804 1.00 0.00 C ATOM 36 C CYS A 2 27.087 -1.244 -5.017 1.00 0.00 C ATOM 37 O CYS A 2 26.191 -1.758 -5.685 1.00 0.00 O ATOM 38 CB CYS A 2 26.550 -2.205 -2.775 1.00 0.00 C ATOM 39 SG CYS A 2 26.986 -3.408 -1.480 1.00 0.00 S ATOM 0 H CYS A 2 28.488 -0.582 -2.470 1.00 0.00 H new ATOM 0 HA CYS A 2 28.050 -2.930 -4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.298 -1.255 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.655 -2.551 -3.292 1.00 0.00 H new ATOM 44 N GLY A 3 27.597 -0.050 -5.301 1.00 0.00 N ATOM 45 CA GLY A 3 27.114 0.717 -6.434 1.00 0.00 C ATOM 46 C GLY A 3 25.904 1.559 -6.076 1.00 0.00 C ATOM 47 O GLY A 3 25.226 1.274 -5.088 1.00 0.00 O ATOM 0 H GLY A 3 28.338 0.401 -4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.911 1.365 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.856 0.039 -7.247 1.00 0.00 H new ATOM 51 N PRO A 4 25.607 2.610 -6.861 1.00 0.00 N ATOM 52 CA PRO A 4 24.459 3.485 -6.601 1.00 0.00 C ATOM 53 C PRO A 4 23.174 2.694 -6.389 1.00 0.00 C ATOM 54 O PRO A 4 22.790 1.885 -7.232 1.00 0.00 O ATOM 55 CB PRO A 4 24.369 4.333 -7.868 1.00 0.00 C ATOM 56 CG PRO A 4 25.767 4.374 -8.382 1.00 0.00 C ATOM 57 CD PRO A 4 26.359 3.030 -8.059 1.00 0.00 C ATOM 0 HA PRO A 4 24.584 4.072 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.690 3.890 -8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.995 5.334 -7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.784 4.561 -9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.335 5.176 -7.909 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.232 2.326 -8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.428 3.098 -7.860 1.00 0.00 H new ATOM 65 N PRO A 5 22.493 2.921 -5.252 1.00 0.00 N ATOM 66 CA PRO A 5 21.250 2.220 -4.928 1.00 0.00 C ATOM 67 C PRO A 5 20.238 2.274 -6.067 1.00 0.00 C ATOM 68 O PRO A 5 20.158 3.265 -6.791 1.00 0.00 O ATOM 69 CB PRO A 5 20.721 2.978 -3.709 1.00 0.00 C ATOM 70 CG PRO A 5 21.937 3.554 -3.072 1.00 0.00 C ATOM 71 CD PRO A 5 22.876 3.881 -4.201 1.00 0.00 C ATOM 0 HA PRO A 5 21.418 1.158 -4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.018 3.758 -4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.193 2.313 -3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.691 4.447 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.390 2.844 -2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.758 4.912 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.918 3.759 -3.905 1.00 0.00 H new ATOM 79 N PRO A 6 19.447 1.201 -6.235 1.00 0.00 N ATOM 80 CA PRO A 6 18.431 1.123 -7.278 1.00 0.00 C ATOM 81 C PRO A 6 17.198 1.910 -6.881 1.00 0.00 C ATOM 82 O PRO A 6 17.142 2.535 -5.822 1.00 0.00 O ATOM 83 CB PRO A 6 18.094 -0.376 -7.356 1.00 0.00 C ATOM 84 CG PRO A 6 18.976 -1.064 -6.359 1.00 0.00 C ATOM 85 CD PRO A 6 19.464 -0.010 -5.412 1.00 0.00 C ATOM 0 HA PRO A 6 18.775 1.534 -8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.042 -0.549 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.270 -0.761 -8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.425 -1.838 -5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.813 -1.554 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.814 0.084 -4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.464 -0.232 -5.041 1.00 0.00 H new ATOM 93 N THR A 7 16.211 1.863 -7.765 1.00 0.00 N ATOM 94 CA THR A 7 14.943 2.530 -7.538 1.00 0.00 C ATOM 95 C THR A 7 13.973 1.527 -6.937 1.00 0.00 C ATOM 96 O THR A 7 13.791 0.435 -7.474 1.00 0.00 O ATOM 97 CB THR A 7 14.356 3.118 -8.835 1.00 0.00 C ATOM 98 OG1 THR A 7 15.263 4.077 -9.393 1.00 0.00 O ATOM 99 CG2 THR A 7 13.011 3.780 -8.572 1.00 0.00 C ATOM 0 H THR A 7 16.269 1.364 -8.653 1.00 0.00 H new ATOM 0 HA THR A 7 15.107 3.365 -6.856 1.00 0.00 H new ATOM 0 HB THR A 7 14.209 2.302 -9.542 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.883 4.445 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.618 4.187 -9.503 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.314 3.042 -8.175 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.137 4.585 -7.849 1.00 0.00 H new ATOM 107 N LEU A 8 13.352 1.891 -5.828 1.00 0.00 N ATOM 108 CA LEU A 8 12.414 1.001 -5.169 1.00 0.00 C ATOM 109 C LEU A 8 10.988 1.521 -5.262 1.00 0.00 C ATOM 110 O LEU A 8 10.640 2.533 -4.663 1.00 0.00 O ATOM 111 CB LEU A 8 12.819 0.816 -3.708 1.00 0.00 C ATOM 112 CG LEU A 8 14.242 0.295 -3.508 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.253 1.427 -3.625 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.374 -0.396 -2.160 1.00 0.00 C ATOM 0 H LEU A 8 13.480 2.792 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 8 12.444 0.038 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.719 1.771 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.122 0.124 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 8 14.450 -0.433 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.259 1.033 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.180 1.879 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.045 2.181 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.394 -0.760 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.142 0.312 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.681 -1.236 -2.112 1.00 0.00 H new ATOM 126 N SER A 9 10.172 0.824 -6.037 1.00 0.00 N ATOM 127 CA SER A 9 8.780 1.210 -6.186 1.00 0.00 C ATOM 128 C SER A 9 8.010 0.825 -4.927 1.00 0.00 C ATOM 129 O SER A 9 6.800 1.032 -4.831 1.00 0.00 O ATOM 130 CB SER A 9 8.159 0.544 -7.416 1.00 0.00 C ATOM 131 OG SER A 9 8.827 0.939 -8.603 1.00 0.00 O ATOM 0 H SER A 9 10.447 -0.003 -6.567 1.00 0.00 H new ATOM 0 HA SER A 9 8.726 2.290 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.209 -0.540 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.104 0.810 -7.483 1.00 0.00 H new ATOM 0 HG SER A 9 8.412 0.498 -9.374 1.00 0.00 H new ATOM 137 N PHE A 10 8.738 0.259 -3.965 1.00 0.00 N ATOM 138 CA PHE A 10 8.160 -0.158 -2.693 1.00 0.00 C ATOM 139 C PHE A 10 8.880 0.526 -1.534 1.00 0.00 C ATOM 140 O PHE A 10 9.085 -0.072 -0.478 1.00 0.00 O ATOM 141 CB PHE A 10 8.230 -1.680 -2.544 1.00 0.00 C ATOM 142 CG PHE A 10 9.554 -2.276 -2.933 1.00 0.00 C ATOM 143 CD1 PHE A 10 9.897 -2.429 -4.268 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.454 -2.690 -1.964 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.111 -2.981 -4.628 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.670 -3.245 -2.318 1.00 0.00 C ATOM 147 CZ PHE A 10 11.999 -3.390 -3.652 1.00 0.00 C ATOM 0 H PHE A 10 9.739 0.079 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 10 7.112 0.140 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.016 -1.943 -1.508 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.448 -2.130 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.206 -2.113 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.203 -2.578 -0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.366 -3.093 -5.672 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.362 -3.565 -1.553 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.949 -3.822 -3.931 1.00 0.00 H new ATOM 157 N ALA A 11 9.223 1.798 -1.750 1.00 0.00 N ATOM 158 CA ALA A 11 9.926 2.632 -0.770 1.00 0.00 C ATOM 159 C ALA A 11 10.610 3.787 -1.492 1.00 0.00 C ATOM 160 O ALA A 11 11.028 3.671 -2.640 1.00 0.00 O ATOM 161 CB ALA A 11 10.938 1.832 0.038 1.00 0.00 C ATOM 0 H ALA A 11 9.018 2.285 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 11 9.193 3.021 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.435 2.489 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.425 1.034 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.679 1.399 -0.634 1.00 0.00 H new ATOM 167 N ALA A 12 10.722 4.899 -0.782 1.00 0.00 N ATOM 168 CA ALA A 12 11.378 6.079 -1.331 1.00 0.00 C ATOM 169 C ALA A 12 12.364 6.677 -0.329 1.00 0.00 C ATOM 170 O ALA A 12 12.180 6.545 0.878 1.00 0.00 O ATOM 171 CB ALA A 12 10.339 7.116 -1.734 1.00 0.00 C ATOM 0 H ALA A 12 10.370 5.011 0.169 1.00 0.00 H new ATOM 0 HA ALA A 12 11.939 5.776 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.840 7.993 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.676 6.693 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.756 7.406 -0.860 1.00 0.00 H new ATOM 177 N PRO A 13 13.424 7.348 -0.816 1.00 0.00 N ATOM 178 CA PRO A 13 14.438 7.961 0.053 1.00 0.00 C ATOM 179 C PRO A 13 13.823 8.839 1.140 1.00 0.00 C ATOM 180 O PRO A 13 12.731 9.382 0.970 1.00 0.00 O ATOM 181 CB PRO A 13 15.267 8.808 -0.914 1.00 0.00 C ATOM 182 CG PRO A 13 15.108 8.138 -2.234 1.00 0.00 C ATOM 183 CD PRO A 13 13.717 7.565 -2.245 1.00 0.00 C ATOM 0 HA PRO A 13 15.018 7.212 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.909 9.837 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.314 8.844 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.244 8.847 -3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.854 7.354 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.004 8.251 -2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.671 6.634 -2.810 1.00 0.00 H new ATOM 191 N MET A 14 14.535 8.975 2.256 1.00 0.00 N ATOM 192 CA MET A 14 14.061 9.789 3.372 1.00 0.00 C ATOM 193 C MET A 14 15.225 10.292 4.220 1.00 0.00 C ATOM 194 O MET A 14 15.085 11.253 4.978 1.00 0.00 O ATOM 195 CB MET A 14 13.082 8.988 4.237 1.00 0.00 C ATOM 196 CG MET A 14 12.572 9.750 5.451 1.00 0.00 C ATOM 197 SD MET A 14 11.184 8.931 6.261 1.00 0.00 S ATOM 198 CE MET A 14 11.923 7.363 6.712 1.00 0.00 C ATOM 0 H MET A 14 15.441 8.533 2.411 1.00 0.00 H new ATOM 0 HA MET A 14 13.543 10.655 2.961 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.232 8.688 3.624 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.572 8.074 4.573 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.385 9.869 6.167 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.268 10.751 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.149 6.688 7.077 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.406 6.924 5.839 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.664 7.522 7.495 1.00 0.00 H new ATOM 208 N ASP A 15 16.376 9.644 4.084 1.00 0.00 N ATOM 209 CA ASP A 15 17.566 10.026 4.837 1.00 0.00 C ATOM 210 C ASP A 15 18.826 9.547 4.128 1.00 0.00 C ATOM 211 O ASP A 15 19.472 8.591 4.560 1.00 0.00 O ATOM 212 CB ASP A 15 17.507 9.454 6.254 1.00 0.00 C ATOM 213 CG ASP A 15 18.596 10.010 7.152 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.729 9.487 7.106 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.315 10.970 7.900 1.00 0.00 O ATOM 0 H ASP A 15 16.511 8.850 3.458 1.00 0.00 H new ATOM 0 HA ASP A 15 17.597 11.114 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.533 9.674 6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.598 8.369 6.208 1.00 0.00 H new ATOM 220 N ILE A 16 19.162 10.217 3.034 1.00 0.00 N ATOM 221 CA ILE A 16 20.332 9.871 2.250 1.00 0.00 C ATOM 222 C ILE A 16 20.610 10.927 1.193 1.00 0.00 C ATOM 223 O ILE A 16 20.030 10.898 0.109 1.00 0.00 O ATOM 224 CB ILE A 16 20.149 8.512 1.556 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.268 8.262 0.541 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.782 8.434 0.889 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.204 6.897 -0.112 1.00 0.00 C ATOM 0 H ILE A 16 18.633 11.010 2.670 1.00 0.00 H new ATOM 0 HA ILE A 16 21.175 9.815 2.938 1.00 0.00 H new ATOM 0 HB ILE A 16 20.205 7.730 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.222 9.028 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.231 8.371 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.669 7.465 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.003 8.555 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.694 9.226 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.028 6.793 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.281 6.124 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.257 6.791 -0.641 1.00 0.00 H new ATOM 239 N THR A 17 21.476 11.876 1.515 1.00 0.00 N ATOM 240 CA THR A 17 21.825 12.906 0.555 1.00 0.00 C ATOM 241 C THR A 17 22.294 12.252 -0.731 1.00 0.00 C ATOM 242 O THR A 17 23.333 11.594 -0.760 1.00 0.00 O ATOM 243 CB THR A 17 22.932 13.837 1.074 1.00 0.00 C ATOM 244 OG1 THR A 17 24.075 13.070 1.469 1.00 0.00 O ATOM 245 CG2 THR A 17 22.439 14.669 2.250 1.00 0.00 C ATOM 0 H THR A 17 21.942 11.953 2.419 1.00 0.00 H new ATOM 0 HA THR A 17 20.934 13.510 0.384 1.00 0.00 H new ATOM 0 HB THR A 17 23.212 14.513 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.207 12.331 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.242 15.319 2.598 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.591 15.277 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.131 14.008 3.060 1.00 0.00 H new ATOM 253 N LEU A 18 21.524 12.431 -1.793 1.00 0.00 N ATOM 254 CA LEU A 18 21.856 11.833 -3.068 1.00 0.00 C ATOM 255 C LEU A 18 23.006 12.569 -3.741 1.00 0.00 C ATOM 256 O LEU A 18 23.180 12.500 -4.958 1.00 0.00 O ATOM 257 CB LEU A 18 20.631 11.820 -3.979 1.00 0.00 C ATOM 258 CG LEU A 18 19.812 10.527 -3.949 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.701 9.329 -4.240 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.120 10.363 -2.605 1.00 0.00 C ATOM 0 H LEU A 18 20.668 12.985 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 18 22.175 10.807 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.981 12.650 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.957 12.001 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 18 19.047 10.586 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.103 8.418 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.151 9.441 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.487 9.268 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.543 9.438 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.868 10.325 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.452 11.208 -2.434 1.00 0.00 H new ATOM 272 N THR A 19 23.794 13.263 -2.934 1.00 0.00 N ATOM 273 CA THR A 19 24.935 14.015 -3.432 1.00 0.00 C ATOM 274 C THR A 19 26.084 13.075 -3.765 1.00 0.00 C ATOM 275 O THR A 19 26.932 13.379 -4.604 1.00 0.00 O ATOM 276 CB THR A 19 25.411 15.054 -2.401 1.00 0.00 C ATOM 277 OG1 THR A 19 26.073 14.398 -1.312 1.00 0.00 O ATOM 278 CG2 THR A 19 24.234 15.859 -1.871 1.00 0.00 C ATOM 0 H THR A 19 23.662 13.321 -1.924 1.00 0.00 H new ATOM 0 HA THR A 19 24.617 14.538 -4.334 1.00 0.00 H new ATOM 0 HB THR A 19 26.108 15.732 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.374 15.067 -0.662 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.590 16.588 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.747 16.378 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.520 15.188 -1.393 1.00 0.00 H new ATOM 286 N GLU A 20 26.100 11.928 -3.095 1.00 0.00 N ATOM 287 CA GLU A 20 27.127 10.921 -3.316 1.00 0.00 C ATOM 288 C GLU A 20 26.681 9.948 -4.399 1.00 0.00 C ATOM 289 O GLU A 20 25.696 10.194 -5.097 1.00 0.00 O ATOM 290 CB GLU A 20 27.416 10.162 -2.018 1.00 0.00 C ATOM 291 CG GLU A 20 27.831 11.062 -0.865 1.00 0.00 C ATOM 292 CD GLU A 20 29.170 11.734 -1.101 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.198 12.779 -1.784 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.191 11.214 -0.604 1.00 0.00 O ATOM 0 H GLU A 20 25.408 11.673 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 20 28.040 11.420 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.527 9.602 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.206 9.433 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 27.068 11.825 