USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 160 SER OG : rot 180:sc= 0.908 USER MOD Set 1.2: A 163 SER OG : rot 72:sc= 1.07 USER MOD Set 2.1: A 107 CYS SG : rot -160:sc= -0.0147 USER MOD Set 2.2: A 134 CYS SG : rot 180:sc= -1.62 USER MOD Set 2.3: A 138 SER OG : rot 80:sc= 0.748 USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 179:sc= 0 (180deg=-0.00286) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 84 HIS : no HD1:sc= -0.971 X(o=-0.97,f=-0.99) USER MOD Single : A 85 HIS : no HE2:sc= 0.136 K(o=0.14,f=-0.77) USER MOD Single : A 86 HIS : no HD1:sc= -0.695 X(o=-0.7,f=-0.68) USER MOD Single : A 87 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0.042) USER MOD Single : A 90 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=-0.04) USER MOD Single : A 91 HIS : no HE2:sc= 0.524 K(o=0.52,f=-1.7!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.0327 X(o=-0.033,f=-0.41) USER MOD Single : A 101 MET CE :methyl -156:sc= -0.51 (180deg=-2.14!) USER MOD Single : A 106 TYR OH : rot -1:sc= 1.24 USER MOD Single : A 113 SER OG : rot 180:sc=0.000724 USER MOD Single : A 116 THR OG1 : rot 29:sc= 0.0132 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.3!) USER MOD Single : A 145 SER OG : rot -27:sc= 0.575 USER MOD Single : A 146 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 149 TYR OH : rot 20:sc= 1.23 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 158 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.7!) USER MOD Single : A 164 TYR OH : rot 162:sc= 1.06 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 8.826 -13.743 0.130 1.00 25.00 N ATOM 2 CA MET A 80 8.486 -12.380 -0.348 1.00 25.00 C ATOM 3 C MET A 80 9.591 -11.359 -0.089 1.00 25.00 C ATOM 4 O MET A 80 10.222 -11.327 0.945 1.00 25.00 O ATOM 5 CB MET A 80 7.163 -11.950 0.326 1.00 25.00 C ATOM 6 CG MET A 80 6.647 -10.596 -0.207 1.00 25.00 C ATOM 7 SD MET A 80 6.371 -10.591 -2.014 1.00 25.00 S ATOM 8 CE MET A 80 4.860 -11.608 -2.140 1.00 25.00 C ATOM 0 HA MET A 80 8.373 -12.413 -1.432 1.00 25.00 H new ATOM 0 HB2 MET A 80 6.406 -12.716 0.158 1.00 25.00 H new ATOM 0 HB3 MET A 80 7.312 -11.881 1.403 1.00 25.00 H new ATOM 0 HG2 MET A 80 5.713 -10.346 0.297 1.00 25.00 H new ATOM 0 HG3 MET A 80 7.365 -9.816 0.047 1.00 25.00 H new ATOM 0 HE1 MET A 80 4.557 -11.681 -3.184 1.00 25.00 H new ATOM 0 HE2 MET A 80 5.059 -12.606 -1.749 1.00 25.00 H new ATOM 0 HE3 MET A 80 4.060 -11.145 -1.562 1.00 25.00 H new ATOM 18 N GLY A 81 9.852 -10.514 -1.097 1.00 25.00 N ATOM 19 CA GLY A 81 10.909 -9.519 -1.022 1.00 25.00 C ATOM 20 C GLY A 81 12.244 -10.084 -1.471 1.00 25.00 C ATOM 21 O GLY A 81 12.304 -11.167 -2.049 1.00 25.00 O ATOM 0 H GLY A 81 9.336 -10.508 -1.977 1.00 25.00 H new ATOM 0 HA2 GLY A 81 10.648 -8.663 -1.645 1.00 25.00 H new ATOM 0 HA3 GLY A 81 10.994 -9.154 0.002 1.00 25.00 H new ATOM 25 N HIS A 82 13.312 -9.337 -1.232 1.00 25.00 N ATOM 26 CA HIS A 82 14.657 -9.743 -1.625 1.00 25.00 C ATOM 27 C HIS A 82 15.627 -9.090 -0.647 1.00 25.00 C ATOM 28 O HIS A 82 15.403 -7.951 -0.243 1.00 25.00 O ATOM 29 CB HIS A 82 14.944 -9.264 -3.051 1.00 25.00 C ATOM 30 CG HIS A 82 16.202 -9.825 -3.633 1.00 25.00 C ATOM 31 ND1 HIS A 82 16.300 -11.068 -4.205 1.00 25.00 N ATOM 32 CD2 HIS A 82 17.449 -9.290 -3.735 1.00 25.00 C ATOM 33 CE1 HIS A 82 17.552 -11.237 -4.620 1.00 25.00 C ATOM 34 NE2 HIS A 82 18.295 -10.180 -4.365 1.00 25.00 N ATOM 0 H HIS A 82 13.273 -8.433 -0.761 1.00 25.00 H new ATOM 0 HA HIS A 82 14.762 -10.828 -1.604 1.00 25.00 H new ATOM 0 HB2 HIS A 82 14.105 -9.536 -3.692 1.00 25.00 H new ATOM 0 HB3 HIS A 82 15.007 -8.176 -3.053 1.00 25.00 H new ATOM 0 HD2 HIS A 82 17.735 -8.312 -3.376 1.00 25.00 H new ATOM 0 HE1 HIS A 82 17.915 -12.131 -5.106 1.00 25.00 H new ATOM 0 HE2 HIS A 82 19.282 -10.048 -4.585 1.00 25.00 H new ATOM 42 N HIS A 83 16.672 -9.801 -0.244 1.00 25.00 N ATOM 43 CA HIS A 83 17.628 -9.277 0.729 1.00 25.00 C ATOM 44 C HIS A 83 18.974 -9.984 0.595 1.00 25.00 C ATOM 45 O HIS A 83 19.048 -11.065 0.016 1.00 25.00 O ATOM 46 CB HIS A 83 17.085 -9.482 2.153 1.00 25.00 C ATOM 47 CG HIS A 83 16.871 -10.921 2.515 1.00 25.00 C ATOM 48 ND1 HIS A 83 17.820 -11.729 3.090 1.00 25.00 N ATOM 49 CD2 HIS A 83 15.770 -11.713 2.379 1.00 25.00 C ATOM 50 CE1 HIS A 83 17.290 -12.936 3.264 1.00 25.00 C ATOM 51 NE2 HIS A 83 16.042 -12.983 2.848 1.00 25.00 N ATOM 0 H HIS A 83 16.881 -10.743 -0.575 1.00 25.00 H new ATOM 0 HA HIS A 83 17.768 -8.213 0.537 1.00 25.00 H new ATOM 0 HB2 HIS A 83 17.780 -9.037 2.865 1.00 25.00 H new ATOM 0 HB3 HIS A 83 16.141 -8.947 2.253 1.00 25.00 H new ATOM 0 HD2 HIS A 83 14.825 -11.394 1.966 1.00 25.00 H new ATOM 0 HE1 HIS A 83 17.818 -13.774 3.694 1.00 25.00 H new ATOM 0 HE2 HIS A 83 15.412 -13.785 2.868 1.00 25.00 H new ATOM 59 N HIS A 84 20.001 -9.380 1.199 1.00 25.00 N ATOM 60 CA HIS A 84 21.372 -9.922 1.260 1.00 25.00 C ATOM 61 C HIS A 84 22.050 -10.066 -0.120 1.00 25.00 C ATOM 62 O HIS A 84 21.440 -9.815 -1.149 1.00 25.00 O ATOM 63 CB HIS A 84 21.365 -11.264 2.025 1.00 25.00 C ATOM 64 CG HIS A 84 22.703 -11.663 2.564 1.00 25.00 C ATOM 65 ND1 HIS A 84 23.412 -12.760 2.143 1.00 25.00 N ATOM 66 CD2 HIS A 84 23.483 -11.085 3.521 1.00 25.00 C ATOM 67 CE1 HIS A 84 24.552 -12.806 2.824 1.00 25.00 C ATOM 68 NE2 HIS A 84 24.650 -11.805 3.673 1.00 25.00 N ATOM 0 H HIS A 84 19.906 -8.481 1.671 1.00 25.00 H new ATOM 0 HA HIS A 84 21.978 -9.194 1.799 1.00 25.00 H new ATOM 0 HB2 HIS A 84 20.657 -11.196 2.851 1.00 25.00 H new ATOM 0 HB3 HIS A 84 21.004 -12.048 1.360 1.00 25.00 H new ATOM 0 HD2 HIS A 84 23.226 -10.196 4.077 1.00 25.00 H new ATOM 0 HE1 HIS A 84 25.305 -13.570 2.697 1.00 25.00 H new ATOM 0 HE2 HIS A 84 25.423 -11.605 4.307 1.00 25.00 H new ATOM 76 N HIS A 85 23.334 -10.428 -0.105 1.00 25.00 N ATOM 77 CA HIS A 85 24.136 -10.663 -1.318 1.00 25.00 C ATOM 78 C HIS A 85 24.065 -9.514 -2.344 1.00 25.00 C ATOM 79 O HIS A 85 23.993 -9.734 -3.554 1.00 25.00 O ATOM 80 CB HIS A 85 23.714 -11.998 -1.954 1.00 25.00 C ATOM 81 CG HIS A 85 24.825 -12.693 -2.680 1.00 25.00 C ATOM 82 ND1 HIS A 85 25.347 -12.273 -3.874 1.00 25.00 N ATOM 83 CD2 HIS A 85 25.537 -13.809 -2.357 1.00 25.00 C ATOM 84 CE1 HIS A 85 26.318 -13.110 -4.225 1.00 25.00 C ATOM 85 NE2 HIS A 85 26.477 -14.067 -3.334 1.00 25.00 N ATOM 0 H HIS A 85 23.858 -10.569 0.759 1.00 25.00 H new ATOM 0 HA HIS A 85 25.181 -10.707 -1.010 1.00 25.00 H new ATOM 0 HB2 HIS A 85 23.332 -12.657 -1.175 1.00 25.00 H new ATOM 0 HB3 HIS A 85 22.894 -11.817 -2.649 1.00 25.00 H new ATOM 0 HD1 HIS A 85 25.042 -11.457 -4.404 1.00 25.00 H new ATOM 0 HD2 HIS A 85 25.388 -14.404 -1.468 1.00 25.00 H new ATOM 0 HE1 HIS A 85 26.903 -13.017 -5.128 1.00 25.00 H new ATOM 93 N HIS A 86 24.084 -8.285 -1.851 1.00 25.00 N ATOM 94 CA HIS A 86 23.970 -7.116 -2.717 1.00 25.00 C ATOM 95 C HIS A 86 25.340 -6.504 -3.018 1.00 25.00 C ATOM 96 O HIS A 86 26.354 -6.895 -2.439 1.00 25.00 O ATOM 97 CB HIS A 86 23.048 -6.079 -2.067 1.00 25.00 C ATOM 98 CG HIS A 86 22.485 -5.088 -3.039 1.00 25.00 C ATOM 99 ND1 HIS A 86 21.583 -5.401 -4.024 1.00 25.00 N ATOM 100 CD2 HIS A 86 22.726 -3.755 -3.190 1.00 25.00 C ATOM 101 CE1 HIS A 86 21.316 -4.295 -4.711 1.00 25.00 C ATOM 102 NE2 HIS A 86 21.992 -3.263 -4.251 1.00 25.00 N ATOM 0 H HIS A 86 24.177 -8.069 -0.858 1.00 25.00 H new ATOM 0 HA HIS A 86 23.540 -7.435 -3.667 1.00 25.00 H new ATOM 0 HB2 HIS A 86 22.227 -6.595 -1.570 1.00 25.00 H new ATOM 0 HB3 HIS A 86 23.602 -5.545 -1.295 1.00 25.00 H new ATOM 0 HD2 HIS A 86 23.392 -3.171 -2.572 1.00 25.00 H new ATOM 0 HE1 HIS A 86 20.630 -4.249 -5.543 1.00 25.00 H new ATOM 0 HE2 HIS A 86 21.977 -2.306 -4.603 1.00 25.00 H new ATOM 110 N HIS A 87 25.356 -5.554 -3.939 1.00 25.00 N ATOM 111 CA HIS A 87 26.570 -4.851 -4.331 1.00 25.00 C ATOM 112 C HIS A 87 27.024 -3.914 -3.212 1.00 25.00 C ATOM 113 O HIS A 87 26.231 -3.547 -2.350 1.00 25.00 O ATOM 114 CB HIS A 87 26.283 -4.030 -5.588 1.00 25.00 C ATOM 115 CG HIS A 87 25.469 -4.767 -6.607 1.00 25.00 C ATOM 116 ND1 HIS A 87 25.931 -5.815 -7.364 1.00 25.00 N ATOM 117 CD2 HIS A 87 24.172 -4.600 -6.989 1.00 25.00 C ATOM 118 CE1 HIS A 87 24.936 -6.234 -8.142 1.00 25.00 C ATOM 119 NE2 HIS A 87 23.840 -5.530 -7.955 1.00 25.00 N ATOM 0 H HIS A 87 24.522 -5.246 -4.440 1.00 25.00 H new ATOM 0 HA HIS A 87 27.359 -5.578 -4.526 1.00 25.00 H new ATOM 0 HB2 HIS A 87 25.758 -3.118 -5.305 1.00 25.00 H new ATOM 0 HB3 HIS A 87 27.228 -3.727 -6.039 1.00 25.00 H new ATOM 0 HD2 HIS A 87 23.502 -3.851 -6.595 1.00 25.00 H new ATOM 0 HE1 HIS A 87 25.018 -7.052 -8.842 1.00 25.00 H new ATOM 0 HE2 HIS A 87 22.941 -5.646 -8.422 1.00 25.00 H new ATOM 127 N HIS A 88 28.285 -3.500 -3.260 1.00 25.00 N ATOM 128 CA HIS A 88 28.831 -2.574 -2.264 1.00 25.00 C ATOM 129 C HIS A 88 29.210 -1.240 -2.916 1.00 25.00 C ATOM 130 O HIS A 88 28.491 -0.258 -2.798 1.00 25.00 O ATOM 131 CB HIS A 88 30.050 -3.202 -1.573 1.00 25.00 C ATOM 132 CG HIS A 88 29.718 -4.414 -0.759 1.00 25.00 C ATOM 133 ND1 HIS A 88 29.744 -5.702 -1.233 1.00 25.00 N ATOM 134 CD2 HIS A 88 29.329 -4.527 0.542 1.00 25.00 C ATOM 135 CE1 HIS A 88 29.378 -6.516 -0.247 1.00 25.00 C ATOM 136 NE2 HIS A 88 29.120 -5.853 0.861 1.00 25.00 N ATOM 0 H HIS A 88 28.952 -3.789 -3.976 1.00 25.00 H new ATOM 0 HA HIS A 88 28.065 -2.379 -1.513 1.00 25.00 H new ATOM 0 HB2 HIS A 88 30.787 -3.473 -2.329 1.00 25.00 H new ATOM 0 HB3 HIS A 88 30.515 -2.457 -0.927 1.00 25.00 H new ATOM 0 HD2 HIS A 88 29.203 -3.699 1.224 1.00 25.00 H new ATOM 0 HE1 HIS A 88 29.302 -7.589 -0.343 1.00 25.00 H new ATOM 0 HE2 HIS A 88 28.829 -6.237 1.760 1.00 25.00 H new ATOM 144 N HIS A 89 30.336 -1.219 -3.615 1.00 25.00 N ATOM 145 CA HIS A 89 30.815 -0.028 -4.308 1.00 25.00 C ATOM 146 C HIS A 89 31.761 -0.525 -5.391 1.00 25.00 C ATOM 147 O HIS A 89 32.038 -1.723 -5.456 1.00 25.00 O ATOM 148 CB HIS A 89 31.548 0.910 -3.334 1.00 25.00 C ATOM 149 CG HIS A 89 32.543 0.211 -2.458 1.00 25.00 C ATOM 150 ND1 HIS A 89 32.315 -0.114 -1.144 1.00 25.00 N ATOM 151 CD2 HIS A 89 33.807 -0.226 -2.716 1.00 25.00 C ATOM 152 CE1 HIS A 89 33.401 -0.717 -0.671 1.00 25.00 C ATOM 153 NE2 HIS A 89 34.339 -0.818 -1.588 1.00 25.00 N ATOM 0 H HIS A 89 30.946 -2.030 -3.719 1.00 25.00 H new ATOM 0 HA HIS A 89 29.990 0.543 -4.733 1.00 25.00 H new ATOM 0 HB2 HIS A 89 32.061 1.684 -3.905 1.00 25.00 H new ATOM 0 HB3 HIS A 89 30.813 1.412 -2.705 1.00 25.00 H new ATOM 0 HD2 HIS A 89 34.317 -0.124 -3.662 1.00 25.00 H new ATOM 0 HE1 HIS A 89 33.501 -1.079 0.341 1.00 25.00 H new ATOM 0 HE2 HIS A 89 35.261 -1.242 -1.487 1.00 25.00 H new ATOM 161 N HIS A 90 32.258 0.378 -6.224 1.00 25.00 N ATOM 162 CA HIS A 90 33.234 0.023 -7.249 1.00 25.00 C ATOM 163 C HIS A 90 34.619 0.267 -6.665 1.00 25.00 C ATOM 164 O HIS A 90 34.744 0.880 -5.609 1.00 25.00 O ATOM 165 CB HIS A 90 33.036 0.873 -8.511 1.00 0.00 C ATOM 166 CG HIS A 90 33.380 2.321 -8.325 1.00 25.00 C ATOM 167 ND1 HIS A 90 32.484 3.291 -7.946 1.00 25.00 N ATOM 168 CD2 HIS A 90 34.564 2.978 -8.484 1.00 25.00 C ATOM 169 CE1 HIS A 90 33.133 4.452 -7.880 1.00 25.00 C ATOM 170 NE2 HIS A 90 34.403 4.318 -8.199 1.00 25.00 N ATOM 0 H HIS A 90 32.002 1.365 -6.211 1.00 25.00 H