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.881 10.473 0.051 1.00 0.00 H new ATOM 301 N THR A 21 27.405 8.847 -4.540 1.00 0.00 N ATOM 302 CA THR A 21 27.068 7.843 -5.542 1.00 0.00 C ATOM 303 C THR A 21 27.447 6.447 -5.064 1.00 0.00 C ATOM 304 O THR A 21 26.974 5.446 -5.603 1.00 0.00 O ATOM 305 CB THR A 21 27.774 8.127 -6.882 1.00 0.00 C ATOM 306 OG1 THR A 21 27.882 9.540 -7.090 1.00 0.00 O ATOM 307 CG2 THR A 21 27.009 7.504 -8.038 1.00 0.00 C ATOM 0 H THR A 21 28.226 8.626 -3.977 1.00 0.00 H new ATOM 0 HA THR A 21 25.990 7.893 -5.693 1.00 0.00 H new ATOM 0 HB THR A 21 28.770 7.686 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 21 28.333 9.712 -7.943 1.00 0.00 H new ATOM 0 HG21 THR A 21 27.526 7.718 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 21 26.949 6.425 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 21 26.003 7.922 -8.076 1.00 0.00 H new ATOM 315 N ARG A 22 28.303 6.388 -4.050 1.00 0.00 N ATOM 316 CA ARG A 22 28.751 5.117 -3.497 1.00 0.00 C ATOM 317 C ARG A 22 28.447 5.046 -2.006 1.00 0.00 C ATOM 318 O ARG A 22 28.378 6.072 -1.329 1.00 0.00 O ATOM 319 CB ARG A 22 30.245 4.936 -3.725 1.00 0.00 C ATOM 320 CG ARG A 22 30.653 5.003 -5.188 1.00 0.00 C ATOM 321 CD ARG A 22 32.141 4.740 -5.365 1.00 0.00 C ATOM 322 NE ARG A 22 32.961 5.703 -4.634 1.00 0.00 N ATOM 323 CZ ARG A 22 34.211 5.465 -4.250 1.00 0.00 C ATOM 324 NH1 ARG A 22 34.779 4.295 -4.516 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.895 6.394 -3.596 1.00 0.00 N ATOM 0 H ARG A 22 28.701 7.209 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 22 28.214 4.317 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.784 5.705 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.552 3.974 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.083 4.271 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.406 5.985 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.374 3.732 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.392 4.782 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 22 32.551 6.609 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.256 3.576 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 22 35.738 4.115 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.462 7.293 -3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.854 6.209 -3.302 1.00 0.00 H new ATOM 339 N PHE A 23 28.271 3.830 -1.495 1.00 0.00 N ATOM 340 CA PHE A 23 27.965 3.608 -0.085 1.00 0.00 C ATOM 341 C PHE A 23 28.600 2.305 0.386 1.00 0.00 C ATOM 342 O PHE A 23 28.020 1.231 0.224 1.00 0.00 O ATOM 343 CB PHE A 23 26.448 3.569 0.129 1.00 0.00 C ATOM 344 CG PHE A 23 25.752 4.810 -0.355 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.483 4.982 -1.702 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.385 5.811 0.530 1.00 0.00 C ATOM 347 CE1 PHE A 23 24.864 6.125 -2.160 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.764 6.959 0.079 1.00 0.00 C ATOM 349 CZ PHE A 23 24.503 7.117 -1.270 1.00 0.00 C ATOM 0 H PHE A 23 28.336 2.973 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 23 28.376 4.431 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.036 2.703 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.240 3.434 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.762 4.210 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.587 5.692 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.661 6.245 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.483 7.732 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.018 8.014 -1.626 1.00 0.00 H new ATOM 359 N LYS A 24 29.811 2.413 0.938 1.00 0.00 N ATOM 360 CA LYS A 24 30.550 1.255 1.444 1.00 0.00 C ATOM 361 C LYS A 24 29.636 0.278 2.153 1.00 0.00 C ATOM 362 O LYS A 24 28.518 0.617 2.543 1.00 0.00 O ATOM 363 CB LYS A 24 31.638 1.702 2.418 1.00 0.00 C ATOM 364 CG LYS A 24 31.217 2.850 3.322 1.00 0.00 C ATOM 365 CD LYS A 24 32.344 3.270 4.250 1.00 0.00 C ATOM 366 CE LYS A 24 31.893 4.351 5.220 1.00 0.00 C ATOM 367 NZ LYS A 24 30.749 3.899 6.058 1.00 0.00 N ATOM 0 H LYS A 24 30.304 3.300 1.046 1.00 0.00 H new ATOM 0 HA LYS A 24 30.998 0.759 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.931 0.853 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.519 2.002 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.910 3.700 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.351 2.551 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.699 2.404 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.185 3.636 3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.726 4.632 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.606 5.243 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.654 4.525 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.874 3.930 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.919 2.925 6.381 1.00 0.00 H new ATOM 381 N THR A 25 30.130 -0.936 2.346 1.00 0.00 N ATOM 382 CA THR A 25 29.368 -1.946 3.040 1.00 0.00 C ATOM 383 C THR A 25 29.038 -1.443 4.437 1.00 0.00 C ATOM 384 O THR A 25 29.584 -0.432 4.879 1.00 0.00 O ATOM 385 CB THR A 25 30.137 -3.273 3.139 1.00 0.00 C ATOM 386 OG1 THR A 25 31.507 -3.024 3.480 1.00 0.00 O ATOM 387 CG2 THR A 25 30.062 -4.057 1.830 1.00 0.00 C ATOM 0 H THR A 25 31.052 -1.238 2.031 1.00 0.00 H new ATOM 0 HA THR A 25 28.455 -2.134 2.475 1.00 0.00 H new ATOM 0 HB THR A 25 29.672 -3.873 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.988 -3.875 3.542 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.616 -4.990 1.933 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.020 -4.277 1.597 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.497 -3.464 1.025 1.00 0.00 H new ATOM 395 N GLY A 26 28.159 -2.138 5.137 1.00 0.00 N ATOM 396 CA GLY A 26 27.788 -1.715 6.469 1.00 0.00 C ATOM 397 C GLY A 26 26.903 -0.480 6.460 1.00 0.00 C ATOM 398 O GLY A 26 26.190 -0.222 7.430 1.00 0.00 O ATOM 0 H GLY A 26 27.696 -2.986 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.266 -2.528 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.690 -1.508 7.046 1.00 0.00 H new ATOM 402 N THR A 27 26.943 0.290 5.368 1.00 0.00 N ATOM 403 CA THR A 27 26.136 1.498 5.241 1.00 0.00 C ATOM 404 C THR A 27 24.656 1.140 5.326 1.00 0.00 C ATOM 405 O THR A 27 24.285 -0.003 5.069 1.00 0.00 O ATOM 406 CB THR A 27 26.419 2.211 3.904 1.00 0.00 C ATOM 407 OG1 THR A 27 26.134 3.609 4.024 1.00 0.00 O ATOM 408 CG2 THR A 27 25.588 1.624 2.772 1.00 0.00 C ATOM 0 H THR A 27 27.530 0.093 4.558 1.00 0.00 H new ATOM 0 HA THR A 27 26.398 2.173 6.056 1.00 0.00 H new ATOM 0 HB THR A 27 27.473 2.065 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.601 4.100 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.813 2.151 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.826 0.567 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.529 1.734 3.004 1.00 0.00 H new ATOM 416 N THR A 28 23.806 2.098 5.675 1.00 0.00 N ATOM 417 CA THR A 28 22.381 1.807 5.784 1.00 0.00 C ATOM 418 C THR A 28 21.507 3.034 5.552 1.00 0.00 C ATOM 419 O THR A 28 21.680 4.068 6.199 1.00 0.00 O ATOM 420 CB THR A 28 22.044 1.206 7.159 1.00 0.00 C ATOM 421 OG1 THR A 28 22.791 0.001 7.366 1.00 0.00 O ATOM 422 CG2 THR A 28 20.556 0.909 7.272 1.00 0.00 C ATOM 0 H THR A 28 24.069 3.061 5.883 1.00 0.00 H new ATOM 0 HA THR A 28 22.164 1.084 4.998 1.00 0.00 H new ATOM 0 HB THR A 28 22.313 1.936 7.923 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.571 -0.374 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.343 0.485 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.990 1.832 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.267 0.197 6.499 1.00 0.00 H new ATOM 430 N LEU A 29 20.568 2.903 4.621 1.00 0.00 N ATOM 431 CA LEU A 29 19.664 3.999 4.291 1.00 0.00 C ATOM 432 C LEU A 29 18.478 4.024 5.249 1.00 0.00 C ATOM 433 O LEU A 29 18.480 3.340 6.273 1.00 0.00 O ATOM 434 CB LEU A 29 19.144 3.870 2.853 1.00 0.00 C ATOM 435 CG LEU A 29 20.000 3.029 1.903 1.00 0.00 C ATOM 436 CD1 LEU A 29 19.416 3.057 0.499 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.434 3.523 1.889 1.00 0.00 C ATOM 0 H LEU A 29 20.413 2.051 4.083 1.00 0.00 H new ATOM 0 HA LEU A 29 20.227 4.928 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.144 3.439 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.046 4.871 2.432 1.00 0.00 H new ATOM 0 HG LEU A 29 19.998 2.000 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.036 2.454 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.404 2.652 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.389 4.085 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.023 2.910 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.458 4.561 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.853 3.453 2.893 1.00 0.00 H new ATOM 449 N LYS A 30 17.470 4.818 4.908 1.00 0.00 N ATOM 450 CA LYS A 30 16.264 4.920 5.718 1.00 0.00 C ATOM 451 C LYS A 30 15.056 4.501 4.892 1.00 0.00 C ATOM 452 O LYS A 30 14.483 3.434 5.108 1.00 0.00 O ATOM 453 CB LYS A 30 16.074 6.350 6.232 1.00 0.00 C ATOM 454 CG LYS A 30 15.166 6.446 7.449 1.00 0.00 C ATOM 455 CD LYS A 30 15.719 5.660 8.627 1.00 0.00 C ATOM 456 CE LYS A 30 14.809 5.759 9.841 1.00 0.00 C ATOM 457 NZ LYS A 30 13.432 5.277 9.544 1.00 0.00 N ATOM 0 H LYS A 30 17.465 5.403 4.072 1.00 0.00 H new ATOM 0 HA LYS A 30 16.365 4.257 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.048 6.769 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.660 6.963 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.047 7.492 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.175 6.071 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.837 4.614 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.710 6.035 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.230 5.174 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.766 6.794 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.919 5.120 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.930 5.989 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.484 4.385 9.012 1.00 0.00 H new ATOM 471 N TYR A 31 14.688 5.353 3.939 1.00 0.00 N ATOM 472 CA TYR A 31 13.565 5.088 3.048 1.00 0.00 C ATOM 473 C TYR A 31 12.244 4.943 3.803 1.00 0.00 C ATOM 474 O TYR A 31 12.168 4.297 4.848 1.00 0.00 O ATOM 475 CB TYR A 31 13.836 3.834 2.213 1.00 0.00 C ATOM 476 CG TYR A 31 14.572 4.107 0.921 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.863 4.623 0.928 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.975 3.851 -0.307 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.538 4.872 -0.251 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.644 4.097 -1.490 1.00 0.00 C ATOM 481 CZ TYR A 31 15.924 4.608 -1.458 1.00 0.00 C ATOM 482 OH TYR A 31 16.594 4.855 -2.634 1.00 0.00 O ATOM 0 H TYR A 31 15.158 6.241 3.764 1.00 0.00 H new ATOM 0 HA TYR A 31 13.467 5.951 2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.417 3.131 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.887 3.350 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.346 4.833 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.971 3.453 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.541 5.271 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.166 3.890 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 31 16.023 4.614 -3.393 1.00 0.00 H new ATOM 492 N THR A 32 11.207 5.559 3.249 1.00 0.00 N ATOM 493 CA THR A 32 9.873 5.509 3.831 1.00 0.00 C ATOM 494 C THR A 32 8.900 4.835 2.869 1.00 0.00 C ATOM 495 O THR A 32 9.209 4.655 1.692 1.00 0.00 O ATOM 496 CB THR A 32 9.361 6.919 4.181 1.00 0.00 C ATOM 497 OG1 THR A 32 7.934 6.913 4.303 1.00 0.00 O ATOM 498 CG2 THR A 32 9.785 7.926 3.121 1.00 0.00 C ATOM 0 H THR A 32 11.267 6.104 2.389 1.00 0.00 H new ATOM 0 HA THR A 32 9.935 4.927 4.751 1.00 0.00 H new ATOM 0 HB THR A 32 9.800 7.213 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.621 7.814 4.527 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.412 8.915 3.389 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.873 7.953 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.374 7.633 2.155 1.00 0.00 H new ATOM 506 N CYS A 33 7.726 4.466 3.368 1.00 0.00 N ATOM 507 CA CYS A 33 6.729 3.803 2.537 1.00 0.00 C ATOM 508 C CYS A 33 5.494 4.677 2.329 1.00 0.00 C ATOM 509 O CYS A 33 4.725 4.948 3.251 1.00 0.00 O ATOM 510 CB CYS A 33 6.323 2.462 3.163 1.00 0.00 C ATOM 511 SG CYS A 33 7.679 1.246 3.268 1.00 0.00 S ATOM 0 H CYS A 33 7.443 4.613 4.337 1.00 0.00 H new ATOM 0 HA CYS A 33 7.180 3.625 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.935 2.644 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.509 2.033 2.579 1.00 0.00 H new ATOM 516 N LEU A 34 5.366 5.123 1.075 1.00 0.00 N ATOM 517 CA LEU A 34 4.273 5.991 0.624 1.00 0.00 C ATOM 518 C LEU A 34 2.952 5.703 1.337 1.00 0.00 C ATOM 519 O LEU A 34 2.730 4.609 1.852 1.00 0.00 O ATOM 520 CB LEU A 34 4.079 5.847 -0.889 1.00 0.00 C ATOM 521 CG LEU A 34 5.343 6.036 -1.729 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.046 5.793 -3.200 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.920 7.428 -1.522 1.00 0.00 C ATOM 0 H LEU A 34 6.027 4.888 0.335 1.00 0.00 H new ATOM 0 HA LEU A 34 4.560 7.012 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.670 4.857 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.334 6.573 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 34 6.085 5.307 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.957 5.932 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.681 4.775 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.287 6.498 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.819 7.543 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.184 8.175 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.172 7.565 -0.470 1.00 0.00 H new ATOM 535 N PRO A 35 2.048 6.696 1.368 1.00 0.00 N ATOM 536 CA PRO A 35 0.745 6.558 2.021 1.00 0.00 C ATOM 537 C PRO A 35 -0.134 5.492 1.371 1.00 0.00 C ATOM 538 O PRO A 35 -0.619 5.668 0.256 1.00 0.00 O ATOM 539 CB PRO A 35 0.103 7.943 1.862 1.00 0.00 C ATOM 540 CG PRO A 35 1.231 8.862 1.536 1.00 0.00 C ATOM 541 CD PRO A 35 2.226 8.034 0.780 1.00 0.00 C ATOM 0 HA PRO A 35 0.855 6.241 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.645 7.941 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.403 8.250 2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.888 9.705 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.674 9.275 2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.023 8.036 -0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.243 8.402 0.913 1.00 0.00 H new ATOM 549 N GLY A 36 -0.334 4.391 2.087 1.00 0.00 N ATOM 550 CA GLY A 36 -1.186 3.334 1.565 1.00 0.00 C ATOM 551 C GLY A 36 -0.475 2.006 1.346 1.00 0.00 C ATOM 552 O GLY A 36 -1.006 1.132 0.661 1.00 0.00 O ATOM 0 H GLY A 36 0.071 4.211 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.016 3.179 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.615 3.663 0.619 1.00 0.00 H new ATOM 556 N TYR A 37 0.717 1.844 1.914 1.00 0.00 N ATOM 557 CA TYR A 37 1.425 0.578 1.756 1.00 0.00 C ATOM 558 C TYR A 37 0.719 -0.556 2.476 1.00 0.00 C ATOM 559 O TYR A 37 0.153 -0.391 3.557 1.00 0.00 O ATOM 560 CB TYR A 37 2.887 0.699 2.169 1.00 0.00 C ATOM 561 CG TYR A 37 3.781 1.031 0.993 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.017 2.347 0.624 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.380 0.027 0.243 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.824 2.652 -0.456 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.191 0.324 -0.836 1.00 0.00 C ATOM 566 CZ TYR A 37 5.408 1.640 -1.181 1.00 0.00 C ATOM 567 OH TYR A 37 6.209 1.947 -2.256 1.00 0.00 O ATOM 0 H TYR A 37 1.200 2.549 2.471 1.00 0.00 H new ATOM 0 HA TYR A 37 1.414 0.330 0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.986 1.473 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.215 -0.237 2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.563 3.147 1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.209 -1.006 0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.995 3.683 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.652 -0.470 -1.405 1.00 0.00 H new ATOM 0 HH TYR A 37 6.642 2.813 -2.105 1.00 0.00 H new ATOM 577 N VAL A 38 0.774 -1.712 1.835 1.00 0.00 N ATOM 578 CA VAL A 38 0.079 -2.880 2.345 1.00 0.00 C ATOM 579 C VAL A 38 1.032 -4.051 2.594 1.00 0.00 C ATOM 580 O VAL A 38 2.077 -4.155 1.961 1.00 0.00 O ATOM 581 CB VAL A 38 -1.017 -3.316 1.358 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.474 -4.729 1.655 1.00 0.00 C ATOM 583 CG2 VAL A 38 -2.185 -2.344 1.393 1.00 0.00 C ATOM 0 H VAL A 38 1.288 -1.865 0.968 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.368 -2.600 3.299 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.599 -3.304 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.249 -5.017 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.629 -5.411 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.873 -4.777 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.950 -2.669 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.606 -2.317 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.838 -1.348 1.118 1.00 0.00 H new ATOM 593 N ARG A 39 0.656 -4.912 3.540 1.00 0.00 N ATOM 594 CA ARG A 39 1.430 -6.106 3.883 1.00 0.00 C ATOM 595 C ARG A 39 2.939 -5.848 3.914 1.00 0.00 C ATOM 596 O ARG A 39 3.394 -4.779 4.324 1.00 0.00 O ATOM 597 CB ARG A 39 1.111 -7.227 2.891 1.00 0.00 C ATOM 598 CG ARG A 39 -0.330 -7.707 2.963 1.00 0.00 C ATOM 599 CD ARG A 39 -0.609 -8.799 1.942 1.00 0.00 C ATOM 600 NE ARG A 39 0.153 -10.015 2.210 1.00 0.00 N ATOM 601 CZ ARG A 39 -0.032 -11.158 1.557 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.945 -11.238 0.599 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.697 -12.224 1.862 1.00 0.00 N ATOM 0 H ARG A 39 -0.195 -4.801 4.091 1.00 0.00 H new ATOM 0 HA ARG A 39 1.140 -6.401 4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.319 -6.877 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.776 -8.069 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.539 -8.083 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.003 -6.867 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.674 -9.032 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.365 -8.432 0.945 1.00 0.00 H new ATOM 0 HE ARG A 39 0.867 -9.986 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.508 -10.421 0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.085 -12.116 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.400 -12.167 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.554 -13.100 1.360 1.00 0.00 H new ATOM 617 N SER A 40 3.701 -6.853 3.480 1.00 0.00 N ATOM 618 CA SER A 40 5.158 -6.791 3.449 1.00 0.00 C ATOM 619 C SER A 40 5.753 -6.674 4.850 1.00 0.00 C ATOM 620 O SER A 40 6.842 -6.131 5.024 1.00 0.00 O ATOM 621 CB SER A 40 5.616 -5.629 2.583 1.00 0.00 C ATOM 622 OG SER A 40 7.020 -5.647 2.407 1.00 0.00 O ATOM 0 H SER A 40 3.320 -7.736 3.139 1.00 0.00 H new ATOM 0 HA SER A 40 5.518 -7.725 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.124 -5.679 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.316 -4.688 3.044 1.00 0.00 H new ATOM 0 HG SER A 40 7.446 -6.008 3.212 1.00 0.00 H new ATOM 628 N HIS A 41 5.039 -7.192 5.843 1.00 0.00 N ATOM 629 CA HIS A 41 5.514 -7.155 7.224 1.00 0.00 C ATOM 630 C HIS A 41 5.769 -5.722 7.690 1.00 0.00 C ATOM 631 O HIS A 41 5.173 -4.774 7.178 1.00 0.00 O ATOM 632 CB HIS A 41 6.797 -7.980 7.361 1.00 0.00 C ATOM 633 CG HIS A 41 6.668 -9.383 6.856 1.00 0.00 C ATOM 634 ND1 HIS A 41 7.046 -9.762 5.584 1.00 0.00 N ATOM 635 CD2 HIS A 41 6.205 -10.503 7.458 1.00 0.00 C ATOM 636 CE1 HIS A 41 6.820 -11.054 5.427 1.00 0.00 C ATOM 637 NE2 HIS A 41 6.312 -11.527 6.549 1.00 0.00 N ATOM 0 H HIS A 41 4.132 -7.642 5.720 1.00 0.00 H new ATOM 0 HA HIS A 41 4.735 -7.583 7.855 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.599 -7.480 6.818 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.091 -8.007 8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.823 -10.578 8.465 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.017 -11.626 4.532 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.042 -12.497 6.715 1.00 0.00 H new ATOM 646 N SER A 42 6.663 -5.581 8.666 1.00 0.00 N ATOM 647 CA SER A 42 7.006 -4.277 9.226 1.00 0.00 C ATOM 648 C SER A 42 7.777 -3.414 8.227 1.00 0.00 C ATOM 649 O SER A 42 7.208 -2.907 7.260 1.00 0.00 O ATOM 650 CB SER A 42 7.835 -4.461 10.496 1.00 0.00 C ATOM 651 OG SER A 42 8.023 -3.228 11.168 1.00 0.00 O ATOM 0 H SER A 42 7.166 -6.361 9.088 1.00 0.00 H new ATOM 0 HA SER A 42 6.075 -3.762 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.337 -5.168 11.160 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.804 -4.891 10.242 1.00 0.00 H new ATOM 0 HG SER A 42 8.555 -3.375 11.978 1.00 0.00 H new ATOM 657 N THR A 43 9.075 -3.249 8.474 1.00 0.00 N ATOM 658 CA THR A 43 9.930 -2.440 7.610 1.00 0.00 C ATOM 659 C THR A 43 11.401 -2.789 7.822 1.00 0.00 C ATOM 660 O THR A 43 11.748 -3.509 8.758 1.00 0.00 O ATOM 661 CB THR A 43 9.744 -0.935 7.888 1.00 0.00 C ATOM 662 OG1 THR A 43 8.378 -0.656 8.216 1.00 0.00 O ATOM 663 CG2 THR A 43 10.156 -0.099 6.686 1.00 0.00 C ATOM 0 H THR A 43 9.558 -3.667 9.269 1.00 0.00 H new ATOM 0 HA THR A 43 9.640 -2.658 6.582 1.00 0.00 H new ATOM 0 HB THR A 43 10.383 -0.672 8.731 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.273 0.302 8.392 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.014 0.958 6.912 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.206 -0.283 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.544 -0.372 5.826 1.00 0.00 H new ATOM 671 N GLN A 44 12.264 -2.273 6.950 1.00 0.00 N ATOM 672 CA GLN A 44 13.697 -2.517 7.058 1.00 0.00 C ATOM 673 C GLN A 44 14.488 -1.367 6.434 1.00 0.00 C ATOM 674 O GLN A 44 14.033 -0.224 6.436 1.00 0.00 O ATOM 675 CB GLN A 44 14.075 -3.846 6.404 1.00 0.00 C ATOM 676 CG GLN A 44 15.272 -4.512 7.064 1.00 0.00 C ATOM 677 CD GLN A 44 15.671 -5.809 6.393 1.00 0.00 C ATOM 678 OE1 GLN A 44 15.186 -6.882 6.750 1.00 0.00 O ATOM 679 NE2 GLN A 44 16.567 -5.717 5.417 1.00 0.00 N ATOM 0 H GLN A 44 11.995 -1.684 6.162 1.00 0.00 H new ATOM 0 HA GLN A 44 13.951 -2.575 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.221 -4.522 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.295 -3.677 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.118 -3.825 7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.041 -4.707 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.943 -4.806 5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.879 -6.557 4.931 1.00 0.00 H new ATOM 688 N THR A 45 15.665 -1.678 5.888 1.00 0.00 N ATOM 689 CA THR A 45 16.525 -0.671 5.283 1.00 0.00 C ATOM 690 C THR A 45 17.440 -1.307 4.243 1.00 0.00 C ATOM 691 O THR A 45 17.391 -2.516 4.021 1.00 0.00 O ATOM 692 CB THR A 45 17.388 0.044 6.342 1.00 0.00 C ATOM 693 OG1 THR A 45 18.121 -0.918 7.107 1.00 0.00 O ATOM 694 CG2 THR A 45 16.525 0.888 7.272 1.00 0.00 C ATOM 0 H THR A 45 16.042 -2.625 5.855 1.00 0.00 H new ATOM 0 HA THR A 45 15.877 0.063 4.805 1.00 0.00 H new ATOM 0 HB THR A 45 18.084 0.704 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.269 -0.572 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.159 1.381 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.992 1.640 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.806 0.247 7.783 1.00 0.00 H new ATOM 702 N LEU A 46 18.273 -0.491 3.609 1.00 0.00 N ATOM 703 CA LEU A 46 19.185 -0.983 2.582 1.00 0.00 C ATOM 704 C LEU A 46 20.634 -0.870 3.045 1.00 0.00 C ATOM 705 O LEU A 46 21.133 0.223 3.309 1.00 0.00 O ATOM 706 CB LEU A 46 18.975 -0.224 1.269 1.00 0.00 C ATOM 707 CG LEU A 46 17.796 -0.712 0.418 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.538 -0.863 1.257 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.544 0.234 -0.741 1.00 0.00 C ATOM 0 H LEU A 46 18.337 0.511 3.787 1.00 0.00 H new ATOM 0 HA LEU A 46 18.967 -2.037 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.826 0.831 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.886 -0.297 0.675 1.00 0.00 H new ATOM 0 HG LEU A 46 18.058 -1.692 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.720 -1.210 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.716 -1.587 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.275 0.100 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.704 -0.130 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.313 1.227 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.434 0.286 -1.369 1.00 0.00 H new ATOM 721 N THR A 47 21.300 -2.020 3.139 1.00 0.00 N ATOM 722 CA THR A 47 22.693 -2.078 3.566 1.00 0.00 C ATOM 723 C THR A 47 23.563 -2.646 2.456 1.00 0.00 C ATOM 724 O THR A 47 23.106 -3.478 1.672 1.00 0.00 O ATOM 725 CB THR A 47 22.859 -2.968 4.814 1.00 0.00 C ATOM 726 OG1 THR A 47 21.925 -2.575 5.827 1.00 0.00 O ATOM 727 CG2 THR A 47 24.274 -2.883 5.366 1.00 0.00 C ATOM 0 H THR A 47 20.892 -2.929 2.923 1.00 0.00 H new ATOM 0 HA THR A 47 23.001 -1.060 3.805 1.00 0.00 H new ATOM 0 HB THR A 47 22.665 -3.999 4.518 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.249 -1.766 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.360 -3.521 6.245 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.982 -3.215 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.495 -1.852 5.643 1.00 0.00 H new ATOM 735 N CYS A 48 24.815 -2.205 2.382 1.00 0.00 N ATOM 736 CA CYS A 48 25.712 -2.719 1.366 1.00 0.00 C ATOM 737 C CYS A 48 26.313 -4.019 1.874 1.00 0.00 C ATOM 738 O CYS A 48 27.033 -4.043 2.872 1.00 0.00 O ATOM 739 CB CYS A 48 26.796 -1.698 1.017 1.00 0.00 C ATOM 740 SG CYS A 48 28.055 -2.314 -0.147 1.00 0.00 S ATOM 0 H CYS A 48 25.221 -1.506 3.003 1.00 0.00 H new ATOM 0 HA CYS A 48 25.159 -2.909 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.323 -0.814 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.290 -1.381 1.935 1.00 0.00 H new ATOM 745 N ASN A 49 26.002 -5.097 1.171 1.00 0.00 N ATOM 746 CA ASN A 49 26.526 -6.408 1.515 1.00 0.00 C ATOM 747 C ASN A 49 27.748 -6.708 0.654 1.00 0.00 C ATOM 748 O ASN A 49 28.135 -5.892 -0.183 1.00 0.00 O ATOM 749 CB ASN A 49 25.448 -7.475 1.306 1.00 0.00 C ATOM 750 CG ASN A 49 24.662 -7.240 0.035 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.951 -7.824 -1.006 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.664 -6.372 0.115 1.00 0.00 N ATOM 0 H ASN A 49 25.388 -5.089 0.357 1.00 0.00 H new ATOM 0 HA ASN A 49 26.820 -6.418 2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.914 -8.460 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.768 -7.477 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.100 -6.166 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.460 -5.910 1.001 1.00 0.00 H new ATOM 759 N SER A 50 28.357 -7.869 0.851 1.00 0.00 N ATOM 760 CA SER A 50 29.527 -8.247 0.064 1.00 0.00 C ATOM 761 C SER A 50 29.074 -8.995 -1.188 1.00 0.00 C ATOM 762 O SER A 50 29.396 -10.166 -1.393 1.00 0.00 O ATOM 763 CB SER A 50 30.478 -9.112 0.892 1.00 0.00 C ATOM 764 OG SER A 50 31.605 -9.505 0.128 1.00 0.00 O ATOM 0 H SER A 50 28.066 -8.561 1.542 1.00 0.00 H new ATOM 0 HA SER A 50 30.065 -7.346 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.806 -8.558 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.951 -9.996 1.251 1.00 0.00 H new ATOM 0 HG SER A 50 31.308 -10.013 -0.656 1.00 0.00 H new ATOM 770 N ASP A 51 28.315 -8.284 -2.014 1.00 0.00 N ATOM 771 CA ASP A 51 27.768 -8.811 -3.260 1.00 0.00 C ATOM 772 C ASP A 51 27.629 -7.696 -4.286 1.00 0.00 C ATOM 773 O ASP A 51 27.153 -7.913 -5.400 1.00 0.00 O ATOM 774 CB ASP A 51 26.389 -9.413 -3.006 1.00 0.00 C ATOM 775 CG ASP A 51 26.402 -10.455 -1.905 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.277 -10.074 -0.722 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.540 -11.655 -2.225 1.00 0.00 O ATOM 0 H ASP A 51 28.059 -7.313 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 51 28.446 -9.576 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.693 -8.618 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.019 -9.866 -3.926 1.00 0.00 H new ATOM 782 N GLY A 52 28.054 -6.501 -3.894 1.00 0.00 N ATOM 783 CA GLY A 52 27.948 -5.357 -4.777 1.00 0.00 C ATOM 784 C GLY A 52 26.508 -5.022 -5.109 1.00 0.00 C ATOM 785 O GLY A 52 26.212 -4.314 -6.072 1.00 0.00 O ATOM 0 H GLY A 52 28.469 -6.305 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.421 -4.494 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.494 -5.560 -5.698 1.00 0.00 H new ATOM 789 N GLU A 53 25.626 -5.563 -4.281 1.00 0.00 N ATOM 790 CA GLU A 53 24.196 -5.322 -4.413 1.00 0.00 C ATOM 791 C GLU A 53 23.584 -4.990 -3.061 1.00 0.00 C ATOM 792 O GLU A 53 24.191 -5.237 -2.022 1.00 0.00 O ATOM 793 CB GLU A 53 23.501 -6.548 -5.011 1.00 0.00 C ATOM 794 CG GLU A 53 23.199 -7.639 -3.994 1.00 0.00 C ATOM 795 CD GLU A 53 22.617 -8.885 -4.632 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.397 -8.898 -4.905 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.380 -9.847 -4.861 1.00 0.00 O ATOM 0 H GLU A 53 25.878 -6.176 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 53 24.053 -4.473 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.569 -6.233 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.130 -6.963 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.115 -7.900 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.500 -7.255 -3.251 1.00 0.00 H new ATOM 804 N TRP A 54 22.391 -4.408 -3.082 1.00 0.00 N ATOM 805 CA TRP A 54 21.686 -4.064 -1.868 1.00 0.00 C ATOM 806 C TRP A 54 20.773 -5.205 -1.453 1.00 0.00 C ATOM 807 O TRP A 54 19.799 -5.536 -2.131 1.00 0.00 O ATOM 808 CB TRP A 54 20.894 -2.784 -2.094 1.00 0.00 C ATOM 809 CG TRP A 54 21.773 -1.624 -2.447 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.087 -1.177 -3.698 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.468 -0.776 -1.533 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.929 -0.094 -3.614 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.177 0.171 -2.293 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.551 -0.727 -0.144 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.964 1.158 -1.704 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.330 0.252 0.442 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.028 1.184 -0.338 1.00 0.00 C ATOM 0 H TRP A 54 21.893 -4.165 -3.939 1.00 0.00 H new ATOM 0 HA TRP A 54 22.400 -3.897 -1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.170 -2.944 -2.893 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.328 -2.546 -1.193 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.727 -1.611 -4.619 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.307 0.427 -4.405 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.016 -1.441 0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.504 1.876 -2.