new ATOM 0 HA HIS A 90 33.112 -1.021 -7.536 1.00 25.00 H new ATOM 0 HB2 HIS A 90 33.649 0.464 -9.314 1.00 0.00 H new ATOM 0 HB3 HIS A 90 31.997 0.794 -8.832 1.00 0.00 H new ATOM 0 HD2 HIS A 90 35.492 2.517 -8.788 1.00 25.00 H new ATOM 0 HE1 HIS A 90 32.674 5.388 -7.599 1.00 25.00 H new ATOM 0 HE2 HIS A 90 35.115 5.048 -8.229 1.00 25.00 H new ATOM 178 N HIS A 91 35.652 -0.182 -7.359 1.00 25.00 N ATOM 179 CA HIS A 91 37.027 0.029 -6.927 1.00 25.00 C ATOM 180 C HIS A 91 37.827 0.356 -8.177 1.00 25.00 C ATOM 181 O HIS A 91 37.376 0.063 -9.282 1.00 25.00 O ATOM 182 CB HIS A 91 37.568 -1.231 -6.244 1.00 25.00 C ATOM 183 CG HIS A 91 38.633 -0.954 -5.228 1.00 25.00 C ATOM 184 ND1 HIS A 91 39.968 -0.799 -5.514 1.00 25.00 N ATOM 185 CD2 HIS A 91 38.543 -0.794 -3.879 1.00 25.00 C ATOM 186 CE1 HIS A 91 40.611 -0.558 -4.376 1.00 25.00 C ATOM 187 NE2 HIS A 91 39.790 -0.540 -3.348 1.00 25.00 N ATOM 0 H HIS A 91 35.564 -0.700 -8.233 1.00 25.00 H new ATOM 0 HA HIS A 91 37.096 0.840 -6.202 1.00 25.00 H new ATOM 0 HB2 HIS A 91 36.743 -1.754 -5.760 1.00 25.00 H new ATOM 0 HB3 HIS A 91 37.969 -1.902 -7.004 1.00 25.00 H new ATOM 0 HD1 HIS A 91 40.392 -0.859 -6.440 1.00 25.00 H new ATOM 0 HD2 HIS A 91 37.628 -0.857 -3.308 1.00 25.00 H new ATOM 0 HE1 HIS A 91 41.676 -0.397 -4.304 1.00 25.00 H new ATOM 195 N SER A 92 38.992 0.960 -8.005 1.00 25.00 N ATOM 196 CA SER A 92 39.860 1.317 -9.127 1.00 25.00 C ATOM 197 C SER A 92 41.256 0.763 -8.851 1.00 25.00 C ATOM 198 O SER A 92 41.461 0.071 -7.852 1.00 25.00 O ATOM 199 CB SER A 92 39.906 2.841 -9.292 1.00 25.00 C ATOM 200 OG SER A 92 40.444 3.201 -10.556 1.00 25.00 O ATOM 0 H SER A 92 39.365 1.217 -7.091 1.00 25.00 H new ATOM 0 HA SER A 92 39.473 0.891 -10.053 1.00 25.00 H new ATOM 0 HB2 SER A 92 38.901 3.252 -9.190 1.00 25.00 H new ATOM 0 HB3 SER A 92 40.511 3.278 -8.498 1.00 25.00 H new ATOM 0 HG SER A 92 40.461 4.177 -10.638 1.00 25.00 H new ATOM 206 N SER A 93 42.205 1.086 -9.714 1.00 25.00 N ATOM 207 CA SER A 93 43.594 0.667 -9.561 1.00 25.00 C ATOM 208 C SER A 93 44.463 1.868 -9.908 1.00 25.00 C ATOM 209 O SER A 93 43.985 2.812 -10.531 1.00 25.00 O ATOM 210 CB SER A 93 43.899 -0.510 -10.491 1.00 25.00 C ATOM 211 OG SER A 93 43.603 -0.174 -11.838 1.00 25.00 O ATOM 0 H SER A 93 42.035 1.650 -10.547 1.00 25.00 H new ATOM 0 HA SER A 93 43.791 0.334 -8.542 1.00 25.00 H new ATOM 0 HB2 SER A 93 44.949 -0.787 -10.402 1.00 25.00 H new ATOM 0 HB3 SER A 93 43.313 -1.379 -10.190 1.00 25.00 H new ATOM 0 HG SER A 93 43.806 -0.938 -12.418 1.00 25.00 H new ATOM 217 N GLY A 94 45.718 1.844 -9.493 1.00 25.00 N ATOM 218 CA GLY A 94 46.607 2.972 -9.710 1.00 25.00 C ATOM 219 C GLY A 94 48.000 2.591 -9.268 1.00 25.00 C ATOM 220 O GLY A 94 48.390 1.445 -9.451 1.00 25.00 O ATOM 0 H GLY A 94 46.144 1.056 -9.004 1.00 25.00 H new ATOM 0 HA2 GLY A 94 46.610 3.252 -10.763 1.00 25.00 H new ATOM 0 HA3 GLY A 94 46.258 3.840 -9.150 1.00 25.00 H new ATOM 224 N HIS A 95 48.708 3.531 -8.648 1.00 25.00 N ATOM 225 CA HIS A 95 50.059 3.304 -8.103 1.00 25.00 C ATOM 226 C HIS A 95 51.052 2.854 -9.177 1.00 25.00 C ATOM 227 O HIS A 95 51.854 1.950 -8.969 1.00 25.00 O ATOM 228 CB HIS A 95 50.016 2.295 -6.944 1.00 25.00 C ATOM 229 CG HIS A 95 48.950 2.592 -5.936 1.00 25.00 C ATOM 230 ND1 HIS A 95 49.039 3.571 -4.978 1.00 25.00 N ATOM 231 CD2 HIS A 95 47.731 2.015 -5.741 1.00 25.00 C ATOM 232 CE1 HIS A 95 47.913 3.560 -4.268 1.00 25.00 C ATOM 233 NE2 HIS A 95 47.077 2.635 -4.695 1.00 25.00 N ATOM 0 H HIS A 95 48.365 4.481 -8.505 1.00 25.00 H new ATOM 0 HA HIS A 95 50.414 4.261 -7.721 1.00 25.00 H new ATOM 0 HB2 HIS A 95 49.855 1.296 -7.348 1.00 25.00 H new ATOM 0 HB3 HIS A 95 50.985 2.285 -6.445 1.00 25.00 H new ATOM 0 HD2 HIS A 95 47.335 1.194 -6.320 1.00 25.00 H new ATOM 0 HE1 HIS A 95 47.710 4.227 -3.443 1.00 25.00 H new ATOM 0 HE2 HIS A 95 46.148 2.423 -4.331 1.00 25.00 H new ATOM 241 N ILE A 96 50.990 3.513 -10.324 1.00 25.00 N ATOM 242 CA ILE A 96 51.945 3.273 -11.401 1.00 25.00 C ATOM 243 C ILE A 96 53.284 3.894 -10.996 1.00 25.00 C ATOM 244 O ILE A 96 53.335 4.742 -10.107 1.00 25.00 O ATOM 245 CB ILE A 96 51.449 3.873 -12.753 1.00 25.00 C ATOM 246 CG1 ILE A 96 51.280 5.407 -12.650 1.00 25.00 C ATOM 247 CG2 ILE A 96 50.109 3.197 -13.165 1.00 25.00 C ATOM 248 CD1 ILE A 96 51.018 6.106 -13.993 1.00 25.00 C ATOM 0 H ILE A 96 50.287 4.221 -10.536 1.00 25.00 H new ATOM 0 HA ILE A 96 52.055 2.199 -11.554 1.00 25.00 H new ATOM 0 HB ILE A 96 52.198 3.675 -13.520 1.00 25.00 H new ATOM 0 HG12 ILE A 96 50.454 5.625 -11.973 1.00 25.00 H new ATOM 0 HG13 ILE A 96 52.179 5.831 -12.203 1.00 25.00 H new ATOM 0 HG21 ILE A 96 49.765 3.618 -14.110 1.00 25.00 H new ATOM 0 HG22 ILE A 96 50.263 2.124 -13.280 1.00 25.00 H new ATOM 0 HG23 ILE A 96 49.360 3.375 -12.394 1.00 25.00 H new ATOM 0 HD11 ILE A 96 50.912 7.179 -13.830 1.00 25.00 H new ATOM 0 HD12 ILE A 96 51.854 5.922 -14.668 1.00 25.00 H new ATOM 0 HD13 ILE A 96 50.102 5.714 -14.435 1.00 25.00 H new ATOM 260 N GLU A 97 54.354 3.459 -11.642 1.00 25.00 N ATOM 261 CA GLU A 97 55.702 3.931 -11.326 1.00 25.00 C ATOM 262 C GLU A 97 56.206 4.920 -12.377 1.00 25.00 C ATOM 263 O GLU A 97 55.680 4.972 -13.494 1.00 25.00 O ATOM 264 CB GLU A 97 56.652 2.730 -11.261 1.00 25.00 C ATOM 265 CG GLU A 97 57.276 2.510 -9.889 1.00 25.00 C ATOM 266 CD GLU A 97 58.387 3.508 -9.598 1.00 25.00 C ATOM 267 OE1 GLU A 97 58.088 4.714 -9.449 1.00 25.00 O ATOM 268 OE2 GLU A 97 59.562 3.092 -9.566 1.00 25.00 O1- ATOM 0 H GLU A 97 54.319 2.773 -12.396 1.00 25.00 H new ATOM 0 HA GLU A 97 55.671 4.444 -10.365 1.00 25.00 H new ATOM 0 HB2 GLU A 97 56.106 1.832 -11.549 1.00 25.00 H new ATOM 0 HB3 GLU A 97 57.448 2.868 -11.993 1.00 25.00 H new ATOM 0 HG2 GLU A 97 56.505 2.593 -9.123 1.00 25.00 H new ATOM 0 HG3 GLU A 97 57.675 1.497 -9.831 1.00 25.00 H new ATOM 275 N GLY A 98 57.246 5.670 -12.037 1.00 25.00 N ATOM 276 CA GLY A 98 57.854 6.606 -12.968 1.00 25.00 C ATOM 277 C GLY A 98 59.287 6.887 -12.564 1.00 25.00 C ATOM 278 O GLY A 98 59.654 6.695 -11.413 1.00 25.00 O ATOM 0 H GLY A 98 57.687 5.646 -11.117 1.00 25.00 H new ATOM 0 HA2 GLY A 98 57.827 6.196 -13.978 1.00 25.00 H new ATOM 0 HA3 GLY A 98 57.284 7.535 -12.986 1.00 25.00 H new ATOM 282 N ARG A 99 60.116 7.314 -13.505 1.00 25.00 N ATOM 283 CA ARG A 99 61.531 7.563 -13.212 1.00 25.00 C ATOM 284 C ARG A 99 61.697 8.889 -12.497 1.00 25.00 C ATOM 285 O ARG A 99 61.391 9.927 -13.052 1.00 25.00 O ATOM 286 CB ARG A 99 62.355 7.598 -14.499 1.00 25.00 C ATOM 287 CG ARG A 99 62.436 6.266 -15.215 1.00 25.00 C ATOM 288 CD ARG A 99 63.316 6.389 -16.443 1.00 25.00 C ATOM 289 NE ARG A 99 63.431 5.110 -17.160 1.00 25.00 N ATOM 290 CZ ARG A 99 64.116 4.923 -18.284 1.00 25.00 C ATOM 291 NH1 ARG A 99 64.761 5.898 -18.878 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 64.150 3.734 -18.818 1.00 25.00 N ATOM 0 H ARG A 99 59.843 7.496 -14.471 1.00 25.00 H new ATOM 0 HA ARG A 99 61.884 6.751 -12.576 1.00 25.00 H new ATOM 0 HB2 ARG A 99 61.923 8.336 -15.175 1.00 25.00 H new ATOM 0 HB3 ARG A 99 63.365 7.934 -14.263 1.00 25.00 H new ATOM 0 HG2 ARG A 99 62.838 5.507 -14.544 1.00 25.00 H new ATOM 0 HG3 ARG A 99 61.438 5.938 -15.505 1.00 25.00 H new ATOM 0 HD2 ARG A 99 62.904 7.145 -17.111 1.00 25.00 H new ATOM 0 HD3 ARG A 99 64.308 6.731 -16.147 1.00 25.00 H new ATOM 0 HE ARG A 99 62.948 4.304 -16.764 1.00 25.00 H new ATOM 0 HH11 ARG A 99 64.747 6.836 -18.478 1.00 25.00 H new ATOM 0 HH12 ARG A 99 65.276 5.718 -19.740 1.00 25.00 H new ATOM 0 HH21 ARG A 99 63.655 2.961 -18.374 1.00 25.00 H new ATOM 0 HH22 ARG A 99 64.672 3.577 -19.680 1.00 25.00 H new ATOM 306 N HIS A 100 62.215 8.842 -11.282 1.00 25.00 N ATOM 307 CA HIS A 100 62.485 10.044 -10.506 1.00 25.00 C ATOM 308 C HIS A 100 63.761 9.798 -9.717 1.00 25.00 C ATOM 309 O HIS A 100 64.201 8.657 -9.588 1.00 25.00 O ATOM 310 CB HIS A 100 61.338 10.328 -9.524 1.00 25.00 C ATOM 311 CG HIS A 100 60.000 10.484 -10.180 1.00 25.00 C ATOM 312 ND1 HIS A 100 59.104 9.460 -10.369 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.390 11.585 -10.702 1.00 25.00 C ATOM 314 CE1 HIS A 100 58.026 9.954 -10.965 1.00 25.00 C ATOM 315 NE2 HIS A 100 58.142 11.248 -11.189 1.00 25.00 N ATOM 0 H HIS A 100 62.460 7.974 -10.805 1.00 25.00 H new ATOM 0 HA HIS A 100 62.584 10.900 -11.173 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.284 9.515 -8.800 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.567 11.237 -8.967 1.00 25.00 H new ATOM 0 HD1 HIS A 100 59.243 8.487 -10.098 1.00 25.00 H new ATOM 0 HD2 HIS A 100 59.819 12.576 -10.731 1.00 25.00 H new ATOM 0 HE1 HIS A 100 57.160 9.368 -11.234 1.00 25.00 H new ATOM 323 N MET A 101 64.321 10.859 -9.164 1.00 25.00 N ATOM 324 CA MET A 101 65.495 10.791 -8.304 1.00 25.00 C ATOM 325 C MET A 101 65.195 11.646 -7.082 1.00 25.00 C ATOM 326 O MET A 101 64.259 12.450 -7.100 1.00 25.00 O ATOM 327 CB MET A 101 66.727 11.364 -9.007 1.00 25.00 C ATOM 328 CG MET A 101 67.076 10.695 -10.324 1.00 25.00 C ATOM 329 SD MET A 101 68.737 11.158 -10.885 1.00 25.00 S ATOM 330 CE MET A 101 68.675 12.984 -10.818 1.00 25.00 C ATOM 0 H MET A 101 63.970 11.807 -9.300 1.00 25.00 H new ATOM 0 HA MET A 101 65.704 9.753 -8.044 1.00 25.00 H new ATOM 0 HB2 MET A 101 66.564 12.427 -9.187 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.582 11.282 -8.336 1.00 25.00 H new ATOM 0 HG2 MET A 101 67.018 9.613 -10.210 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.344 10.976 -11.081 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.413 13.399 -11.504 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.680 13.325 -11.105 1.00 25.00 H new ATOM 0 HE3 MET A 101 68.894 13.319 -9.804 1.00 25.00 H new ATOM 340 N LEU A 102 66.010 11.512 -6.050 1.00 25.00 N ATOM 341 CA LEU A 102 65.881 12.327 -4.846 1.00 25.00 C ATOM 342 C LEU A 102 67.232 12.975 -4.579 1.00 25.00 C ATOM 343 O LEU A 102 68.246 12.284 -4.562 1.00 25.00 O ATOM 344 CB LEU A 102 65.480 11.444 -3.657 1.00 25.00 C ATOM 345 CG LEU A 102 65.167 12.182 -2.343 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.768 12.800 -2.380 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.265 11.215 -1.168 1.00 25.00 C ATOM 0 H LEU A 102 66.777 10.840 -6.019 1.00 25.00 H new ATOM 0 HA LEU A 102 65.113 13.088 -4.981 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.603 10.862 -3.941 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.286 10.735 -3.469 1.00 25.00 H new ATOM 0 HG LEU A 102 65.897 12.983 -2.222 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.573 13.315 -1.439 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.706 13.512 -3.203 1.00 25.00 H new ATOM 0 HD13 LEU A 102 63.027 12.014 -2.524 1.00 25.00 H new ATOM 0 HD21 LEU A 102 65.042 11.744 -0.242 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.549 10.404 -1.304 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.273 10.804 -1.118 1.00 25.00 H new ATOM 359 N LEU A 103 67.251 14.281 -4.361 1.00 25.00 N ATOM 360 CA LEU A 103 68.489 14.999 -4.039 1.00 25.00 C ATOM 361 C LEU A 103 68.306 15.697 -2.714 1.00 25.00 C ATOM 362 O LEU A 103 67.216 16.165 -2.412 1.00 25.00 O ATOM 363 CB LEU A 103 68.816 16.052 -5.103 1.00 25.00 C ATOM 364 CG LEU A 103 69.372 15.546 -6.441 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.541 16.725 -7.384 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.716 14.862 -6.255 1.00 25.00 C ATOM 0 H LEU A 103 66.422 14.874 -4.400 1.00 25.00 H new ATOM 0 HA LEU A 103 69.307 14.280 -4.000 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.908 16.620 -5.307 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.539 16.749 -4.678 1.00 25.00 H new ATOM 0 HG LEU A 103 68.671 14.821 -6.854 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.936 16.375 -8.338 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.575 17.203 -7.545 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.234 17.444 -6.947 1.00 25.00 H new ATOM 0 HD21 LEU A 103 71.084 14.514 -7.220 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.428 15.569 -5.828 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.602 14.012 -5.583 1.00 25.00 H new ATOM 378 N THR A 104 69.370 15.791 -1.937 1.00 25.00 N ATOM 379 CA THR A 104 69.319 16.479 -0.650 1.00 25.00 C ATOM 380 C THR A 104 69.904 17.874 -0.828 1.00 25.00 C ATOM 381 O THR A 104 70.883 18.056 -1.539 1.00 25.00 O ATOM 382 CB THR A 104 70.103 15.687 0.417 1.00 25.00 C ATOM 383 OG1 THR A 104 69.628 14.338 0.433 1.00 25.00 O ATOM 384 CG2 THR A 104 69.911 16.268 1.811 1.00 25.00 C ATOM 0 H THR A 104 70.283 15.401 -2.171 1.00 25.00 H new ATOM 0 HA THR A 104 68.287 16.555 -0.309 1.00 25.00 H new ATOM 0 HB THR A 104 71.161 15.740 0.159 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.121 13.825 1.107 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.480 15.681 2.532 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.262 17.300 1.827 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.854 16.240 2.074 1.00 25.00 H new ATOM 392 N VAL A 105 69.287 18.866 -0.216 1.00 25.00 N ATOM 393 CA VAL A 105 69.756 20.239 -0.298 1.00 25.00 C ATOM 394 C VAL A 105 69.960 20.782 1.109 1.00 25.00 C ATOM 395 O VAL A 105 69.025 20.826 1.903 1.00 25.00 O ATOM 396 CB VAL A 105 68.724 21.133 -1.013 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.249 22.571 -1.143 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.352 20.563 -2.395 1.00 25.00 C ATOM 0 H VAL A 105 68.448 18.745 0.351 1.00 25.00 H new ATOM 0 HA VAL A 105 70.690 20.248 -0.860 1.00 25.00 H new ATOM 0 HB VAL A 105 67.820 21.150 -0.405 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.505 23.185 -1.650 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.441 22.979 -0.151 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.174 22.570 -1.720 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.622 21.216 -2.874 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.246 20.501 -3.016 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.924 19.568 -2.275 1.00 25.00 H new ATOM 408 N TYR A 106 71.169 21.233 1.403 1.00 25.00 N ATOM 409 CA TYR A 106 71.441 21.900 2.671 1.00 25.00 C ATOM 410 C TYR A 106 71.418 23.398 2.385 1.00 25.00 C ATOM 411 O TYR A 106 72.248 23.903 1.633 1.00 25.00 O ATOM 412 CB TYR A 106 72.796 21.459 3.226 1.00 25.00 C ATOM 413 CG TYR A 106 72.946 21.709 4.712 1.00 25.00 C ATOM 414 CD1 TYR A 106 73.020 23.020 5.227 1.00 25.00 C ATOM 415 CD2 TYR A 106 73.005 20.629 5.618 1.00 25.00 C ATOM 416 CE1 TYR A 106 73.158 23.248 6.624 1.00 25.00 C ATOM 417 CE2 TYR A 106 73.137 20.856 7.016 1.00 25.00 C ATOM 418 CZ TYR A 106 73.219 22.163 7.502 1.00 25.00 C ATOM 419 OH TYR A 106 73.364 22.371 8.849 1.00 25.00 O ATOM 0 H TYR A 106 71.976 21.151 0.785 1.00 25.00 H new ATOM 0 HA TYR A 106 70.697 21.643 3.425 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.933 20.396 3.028 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.588 21.987 2.694 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.971 23.862 4.552 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.949 19.617 5.245 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.215 24.257 7.005 1.00 25.00 H new ATOM 0 HE2 TYR A 106 73.174 20.021 7.699 1.00 25.00 H new ATOM 0 HH TYR A 106 73.426 23.333 9.027 1.00 25.00 H new ATOM 429 N CYS A 107 70.441 24.101 2.926 1.00 25.00 N ATOM 430 CA CYS A 107 70.290 25.528 2.676 1.00 25.00 C ATOM 431 C CYS A 107 70.851 26.308 3.854 1.00 25.00 C ATOM 432 O CYS A 107 70.332 26.228 4.955 1.00 25.00 O ATOM 433 CB CYS A 107 68.807 25.853 2.498 1.00 25.00 C ATOM 434 SG CYS A 107 68.471 27.598 2.185 1.00 25.00 S ATOM 0 H CYS A 107 69.734 23.707 3.546 1.00 25.00 H new ATOM 0 HA CYS A 107 70.832 25.805 1.772 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.413 25.263 1.670 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.268 25.545 3.394 1.00 25.00 H new ATOM 0 HG CYS A 107 67.228 27.857 2.462 1.00 25.00 H new ATOM 440 N VAL A 108 71.893 27.085 3.607 1.00 25.00 N ATOM 441 CA VAL A 108 72.525 27.904 4.637 1.00 25.00 C ATOM 442 C VAL A 108 72.127 29.352 4.409 1.00 25.00 C ATOM 443 O VAL A 108 72.325 29.901 3.321 1.00 25.00 O ATOM 444 CB VAL A 108 74.079 27.786 4.598 1.00 25.00 C ATOM 445 CG1 VAL A 108 74.720 28.600 5.740 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.510 26.321 4.713 1.00 25.00 C ATOM 0 H VAL A 108 72.327 27.168 2.688 1.00 25.00 H new ATOM 0 HA VAL A 108 72.190 27.553 5.613 1.00 25.00 H new ATOM 0 HB VAL A 108 74.419 28.187 3.643 1.00 25.00 H new ATOM 0 HG11 VAL A 108 75.805 28.502 5.692 1.00 25.00 H new ATOM 0 HG12 VAL A 108 74.445 29.650 5.637 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.364 28.224 6.699 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.598 26.258 4.684 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.148 25.908 5.654 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.092 25.752 3.883 1.00 25.00 H new ATOM 456 N ARG A 109 71.575 29.979 5.436 1.00 25.00 N ATOM 457 CA ARG A 109 71.159 31.376 5.353 1.00 25.00 C ATOM 458 C ARG A 109 71.989 32.179 6.327 1.00 25.00 C ATOM 459 O ARG A 109 72.448 31.656 7.335 1.00 25.00 O ATOM 460 CB ARG A 109 69.671 31.497 5.652 1.00 25.00 C ATOM 461 CG ARG A 109 68.809 30.849 4.557 1.00 25.00 C ATOM 462 CD ARG A 109 67.327 30.824 4.901 1.00 25.00 C ATOM 463 NE ARG A 109 66.737 32.172 4.954 1.00 25.00 N ATOM 464 CZ ARG A 109 65.453 32.433 5.172 1.00 25.00 C ATOM 465 NH1 ARG A 109 64.566 31.483 5.351 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 65.053 33.672 5.202 1.00 25.00 N ATOM 0 H ARG A 109 71.403 29.543 6.342 1.00 25.00 H new ATOM 0 HA ARG A 109 71.319 31.764 4.347 1.00 25.00 H new ATOM 0 HB2 ARG A 109 69.454 31.025 6.610 1.00 25.00 H new ATOM 0 HB3 ARG A 109 69.405 32.550 5.747 1.00 25.00 H new ATOM 0 HG2 ARG A 109 68.950 31.393 3.623 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.154 29.829 4.387 1.00 25.00 H new ATOM 0 HD2 ARG A 109 66.795 30.227 4.160 1.00 25.00 H new ATOM 0 HD3 ARG A 109 67.189 30.333 5.864 1.00 25.00 H new ATOM 0 HE ARG A 109 67.362 32.966 4.813 1.00 25.00 H new ATOM 0 HH11 ARG A 109 64.854 30.505 5.325 1.00 25.00 H new ATOM 0 HH12 ARG A 109 63.588 31.723 5.516 1.00 25.00 H new ATOM 0 HH21 ARG A 109 65.723 34.428 5.059 1.00 25.00 H new ATOM 0 HH22 ARG A 109 64.070 33.887 5.368 1.00 25.00 H new ATOM 480 N ARG A 110 72.230 33.435 5.984 1.00 25.00 N ATOM 481 CA ARG A 110 73.164 34.280 6.732 1.00 25.00 C ATOM 482 C ARG A 110 72.833 34.440 8.211 1.00 25.00 C ATOM 483 O ARG A 110 73.726 34.543 9.040 1.00 25.00 O ATOM 484 CB ARG A 110 73.228 35.661 6.073 1.00 25.00 C ATOM 485 CG ARG A 110 74.442 36.476 6.485 1.00 25.00 C ATOM 486 CD ARG A 110 74.476 37.810 5.756 1.00 25.00 C ATOM 487 NE ARG A 110 75.745 38.521 5.996 1.00 25.00 N ATOM 488 CZ ARG A 110 76.005 39.299 7.042 1.00 25.00 C ATOM 489 NH1 ARG A 110 75.131 39.516 7.995 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 77.175 39.869 7.130 1.00 25.00 N ATOM 0 H ARG A 110 71.792 33.899 5.188 1.00 25.00 H new ATOM 0 HA ARG A 110 74.127 33.771 6.697 1.00 25.00 H new ATOM 0 HB2 ARG A 110 73.234 35.538 4.990 1.00 25.00 H new ATOM 0 HB3 ARG A 110 72.325 36.217 6.325 1.00 25.00 H new ATOM 0 HG2 ARG A 110 74.422 36.646 7.561 1.00 25.00 H new ATOM 0 HG3 ARG A 110 75.351 35.916 6.268 1.00 25.00 H new ATOM 0 HD2 ARG A 110 74.346 37.645 4.686 1.00 25.00 H new ATOM 0 HD3 ARG A 110 73.642 38.429 6.087 1.00 25.00 H new ATOM 0 HE ARG A 110 76.484 38.407 5.302 1.00 25.00 H new ATOM 0 HH11 ARG A 110 74.210 39.080 7.951 1.00 25.00 H new ATOM 0 HH12 ARG A 110 75.372 40.121 8.780 1.00 25.00 H new ATOM 0 HH21 ARG A 110 77.873 39.715 6.403 1.00 25.00 H new ATOM 0 HH22 ARG A 110 77.391 40.469 7.926 1.00 25.00 H new ATOM 504 N ASP A 111 71.553 34.459 8.528 1.00 25.00 N ATOM 505 CA ASP A 111 71.085 34.695 9.892 1.00 25.00 C ATOM 506 C ASP A 111 70.920 33.390 10.679 1.00 25.00 C ATOM 507 O ASP A 111 70.075 33.289 11.562 1.00 25.00 O ATOM 508 CB ASP A 111 69.767 35.467 9.820 1.00 25.00 C ATOM 509 CG ASP A 111 69.878 36.698 8.939 1.00 25.00 C ATOM 510 OD1 ASP A 111 70.363 37.745 9.420 1.00 25.00 O ATOM 511 OD2 ASP A 111 69.592 36.579 7.723 1.00 25.00 O1- ATOM 0 H ASP A 111 70.803 34.312 7.852 1.00 25.00 H new ATOM 0 HA ASP A 111 71.832 35.279 10.429 1.00 25.00 H new ATOM 0 HB2 ASP A 111 68.985 34.814 9.434 1.00 25.00 H new ATOM 0 HB3 ASP A 111 69.466 35.765 10.824 1.00 25.00 H new ATOM 516 N LEU A 112 71.730 32.395 10.316 1.00 25.00 N ATOM 517 CA LEU A 112 71.751 31.058 10.949 1.00 25.00 C ATOM 518 C LEU A 112 70.396 30.357 10.864 1.00 25.00 C ATOM 519 O LEU A 112 70.071 29.478 11.649 1.00 25.00 O ATOM 520 CB LEU A 112 72.233 31.136 12.410 1.00 25.00 C ATOM 521 CG LEU A 112 73.597 31.811 12.643 1.00 25.00 C ATOM 522 CD1 LEU A 112 73.870 31.889 14.144 1.00 25.00 C ATOM 523 CD2 LEU A 112 74.738 31.051 11.950 1.00 25.00 C ATOM 0 H LEU A 112 72.407 32.489 9.559 1.00 25.00 H new ATOM 0 HA LEU A 112 72.464 30.457 10.385 1.00 25.00 H new ATOM 0 HB2 LEU A 112 71.482 31.673 12.990 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.280 30.123 12.809 1.00 25.00 H new ATOM 0 HG LEU A 112 73.557 32.811 12.212 1.00 25.00 H new ATOM 0 HD11 LEU A 112 74.835 32.366 14.314 1.00 25.00 H new ATOM 0 HD12 LEU A 112 73.086 32.473 14.626 1.00 25.00 H new ATOM 0 HD13 LEU A 112 73.884 30.883 14.564 1.00 25.00 H new ATOM 0 HD21 LEU A 112 75.683 31.561 12.140 1.00 25.00 H new ATOM 0 HD22 LEU A 112 74.789 30.035 12.342 1.00 25.00 H new ATOM 0 HD23 LEU A 112 74.553 31.017 10.876 1.00 25.00 H new ATOM 535 N SER A 113 69.630 30.746 9.859 1.00 25.00 N ATOM 536 CA SER A 113 68.302 30.196 9.582 1.00 25.00 C ATOM 537 C SER A 113 68.388 28.934 8.728 1.00 25.00 C ATOM 538 O SER A 113 67.532 28.685 7.882 1.00 25.00 O ATOM 539 CB SER A 113 67.467 31.245 8.868 1.00 25.00 C ATOM 540 OG SER A 113 67.829 32.541 9.311 1.00 25.00 O ATOM 0 H SER A 113 69.914 31.467 9.196 1.00 25.00 H new ATOM 0 HA SER A 113 67.835 29.926 10.529 1.00 25.00 H new ATOM 0 HB2 SER A 113 67.614 31.166 7.791 1.00 25.00 H new ATOM 0 HB3 SER A 113 66.408 31.070 9.059 1.00 25.00 H new ATOM 0 HG SER A 113 67.286 33.210 8.844 1.00 25.00 H new ATOM 546 N GLU A 114 69.517 28.255 8.822 1.00 25.00 N ATOM 547 CA GLU A 114 69.833 27.143 7.933 1.00 25.00 C ATOM 548 C GLU A 