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.402 0.300 1.519 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.628 1.938 0.149 1.00 0.00 H new ATOM 828 N VAL A 55 21.123 -5.797 -0.321 1.00 0.00 N ATOM 829 CA VAL A 55 20.405 -6.929 0.238 1.00 0.00 C ATOM 830 C VAL A 55 19.443 -6.438 1.309 1.00 0.00 C ATOM 831 O VAL A 55 19.745 -5.461 1.996 1.00 0.00 O ATOM 832 CB VAL A 55 21.399 -7.942 0.846 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.796 -8.676 2.028 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.872 -8.924 -0.211 1.00 0.00 C ATOM 0 H VAL A 55 21.922 -5.501 0.240 1.00 0.00 H new ATOM 0 HA VAL A 55 19.843 -7.424 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 55 22.260 -7.382 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.525 -9.380 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.522 -7.958 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.907 -9.218 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.572 -9.630 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.016 -9.466 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.368 -8.381 -1.016 1.00 0.00 H new ATOM 844 N TYR A 56 18.306 -7.115 1.471 1.00 0.00 N ATOM 845 CA TYR A 56 17.348 -6.726 2.510 1.00 0.00 C ATOM 846 C TYR A 56 16.009 -7.446 2.377 1.00 0.00 C ATOM 847 O TYR A 56 15.781 -8.178 1.415 1.00 0.00 O ATOM 848 CB TYR A 56 17.104 -5.212 2.484 1.00 0.00 C ATOM 849 CG TYR A 56 16.628 -4.699 1.140 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.284 -4.748 0.791 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.524 -4.173 0.217 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.846 -4.286 -0.436 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.095 -3.710 -1.012 1.00 0.00 C ATOM 854 CZ TYR A 56 15.756 -3.769 -1.334 1.00 0.00 C ATOM 855 OH TYR A 56 15.325 -3.309 -2.557 1.00 0.00 O ATOM 0 H TYR A 56 18.028 -7.920 0.909 1.00 0.00 H new ATOM 0 HA TYR A 56 17.795 -7.018 3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.364 -4.958 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.027 -4.699 2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.569 -5.154 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.574 -4.125 0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.797 -4.330 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.805 -3.304 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 56 14.350 -3.393 -2.613 1.00 0.00 H new ATOM 865 N ASN A 57 15.130 -7.232 3.350 1.00 0.00 N ATOM 866 CA ASN A 57 13.814 -7.858 3.338 1.00 0.00 C ATOM 867 C ASN A 57 12.774 -6.890 2.792 1.00 0.00 C ATOM 868 O ASN A 57 13.041 -5.698 2.647 1.00 0.00 O ATOM 869 CB ASN A 57 13.420 -8.311 4.746 1.00 0.00 C ATOM 870 CG ASN A 57 14.403 -9.306 5.334 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.591 -9.289 5.010 1.00 0.00 O ATOM 872 ND2 ASN A 57 13.912 -10.177 6.208 1.00 0.00 N ATOM 0 H ASN A 57 15.305 -6.631 4.155 1.00 0.00 H new ATOM 0 HA ASN A 57 13.857 -8.734 2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.355 -7.441 5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.428 -8.761 4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.526 -10.868 6.640 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.921 -10.155 6.448 1.00 0.00 H new ATOM 879 N THR A 58 11.587 -7.401 2.496 1.00 0.00 N ATOM 880 CA THR A 58 10.521 -6.572 1.963 1.00 0.00 C ATOM 881 C THR A 58 9.819 -5.826 3.088 1.00 0.00 C ATOM 882 O THR A 58 9.084 -6.418 3.875 1.00 0.00 O ATOM 883 CB THR A 58 9.492 -7.402 1.176 1.00 0.00 C ATOM 884 OG1 THR A 58 10.145 -8.497 0.520 1.00 0.00 O ATOM 885 CG2 THR A 58 8.786 -6.541 0.139 1.00 0.00 C ATOM 0 H THR A 58 11.341 -8.383 2.616 1.00 0.00 H new ATOM 0 HA THR A 58 10.977 -5.858 1.278 1.00 0.00 H new ATOM 0 HB THR A 58 8.752 -7.785 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.484 -9.022 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.063 -7.148 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.269 -5.721 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.520 -6.137 -0.559 1.00 0.00 H new ATOM 893 N PHE A 59 10.066 -4.524 3.162 1.00 0.00 N ATOM 894 CA PHE A 59 9.469 -3.687 4.196 1.00 0.00 C ATOM 895 C PHE A 59 7.996 -3.414 3.899 1.00 0.00 C ATOM 896 O PHE A 59 7.132 -3.631 4.747 1.00 0.00 O ATOM 897 CB PHE A 59 10.238 -2.368 4.326 1.00 0.00 C ATOM 898 CG PHE A 59 11.143 -2.064 3.166 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.631 -1.585 1.972 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.512 -2.256 3.274 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.467 -1.304 0.909 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.351 -1.976 2.214 1.00 0.00 C ATOM 903 CZ PHE A 59 12.828 -1.499 1.030 1.00 0.00 C ATOM 0 H PHE A 59 10.677 -4.024 2.517 1.00 0.00 H new ATOM 0 HA PHE A 59 9.530 -4.225 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.523 -1.553 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.833 -2.396 5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.567 -1.430 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.927 -2.629 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.055 -0.931 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.415 -2.130 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.482 -1.279 0.199 1.00 0.00 H new ATOM 913 N CYS A 60 7.716 -2.931 2.692 1.00 0.00 N ATOM 914 CA CYS A 60 6.343 -2.644 2.281 1.00 0.00 C ATOM 915 C CYS A 60 6.146 -3.019 0.810 1.00 0.00 C ATOM 916 O CYS A 60 7.114 -3.073 0.050 1.00 0.00 O ATOM 917 CB CYS A 60 6.009 -1.173 2.508 1.00 0.00 C ATOM 918 SG CYS A 60 6.780 -0.429 3.983 1.00 0.00 S ATOM 0 H CYS A 60 8.420 -2.730 1.981 1.00 0.00 H new ATOM 0 HA CYS A 60 5.665 -3.243 2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.317 -0.606 1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.927 -1.070 2.590 1.00 0.00 H new ATOM 923 N ILE A 61 4.899 -3.281 0.401 1.00 0.00 N ATOM 924 CA ILE A 61 4.636 -3.670 -0.986 1.00 0.00 C ATOM 925 C ILE A 61 3.535 -2.844 -1.654 1.00 0.00 C ATOM 926 O ILE A 61 3.610 -2.586 -2.856 1.00 0.00 O ATOM 927 CB ILE A 61 4.296 -5.169 -1.107 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.136 -5.537 -0.182 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.520 -6.012 -0.788 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.873 -7.025 -0.098 1.00 0.00 C ATOM 0 H ILE A 61 4.073 -3.232 0.998 1.00 0.00 H new ATOM 0 HA ILE A 61 5.567 -3.466 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 61 3.989 -5.372 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.346 -5.157 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.232 -5.036 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.267 -7.069 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.321 -5.770 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.851 -5.802 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.037 -7.209 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.631 -7.408 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.762 -7.531 0.280 1.00 0.00 H new ATOM 942 N TYR A 62 2.515 -2.443 -0.896 1.00 0.00 N ATOM 943 CA TYR A 62 1.425 -1.636 -1.466 1.00 0.00 C ATOM 944 C TYR A 62 0.560 -2.442 -2.437 1.00 0.00 C ATOM 945 O TYR A 62 1.036 -2.954 -3.452 1.00 0.00 O ATOM 946 CB TYR A 62 2.002 -0.413 -2.182 1.00 0.00 C ATOM 947 CG TYR A 62 1.135 0.820 -2.090 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.192 0.808 -2.502 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.653 1.998 -1.582 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.974 1.944 -2.407 1.00 0.00 C ATOM 951 CE2 TYR A 62 0.882 3.133 -1.483 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.429 3.104 -1.894 1.00 0.00 C ATOM 953 OH TYR A 62 -1.190 4.239 -1.792 1.00 0.00 O ATOM 0 H TYR A 62 2.416 -2.656 0.097 1.00 0.00 H new ATOM 0 HA TYR A 62 0.788 -1.318 -0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.982 -0.188 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.155 -0.659 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.618 -0.100 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.682 2.027 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.004 1.924 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.305 4.043 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.699 4.917 -1.283 1.00 0.00 H new ATOM 963 N LYS A 63 -0.727 -2.538 -2.093 1.00 0.00 N ATOM 964 CA LYS A 63 -1.709 -3.263 -2.900 1.00 0.00 C ATOM 965 C LYS A 63 -3.121 -2.897 -2.445 1.00 0.00 C ATOM 966 O LYS A 63 -3.511 -3.184 -1.313 1.00 0.00 O ATOM 967 CB LYS A 63 -1.489 -4.781 -2.808 1.00 0.00 C ATOM 968 CG LYS A 63 -1.981 -5.405 -1.511 1.00 0.00 C ATOM 969 CD LYS A 63 -1.646 -6.885 -1.436 1.00 0.00 C ATOM 970 CE LYS A 63 -0.178 -7.105 -1.148 1.00 0.00 C ATOM 971 NZ LYS A 63 0.229 -8.517 -1.386 1.00 0.00 N ATOM 0 H LYS A 63 -1.116 -2.116 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.583 -2.973 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.996 -5.262 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.425 -4.990 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.531 -4.887 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.060 -5.272 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.246 -7.356 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.910 -7.367 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.418 -6.444 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.033 -6.836 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.927 -8.802 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.605 -9.134 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.650 -8.602 -2.333 1.00 0.00 H new ATOM 985 N ARG A 64 -3.884 -2.236 -3.312 1.00 0.00 N ATOM 986 CA ARG A 64 -5.248 -1.832 -2.996 1.00 0.00 C ATOM 987 C ARG A 64 -6.237 -2.761 -3.696 1.00 0.00 C ATOM 988 O ARG A 64 -5.988 -3.956 -3.804 1.00 0.00 O ATOM 989 CB ARG A 64 -5.484 -0.382 -3.426 1.00 0.00 C ATOM 990 CG ARG A 64 -5.037 -0.089 -4.849 1.00 0.00 C ATOM 991 CD ARG A 64 -3.586 0.365 -4.898 1.00 0.00 C ATOM 992 NE ARG A 64 -3.451 1.788 -4.599 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.602 2.595 -5.228 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.810 2.120 -6.180 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.543 3.880 -4.906 1.00 0.00 N ATOM 0 H ARG A 64 -3.575 -1.968 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.399 -1.901 -1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.545 -0.152 -3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.953 0.282 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.160 -0.983 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.675 0.683 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.000 -0.213 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.175 0.161 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.041 2.185 -3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.851 1.132 -6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.160 2.742 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.150 4.251 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.891 4.498 -5.390 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.356 -2.217 -4.168 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.353 -3.019 -4.856 1.00 0.00 C ATOM 1011 C CYS A 65 -9.100 -2.183 -5.880 1.00 0.00 C ATOM 1012 O CYS A 65 -8.990 -0.958 -5.892 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.348 -3.590 -3.855 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.242 -2.844 -2.202 1.00 0.00 S ATOM 0 H CYS A 65 -7.591 -1.228 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.839 -3.833 -5.367 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.358 -3.450 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.185 -4.664 -3.769 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.860 -2.849 -6.736 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.635 -2.150 -7.743 1.00 0.00 C ATOM 1021 C ARG A 66 -11.760 -1.375 -7.076 1.00 0.00 C ATOM 1022 O ARG A 66 -12.319 -1.812 -6.069 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.219 -3.127 -8.763 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.983 -2.441 -9.883 1.00 0.00 C ATOM 1025 CD ARG A 66 -13.277 -3.169 -10.196 1.00 0.00 C ATOM 1026 NE ARG A 66 -13.988 -2.564 -11.320 1.00 0.00 N ATOM 1027 CZ ARG A 66 -15.123 -3.045 -11.820 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -15.668 -4.139 -11.306 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -15.712 -2.433 -12.838 1.00 0.00 N ATOM 0 H ARG A 66 -9.955 -3.864 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.973 -1.461 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.411 -3.719 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.885 -3.822 -8.251 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.202 -1.412 -9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.361 -2.399 -10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.060 -4.213 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.919 -3.162 -9.315 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.592 -1.726 -11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.217 -4.615 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.538 -4.505 -11.692 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.295 -1.593 -13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.582 -2.802 -13.221 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.086 -0.227 -7.642 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.164 0.584 -7.101 1.00 0.00 C ATOM 1045 C HIS A 67 -14.484 -0.169 -7.253 1.00 0.00 C ATOM 1046 O HIS A 67 -14.900 -0.467 -8.373 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.234 1.936 -7.818 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.020 2.973 -7.075 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -13.684 4.311 -7.069 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -15.132 2.863 -6.309 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -14.554 4.978 -6.330 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -15.442 4.122 -5.860 1.00 0.00 N ATOM 0 H HIS A 67 -11.627 0.162 -8.466 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.975 0.773 -6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.221 2.306 -7.977 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.679 1.792 -8.803 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.673 1.954 -6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -14.540 6.042 -6.143 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.232 4.358 -5.259 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.161 -0.496 -6.133 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.432 -1.226 -6.163 1.00 0.00 C ATOM 1063 C PRO A 68 -17.418 -0.610 -7.149 1.00 0.00 C ATOM 1064 O PRO A 68 -18.394 -1.252 -7.539 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.948 -1.152 -4.720 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.083 -0.140 -4.038 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.765 -0.165 -4.758 1.00 0.00 C ATOM 0 HA PRO A 68 -16.306 -2.254 -6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.996 -0.854 -4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.879 -2.122 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.533 0.852 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.956 -0.384 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.254 0.796 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.088 -0.910 -4.340 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.166 0.627 -7.554 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.042 1.278 -8.507 1.00 0.00 C ATOM 1077 C GLY A 69 -18.917 2.343 -7.881 1.00 0.00 C ATOM 1078 O GLY A 69 -18.727 2.744 -6.734 1.00 0.00 O ATOM 0 H GLY A 69 -16.374 1.189 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.440 1.729 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.676 0.528 -8.980 