114 69.003 25.890 8.231 1.00 25.00 C ATOM 549 O GLU A 114 68.525 25.687 9.347 1.00 25.00 O ATOM 550 CB GLU A 114 71.333 26.828 8.016 1.00 25.00 C ATOM 551 CG GLU A 114 71.831 26.321 9.358 1.00 25.00 C ATOM 552 CD GLU A 114 73.340 26.142 9.349 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.060 27.156 9.197 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.809 24.985 9.419 1.00 25.00 O1- ATOM 0 H GLU A 114 70.240 28.455 9.513 1.00 25.00 H new ATOM 0 HA GLU A 114 69.575 27.451 6.920 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.571 26.083 7.257 1.00 25.00 H new ATOM 0 HB3 GLU A 114 71.889 27.730 7.761 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.550 27.023 10.143 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.350 25.371 9.593 1.00 25.00 H new ATOM 561 N VAL A 115 68.785 25.093 7.193 1.00 25.00 N ATOM 562 CA VAL A 115 67.900 23.932 7.255 1.00 25.00 C ATOM 563 C VAL A 115 68.362 22.972 6.158 1.00 25.00 C ATOM 564 O VAL A 115 69.042 23.388 5.226 1.00 25.00 O ATOM 565 CB VAL A 115 66.402 24.390 7.030 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.185 24.934 5.603 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.403 23.257 7.333 1.00 25.00 C ATOM 0 H VAL A 115 69.218 25.232 6.280 1.00 25.00 H new ATOM 0 HA VAL A 115 67.942 23.440 8.227 1.00 25.00 H new ATOM 0 HB VAL A 115 66.212 25.199 7.736 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.145 25.239 5.484 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.836 25.792 5.438 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.420 24.155 4.877 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.387 23.614 7.166 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.603 22.410 6.676 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.512 22.944 8.372 1.00 25.00 H new ATOM 577 N THR A 116 67.985 21.707 6.241 1.00 25.00 N ATOM 578 CA THR A 116 68.287 20.749 5.182 1.00 25.00 C ATOM 579 C THR A 116 66.983 20.041 4.838 1.00 25.00 C ATOM 580 O THR A 116 66.122 19.866 5.705 1.00 25.00 O ATOM 581 CB THR A 116 69.411 19.754 5.597 1.00 25.00 C ATOM 582 OG1 THR A 116 69.731 18.899 4.497 1.00 25.00 O ATOM 583 CG2 THR A 116 69.007 18.884 6.783 1.00 25.00 C ATOM 0 H THR A 116 67.469 21.316 7.029 1.00 25.00 H new ATOM 0 HA THR A 116 68.678 21.262 4.303 1.00 25.00 H new ATOM 0 HB THR A 116 70.274 20.353 5.889 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.557 19.370 3.655 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.824 18.208 7.033 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.785 19.519 7.641 1.00 25.00 H new ATOM 0 HG23 THR A 116 68.122 18.303 6.523 1.00 25.00 H new ATOM 591 N PHE A 117 66.811 19.706 3.570 1.00 25.00 N ATOM 592 CA PHE A 117 65.583 19.086 3.075 1.00 25.00 C ATOM 593 C PHE A 117 65.949 18.296 1.827 1.00 25.00 C ATOM 594 O PHE A 117 67.093 18.340 1.394 1.00 25.00 O ATOM 595 CB PHE A 117 64.519 20.153 2.764 1.00 25.00 C ATOM 596 CG PHE A 117 64.975 21.217 1.796 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.804 21.048 0.409 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.549 22.412 2.272 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.199 22.066 -0.499 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.946 23.434 1.372 1.00 25.00 C ATOM 601 CZ PHE A 117 65.769 23.257 -0.016 1.00 25.00 C ATOM 0 H PHE A 117 67.518 19.855 2.850 1.00 25.00 H new ATOM 0 HA PHE A 117 65.154 18.426 3.829 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.636 19.661 2.356 1.00 25.00 H new ATOM 0 HB3 PHE A 117 64.216 20.631 3.696 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.368 20.135 0.032 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.688 22.552 3.334 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.061 21.925 -1.561 1.00 25.00 H new ATOM 0 HE2 PHE A 117 66.383 24.347 1.749 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.070 24.033 -0.705 1.00 25.00 H new ATOM 611 N SER A 118 64.995 17.588 1.244 1.00 25.00 N ATOM 612 CA SER A 118 65.251 16.820 0.028 1.00 25.00 C ATOM 613 C SER A 118 64.167 17.117 -0.992 1.00 25.00 C ATOM 614 O SER A 118 63.045 17.444 -0.621 1.00 25.00 O ATOM 615 CB SER A 118 65.289 15.323 0.337 1.00 25.00 C ATOM 616 OG SER A 118 66.293 15.027 1.294 1.00 25.00 O ATOM 0 H SER A 118 64.037 17.527 1.589 1.00 25.00 H new ATOM 0 HA SER A 118 66.220 17.109 -0.378 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.318 15.001 0.712 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.479 14.764 -0.579 1.00 25.00 H new ATOM 0 HG SER A 118 66.297 14.064 1.477 1.00 25.00 H new ATOM 622 N LEU A 119 64.513 17.014 -2.267 1.00 25.00 N ATOM 623 CA LEU A 119 63.589 17.311 -3.361 1.00 25.00 C ATOM 624 C LEU A 119 63.505 16.139 -4.315 1.00 25.00 C ATOM 625 O LEU A 119 64.493 15.435 -4.534 1.00 25.00 O ATOM 626 CB LEU A 119 64.076 18.530 -4.151 1.00 25.00 C ATOM 627 CG LEU A 119 64.124 19.870 -3.410 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.770 20.899 -4.322 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.732 20.342 -3.006 1.00 25.00 C ATOM 0 H LEU A 119 65.440 16.723 -2.576 1.00 25.00 H new ATOM 0 HA LEU A 119 62.610 17.510 -2.925 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.077 18.314 -4.523 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.431 18.648 -5.022 1.00 25.00 H new ATOM 0 HG LEU A 119 64.704 19.745 -2.496 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.813 21.861 -3.812 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.780 20.577 -4.576 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.181 20.998 -5.234 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.809 21.295 -2.483 1.00 25.00 H new ATOM 0 HD22 LEU A 119 62.117 20.465 -3.897 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.274 19.603 -2.348 1.00 25.00 H new ATOM 641 N GLN A 120 62.338 15.969 -4.916 1.00 25.00 N ATOM 642 CA GLN A 120 62.123 14.932 -5.923 1.00 25.00 C ATOM 643 C GLN A 120 62.256 15.593 -7.282 1.00 25.00 C ATOM 644 O GLN A 120 61.679 16.651 -7.524 1.00 25.00 O ATOM 645 CB GLN A 120 60.738 14.298 -5.775 1.00 25.00 C ATOM 646 CG GLN A 120 60.580 13.488 -4.498 1.00 25.00 C ATOM 647 CD GLN A 120 59.249 12.774 -4.434 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.206 13.390 -4.314 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.280 11.469 -4.519 1.00 25.00 N ATOM 0 H GLN A 120 61.515 16.540 -4.724 1.00 25.00 H new ATOM 0 HA GLN A 120 62.855 14.133 -5.803 1.00 25.00 H new ATOM 0 HB2 GLN A 120 59.983 15.084 -5.794 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.548 13.652 -6.632 1.00 25.00 H new ATOM 0 HG2 GLN A 120 61.386 12.757 -4.432 1.00 25.00 H new ATOM 0 HG3 GLN A 120 60.677 14.149 -3.637 1.00 25.00 H new ATOM 0 HE21 GLN A 120 60.173 10.985 -4.619 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.412 10.935 -4.485 1.00 25.00 H new ATOM 658 N VAL A 121 63.080 15.005 -8.132 1.00 25.00 N ATOM 659 CA VAL A 121 63.438 15.593 -9.422 1.00 25.00 C ATOM 660 C VAL A 121 63.529 14.487 -10.470 1.00 25.00 C ATOM 661 O VAL A 121 63.514 13.314 -10.129 1.00 25.00 O ATOM 662 CB VAL A 121 64.825 16.304 -9.326 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.769 17.487 -8.357 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.915 15.312 -8.856 1.00 25.00 C ATOM 0 H VAL A 121 63.523 14.104 -7.952 1.00 25.00 H new ATOM 0 HA VAL A 121 62.676 16.321 -9.701 1.00 25.00 H new ATOM 0 HB VAL A 121 65.075 16.672 -10.321 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.748 17.964 -8.309 1.00 25.00 H new ATOM 0 HG12 VAL A 121 64.030 18.208 -8.706 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.489 17.132 -7.365 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.874 15.827 -8.796 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.651 14.920 -7.874 1.00 25.00 H new ATOM 0 HG23 VAL A 121 65.989 14.489 -9.567 1.00 25.00 H new ATOM 674 N ASP A 122 63.673 14.860 -11.731 1.00 25.00 N ATOM 675 CA ASP A 122 63.910 13.893 -12.810 1.00 25.00 C ATOM 676 C ASP A 122 65.421 13.886 -13.096 1.00 25.00 C ATOM 677 O ASP A 122 66.135 14.798 -12.687 1.00 25.00 O ATOM 678 CB ASP A 122 63.128 14.304 -14.069 1.00 25.00 C ATOM 679 CG ASP A 122 63.082 13.198 -15.122 1.00 25.00 C ATOM 680 OD1 ASP A 122 64.058 13.060 -15.892 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 62.096 12.449 -15.156 1.00 25.00 O1- ATOM 0 H ASP A 122 63.631 15.830 -12.042 1.00 25.00 H new ATOM 0 HA ASP A 122 63.572 12.898 -12.519 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.110 14.574 -13.787 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.586 15.193 -14.502 1.00 25.00 H new ATOM 686 N ALA A 123 65.908 12.897 -13.825 1.00 25.00 N ATOM 687 CA ALA A 123 67.308 12.878 -14.248 1.00 25.00 C ATOM 688 C ALA A 123 67.589 14.018 -15.249 1.00 25.00 C ATOM 689 O ALA A 123 68.669 14.622 -15.242 1.00 25.00 O ATOM 690 CB ALA A 123 67.636 11.522 -14.882 1.00 25.00 C ATOM 0 H ALA A 123 65.361 12.096 -14.139 1.00 25.00 H new ATOM 0 HA ALA A 123 67.942 13.028 -13.374 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.680 11.510 -15.196 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.468 10.729 -14.153 1.00 25.00 H new ATOM 0 HB3 ALA A 123 66.994 11.361 -15.748 1.00 25.00 H new ATOM 696 N ASP A 124 66.615 14.293 -16.107 1.00 25.00 N ATOM 697 CA ASP A 124 66.756 15.299 -17.167 1.00 25.00 C ATOM 698 C ASP A 124 66.317 16.687 -16.698 1.00 25.00 C ATOM 699 O ASP A 124 66.290 17.646 -17.462 1.00 25.00 O ATOM 700 CB ASP A 124 65.920 14.880 -18.381 1.00 25.00 C ATOM 701 CG ASP A 124 66.444 15.469 -19.683 1.00 25.00 C ATOM 702 OD1 ASP A 124 67.680 15.655 -19.804 1.00 25.00 O ATOM 703 OD2 ASP A 124 65.635 15.655 -20.618 1.00 25.00 O1- ATOM 0 H ASP A 124 65.706 13.830 -16.093 1.00 25.00 H new ATOM 0 HA ASP A 124 67.811 15.357 -17.436 1.00 25.00 H new ATOM 0 HB2 ASP A 124 65.913 13.793 -18.455 1.00 25.00 H new ATOM 0 HB3 ASP A 124 64.887 15.196 -18.233 1.00 25.00 H new ATOM 708 N PHE A 125 65.976 16.785 -15.423 1.00 25.00 N ATOM 709 CA PHE A 125 65.553 18.048 -14.822 1.00 25.00 C ATOM 710 C PHE A 125 66.689 19.058 -14.965 1.00 25.00 C ATOM 711 O PHE A 125 67.839 18.743 -14.664 1.00 25.00 O ATOM 712 CB PHE A 125 65.255 17.797 -13.347 1.00 25.00 C ATOM 713 CG PHE A 125 64.179 18.657 -12.770 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.828 18.345 -12.999 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.495 19.744 -11.941 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.801 19.105 -12.402 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.474 20.503 -11.331 1.00 25.00 C ATOM 718 CZ PHE A 125 62.127 20.183 -11.558 1.00 25.00 C ATOM 0 H PHE A 125 65.983 15.997 -14.775 1.00 25.00 H new ATOM 0 HA PHE A 125 64.662 18.439 -15.313 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.972 16.752 -13.221 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.170 17.951 -12.775 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.573 17.514 -13.640 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.529 20.002 -11.768 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.766 18.860 -12.592 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.730 21.332 -10.688 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.345 20.761 -11.088 1.00 25.00 H new ATOM 728 N GLU A 126 66.389 20.256 -15.443 1.00 25.00 N ATOM 729 CA GLU A 126 67.432 21.261 -15.650 1.00 25.00 C ATOM 730 C GLU A 126 67.912 21.790 -14.313 1.00 25.00 C ATOM 731 O GLU A 126 67.134 21.887 -13.372 1.00 25.00 O ATOM 732 CB GLU A 126 66.907 22.461 -16.433 1.00 25.00 C ATOM 733 CG GLU A 126 66.847 22.290 -17.923 1.00 25.00 C ATOM 734 CD GLU A 126 66.667 23.638 -18.601 1.00 25.00 C ATOM 735 OE1 GLU A 126 65.722 24.364 -18.226 1.00 25.00 O ATOM 736 OE2 GLU A 126 67.533 24.025 -19.416 1.00 25.00 O1- ATOM 0 H GLU A 126 65.447 20.558 -15.693 1.00 25.00 H new ATOM 0 HA GLU A 126 68.235 20.775 -16.204 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.906 22.697 -16.072 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.538 23.322 -16.210 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.762 21.816 -18.279 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.021 21.629 -18.187 1.00 25.00 H new ATOM 743 N LEU A 127 69.155 22.245 -14.259 1.00 25.00 N ATOM 744 CA LEU A 127 69.666 22.924 -13.072 1.00 25.00 C ATOM 745 C LEU A 127 68.886 24.237 -12.921 1.00 25.00 C ATOM 746 O LEU A 127 68.609 24.689 -11.814 1.00 25.00 O ATOM 747 CB LEU A 127 71.178 23.167 -13.221 1.00 25.00 C ATOM 748 CG LEU A 127 72.068 23.339 -11.970 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.808 24.637 -11.207 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.919 22.145 -11.029 1.00 25.00 C ATOM 0 H LEU A 127 69.829 22.158 -15.020 1.00 25.00 H new ATOM 0 HA LEU A 127 69.529 22.319 -12.176 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.584 22.333 -13.793 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.302 24.062 -13.831 1.00 25.00 H new ATOM 0 HG LEU A 127 73.092 23.392 -12.341 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.469 24.689 -10.342 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.999 25.488 -11.861 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.771 24.661 -10.873 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.555 22.289 -10.155 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.880 22.060 -10.711 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.216 21.234 -11.548 1.00 25.00 H new ATOM 762 N HIS A 128 68.464 24.799 -14.047 1.00 25.00 N ATOM 763 CA HIS A 128 67.593 25.975 -14.062 1.00 25.00 C ATOM 764 C HIS A 128 66.304 25.706 -13.292 1.00 25.00 C ATOM 765 O HIS A 128 65.907 26.490 -12.437 1.00 25.00 O ATOM 766 CB HIS A 128 67.231 26.333 -15.510 1.00 25.00 C ATOM 767 CG HIS A 128 66.251 27.457 -15.625 1.00 25.00 C ATOM 768 ND1 HIS A 128 66.563 28.783 -15.454 1.00 25.00 N ATOM 769 CD2 HIS A 128 64.916 27.442 -15.904 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.452 29.496 -15.620 1.00 25.00 C ATOM 771 NE2 HIS A 128 64.417 28.729 -15.893 1.00 25.00 N ATOM 0 H HIS A 128 68.713 24.456 -14.975 1.00 25.00 H new ATOM 0 HA HIS A 128 68.129 26.798 -13.590 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.141 26.600 -16.047 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.818 25.451 -16.000 1.00 25.00 H new ATOM 0 HD2 HIS A 128 64.335 26.554 -16.104 1.00 25.00 H new ATOM 0 HE1 HIS A 128 65.405 30.572 -15.541 1.00 25.00 H new ATOM 0 HE2 HIS A 128 63.455 29.022 -16.060 1.00 25.00 H new ATOM 779 N ASN A 129 65.669 24.580 -13.574 1.00 25.00 N ATOM 780 CA ASN A 129 64.413 24.247 -12.917 1.00 25.00 C ATOM 781 C ASN A 129 64.669 23.790 -11.482 1.00 25.00 C ATOM 782 O ASN A 129 63.887 24.053 -10.584 1.00 25.00 O ATOM 783 CB ASN A 129 63.684 23.159 -13.712 1.00 25.00 C ATOM 784 CG ASN A 129 62.179 23.258 -13.587 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.645 24.274 -13.185 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.494 22.215 -13.958 1.00 25.00 N ATOM 0 H ASN A 129 65.997 23.887 -14.246 1.00 25.00 H new ATOM 0 HA ASN A 129 63.782 25.135 -12.882 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.963 23.233 -14.763 1.00 25.00 H new ATOM 0 HB3 ASN A 129 64.010 22.179 -13.364 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.475 22.233 -13.917 1.00 25.00 H new ATOM 0 HD22 ASN A 129 61.976 21.380 -14.290 1.00 25.00 H new ATOM 793 N PHE A 130 65.797 23.130 -11.262 1.00 25.00 N ATOM 794 CA PHE A 130 66.174 22.652 -9.933 1.00 25.00 C ATOM 795 C PHE A 130 66.378 23.795 -8.953 1.00 25.00 C ATOM 796 O PHE A 130 65.892 23.743 -7.828 1.00 25.00 O ATOM 797 CB PHE A 130 67.458 21.832 -10.023 1.00 25.00 C ATOM 798 CG PHE A 130 67.916 21.278 -8.705 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.106 20.383 -7.985 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.167 21.645 -8.175 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.541 19.844 -6.748 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.615 21.112 -6.945 1.00 25.00 C ATOM 803 CZ PHE A 130 68.800 20.208 -6.230 1.00 25.00 C ATOM 0 H PHE A 130 66.475 22.910 -11.992 1.00 25.00 H new ATOM 0 HA PHE A 130 65.355 22.034 -9.564 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.304 21.008 -10.719 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.249 22.457 -10.439 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.140 20.102 -8.379 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.792 22.342 -8.714 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.910 19.157 -6.204 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.580 21.396 -6.552 1.00 25.00 H new ATOM 0 HZ PHE A 130 69.140 19.797 -5.291 1.00 25.00 H new ATOM 813 N ARG A 131 67.076 24.846 -9.362 1.00 25.00 N ATOM 814 CA ARG A 131 67.286 25.977 -8.459 1.00 25.00 C ATOM 815 C ARG A 131 65.978 26.726 -8.212 1.00 25.00 C ATOM 816 O ARG A 131 65.803 27.287 -7.147 1.00 25.00 O ATOM 817 CB ARG A 131 68.401 26.922 -8.937 1.00 25.00 C ATOM 818 CG ARG A 131 68.163 27.620 -10.277 1.00 25.00 C ATOM 819 CD ARG A 131 68.380 29.126 -10.179 1.00 25.00 C ATOM 820 NE ARG A 131 69.720 29.472 -9.664 1.00 25.00 N ATOM 821 CZ ARG A 131 70.130 30.703 -9.373 1.00 25.00 C ATOM 822 NH1 ARG A 131 69.371 31.751 -9.563 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 71.320 30.877 -8.871 1.00 25.00 N ATOM 0 H ARG A 131 67.497 24.943 -10.286 1.00 25.00 H new ATOM 0 HA ARG A 131 67.627 25.566 -7.509 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.554 27.686 -8.175 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.327 26.352 -9.007 1.00 25.00 H new ATOM 0 HG2 ARG A 131 68.835 27.204 -11.028 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.146 27.421 -10.615 1.00 25.00 H new ATOM 0 HD2 ARG A 131 68.246 29.574 -11.164 1.00 25.00 H new ATOM 0 HD3 ARG A 131 67.621 29.557 -9.526 1.00 25.00 H new ATOM 0 HE ARG A 131 70.381 28.709 -9.521 1.00 25.00 H new ATOM 0 HH11 ARG A 131 68.432 31.638 -9.946 1.00 25.00 H new ATOM 0 HH12 ARG A 131 69.718 32.681 -9.328 1.00 25.00 H new ATOM 0 HH21 ARG A 131 71.926 30.074 -8.705 1.00 25.00 H new ATOM 0 HH22 ARG A 131 71.645 31.817 -8.644 1.00 25.00 H new ATOM 837 N ALA A 132 65.054 26.693 -9.163 1.00 25.00 N ATOM 838 CA ALA A 132 63.742 27.315 -8.974 1.00 25.00 C ATOM 839 C ALA A 132 62.912 26.489 -7.976 1.00 25.00 C ATOM 840 O ALA A 132 62.238 27.032 -7.108 1.00 25.00 O ATOM 841 CB ALA A 132 63.012 27.427 -10.320 1.00 25.00 C ATOM 0 H ALA A 132 65.184 26.245 -10.070 1.00 25.00 H new ATOM 0 HA ALA A 132 63.876 28.319 -8.571 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.037 27.891 -10.168 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.602 28.037 -11.004 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.878 26.432 -10.745 1.00 25.00 H new ATOM 847 N LEU A 133 63.003 25.171 -8.086 1.00 25.00 N ATOM 848 CA LEU A 133 62.313 24.263 -7.169 1.00 25.00 C ATOM 849 C LEU A 133 62.857 24.459 -5.750 1.00 25.00 C ATOM 850 O LEU A 133 62.110 24.526 -4.781 1.00 25.00 O ATOM 851 CB LEU A 133 62.537 22.814 -7.636 1.00 25.00 C ATOM 852 CG LEU A 133 61.721 21.706 -6.953 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.239 21.828 -7.290 1.00 25.00 C ATOM 854 CD2 LEU A 133 62.238 20.343 -7.421 1.00 25.00 C ATOM 0 H LEU A 133 63.551 24.700 -8.806 1.00 25.00 H new ATOM 0 HA LEU A 133 61.244 24.476 -7.165 1.00 25.00 H new ATOM 0 HB2 LEU A 133 62.330 22.771 -8.705 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.594 22.580 -7.506 1.00 25.00 H new ATOM 0 HG LEU A 133 61.836 21.805 -5.874 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.686 21.031 -6.793 1.00 25.00 H new ATOM 0 HD12 LEU A 133 59.867 22.794 -6.950 1.00 25.00 H new ATOM 0 HD13 LEU A 133 60.103 21.746 -8.368 1.00 25.00 H new ATOM 0 HD21 LEU A 133 61.663 19.551 -6.940 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.129 20.265 -8.503 1.00 25.00 H new ATOM 0 HD23 LEU A 133 63.290 20.241 -7.154 1.00 25.00 H new ATOM 866 N CYS A 134 64.170 24.605 -5.652 1.00 25.00 N ATOM 867 CA CYS A 134 64.829 24.863 -4.376 1.00 25.00 C ATOM 868 C CYS A 134 64.432 26.221 -3.802 1.00 25.00 C ATOM 869 O CYS A 134 64.249 26.353 -2.602 1.00 25.00 O ATOM 870 CB CYS A 134 66.343 24.825 -4.565 1.00 25.00 C ATOM 871 SG CYS A 134 67.255 25.067 -3.037 1.00 25.00 S ATOM 0 H CYS A 134 64.806 24.549 -6.447 1.00 25.00 H new ATOM 0 HA CYS A 134 64.514 24.089 -3.676 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.624 23.866 -5.000 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.633 25.596 -5.279 1.00 25.00 H new ATOM 0 HG CYS A 134 68.531 25.019 -3.281 1.00 25.00 H new ATOM 877 N GLU A 135 64.312 27.223 -4.660 1.00 25.00 N ATOM 878 CA GLU A 135 63.919 28.575 -4.249 1.00 25.00 C ATOM 879 C GLU A 135 62.529 28.547 -3.618 1.00 25.00 C ATOM 880 O GLU A 135 62.306 29.134 -2.555 1.00 25.00 O ATOM 881 CB GLU A 135 63.964 29.489 -5.487 1.00 25.00 C ATOM 882 CG GLU A 135 63.090 30.738 -5.474 1.00 25.00 C ATOM 883 CD GLU A 135 63.339 31.602 -6.711 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.517 31.979 -6.951 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 62.380 31.900 -7.447 1.00 25.00 O1- ATOM 0 H GLU A 135 64.483 27.129 -5.661 1.00 25.00 H new ATOM 0 HA GLU A 135 64.606 28.963 -3.497 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.997 29.803 -5.635 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.685 28.892 -6.355 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.040 30.449 -5.435 1.00 25.00 H new ATOM 0 HG3 GLU A 135 63.295 31.319 -4.575 1.00 25.00 H new ATOM 892 N LEU A 136 61.619 27.811 -4.242 1.00 25.00 N ATOM 893 CA LEU A 136 60.256 27.678 -3.740 1.00 25.00 C ATOM 894 C LEU A 136 60.252 27.021 -2.360 1.00 25.00 C ATOM 895 O LEU A 136 59.602 27.505 -1.440 1.00 25.00 O ATOM 896 CB LEU A 136 59.431 26.859 -4.750 1.00 25.00 C ATOM 897 CG LEU A 136 57.906 26.756 -4.553 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.269 26.394 -5.899 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.499 25.705 -3.512 1.00 25.00 C ATOM 0 H LEU A 136 61.801 27.294 -5.102 1.00 25.00 H new ATOM 0 HA LEU A 136 59.807 28.665 -3.630 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.608 27.280 -5.740 1.00 25.00 H new ATOM 0 HB3 LEU A 136 59.832 25.845 -4.759 1.00 25.00 H new ATOM 