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.884 2.787 -8.673 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.815 3.814 -8.237 1.00 0.00 C ATOM 1084 C GLU A 70 -21.899 3.216 -7.345 1.00 0.00 C ATOM 1085 O GLU A 70 -22.446 2.151 -7.632 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.438 4.530 -9.437 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.386 5.653 -9.054 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.989 6.344 -10.262 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -24.047 5.885 -10.742 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.403 7.344 -10.728 1.00 0.00 O ATOM 0 H GLU A 70 -20.043 2.450 -9.623 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.259 4.549 -7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.641 4.936 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.977 3.802 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.186 5.252 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.850 6.386 -8.450 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.198 3.920 -6.256 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.236 3.502 -5.321 1.00 0.00 C ATOM 1099 C LEU A 71 -24.538 4.187 -5.705 1.00 0.00 C ATOM 1100 O LEU A 71 -24.759 5.344 -5.344 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.847 3.882 -3.883 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.417 2.992 -2.767 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -22.972 3.507 -1.406 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -24.938 2.924 -2.829 1.00 0.00 C ATOM 0 H LEU A 71 -21.731 4.790 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.355 2.420 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.760 3.871 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.168 4.907 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.030 1.984 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.382 2.868 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -21.883 3.495 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.331 4.527 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.307 2.286 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.352 3.926 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.245 2.511 -3.790 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.402 3.491 -6.438 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.678 4.080 -6.817 1.00 0.00 C ATOM 1118 C ARG A 72 -27.477 4.342 -5.553 1.00 0.00 C ATOM 1119 O ARG A 72 -27.740 3.436 -4.762 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.444 3.196 -7.802 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.871 3.653 -8.054 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.561 2.779 -9.089 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.844 2.764 -10.361 1.00 0.00 N ATOM 1124 CZ ARG A 72 -29.175 1.981 -11.384 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.206 1.152 -11.283 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.474 2.025 -12.509 1.00 0.00 N ATOM 0 H ARG A 72 -25.246 2.541 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.503 5.021 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.907 3.174 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.461 2.175 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.433 3.626 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.868 4.688 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.642 1.761 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.576 3.141 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.045 3.389 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.747 1.114 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.457 0.553 -12.069 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.680 2.660 -12.591 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.729 1.424 -13.293 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.847 5.609 -5.381 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.544 6.052 -4.189 1.00 0.00 C ATOM 1142 C ASN A 73 -27.573 5.909 -3.032 1.00 0.00 C ATOM 1143 O ASN A 73 -27.906 5.335 -1.996 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.813 5.227 -3.941 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.733 5.191 -5.146 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.454 4.217 -5.360 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -30.715 6.255 -5.942 1.00 0.00 N ATOM 0 H ASN A 73 -27.671 6.348 -6.062 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.868 7.087 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.532 4.208 -3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.352 5.644 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.314 6.285 -6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.102 7.042 -5.728 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.370 6.455 -3.206 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.371 6.344 -2.170 1.00 0.00 C ATOM 1156 C GLY A 74 -24.033 6.958 -2.544 1.00 0.00 C ATOM 1157 O GLY A 74 -23.875 7.526 -3.625 1.00 0.00 O ATOM 0 H GLY A 74 -26.077 6.966 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.742 6.827 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.223 5.291 -1.931 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.072 6.835 -1.632 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.736 7.384 -1.853 1.00 0.00 C ATOM 1163 C GLN A 75 -20.671 6.564 -1.129 1.00 0.00 C ATOM 1164 O GLN A 75 -20.246 6.919 -0.028 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.671 8.842 -1.389 1.00 0.00 C ATOM 1166 CG GLN A 75 -20.332 9.508 -1.667 1.00 0.00 C ATOM 1167 CD GLN A 75 -20.178 10.834 -0.950 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.540 11.885 -1.479 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -19.636 10.791 0.261 1.00 0.00 N ATOM 0 H GLN A 75 -23.192 6.362 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.535 7.339 -2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.459 9.408 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.873 8.884 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -19.528 8.839 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -20.225 9.665 -2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -19.350 9.897 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -19.505 11.652 0.792 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.258 5.455 -1.745 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.237 4.599 -1.147 1.00 0.00 C ATOM 1180 C VAL A 76 -18.033 5.433 -0.701 1.00 0.00 C ATOM 1181 O VAL A 76 -17.453 6.169 -1.501 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.797 3.485 -2.115 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -18.730 4.007 -3.531 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.470 2.880 -1.686 1.00 0.00 C ATOM 0 H VAL A 76 -20.611 5.133 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.675 4.121 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.544 2.692 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.417 3.205 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -19.713 4.368 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.011 4.825 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.184 2.096 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.703 3.655 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.570 2.454 -0.688 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.658 5.318 0.567 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.531 6.085 1.093 1.00 0.00 C ATOM 1196 C GLU A 77 -15.206 5.651 0.463 1.00 0.00 C ATOM 1197 O GLU A 77 -14.636 4.629 0.844 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.443 5.941 2.612 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.369 6.820 3.233 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.781 8.277 3.308 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.637 8.988 2.291 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.246 8.708 4.384 1.00 0.00 O ATOM 0 H GLU A 77 -18.112 4.707 1.246 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.707 7.130 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.408 6.192 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.241 4.899 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.143 6.458 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.452 6.735 2.649 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.716 6.437 -0.500 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.443 6.136 -1.156 1.00 0.00 C ATOM 1211 C ILE A 78 -12.637 7.406 -1.417 1.00 0.00 C ATOM 1212 O ILE A 78 -13.176 8.514 -1.435 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.611 5.395 -2.499 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.653 4.278 -2.389 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.264 4.833 -2.944 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.112 2.976 -1.835 1.00 0.00 C ATOM 0 H ILE A 78 -15.178 7.280 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.915 5.483 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.968 6.104 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.469 4.619 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -15.075 4.092 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.384 4.310 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.552 5.649 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.893 4.138 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.914 2.239 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.316 2.608 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.716 3.143 -0.833 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.338 7.218 -1.624 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.405 8.308 -1.883 1.00 0.00 C ATOM 1230 C LYS A 79 -9.022 7.728 -2.111 1.00 0.00 C ATOM 1231 O LYS A 79 -8.184 8.296 -2.811 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.363 9.273 -0.692 1.00 0.00 C ATOM 1233 CG LYS A 79 -9.931 8.627 0.624 1.00 0.00 C ATOM 1234 CD LYS A 79 -10.992 7.683 1.175 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.079 7.767 2.690 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.311 7.115 3.212 1.00 0.00 N ATOM 0 H LYS A 79 -10.900 6.297 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.733 8.857 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.679 10.089 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.352 9.713 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.002 8.077 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.723 9.405 1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.961 7.929 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.760 6.660 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.202 7.292 3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.064 8.813 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.138 6.768 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.089 7.805 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.568 6.316 2.597 1.00 0.00 H new ATOM 1250 N THR A 80 -8.829 6.572 -1.501 1.00 0.00 N ATOM 1251 CA THR A 80 -7.580 5.835 -1.544 1.00 0.00 C ATOM 1252 C THR A 80 -7.650 4.765 -0.481 1.00 0.00 C ATOM 1253 O THR A 80 -6.910 3.780 -0.490 1.00 0.00 O ATOM 1254 CB THR A 80 -6.386 6.738 -1.235 1.00 0.00 C ATOM 1255 OG1 THR A 80 -5.164 6.116 -1.654 1.00 0.00 O ATOM 1256 CG2 THR A 80 -6.342 7.015 0.251 1.00 0.00 C ATOM 0 H THR A 80 -9.553 6.110 -0.950 1.00 0.00 H new ATOM 0 HA THR A 80 -7.445 5.419 -2.542 1.00 0.00 H new ATOM 0 HB THR A 80 -6.498 7.676 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.409 6.707 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.492 7.659 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.263 7.511 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.239 6.075 0.793 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.561 5.017 0.449 1.00 0.00 N ATOM 1265 CA ASP A 81 -8.814 4.141 1.578 1.00 0.00 C ATOM 1266 C ASP A 81 -8.839 2.685 1.170 1.00 0.00 C ATOM 1267 O ASP A 81 -8.657 1.791 1.999 1.00 0.00 O ATOM 1268 CB ASP A 81 -10.141 4.507 2.233 1.00 0.00 C ATOM 1269 CG ASP A 81 -10.422 3.681 3.471 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -10.880 2.530 3.323 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -10.184 4.185 4.589 1.00 0.00 O ATOM 0 H ASP A 81 -9.152 5.848 0.438 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.997 4.277 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.132 5.564 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.949 4.366 1.515 1.00 0.00 H new ATOM 1276 N LEU A 82 -9.095 2.450 -0.111 1.00 0.00 N ATOM 1277 CA LEU A 82 -9.166 1.108 -0.653 1.00 0.00 C ATOM 1278 C LEU A 82 -7.837 0.363 -0.532 1.00 0.00 C ATOM 1279 O LEU A 82 -7.604 -0.606 -1.252 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.582 1.156 -2.124 1.00 0.00 C ATOM 1281 CG LEU A 82 -11.044 1.513 -2.381 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.296 1.696 -3.870 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.955 0.438 -1.815 1.00 0.00 C ATOM 0 H LEU A 82 -9.258 3.186 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.910 0.567 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.953 1.882 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.379 0.184 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.264 2.455 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.343 1.950 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.664 2.499 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.061 0.770 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.995 0.705 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.732 -0.516 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.793 0.352 -0.741 1.00 0.00 H new ATOM 1295 N SER A 83 -6.969 0.798 0.373 1.00 0.00 N ATOM 1296 CA SER A 83 -5.706 0.110 0.589 1.00 0.00 C ATOM 1297 C SER A 83 -5.945 -1.122 1.462 1.00 0.00 C ATOM 1298 O SER A 83 -6.562 -1.023 2.522 1.00 0.00 O ATOM 1299 CB SER A 83 -4.692 1.041 1.258 1.00 0.00 C ATOM 1300 OG SER A 83 -5.194 1.547 2.483 1.00 0.00 O ATOM 0 H SER A 83 -7.116 1.617 0.964 1.00 0.00 H new ATOM 0 HA SER A 83 -5.300 -0.199 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.762 0.502 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.456 1.868 0.589 1.00 0.00 H new ATOM 0 HG SER A 83 -5.901 0.955 2.816 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.469 -2.280 1.006 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.641 -3.531 1.746 1.00 0.00 C ATOM 1308 C PHE A 84 -5.366 -3.327 3.234 1.00 0.00 C ATOM 1309 O PHE A 84 -4.470 -2.568 3.606 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.708 -4.605 1.172 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.753 -5.932 1.884 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -4.145 -6.098 3.120 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -5.395 -7.016 1.310 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.179 -7.318 3.769 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -5.429 -8.239 1.953 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.822 -8.389 3.184 1.00 0.00 C ATOM 0 H PHE A 84 -4.961 -2.379 0.127 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.675 -3.860 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.962 -4.763 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.685 -4.229 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.638 -5.263 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.875 -6.905 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.703 -7.432 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.930 -9.077 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.851 -9.344 3.688 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.139 -4.004 4.082 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.962 -3.883 5.518 1.00 0.00 C ATOM 1328 C GLY A 85 -6.820 -2.785 6.118 1.00 0.00 C ATOM 1329 O GLY A 85 -6.359 -2.031 6.974 1.00 0.00 O ATOM 0 H GLY A 85 -6.887 -4.636 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.209 -4.833 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.913 -3.680 5.736 1.00 0.00 H new ATOM 1333 N SER A 86 -8.075 -2.700 5.676 1.00 0.00 N ATOM 1334 CA SER A 86 -8.992 -1.674 6.172 1.00 0.00 C ATOM 1335 C SER A 86 -10.442 -2.002 5.839 1.00 0.00 C ATOM 1336 O SER A 86 -10.921 -3.106 6.101 1.00 0.00 O ATOM 1337 CB SER A 86 -8.610 -0.309 5.589 1.00 0.00 C ATOM 1338 OG SER A 86 -7.328 0.102 6.032 1.00 0.00 O ATOM 0 H SER A 86 -8.478 -3.326 4.979 1.00 0.00 H new ATOM 0 HA SER A 86 -8.904 -1.644 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.621 -0.361 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.353 0.434 5.880 1.00 0.00 H new ATOM 0 HG SER A 86 -6.995 -0.531 6.702 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.117 -1.028 5.246 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.519 -1.173 4.866 1.00 0.00 C ATOM 1346 C GLN A 87 -13.073 0.152 4.339 1.00 0.00 C ATOM 1347 O GLN A 87 -12.555 1.221 4.660 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.351 -1.667 6.065 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.516 -0.762 6.444 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.067 0.584 6.978 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -13.051 0.688 7.665 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.816 1.626 6.642 1.00 0.00 N ATOM 0 H GLN A 87 -10.714 -0.120 5.015 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.586 -1.914 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.739 -2.660 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.694 -1.772 6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.149 -0.608 5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.127 -1.260 7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.650 1.491 6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.558 2.562 6.955 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.128 0.072 3.536 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.753 1.263 2.971 1.00 0.00 C ATOM 1363 C ILE A 88 -16.230 1.333 3.323 1.00 0.00 C ATOM 1364 O ILE A 88 -17.028 0.515 2.865 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.600 1.306 1.443 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.008 -0.038 0.830 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.169 1.660 1.073 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.218 0.012 -0.667 1.00 0.00 C ATOM 0 H ILE A 88 -14.569 -0.806 3.261 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.240 2.121 3.405 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.259 2.075 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.240 -0.778 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.928 -0.379 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.070 1.688 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.918 2.637 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.492 0.909 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.505 -0.976 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.008 0.726 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.293 0.322 -1.154 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.591 2.310 4.146 1.00 0.00 N ATOM 1381 CA GLU A 89 -17.977 2.484 4.542 1.00 0.00 C ATOM 1382 C GLU A 89 -18.790 3.003 3.362 1.00 0.00 C ATOM 1383 O GLU A 89 -18.234 3.312 2.311 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.084 3.448 5.727 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.415 3.366 6.457 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.469 4.256 7.682 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.051 3.800 8.766 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -19.930 5.411 7.556 1.00 0.00 O ATOM 0 H GLU A 89 -15.945 2.989 4.549 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.376 1.518 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.279 3.237 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -17.936 4.467 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -20.217 3.647 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.598 2.334 6.755 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.101 3.085 3.535 1.00 0.00 N ATOM 1396 CA PHE A 90 -20.979 3.569 2.477 1.00 0.00 C ATOM 1397 C PHE A 90 -21.927 4.631 3.017 1.00 0.00 C ATOM 1398 O PHE A 90 -21.818 5.036 4.175 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.769 2.406 1.873 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.900 1.361 1.232 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.497 1.487 -0.090 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.489 0.250 1.952 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.701 0.523 -0.680 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.694 -0.716 1.366 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.300 -0.579 0.048 1.00 0.00 C ATOM 0 H PHE A 90 -20.581 2.823 4.396 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.367 4.019 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.368 1.939 2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.463 2.796 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.809 2.347 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.794 0.138 2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.393 0.632 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.381 -1.577 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.679 -1.334 -0.412 1.00 0.00 H new ATOM 1415 N SER A 91 -22.857 5.083 2.182 1.00 0.00 N ATOM 1416 CA SER A 91 -23.816 6.098 2.597 1.00 0.00 C ATOM 1417 C SER A 91 -25.040 6.121 1.697 1.00 0.00 C ATOM 1418 O SER A 91 -24.989 6.605 0.571 1.00 0.00 O ATOM 1419 CB SER A 91 -23.171 7.479 2.605 1.00 0.00 C ATOM 1420 OG SER A 91 -22.440 7.709 1.414 1.00 0.00 O ATOM 0 H SER A 91 -22.966 4.764 1.219 1.00 0.00 H new ATOM 0 HA SER A 91 -24.135 5.838 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.941 8.242 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.508 7.569 3.465 1.00 0.00 H new ATOM 0 HG SER A 91 -21.619 7.174 1.426 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.136 5.602 2.220 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.377 5.590 1.455 1.00 0.00 C ATOM 1428 C CYS A 92 -28.064 6.946 1.589 1.00 0.00 C ATOM 1429 O CYS A 92 -28.319 7.416 2.699 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.301 4.456 1.901 1.00 0.00 C ATOM 1431 SG CYS A 92 -27.727 2.791 1.416 1.00 0.00 S ATOM 0 H CYS A 92 -26.197 5.190 3.151 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.141 5.410 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.404 4.491 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.293 4.623 1.481 1.00 0.00 H new ATOM 1436 N SER A 93 -28.340 7.571 0.447 1.00 0.00 N ATOM 1437 CA SER A 93 -28.962 8.897 0.396 1.00 0.00 C ATOM 1438 C SER A 93 -30.168 9.056 1.320 1.00 0.00 C ATOM 1439 O SER A 93 -30.560 8.145 2.043 1.00 0.00 O ATOM 1440 CB SER A 93 -29.395 9.218 -1.034 1.00 0.00 C ATOM 1441 OG SER A 93 -28.276 9.489 -1.860 1.00 0.00 O ATOM 0 H SER A 93 -28.140 7.174 -0.471 1.00 0.00 H new ATOM 0 HA SER A 93 -28.199 9.592 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 93 -29.958 8.379 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.064 10.079 -1.030 1.00 0.00 H new ATOM 0 HG SER A 93 -28.582 9.689 -2.769 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.746 10.252 1.258 1.00 0.00 N ATOM 1448 CA GLU A 94 -31.908 10.631 2.054 1.00 0.00 C ATOM 1449 C GLU A 94 -32.952 9.525 2.174 1.00 0.00 C ATOM 1450 O GLU A 94 -33.021 8.839 3.194 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.542 11.891 1.462 1.00 0.00 C ATOM 1452 CG GLU A 94 -33.855 12.283 2.114 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.363 13.631 1.639 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.987 13.683 0.559 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.133 14.635 2.346 1.00 0.00 O ATOM 0 H GLU A 94 -30.415 10.996 0.644 1.00 0.00 H new ATOM 0 HA GLU A 94 -31.550 10.822 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.839 12.719 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.709 11.735 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.604 11.521 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -33.726 12.308 3.196 1.00 0.00 H new ATOM 1462 N GLY A 95 -33.766 9.355 1.141 1.00 0.00 N ATOM 1463 CA GLY A 95 -34.839 8.373 1.181 1.00 0.00 C ATOM 1464 C GLY A 95 -34.381 6.928 1.153 1.00 0.00 C ATOM 1465 O GLY A 95 -35.132 6.063 0.712 1.00 0.00 O ATOM 0 H GLY A 95 -33.704 9.882 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.427 8.535 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.502 8.546 0.333 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.176 6.650 1.633 1.00 0.00 N ATOM 1470 CA PHE A 96 -32.674 5.271 1.655 1.00 0.00 C ATOM 1471 C PHE A 96 -31.620 5.077 2.740 1.00 0.00 C ATOM 1472 O PHE A 96 -30.846 5.981 3.045 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.059 4.894 0.296 1.00 0.00 C ATOM 1474 CG PHE A 96 -32.936 5.192 -0.887 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.943 4.318 -1.256 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.753 6.349 -1.627 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.755 4.591 -2.340 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.562 6.629 -2.711 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.566 5.749 -3.068 1.00 0.00 C ATOM 0 H PHE A 96 -32.532 7.346 2.009 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.526 4.625 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.116 5.428 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -31.825 3.830 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.096 3.411 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.969 7.040 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.537 3.899 -2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.410 7.535 -3.279 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.201 5.966 -3.914 1.00 0.00 H new ATOM 1489 N PHE A 97 -31.602 3.882 3.323 1.00 0.00 N ATOM 1490 CA PHE A 97 -30.629 3.552 4.355 1.00 0.00 C ATOM 1491 C PHE A 97 -29.719 2.433 3.871 1.00 0.00 C ATOM 1492 O PHE A 97 -29.987 1.787 2.858 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.321 3.171 5.669 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.034 1.848 5.647 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.180 1.672 4.888 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -31.565 0.784 6.402 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -33.844 0.460 4.884 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -32.223 -0.430 6.398 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.366 -0.591 5.640 1.00 0.00 C ATOM 0 H PHE A 97 -32.250 3.128 3.097 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.021 4.435 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -30.575 3.152 6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.039 3.950 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -33.558 2.490 4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -30.674 0.906 7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -34.737 0.335 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -31.844 -1.252 6.987 1.00 0.00 H new ATOM 0 HZ PHE A 97 -33.885 -1.538 5.639 1.00 0.00 H new ATOM 1509 N LEU A 98 -28.651 2.210 4.622 1.00 0.00 N ATOM 1510 CA LEU A 98 -27.664 1.199 4.272 1.00 0.00 C ATOM 1511 C LEU A 98 -28.115 -0.189 4.714 1.00 0.00 C ATOM 1512 O LEU A 98 -28.625 -0.364 5.820 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.322 1.550 4.926 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.084 0.874 4.325 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.101 -0.625 4.578 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.981 1.160 2.838 1.00 0.00 C ATOM 0 H LEU A 98 -28.445 2.718 5.482 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.552 1.184 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.185 2.630 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.376 1.290 5.983 1.00 0.00 H new ATOM 0 HG LEU A 98 -24.206 1.291 4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.211 -1.078 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.113 -0.813 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.991 -1.061 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.095 0.670 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.869 0.780 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.905 2.236 2.679 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.920 -1.173 3.839 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.264 -2.565 4.109 1.00 0.00 C ATOM 1530 C ILE A 99 -27.437 -3.470 3.217 1.00 0.00 C ATOM 1531 O ILE A 99 -27.712 -3.630 2.030 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.743 -2.870 3.814 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.522 -1.580 3.616 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.346 -3.702 4.930 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.884 -1.782 2.991 1.00 0.00 C ATOM 0 H ILE A 99 -27.515 -1.024 2.915 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.067 -2.739 5.167 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.802 -3.447 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.644 -1.088 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.939 -0.907 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.392 -3.909 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.801 -4.642 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.278 -3.154 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.380 -0.818 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.770 -2.245 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.485 -2.429 3.630 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.418 -4.055 3.819 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.520 -4.933 3.100 1.00 0.00 C ATOM 1549 C GLY A 100 -24.093 -4.731 3.537 1.00 0.00 C ATOM 1550 O GLY A 100 -23.199 -4.541 2.711 1.00 0.00 O ATOM 0 H GLY A 100 -26.193 -3.936 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.811 -5.970 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.605 -4.746 2.029 1.00 0.00 H new ATOM 1554 N SER A 101 -23.887 -4.769 4.845 1.00 0.00 N ATOM 1555 CA SER A 101 -22.569 -4.567 5.423 1.00 0.00 C ATOM 1556 C SER A 101 -22.075 -3.160 5.113 1.00 0.00 C ATOM 1557 O SER A 101 -21.563 -2.899 4.024 1.00 0.00 O ATOM 1558 CB SER A 101 -21.590 -5.610 4.886 1.00 0.00 C ATOM 1559 OG SER A 101 -21.866 -6.893 5.420 1.00 0.00 O ATOM 0 H SER A 101 -24.623 -4.939 5.530 1.00 0.00 H new ATOM 0 HA SER A 101 -22.635 -4.683 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.652 -5.645 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.570 -5.320 5.138 1.00 0.00 H new ATOM 0 HG SER A 101 -21.227 -7.542 5.059 1.00 0.00 H new ATOM 1565 N THR A 102 -22.237 -2.254 6.074 1.00 0.00 N ATOM 1566 CA THR A 102 -21.815 -0.871 5.900 1.00 0.00 C ATOM 1567 C THR A 102 -20.316 -0.789 5.711 1.00 0.00 C ATOM 1568 O THR A 102 -19.777 0.270 5.395 1.00 0.00 O ATOM 1569 CB THR A 102 -22.206 0.000 7.110 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.398 -0.345 8.241 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.674 -0.182 7.466 1.00 0.00 C ATOM 0 H THR A 102 -22.658 -2.455 6.981 1.00 0.00 H new ATOM 0 