0 HG LEU A 136 57.558 27.720 -4.183 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.188 26.316 -5.781 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.499 27.169 -6.631 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.666 25.439 -6.244 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.413 25.684 -3.422 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.856 24.724 -3.826 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.938 25.959 -2.547 1.00 25.00 H new ATOM 911 N GLU A 137 60.989 25.928 -2.221 1.00 25.00 N ATOM 912 CA GLU A 137 61.031 25.180 -0.960 1.00 25.00 C ATOM 913 C GLU A 137 61.741 25.960 0.157 1.00 25.00 C ATOM 914 O GLU A 137 61.359 25.898 1.321 1.00 25.00 O ATOM 915 CB GLU A 137 61.753 23.848 -1.193 1.00 25.00 C ATOM 916 CG GLU A 137 61.422 22.768 -0.164 1.00 25.00 C ATOM 917 CD GLU A 137 60.021 22.191 -0.361 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.741 21.661 -1.459 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.207 22.256 0.585 1.00 25.00 O1- ATOM 0 H GLU A 137 61.568 25.535 -2.963 1.00 25.00 H new ATOM 0 HA GLU A 137 60.004 25.011 -0.637 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.498 23.478 -2.186 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.829 24.024 -1.185 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.156 21.966 -0.233 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.502 23.188 0.839 1.00 25.00 H new ATOM 926 N SER A 138 62.788 26.687 -0.202 1.00 25.00 N ATOM 927 CA SER A 138 63.579 27.434 0.780 1.00 25.00 C ATOM 928 C SER A 138 62.923 28.760 1.156 1.00 25.00 C ATOM 929 O SER A 138 63.215 29.329 2.214 1.00 25.00 O ATOM 930 CB SER A 138 64.978 27.706 0.232 1.00 25.00 C ATOM 931 OG SER A 138 65.624 26.500 -0.127 1.00 25.00 O ATOM 0 H SER A 138 63.114 26.779 -1.164 1.00 25.00 H new ATOM 0 HA SER A 138 63.640 26.818 1.677 1.00 25.00 H new ATOM 0 HB2 SER A 138 64.911 28.360 -0.637 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.570 28.231 0.981 1.00 25.00 H new ATOM 0 HG SER A 138 65.305 26.207 -1.006 1.00 25.00 H new ATOM 937 N GLY A 139 62.065 29.272 0.282 1.00 25.00 N ATOM 938 CA GLY A 139 61.364 30.516 0.559 1.00 25.00 C ATOM 939 C GLY A 139 62.238 31.739 0.362 1.00 25.00 C ATOM 940 O GLY A 139 61.933 32.820 0.871 1.00 25.00 O ATOM 0 H GLY A 139 61.840 28.847 -0.618 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.492 30.589 -0.091 1.00 25.00 H new ATOM 0 HA3 GLY A 139 60.996 30.500 1.585 1.00 25.00 H new ATOM 944 N ILE A 140 63.339 31.570 -0.358 1.00 25.00 N ATOM 945 CA ILE A 140 64.280 32.660 -0.622 1.00 25.00 C ATOM 946 C ILE A 140 64.707 32.620 -2.086 1.00 25.00 C ATOM 947 O ILE A 140 64.837 31.540 -2.663 1.00 25.00 O ATOM 948 CB ILE A 140 65.554 32.567 0.271 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.153 31.146 0.246 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.217 32.970 1.717 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.599 31.075 0.693 1.00 25.00 C ATOM 0 H ILE A 140 63.608 30.679 -0.776 1.00 25.00 H new ATOM 0 HA ILE A 140 63.769 33.594 -0.390 1.00 25.00 H new ATOM 0 HB ILE A 140 66.298 33.255 -0.131 1.00 25.00 H new ATOM 0 HG12 ILE A 140 65.554 30.500 0.887 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.077 30.749 -0.766 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.114 32.901 2.332 1.00 25.00 H new ATOM 0 HG22 ILE A 140 64.844 33.994 1.732 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.454 32.300 2.113 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.944 30.042 0.646 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.213 31.693 0.038 1.00 25.00 H new ATOM 0 HD13 ILE A 140 67.682 31.439 1.717 1.00 25.00 H new ATOM 963 N PRO A 141 64.918 33.794 -2.712 1.00 25.00 N ATOM 964 CA PRO A 141 65.315 33.722 -4.122 1.00 25.00 C ATOM 965 C PRO A 141 66.661 33.041 -4.336 1.00 25.00 C ATOM 966 O PRO A 141 67.670 33.415 -3.731 1.00 25.00 O ATOM 967 CB PRO A 141 65.398 35.197 -4.536 1.00 25.00 C ATOM 968 CG PRO A 141 64.557 35.918 -3.546 1.00 25.00 C ATOM 969 CD PRO A 141 64.809 35.195 -2.264 1.00 25.00 C ATOM 0 HA PRO A 141 64.611 33.127 -4.704 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.427 35.556 -4.516 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.028 35.344 -5.551 1.00 25.00 H new ATOM 0 HG2 PRO A 141 64.838 36.969 -3.474 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.503 35.888 -3.821 1.00 25.00 H new ATOM 0 HD2 PRO A 141 65.721 35.538 -1.776 1.00 25.00 H new ATOM 0 HD3 PRO A 141 63.995 35.333 -1.552 1.00 25.00 H new ATOM 977 N ALA A 142 66.697 32.083 -5.250 1.00 25.00 N ATOM 978 CA ALA A 142 67.936 31.425 -5.632 1.00 25.00 C ATOM 979 C ALA A 142 68.853 32.456 -6.291 1.00 25.00 C ATOM 980 O ALA A 142 70.069 32.309 -6.300 1.00 25.00 O ATOM 981 CB ALA A 142 67.654 30.264 -6.582 1.00 25.00 C ATOM 0 H ALA A 142 65.873 31.742 -5.745 1.00 25.00 H new ATOM 0 HA ALA A 142 68.425 31.016 -4.748 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.593 29.783 -6.858 1.00 25.00 H new ATOM 0 HB2 ALA A 142 67.006 29.539 -6.089 1.00 25.00 H new ATOM 0 HB3 ALA A 142 67.162 30.639 -7.479 1.00 25.00 H new ATOM 987 N ALA A 143 68.248 33.501 -6.841 1.00 25.00 N ATOM 988 CA ALA A 143 68.983 34.590 -7.482 1.00 25.00 C ATOM 989 C ALA A 143 69.890 35.340 -6.493 1.00 25.00 C ATOM 990 O ALA A 143 70.879 35.942 -6.891 1.00 25.00 O ATOM 991 CB ALA A 143 67.987 35.563 -8.124 1.00 25.00 C ATOM 0 H ALA A 143 67.235 33.620 -6.857 1.00 25.00 H new ATOM 0 HA ALA A 143 69.630 34.156 -8.245 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.531 36.377 -8.603 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.392 35.035 -8.870 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.329 35.969 -7.356 1.00 25.00 H new ATOM 997 N GLU A 144 69.550 35.288 -5.214 1.00 25.00 N ATOM 998 CA GLU A 144 70.308 35.977 -4.166 1.00 25.00 C ATOM 999 C GLU A 144 71.254 35.012 -3.454 1.00 25.00 C ATOM 1000 O GLU A 144 71.762 35.303 -2.368 1.00 25.00 O ATOM 1001 CB GLU A 144 69.335 36.566 -3.143 1.00 25.00 C ATOM 1002 CG GLU A 144 68.424 37.644 -3.709 1.00 25.00 C ATOM 1003 CD GLU A 144 67.443 38.165 -2.671 1.00 25.00 C ATOM 1004 OE1 GLU A 144 67.422 37.627 -1.537 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 66.685 39.103 -2.990 1.00 25.00 O1- ATOM 0 H GLU A 144 68.743 34.769 -4.868 1.00 25.00 H new ATOM 0 HA GLU A 144 70.897 36.768 -4.629 1.00 25.00 H new ATOM 0 HB2 GLU A 144 68.721 35.763 -2.735 1.00 25.00 H new ATOM 0 HB3 GLU A 144 69.905 36.984 -2.313 1.00 25.00 H new ATOM 0 HG2 GLU A 144 69.029 38.470 -4.083 1.00 25.00 H new ATOM 0 HG3 GLU A 144 67.873 37.243 -4.559 1.00 25.00 H new ATOM 1012 N SER A 145 71.466 33.844 -4.041 1.00 25.00 N ATOM 1013 CA SER A 145 72.273 32.809 -3.406 1.00 25.00 C ATOM 1014 C SER A 145 73.195 32.098 -4.385 1.00 25.00 C ATOM 1015 O SER A 145 73.006 32.152 -5.598 1.00 25.00 O ATOM 1016 CB SER A 145 71.346 31.779 -2.771 1.00 25.00 C ATOM 1017 OG SER A 145 70.691 31.024 -3.772 1.00 25.00 O ATOM 0 H SER A 145 71.092 33.588 -4.955 1.00 25.00 H new ATOM 0 HA SER A 145 72.899 33.297 -2.659 1.00 25.00 H new ATOM 0 HB2 SER A 145 71.918 31.116 -2.122 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.609 32.281 -2.144 1.00 25.00 H new ATOM 0 HG SER A 145 70.618 31.559 -4.590 1.00 25.00 H new ATOM 1023 N GLN A 146 74.167 31.384 -3.839 1.00 25.00 N ATOM 1024 CA GLN A 146 75.073 30.568 -4.638 1.00 25.00 C ATOM 1025 C GLN A 146 74.851 29.119 -4.254 1.00 25.00 C ATOM 1026 O GLN A 146 74.862 28.779 -3.075 1.00 25.00 O ATOM 1027 CB GLN A 146 76.527 30.961 -4.373 1.00 25.00 C ATOM 1028 CG GLN A 146 76.903 32.326 -4.938 1.00 25.00 C ATOM 1029 CD GLN A 146 76.915 32.346 -6.456 1.00 25.00 C ATOM 1030 OE1 GLN A 146 76.132 33.028 -7.082 1.00 25.00 O ATOM 1031 NE2 GLN A 146 77.816 31.603 -7.047 1.00 25.00 N ATOM 0 H GLN A 146 74.351 31.352 -2.836 1.00 25.00 H new ATOM 0 HA GLN A 146 74.874 30.720 -5.699 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.704 30.961 -3.298 1.00 25.00 H new ATOM 0 HB3 GLN A 146 77.183 30.205 -4.804 1.00 25.00 H new ATOM 0 HG2 GLN A 146 76.197 33.073 -4.574 1.00 25.00 H new ATOM 0 HG3 GLN A 146 77.888 32.610 -4.567 1.00 25.00 H new ATOM 0 HE21 GLN A 146 78.459 31.041 -6.489 1.00 25.00 H new ATOM 0 HE22 GLN A 146 77.875 31.586 -8.065 1.00 25.00 H new ATOM 1040 N ILE A 147 74.652 28.273 -5.249 1.00 25.00 N ATOM 1041 CA ILE A 147 74.414 26.848 -5.021 1.00 25.00 C ATOM 1042 C ILE A 147 75.673 26.081 -5.451 1.00 25.00 C ATOM 1043 O ILE A 147 76.296 26.389 -6.475 1.00 25.00 O ATOM 1044 CB ILE A 147 73.105 26.375 -5.735 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.759 24.939 -5.288 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.215 26.538 -7.275 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.473 24.365 -5.903 1.00 25.00 C ATOM 0 H ILE A 147 74.650 28.545 -6.232 1.00 25.00 H new ATOM 0 HA ILE A 147 74.241 26.644 -3.964 1.00 25.00 H new ATOM 0 HB ILE A 147 72.273 27.012 -5.436 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.591 24.283 -5.544 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.664 24.924 -4.202 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.290 26.201 -7.744 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.384 27.587 -7.519 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.048 25.941 -7.646 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.312 23.353 -5.531 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.626 24.993 -5.626 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.568 24.341 -6.989 1.00 25.00 H new ATOM 1059 N VAL A 148 76.107 25.174 -4.588 1.00 25.00 N ATOM 1060 CA VAL A 148 77.400 24.505 -4.699 1.00 25.00 C ATOM 1061 C VAL A 148 77.232 22.985 -4.628 1.00 25.00 C ATOM 1062 O VAL A 148 76.482 22.478 -3.800 1.00 25.00 O ATOM 1063 CB VAL A 148 78.320 24.983 -3.519 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.701 24.338 -3.579 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.475 26.520 -3.549 1.00 25.00 C ATOM 0 H VAL A 148 75.564 24.876 -3.778 1.00 25.00 H new ATOM 0 HA VAL A 148 77.850 24.758 -5.659 1.00 25.00 H new ATOM 0 HB VAL A 148 77.839 24.676 -2.590 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.306 24.695 -2.746 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.600 23.255 -3.516 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.186 24.603 -4.519 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.115 26.837 -2.726 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.924 26.822 -4.495 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.495 26.987 -3.447 1.00 25.00 H new ATOM 1075 N TYR A 149 77.959 22.269 -5.473 1.00 25.00 N ATOM 1076 CA TYR A 149 77.962 20.807 -5.488 1.00 25.00 C ATOM 1077 C TYR A 149 79.409 20.358 -5.619 1.00 25.00 C ATOM 1078 O TYR A 149 80.151 20.937 -6.405 1.00 25.00 O ATOM 1079 CB TYR A 149 77.157 20.305 -6.682 1.00 25.00 C ATOM 1080 CG TYR A 149 77.291 18.823 -6.942 1.00 25.00 C ATOM 1081 CD1 TYR A 149 77.053 17.877 -5.921 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.652 18.353 -8.220 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.177 16.487 -6.179 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.764 16.963 -8.479 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.525 16.043 -7.457 1.00 25.00 C ATOM 1086 OH TYR A 149 77.627 14.703 -7.730 1.00 25.00 O ATOM 0 H TYR A 149 78.570 22.687 -6.175 1.00 25.00 H new ATOM 0 HA TYR A 149 77.515 20.409 -4.577 1.00 25.00 H new ATOM 0 HB2 TYR A 149 76.105 20.540 -6.521 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.473 20.848 -7.573 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.774 18.215 -4.934 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.846 19.060 -9.013 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.002 15.773 -5.388 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.034 16.617 -9.466 1.00 25.00 H new ATOM 0 HH TYR A 149 77.133 14.193 -7.055 1.00 25.00 H new ATOM 1096 N ALA A 150 79.818 19.377 -4.819 1.00 25.00 N ATOM 1097 CA ALA A 150 81.206 18.883 -4.810 1.00 25.00 C ATOM 1098 C ALA A 150 82.207 20.051 -4.664 1.00 25.00 C ATOM 1099 O ALA A 150 83.197 20.137 -5.390 1.00 25.00 O ATOM 1100 CB ALA A 150 81.486 18.061 -6.090 1.00 25.00 C ATOM 0 H ALA A 150 79.205 18.899 -4.159 1.00 25.00 H new ATOM 0 HA ALA A 150 81.338 18.230 -3.947 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.515 17.701 -6.073 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.804 17.211 -6.133 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.337 18.691 -6.967 1.00 25.00 H new ATOM 1106 N GLU A 151 81.880 20.959 -3.746 1.00 25.00 N ATOM 1107 CA GLU A 151 82.662 22.179 -3.449 1.00 25.00 C ATOM 1108 C GLU A 151 82.841 23.152 -4.634 1.00 25.00 C ATOM 1109 O GLU A 151 83.575 24.135 -4.535 1.00 25.00 O ATOM 1110 CB GLU A 151 84.030 21.826 -2.841 1.00 25.00 C ATOM 1111 CG GLU A 151 83.926 21.001 -1.565 1.00 25.00 C ATOM 1112 CD GLU A 151 85.243 20.948 -0.804 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.274 20.573 -1.404 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.248 21.304 0.394 1.00 25.00 O1- ATOM 0 H GLU A 151 81.044 20.873 -3.168 1.00 25.00 H new ATOM 0 HA GLU A 151 82.056 22.718 -2.721 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.615 21.274 -3.576 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.574 22.746 -2.627 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.154 21.425 -0.923 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.612 19.988 -1.815 1.00 25.00 H new ATOM 1121 N ARG A 152 82.130 22.918 -5.729 1.00 25.00 N ATOM 1122 CA ARG A 152 82.197 23.785 -6.905 1.00 25.00 C ATOM 1123 C ARG A 152 80.833 24.428 -7.174 1.00 25.00 C ATOM 1124 O ARG A 152 79.809 23.752 -7.111 1.00 25.00 O ATOM 1125 CB ARG A 152 82.640 22.943 -8.102 1.00 25.00 C ATOM 1126 CG ARG A 152 82.991 23.756 -9.342 1.00 25.00 C ATOM 1127 CD ARG A 152 83.693 22.899 -10.385 1.00 25.00 C ATOM 1128 NE ARG A 152 84.983 22.400 -9.876 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.882 21.726 -10.581 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.707 21.441 -11.849 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 86.980 21.333 -9.997 1.00 25.00 N ATOM 0 H ARG A 152 81.493 22.128 -5.830 1.00 25.00 H new ATOM 0 HA ARG A 152 82.914 24.588 -6.734 1.00 25.00 H new ATOM 0 HB2 ARG A 152 83.507 22.349 -7.813 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.844 22.243 -8.354 1.00 25.00 H new ATOM 0 HG2 ARG A 152 82.083 24.182 -9.769 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.633 24.591 -9.062 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.056 22.058 -10.659 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.857 23.483 -11.291 1.00 25.00 H new ATOM 0 HE ARG A 152 85.203 22.589 -8.898 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.856 21.740 -12.326 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.421 20.921 -12.358 1.00 25.00 H new ATOM 0 HH21 ARG A 152 87.138 21.545 -9.012 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.681 20.814 -10.525 1.00 25.00 H new ATOM 1145 N PRO A 153 80.793 25.745 -7.452 1.00 25.00 N ATOM 1146 CA PRO A 153 79.459 26.287 -7.725 1.00 25.00 C ATOM 1147 C PRO A 153 78.880 25.760 -9.034 1.00 25.00 C ATOM 1148 O PRO A 153 79.609 25.481 -9.987 1.00 25.00 O ATOM 1149 CB PRO A 153 79.707 27.795 -7.793 1.00 25.00 C ATOM 1150 CG PRO A 153 81.108 27.909 -8.262 1.00 25.00 C ATOM 1151 CD PRO A 153 81.826 26.791 -7.554 1.00 25.00 C ATOM 0 HA PRO A 153 78.728 26.002 -6.969 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.015 28.282 -8.480 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.573 28.266 -6.819 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.175 27.803 -9.345 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.535 28.880 -8.009 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.693 26.448 -8.118 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.186 27.100 -6.573 1.00 25.00 H new ATOM 1159 N LEU A 154 77.565 25.628 -9.069 1.00 25.00 N ATOM 1160 CA LEU A 154 76.862 25.153 -10.260 1.00 25.00 C ATOM 1161 C LEU A 154 76.500 26.380 -11.093 1.00 0.00 C ATOM 1162 O LEU A 154 75.717 27.218 -10.648 1.00 25.00 O ATOM 1163 CB LEU A 154 75.591 24.398 -9.859 1.00 25.00 C ATOM 1164 CG LEU A 154 75.787 23.136 -8.998 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.682 23.029 -7.963 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.796 21.898 -9.862 1.00 25.00 C ATOM 0 H LEU A 154 76.954 25.844 -8.282 1.00 25.00 H new ATOM 0 HA LEU A 154 77.492 24.470 -10.830 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.943 25.085 -9.315 1.00 25.00 H new ATOM 0 HB3 LEU A 154 75.062 24.112 -10.768 1.00 25.00 H new ATOM 0 HG LEU A 154 76.748 23.217 -8.490 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.833 22.133 -7.361 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.702 23.907 -7.317 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.717 22.970 -8.466 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.936 21.018 -9.235 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.848 21.818 -10.393 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.611 21.963 -10.583 1.00 25.00 H new ATOM 1178 N THR A 155 77.112 26.519 -12.260 1.00 25.00 N ATOM 1179 CA THR A 155 76.938 27.723 -13.084 1.00 25.00 C ATOM 1180 C THR A 155 76.173 27.496 -14.383 1.00 25.00 C ATOM 1181 O THR A 155 75.562 28.417 -14.915 1.00 25.00 O ATOM 1182 CB THR A 155 78.315 28.302 -13.464 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.086 27.293 -14.127 1.00 25.00 O ATOM 1184 CG2 THR A 155 79.086 28.735 -12.218 1.00 25.00 C ATOM 0 H THR A 155 77.734 25.819 -12.664 1.00 25.00 H new ATOM 0 HA THR A 155 76.352 28.404 -12.466 1.00 25.00 H new ATOM 0 HB THR A 155 78.153 29.163 -14.112 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.962 27.658 -14.372 1.00 25.00 H new ATOM 0 HG21 THR A 155 80.054 29.140 -12.512 1.00 25.00 H new ATOM 0 HG22 THR A 155 78.519 29.499 -11.687 1.00 25.00 H new ATOM 0 HG23 THR A 155 79.236 27.875 -11.565 1.00 25.00 H new ATOM 1192 N ASP A 156 76.212 26.282 -14.906 1.00 25.00 N ATOM 1193 CA ASP A 156 75.556 25.990 -16.178 1.00 25.00 C ATOM 1194 C ASP A 156 74.103 25.630 -15.899 1.00 25.00 C ATOM 1195 O ASP A 156 73.790 24.494 -15.555 1.00 25.00 O ATOM 1196 CB ASP A 156 76.251 24.834 -16.909 1.00 25.00 C ATOM 1197 CG ASP A 156 77.736 25.070 -17.099 1.00 25.00 C ATOM 1198 OD1 ASP A 156 78.144 26.222 -17.358 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.505 24.095 -16.943 1.00 25.00 O1- ATOM 0 H ASP A 156 76.685 25.487 -14.477 1.00 25.00 H new ATOM 0 HA ASP A 156 75.614 26.869 -16.820 1.00 25.00 H new ATOM 0 HB2 ASP A 156 76.103 23.912 -16.346 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.783 24.691 -17.883 1.00 25.00 H new ATOM 1204 N ASN A 157 73.213 26.605 -15.997 1.00 25.00 N ATOM 1205 CA ASN A 157 71.802 26.372 -15.687 1.00 25.00 C ATOM 1206 C ASN A 157 71.123 25.428 -16.683 1.00 25.00 C ATOM 1207 O ASN A 157 70.188 24.723 -16.328 1.00 25.00 O ATOM 1208 CB ASN A 157 71.045 27.702 -15.656 1.00 25.00 C ATOM 1209 CG ASN A 157 71.141 28.392 -14.321 1.00 25.00 C ATOM 1210 OD1 ASN A 157 71.636 29.495 -14.219 1.00 25.00 O ATOM 1211 ND2 ASN A 157 70.651 27.751 -13.294 1.00 25.00 N ATOM 0 H ASN A 157 73.434 27.558 -16.285 1.00 25.00 H new ATOM 0 HA ASN A 157 71.772 25.894 -14.708 1.00 25.00 H new ATOM 0 HB2 ASN A 157 71.441 28.359 -16.430 1.00 25.00 H new ATOM 0 HB3 ASN A 157 69.996 27.525 -15.895 1.00 25.00 H new ATOM 0 HD21 ASN A 157 70.677 28.177 -12.367 1.00 25.00 H new ATOM 0 HD22 ASN A 157 70.243 26.825 -13.418 1.00 25.00 H new ATOM 1218 N HIS A 158 71.600 25.420 -17.918 1.00 25.00 N ATOM 1219 CA HIS A 158 71.008 24.598 -18.981 1.00 25.00 C ATOM 1220 C HIS A 158 71.425 23.121 -18.873 1.00 25.00 C ATOM 1221 O HIS A 158 70.880 22.256 -19.546 1.00 25.00 O ATOM 1222 CB HIS A 158 71.427 25.177 -20.340 1.00 25.00 C ATOM 1223 CG HIS A 158 70.707 24.581 -21.513 1.00 25.00 C ATOM 1224 ND1 HIS A 158 69.401 24.153 -21.498 1.00 25.00 N ATOM 1225 CD2 HIS A 158 71.136 24.346 -22.784 1.00 25.00 C ATOM 1226 CE1 HIS A 158 69.101 23.689 -22.704 1.00 25.00 C ATOM 1227 NE2 HIS A 158 70.122 23.790 -23.534 1.00 25.00 N ATOM 0 H HIS A 158 72.401 25.975 -18.218 1.00 25.00 H new ATOM 0 HA HIS A 158 69.923 24.624 -18.877 1.00 25.00 H new ATOM 0 HB2 HIS A 158 71.255 26.253 -20.332 1.00 25.00 H new ATOM 0 HB3 HIS A 158 72.498 25.026 -20.471 1.00 25.00 H new ATOM 0 HD1 HIS A 158 68.771 24.186 -20.697 1.00 25.00 H new ATOM 0 HD2 HIS A 158 72.128 24.564 -23.151 1.00 25.00 H new ATOM 0 HE1 HIS A 158 68.139 23.279 -22.974 1.00 25.00 H new ATOM 1235 N ARG A 159 72.385 22.817 -18.011 1.00 25.00 N ATOM 1236 CA ARG A 159 72.773 21.423 -17.807 1.00 25.00 C ATOM 1237 C ARG A 159 71.670 20.738 -17.025 1.00 25.00 C ATOM 1238 O ARG A 159 71.126 21.318 -16.090 1.00 25.00 O ATOM 1239 CB ARG A 159 74.061 21.320 -16.997 1.00 25.00 C ATOM 1240 CG ARG A 159 75.318 21.164 -17.817 1.00 25.00 C ATOM 1241 CD ARG A 159 76.479 20.857 -16.887 1.00 25.00 C ATOM 1242 NE ARG A 159 77.546 20.111 -17.567 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.547 19.491 -16.953 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.688 19.508 -15.650 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.419 18.834 -17.665 1.00 25.00 N ATOM 0 H ARG A 159 72.901 23.497 -17.452 1.00 25.00 H new ATOM 0 HA ARG A 159 72.932 20.957 -18.780 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.156 22.213 -16.379 1.00 25.00 H new ATOM 0 HB3 ARG A 159 73.979 20.470 -16.319 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.196 20.362 -18.545 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.517 22.077 -18.379 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.883 21.789 -16.492 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.119 20.280 -16.036 1.00 25.00 H new ATOM 0 HE ARG A 159 77.516 20.066 -18.586 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.015 20.010 -15.071 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.471 19.019 -15.215 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.327 18.801 -18.680 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.193 18.353 -17.207 1.00 25.00 H new