HA THR A 102 -22.324 -0.495 5.013 1.00 0.00 H new ATOM 0 HB THR A 102 -22.040 1.043 6.841 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.650 0.213 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.921 0.445 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.293 0.105 6.616 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.861 -1.227 7.714 1.00 0.00 H new ATOM 1579 N THR A 103 -19.645 -1.911 5.904 1.00 0.00 N ATOM 1580 CA THR A 103 -18.212 -1.968 5.748 1.00 0.00 C ATOM 1581 C THR A 103 -17.837 -2.919 4.625 1.00 0.00 C ATOM 1582 O THR A 103 -18.589 -3.836 4.295 1.00 0.00 O ATOM 1583 CB THR A 103 -17.537 -2.407 7.049 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.002 -3.706 7.435 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.819 -1.407 8.159 1.00 0.00 C ATOM 0 H THR A 103 -20.077 -2.796 6.170 1.00 0.00 H new ATOM 0 HA THR A 103 -17.862 -0.967 5.497 1.00 0.00 H new ATOM 0 HB THR A 103 -16.461 -2.450 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.562 -3.977 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.331 -1.735 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.434 -0.428 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.894 -1.340 8.324 1.00 0.00 H new ATOM 1593 N SER A 104 -16.672 -2.693 4.040 1.00 0.00 N ATOM 1594 CA SER A 104 -16.156 -3.544 2.983 1.00 0.00 C ATOM 1595 C SER A 104 -14.638 -3.593 3.103 1.00 0.00 C ATOM 1596 O SER A 104 -13.962 -2.596 2.863 1.00 0.00 O ATOM 1597 CB SER A 104 -16.579 -3.024 1.607 1.00 0.00 C ATOM 1598 OG SER A 104 -17.979 -3.148 1.423 1.00 0.00 O ATOM 0 H SER A 104 -16.059 -1.915 4.285 1.00 0.00 H new ATOM 0 HA SER A 104 -16.566 -4.549 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.287 -1.979 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.056 -3.579 0.828 1.00 0.00 H new ATOM 0 HG SER A 104 -18.319 -2.355 0.958 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.103 -4.760 3.445 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.663 -4.932 3.642 1.00 0.00 C ATOM 1606 C ARG A 105 -11.973 -5.375 2.361 1.00 0.00 C ATOM 1607 O ARG A 105 -12.545 -6.109 1.555 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.403 -5.954 4.751 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.020 -5.569 6.088 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.613 -6.534 7.192 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.141 -6.131 8.494 1.00 0.00 N ATOM 1612 CZ ARG A 105 -12.782 -6.697 9.642 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -11.899 -7.687 9.652 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.305 -6.272 10.785 1.00 0.00 N ATOM 0 H ARG A 105 -14.648 -5.609 3.593 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.249 -3.966 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.799 -6.922 4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.327 -6.075 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.710 -4.559 6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.106 -5.556 5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.971 -7.534 6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.526 -6.589 7.243 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.823 -5.373 8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.493 -8.017 8.776 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.626 -8.118 10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.983 -5.510 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.029 -6.707 11.665 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.730 -4.940 2.192 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.958 -5.283 1.009 1.00 0.00 C ATOM 1630 C CYS A 106 -9.053 -6.467 1.306 1.00 0.00 C ATOM 1631 O CYS A 106 -8.138 -6.367 2.121 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.127 -4.084 0.556 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.359 -4.284 -1.079 1.00 0.00 S ATOM 0 H CYS A 106 -10.237 -4.349 2.861 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.643 -5.555 0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.764 -3.200 0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.345 -3.900 1.292 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.318 -7.589 0.650 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.552 -8.799 0.879 1.00 0.00 C ATOM 1640 C GLU A 107 -7.797 -9.221 -0.377 1.00 0.00 C ATOM 1641 O GLU A 107 -8.034 -8.698 -1.464 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.495 -9.912 1.337 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.787 -11.148 1.872 1.00 0.00 C ATOM 1644 CD GLU A 107 -7.958 -10.860 3.107 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -8.547 -10.725 4.200 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -6.718 -10.773 2.982 1.00 0.00 O ATOM 0 H GLU A 107 -10.059 -7.683 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.812 -8.605 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.153 -9.519 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.129 -10.204 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.528 -11.912 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.142 -11.557 1.094 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.889 -10.171 -0.206 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.096 -10.665 -1.322 1.00 0.00 C ATOM 1655 C VAL A 108 -5.972 -12.185 -1.312 1.00 0.00 C ATOM 1656 O VAL A 108 -5.604 -12.796 -0.309 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.687 -10.031 -1.344 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.755 -10.797 -2.271 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.764 -8.575 -1.771 1.00 0.00 C ATOM 0 H VAL A 108 -6.684 -10.613 0.690 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.630 -10.371 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.283 -10.082 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.771 -10.328 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.667 -11.828 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.158 -10.784 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.762 -8.145 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.196 -8.511 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.389 -8.023 -1.069 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.287 -12.772 -2.458 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.215 -14.218 -2.622 1.00 0.00 C ATOM 1671 C GLN A 109 -5.566 -14.573 -3.948 1.00 0.00 C ATOM 1672 O GLN A 109 -5.781 -15.653 -4.497 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.617 -14.824 -2.526 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.598 -14.246 -3.534 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.014 -14.747 -3.327 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.399 -15.788 -3.860 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.804 -14.003 -2.557 1.00 0.00 N ATOM 0 H GLN A 109 -6.596 -12.269 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.600 -14.633 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.549 -15.902 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.005 -14.664 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.588 -13.158 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.270 -14.502 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.445 -13.147 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.769 -14.289 -2.389 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.752 -13.649 -4.433 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.041 -13.805 -5.693 1.00 0.00 C ATOM 1688 C ASP A 110 -3.027 -12.681 -5.859 1.00 0.00 C ATOM 1689 O ASP A 110 -2.625 -12.048 -4.882 1.00 0.00 O ATOM 1690 CB ASP A 110 -5.016 -13.798 -6.875 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.607 -15.166 -7.157 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -4.857 -16.054 -7.615 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -6.820 -15.349 -6.920 1.00 0.00 O ATOM 0 H ASP A 110 -4.565 -12.764 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.523 -14.764 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.823 -13.094 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.498 -13.440 -7.765 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.614 -12.438 -7.095 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.656 -11.387 -7.380 1.00 0.00 C ATOM 1700 C ARG A 111 -2.358 -10.144 -7.916 1.00 0.00 C ATOM 1701 O ARG A 111 -1.723 -9.266 -8.501 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.612 -11.878 -8.384 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.208 -12.325 -9.707 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.161 -12.965 -10.601 1.00 0.00 C ATOM 1705 NE ARG A 111 0.947 -12.057 -10.883 1.00 0.00 N ATOM 1706 CZ ARG A 111 1.863 -12.280 -11.820 1.00 0.00 C ATOM 1707 NH1 ARG A 111 1.801 -13.377 -12.564 1.00 0.00 N ATOM 1708 NH2 ARG A 111 2.843 -11.408 -12.015 1.00 0.00 N ATOM 0 H ARG A 111 -2.929 -12.956 -7.915 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.153 -11.123 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.106 -11.079 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.059 -12.708 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.014 -13.035 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.649 -11.468 -10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.222 -13.866 -10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.624 -13.274 -11.538 1.00 0.00 H new ATOM 0 HE ARG A 111 1.022 -11.203 -10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.049 -14.051 -12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.505 -13.546 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.895 -10.564 -11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.545 -11.582 -12.735 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.669 -10.076 -7.707 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.431 -8.935 -8.178 1.00 0.00 C ATOM 1724 C GLY A 112 -5.511 -8.509 -7.209 1.00 0.00 C ATOM 1725 O GLY A 112 -6.458 -7.819 -7.589 1.00 0.00 O ATOM 0 H GLY A 112 -4.215 -10.788 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.754 -8.098 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.887 -9.180 -9.138 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.364 -8.918 -5.956 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.318 -8.568 -4.909 1.00 0.00 C ATOM 1731 C VAL A 113 -7.692 -9.175 -5.177 1.00 0.00 C ATOM 1732 O VAL A 113 -8.140 -9.272 -6.320 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.434 -7.042 -4.752 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -6.911 -6.668 -3.359 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.092 -6.388 -5.052 1.00 0.00 C ATOM 0 H VAL A 113 -4.587 -9.497 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.938 -8.986 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.175 -6.678 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.983 -5.583 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.890 -7.111 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.202 -7.041 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.181 -5.307 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.340 -6.765 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.793 -6.623 -6.074 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.344 -9.582 -4.099 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.640 -10.216 -4.273 1.00 0.00 C ATOM 1747 C GLY A 114 -10.741 -9.730 -3.351 1.00 0.00 C ATOM 1748 O GLY A 114 -10.946 -10.320 -2.290 1.00 0.00 O ATOM 0 H GLY A 114 -8.017 -9.491 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.962 -10.065 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.520 -11.290 -4.130 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.449 -8.663 -3.722 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.556 -8.126 -2.925 1.00 0.00 C ATOM 1754 C TRP A 115 -13.426 -9.232 -2.337 1.00 0.00 C ATOM 1755 O TRP A 115 -13.489 -10.340 -2.869 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.429 -7.203 -3.781 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.173 -5.744 -3.555 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.659 -4.849 -4.450 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.426 -5.010 -2.354 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.580 -3.603 -3.874 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.041 -3.679 -2.590 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.941 -5.350 -1.100 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.154 -2.690 -1.621 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -14.052 -4.365 -0.139 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.659 -3.048 -0.404 1.00 0.00 C ATOM 0 H TRP A 115 -11.273 -8.146 -4.583 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.114 -7.565 -2.102 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.261 -7.433 -4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.478 -7.414 -3.572 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.359 -5.085 -5.460 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.234 -2.759 -4.331 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.246 -6.364 -0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.853 -1.673 -1.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.449 -4.615 0.834 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.757 -2.300 0.369 1.00 0.00 H new ATOM 1776 N SER A 116 -14.104 -8.916 -1.236 1.00 0.00 N ATOM 1777 CA SER A 116 -14.977 -9.876 -0.575 1.00 0.00 C ATOM 1778 C SER A 116 -16.445 -9.489 -0.754 1.00 0.00 C ATOM 1779 O SER A 116 -17.324 -10.351 -0.786 1.00 0.00 O ATOM 1780 CB SER A 116 -14.634 -9.962 0.913 1.00 0.00 C ATOM 1781 OG SER A 116 -13.302 -10.402 1.103 1.00 0.00 O ATOM 0 H SER A 116 -14.064 -8.002 -0.785 1.00 0.00 H new ATOM 0 HA SER A 116 -14.821 -10.853 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.768 -8.985 1.377 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.321 -10.647 1.409 1.00 0.00 H new ATOM 0 HG SER A 116 -13.106 -10.447 2.062 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.701 -8.186 -0.873 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.062 -7.682 -1.052 1.00 0.00 C ATOM 1789 C HIS A 117 -18.046 -6.227 -1.523 1.00 0.00 C ATOM 1790 O HIS A 117 -17.340 -5.393 -0.955 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.850 -7.795 0.254 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.304 -7.460 0.113 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.201 -8.265 -0.557 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.017 -6.400 0.564 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.401 -7.714 -0.514 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.316 -6.583 0.161 1.00 0.00 N ATOM 0 H HIS A 117 -15.984 -7.461 -0.849 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.548 -8.290 -1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.756 -8.811 0.638 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.404 -7.132 0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.634 -5.566 1.134 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.299 -8.120 -0.956 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.091 -5.948 0.352 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.829 -5.903 -2.570 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.911 -4.561 -3.119 1.00 0.00 C ATOM 1807 C PRO A 118 -20.093 -3.776 -2.560 1.00 0.00 C ATOM 1808 O PRO A 118 -20.499 -3.981 -1.415 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.101 -4.843 -4.608 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.828 -6.155 -4.672 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.699 -6.818 -3.317 1.00 0.00 C ATOM 0 HA PRO A 118 -18.041 -3.948 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.675 -4.051 -5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.142 -4.899 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.877 -5.999 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.404 -6.790 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.669 -6.935 -2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.261 -7.813 -3.397 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.632 -2.869 -3.373 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.766 -2.047 -2.979 1.00 0.00 C ATOM 1821 C LEU A 119 -22.828 -2.860 -2.237 1.00 0.00 C ATOM 1822 O LEU A 119 -23.075 -4.021 -2.562 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.397 -1.396 -4.212 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.426 -0.904 -5.291 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.226 -0.212 -4.666 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.992 -2.049 -6.196 1.00 0.00 C ATOM 0 H LEU A 119 -20.294 -2.687 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.392 -1.279 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.079 -2.114 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.999 -0.550 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.948 -0.173 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.552 0.128 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.563 0.644 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.701 -0.911 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.303 -1.674 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.495 -2.815 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.867 -2.480 -6.683 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.470 -2.246 -1.226 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.514 -2.883 -0.429 1.00 0.00 C ATOM 1840 C PRO A 120 -25.893 -2.748 -1.075 1.00 0.00 C ATOM 1841 O PRO A 120 -26.050 -2.984 -2.274 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.467 -2.112 0.902 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.479 -0.997 0.713 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.224 -0.882 -0.761 1.00 0.00 C ATOM 0 HA PRO A 120 -24.351 -3.955 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.451 -1.719 1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.162 -2.766 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -23.873 -0.061 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.554 -1.207 1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.893 -0.164 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.205 -0.557 -0.974 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.891 -2.372 -0.276 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.248 -2.208 -0.783 1.00 0.00 C ATOM 1854 C GLN A 121 -28.917 -0.981 -0.175 1.00 0.00 C ATOM 1855 O GLN A 121 -29.155 -0.931 1.031 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.089 -3.449 -0.472 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.321 -3.585 -1.353 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.107 -4.849 -1.064 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.855 -5.900 -1.655 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -32.070 -4.753 -0.153 1.00 0.00 N ATOM 0 H GLN A 121 -26.784 -2.177 0.719 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.183 -2.074 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.468 -4.337 -0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.401 -3.414 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.966 -2.719 -1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.017 -3.582 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -32.245 -3.862 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -32.634 -5.570 0.081 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.218 0.008 -1.011 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.881 1.211 -0.527 1.00 0.00 C ATOM 1871 C CYS A 122 -31.378 1.116 -0.813 1.00 0.00 C ATOM 1872 O CYS A 122 -31.812 1.245 -1.956 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.290 2.467 -1.173 1.00 0.00 C ATOM 1874 SG CYS A 122 -27.603 2.883 -0.609 1.00 0.00 S ATOM 0 H CYS A 122 -29.017 0.001 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.722 1.289 0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.275 2.332 -2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -29.948 3.311 -0.966 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.157 0.888 0.240 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.605 0.754 0.110 1.00 0.00 C ATOM 1881 C GLU A 123 -34.311 1.825 0.926 1.00 0.00 C ATOM 1882 O GLU A 123 -33.856 2.223 1.999 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.056 -0.630 0.576 1.00 0.00 C ATOM 1884 CG GLU A 123 -33.390 -1.772 -0.171 1.00 0.00 C ATOM 1885 CD GLU A 123 -33.618 -1.704 -1.668 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -34.702 -2.127 -2.123 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -32.712 -1.231 -2.386 1.00 0.00 O ATOM 0 H GLU A 123 -31.810 0.792 1.194 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.867 0.877 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.845 -0.732 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -35.136 -0.710 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -32.319 -1.757 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -33.772 -2.720 0.208 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.434 2.284 0.386 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.224 3.329 1.019 1.00 0.00 C ATOM 1896 C ILE A 124 -36.775 2.878 2.367 1.00 0.00 C ATOM 1897 O ILE A 124 -37.093 1.705 2.561 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.388 3.772 0.109 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.009 5.066 0.635 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.439 2.672 0.012 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.037 5.672 -0.297 1.00 0.00 C ATOM 0 H ILE A 124 -35.819 1.945 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.557 4.175 1.183 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.996 3.958 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.478 4.868 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.217 5.794 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.253 3.002 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.987 1.772 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.830 2.454 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.433 6.587 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.569 5.903 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.850 4.963 -0.453 1.00 0.00 H new ATOM 1913 N LEU A 125 -36.878 3.822 3.296 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.389 3.535 4.631 1.00 0.00 C ATOM 1915 C LEU A 125 -38.900 3.323 4.602 1.00 0.00 C ATOM 1916 O LEU A 125 -39.411 2.360 5.175 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.038 4.678 5.586 1.00 0.00 C ATOM 1918 CG LEU A 125 -35.540 4.886 5.824 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -35.279 6.267 6.403 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -34.994 3.808 6.748 1.00 0.00 C ATOM 0 H LEU A 125 -36.613 4.796 3.148 1.00 0.00 H new ATOM 0 HA LEU A 125 -36.921 2.617 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -37.460 5.603 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -37.520 4.491 6.545 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.025 4.812 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -34.209 6.397 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -35.635 7.027 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -35.805 6.369 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -33.928 3.971 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -35.514 3.851 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.148 2.828 6.295 1.00 0.00 H new ATOM 1932 N GLU A 126 -39.610 4.226 3.930 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.063 4.133 3.828 1.00 0.00 C ATOM 1934 C GLU A 126 -41.551 4.623 2.466 1.00 0.00 C ATOM 1935 O GLU A 126 -41.724 3.834 1.538 1.00 0.00 O ATOM 1936 CB GLU A 126 -41.731 4.944 4.942 1.00 0.00 C ATOM 1937 CG GLU A 126 -41.416 4.438 6.340 1.00 0.00 C ATOM 1938 CD GLU A 126 -42.128 5.230 7.420 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.280 4.880 7.752 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -41.532 6.200 7.934 1.00 0.00 O ATOM 0 H GLU A 126 -39.203 5.028 3.449 1.00 0.00 H new ATOM 0 HA GLU A 126 -41.338 3.084 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.414 5.984 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -42.811 4.927 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -41.702 3.389 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -40.340 4.488 6.507 1.00 0.00 H new ATOM 1947 N HIS A 127 -41.771 5.931 2.355 1.00 0.00 N ATOM 1948 CA HIS A 127 -42.240 6.528 1.109 1.00 0.00 C ATOM 1949 C HIS A 127 -41.542 7.859 0.847 1.00 0.00 C ATOM 1950 O HIS A 127 -41.012 8.484 1.765 1.00 0.00 O ATOM 1951 CB HIS A 127 -43.756 6.737 1.157 1.00 0.00 C ATOM 1952 CG HIS A 127 -44.541 5.463 1.142 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -45.105 4.940 -0.003 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -44.861 4.605 2.140 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -45.737 3.818 0.291 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -45.604 3.592 1.584 1.00 0.00 N ATOM 0 H HIS A 127 -41.632 6.598 3.114 1.00 0.00 H new ATOM 0 HA HIS A 127 -41.999 5.844 0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -44.008 7.298 2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -44.056 7.348 0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -44.584 4.700 3.179 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -46.272 3.192 -0.408 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -45.990 2.794 2.089 1.00 0.00 H new ATOM 1965 N HIS A 128 -41.548 8.287 -0.413 1.00 0.00 N ATOM 1966 CA HIS A 128 -40.919 9.546 -0.796 1.00 0.00 C ATOM 1967 C HIS A 128 -41.600 10.142 -2.024 1.00 0.00 C ATOM 1968 O HIS A 128 -41.813 11.352 -2.100 1.00 0.00 O ATOM 1969 CB HIS A 128 -39.429 9.335 -1.074 1.00 0.00 C ATOM 1970 CG HIS A 128 -38.690 10.604 -1.361 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -38.325 10.993 -2.633 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -38.245 11.577 -0.531 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -37.688 12.149 -2.572 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -37.626 12.525 -1.309 1.00 0.00 N ATOM 0 H HIS A 128 -41.981 7.780 -1.185 1.00 0.00 H new ATOM 0 HA HIS A 128 -41.029 10.245 0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -38.973 8.845 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -39.318 8.659 -1.922 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -38.356 11.603 0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -37.286 12.694 -3.414 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -37.189 13.381 -0.966 1.00 0.00 H new ATOM 1983 N HIS A 129 -41.935 9.285 -2.983 1.00 0.00 N ATOM 1984 CA HIS A 129 -42.591 9.729 -4.209 1.00 0.00 C ATOM 1985 C HIS A 129 -44.086 9.931 -3.986 1.00 0.00 C ATOM 1986 O HIS A 129 -44.740 9.129 -3.319 1.00 0.00 O ATOM 1987 CB HIS A 129 -42.368 8.715 -5.333 1.00 0.00 C ATOM 1988 CG HIS A 129 -40.933 8.554 -5.722 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -40.368 9.202 -6.800 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -39.942 7.810 -5.173 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -39.095 8.864 -6.899 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -38.811 8.021 -5.923 1.00 0.00 N ATOM 0 H HIS A 129 -41.764 8.281 -2.936 1.00 0.00 H new ATOM 0 HA HIS A 129 -42.150 10.684 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -42.761 7.748 -5.021 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -42.940 9.024 -6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -40.026 7.170 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -38.404 9.217 -7.650 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -37.900 7.596 -5.754 1.00 0.00 H new ATOM 2001 N HIS A 130 -44.619 11.011 -4.548 1.00 0.00 N ATOM 2002 CA HIS A 130 -46.039 11.322 -4.420 1.00 0.00 C ATOM 2003 C HIS A 130 -46.874 10.413 -5.315 1.00 0.00 C ATOM 2004 O HIS A 130 -47.971 9.996 -4.944 1.00 0.00 O ATOM 2005 CB HIS A 130 -46.290 12.789 -4.778 1.00 0.00 C ATOM 2006 CG HIS A 130 -47.738 13.171 -4.784 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -48.377 13.722 -3.692 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -48.674 13.084 -5.759 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -49.642 13.956 -3.996 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -49.845 13.579 -5.244 1.00 0.00 N ATOM 0 H HIS A 130 -44.088 11.687 -5.097 1.00 0.00 H new ATOM 0 HA HIS A 130 -46.337 11.152 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -45.760 13.423 -4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -45.867 12.991 -5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -48.526 12.697 -6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -50.383 14.383 -3.336 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -50.731 13.645 -5.745 1.00 0.00 H new ATOM 2019 N HIS A 131 -46.345 10.110 -6.497 1.00 0.00 N ATOM 2020 CA HIS A 131 -47.038 9.252 -7.451 1.00 0.00 C ATOM 2021 C HIS A 131 -47.127 7.819 -6.933 1.00 0.00 C ATOM 2022 O HIS A 131 -48.200 7.355 -6.544 1.00 0.00 O ATOM 2023 CB HIS A 131 -46.319 9.274 -8.800 1.00 0.00 C ATOM 2024 CG HIS A 131 -46.154 10.649 -9.370 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -46.952 11.146 -10.380 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -45.274 11.633 -9.070 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -46.570 12.375 -10.677 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -45.554 12.694 -9.896 1.00 0.00 N ATOM 0 H HIS A 131 -45.437 10.447 -6.817 1.00 0.00 H new ATOM 0 HA HIS A 131 -48.050 9.635 -7.578 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -45.336 8.817 -8.686 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -46.875 8.660 -9.509 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -44.497 11.591 -8.321 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -47.013 13.010 -11.430 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -45.057 13.585 -9.905 1.00 0.00 H new ATOM 2037 N HIS A 132 -45.994 7.126 -6.931 1.00 0.00 N ATOM 2038 CA HIS A 132 -45.941 5.746 -6.461 1.00 0.00 C ATOM 2039 C HIS A 132 -44.868 5.576 -5.389 1.00 0.00 C ATOM 2040 O HIS A 132 -43.700 5.331 -5.756 1.00 0.00 O ATOM 2041 CB HIS A 132 -45.669 4.797 -7.629 1.00 0.00 C ATOM 2042 CG HIS A 132 -46.748 4.797 -8.667 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -47.747 3.847 -8.713 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -46.982 5.638 -9.702 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -48.548 4.103 -9.731 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -48.106 5.183 -10.348 1.00 0.00 N ATOM 2047 OXT HIS A 132 -45.205 5.689 -4.192 1.00 0.00 O ATOM 0 H HIS A 132 -45.099 7.497 -7.250 1.00 0.00 H new ATOM 0 HA HIS A 132 -46.908 5.501 -6.022 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -44.725 5.074 -8.099 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -45.548 3.785 -7.243 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -46.395 6.504 -9.970 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -49.417 3.527 -10.011 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -48.530 5.611 -11.171 1.00 0.00 H new TER 2056 HIS A 132