ATOM 1259 N SER A 160 71.395 19.487 -17.348 1.00 25.00 N ATOM 1260 CA SER A 160 70.473 18.694 -16.546 1.00 25.00 C ATOM 1261 C SER A 160 71.229 18.199 -15.319 1.00 25.00 C ATOM 1262 O SER A 160 72.462 18.261 -15.274 1.00 25.00 O ATOM 1263 CB SER A 160 69.930 17.512 -17.349 1.00 25.00 C ATOM 1264 OG SER A 160 70.973 16.639 -17.754 1.00 25.00 O ATOM 0 H SER A 160 71.791 18.999 -18.152 1.00 25.00 H new ATOM 0 HA SER A 160 69.620 19.304 -16.248 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.207 16.962 -16.747 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.399 17.880 -18.227 1.00 25.00 H new ATOM 0 HG SER A 160 70.595 15.892 -18.264 1.00 25.00 H new ATOM 1270 N LEU A 161 70.516 17.687 -14.333 1.00 25.00 N ATOM 1271 CA LEU A 161 71.151 17.150 -13.129 1.00 25.00 C ATOM 1272 C LEU A 161 72.046 15.968 -13.493 1.00 25.00 C ATOM 1273 O LEU A 161 73.181 15.859 -13.011 1.00 25.00 O ATOM 1274 CB LEU A 161 70.076 16.719 -12.132 1.00 25.00 C ATOM 1275 CG LEU A 161 69.229 17.877 -11.578 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.077 17.315 -10.808 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.042 18.801 -10.680 1.00 25.00 C ATOM 0 H LEU A 161 69.498 17.629 -14.336 1.00 25.00 H new ATOM 0 HA LEU A 161 71.769 17.922 -12.671 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.415 16.000 -12.616 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.554 16.203 -11.300 1.00 25.00 H new ATOM 0 HG LEU A 161 68.873 18.469 -12.421 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.472 18.130 -10.412 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.467 16.696 -11.466 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.452 16.708 -9.984 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.404 19.604 -10.311 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.436 18.234 -9.836 1.00 25.00 H new ATOM 0 HD23 LEU A 161 70.869 19.227 -11.249 1.00 25.00 H new ATOM 1289 N ALA A 162 71.581 15.136 -14.414 1.00 25.00 N ATOM 1290 CA ALA A 162 72.376 14.011 -14.901 1.00 25.00 C ATOM 1291 C ALA A 162 73.686 14.488 -15.546 1.00 25.00 C ATOM 1292 O ALA A 162 74.701 13.804 -15.472 1.00 25.00 O ATOM 1293 CB ALA A 162 71.559 13.193 -15.902 1.00 25.00 C ATOM 0 H ALA A 162 70.658 15.216 -14.841 1.00 25.00 H new ATOM 0 HA ALA A 162 72.635 13.383 -14.048 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.157 12.356 -16.262 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.660 12.814 -15.415 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.277 13.825 -16.744 1.00 25.00 H new ATOM 1299 N SER A 163 73.679 15.680 -16.131 1.00 25.00 N ATOM 1300 CA SER A 163 74.884 16.233 -16.756 1.00 25.00 C ATOM 1301 C SER A 163 75.934 16.648 -15.723 1.00 25.00 C ATOM 1302 O SER A 163 77.109 16.795 -16.058 1.00 25.00 O ATOM 1303 CB SER A 163 74.539 17.444 -17.619 1.00 25.00 C ATOM 1304 OG SER A 163 73.590 17.114 -18.617 1.00 25.00 O ATOM 0 H SER A 163 72.858 16.283 -16.188 1.00 25.00 H new ATOM 0 HA SER A 163 75.302 15.439 -17.375 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.144 18.241 -16.989 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.445 17.828 -18.089 1.00 25.00 H new ATOM 0 HG SER A 163 72.715 16.969 -18.201 1.00 25.00 H new ATOM 1310 N TYR A 164 75.525 16.822 -14.472 1.00 25.00 N ATOM 1311 CA TYR A 164 76.466 17.120 -13.392 1.00 25.00 C ATOM 1312 C TYR A 164 76.835 15.844 -12.649 1.00 25.00 C ATOM 1313 O TYR A 164 77.731 15.848 -11.814 1.00 25.00 O ATOM 1314 CB TYR A 164 75.847 18.090 -12.390 1.00 25.00 C ATOM 1315 CG TYR A 164 75.863 19.531 -12.831 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.057 20.281 -12.775 1.00 25.00 C ATOM 1317 CD2 TYR A 164 74.689 20.171 -13.275 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.071 21.650 -13.145 1.00 25.00 C ATOM 1319 CE2 TYR A 164 74.705 21.534 -13.642 1.00 25.00 C ATOM 1320 CZ TYR A 164 75.891 22.260 -13.563 1.00 25.00 C ATOM 1321 OH TYR A 164 75.894 23.582 -13.886 1.00 25.00 O ATOM 0 H TYR A 164 74.550 16.763 -14.178 1.00 25.00 H new ATOM 0 HA TYR A 164 77.354 17.567 -13.840 1.00 25.00 H new ATOM 0 HB2 TYR A 164 74.816 17.791 -12.202 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.381 18.006 -11.443 1.00 25.00 H new ATOM 0 HD1 TYR A 164 77.970 19.807 -12.447 1.00 25.00 H new ATOM 0 HD2 TYR A 164 73.767 19.613 -13.335 1.00 25.00 H new ATOM 0 HE1 TYR A 164 77.990 22.215 -13.103 1.00 25.00 H new ATOM 0 HE2 TYR A 164 73.799 22.013 -13.983 1.00 25.00 H new ATOM 0 HH TYR A 164 75.101 23.789 -14.423 1.00 25.00 H new ATOM 1331 N GLY A 165 76.117 14.767 -12.931 1.00 25.00 N ATOM 1332 CA GLY A 165 76.308 13.528 -12.199 1.00 25.00 C ATOM 1333 C GLY A 165 75.561 13.562 -10.879 1.00 25.00 C ATOM 1334 O GLY A 165 75.877 12.807 -9.959 1.00 25.00 O ATOM 0 H GLY A 165 75.402 14.727 -13.657 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.958 12.688 -12.799 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.371 13.368 -12.017 1.00 25.00 H new ATOM 1338 N LEU A 166 74.564 14.437 -10.787 1.00 25.00 N ATOM 1339 CA LEU A 166 73.766 14.586 -9.568 1.00 25.00 C ATOM 1340 C LEU A 166 72.755 13.453 -9.465 1.00 25.00 C ATOM 1341 O LEU A 166 71.583 13.600 -9.785 1.00 25.00 O ATOM 1342 CB LEU A 166 73.064 15.948 -9.550 1.00 25.00 C ATOM 1343 CG LEU A 166 73.963 17.070 -9.028 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.484 18.438 -9.478 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.000 17.014 -7.509 1.00 25.00 C ATOM 0 H LEU A 166 74.286 15.059 -11.546 1.00 25.00 H new ATOM 0 HA LEU A 166 74.429 14.537 -8.704 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.732 16.194 -10.559 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.172 15.884 -8.927 1.00 25.00 H new ATOM 0 HG LEU A 166 74.962 16.921 -9.438 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.151 19.205 -9.085 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.482 18.483 -10.567 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.474 18.610 -9.106 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.640 17.812 -7.131 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.991 17.140 -7.116 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.396 16.050 -7.190 1.00 25.00 H new ATOM 1357 N LYS A 167 73.273 12.305 -9.066 1.00 25.00 N ATOM 1358 CA LYS A 167 72.511 11.068 -8.921 1.00 25.00 C ATOM 1359 C LYS A 167 71.564 11.098 -7.727 1.00 25.00 C ATOM 1360 O LYS A 167 71.707 11.908 -6.805 1.00 25.00 O ATOM 1361 CB LYS A 167 73.500 9.918 -8.717 1.00 25.00 C ATOM 1362 CG LYS A 167 74.332 10.104 -7.452 1.00 25.00 C ATOM 1363 CD LYS A 167 75.310 9.002 -7.230 1.00 25.00 C ATOM 1364 CE LYS A 167 76.027 9.269 -5.922 1.00 25.00 C ATOM 1365 NZ LYS A 167 77.041 8.220 -5.633 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.259 12.200 -8.827 1.00 25.00 H new ATOM 0 HA LYS A 167 71.909 10.941 -9.821 1.00 25.00 H new ATOM 0 HB2 LYS A 167 72.955 8.976 -8.658 1.00 25.00 H new ATOM 0 HB3 LYS A 167 74.162 9.850 -9.581 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.868 11.051 -7.513 1.00 25.00 H new ATOM 0 HG3 LYS A 167 73.666 10.169 -6.592 1.00 25.00 H new ATOM 0 HD2 LYS A 167 74.799 8.040 -7.195 1.00 25.00 H new ATOM 0 HD3 LYS A 167 76.023 8.954 -8.053 1.00 25.00 H new ATOM 0 HE2 LYS A 167 76.512 10.244 -5.964 1.00 25.00 H new ATOM 0 HE3 LYS A 167 75.301 9.309 -5.110 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 77.513 8.433 -4.731 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 76.573 7.293 -5.569 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 77.747 8.199 -6.397 1.00 25.00 H new ATOM 1379 N ASP A 168 70.664 10.136 -7.696 1.00 25.00 N ATOM 1380 CA ASP A 168 69.798 9.948 -6.550 1.00 25.00 C ATOM 1381 C ASP A 168 70.660 9.691 -5.314 1.00 25.00 C ATOM 1382 O ASP A 168 71.610 8.905 -5.336 1.00 25.00 O ATOM 1383 CB ASP A 168 68.828 8.780 -6.781 1.00 25.00 C ATOM 1384 CG ASP A 168 69.546 7.457 -7.050 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.246 7.351 -8.090 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.352 6.506 -6.264 1.00 25.00 O1- ATOM 0 H ASP A 168 70.513 9.470 -8.454 1.00 25.00 H new ATOM 0 HA ASP A 168 69.201 10.848 -6.400 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.186 8.669 -5.907 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.179 9.014 -7.625 1.00 25.00 H new ATOM 1391 N GLY A 169 70.352 10.415 -4.253 1.00 25.00 N ATOM 1392 CA GLY A 169 71.076 10.285 -3.005 1.00 25.00 C ATOM 1393 C GLY A 169 72.191 11.297 -2.858 1.00 25.00 C ATOM 1394 O GLY A 169 72.778 11.397 -1.782 1.00 25.00 O ATOM 0 H GLY A 169 69.600 11.103 -4.233 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.379 10.397 -2.174 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.494 9.281 -2.937 1.00 25.00 H new ATOM 1398 N ASP A 170 72.497 12.056 -3.903 1.00 25.00 N ATOM 1399 CA ASP A 170 73.547 13.067 -3.784 1.00 25.00 C ATOM 1400 C ASP A 170 73.027 14.341 -3.099 1.00 25.00 C ATOM 1401 O ASP A 170 71.815 14.502 -2.890 1.00 25.00 O ATOM 1402 CB ASP A 170 74.153 13.385 -5.145 1.00 25.00 C ATOM 1403 CG ASP A 170 75.665 13.480 -5.085 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.188 13.999 -4.074 1.00 25.00 O ATOM 1405 OD2 ASP A 170 76.341 12.984 -6.013 1.00 25.00 O1- ATOM 0 H ASP A 170 72.050 11.997 -4.818 1.00 25.00 H new ATOM 0 HA ASP A 170 74.333 12.654 -3.152 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.866 12.613 -5.859 1.00 25.00 H new ATOM 0 HB3 ASP A 170 73.745 14.326 -5.513 1.00 25.00 H new ATOM 1410 N VAL A 171 73.941 15.216 -2.703 1.00 25.00 N ATOM 1411 CA VAL A 171 73.597 16.395 -1.901 1.00 25.00 C ATOM 1412 C VAL A 171 74.266 17.678 -2.417 1.00 25.00 C ATOM 1413 O VAL A 171 75.422 17.665 -2.851 1.00 25.00 O ATOM 1414 CB VAL A 171 73.965 16.130 -0.387 1.00 25.00 C ATOM 1415 CG1 VAL A 171 75.440 15.738 -0.232 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.640 17.341 0.513 1.00 25.00 C ATOM 0 H VAL A 171 74.934 15.136 -2.923 1.00 25.00 H new ATOM 0 HA VAL A 171 72.523 16.557 -1.991 1.00 25.00 H new ATOM 0 HB VAL A 171 73.345 15.296 -0.059 1.00 25.00 H new ATOM 0 HG11 VAL A 171 75.661 15.563 0.821 1.00 25.00 H new ATOM 0 HG12 VAL A 171 75.637 14.829 -0.800 1.00 25.00 H new ATOM 0 HG13 VAL A 171 76.072 16.544 -0.606 1.00 25.00 H new ATOM 0 HG21 VAL A 171 73.910 17.111 1.544 1.00 25.00 H new ATOM 0 HG22 VAL A 171 74.206 18.208 0.174 1.00 25.00 H new ATOM 0 HG23 VAL A 171 72.574 17.560 0.458 1.00 25.00 H new ATOM 1426 N VAL A 172 73.540 18.792 -2.361 1.00 25.00 N ATOM 1427 CA VAL A 172 74.082 20.096 -2.753 1.00 25.00 C ATOM 1428 C VAL A 172 73.942 21.056 -1.576 1.00 25.00 C ATOM 1429 O VAL A 172 73.172 20.798 -0.648 1.00 25.00 O ATOM 1430 CB VAL A 172 73.351 20.679 -3.999 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.513 19.747 -5.197 1.00 25.00 C ATOM 1432 CG2 VAL A 172 71.868 20.886 -3.718 1.00 25.00 C ATOM 0 H VAL A 172 72.570 18.820 -2.047 1.00 25.00 H new ATOM 0 HA VAL A 172 75.130 19.968 -3.022 1.00 25.00 H new ATOM 0 HB VAL A 172 73.804 21.644 -4.226 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.996 20.169 -6.059 1.00 25.00 H new ATOM 0 HG12 VAL A 172 74.572 19.633 -5.429 1.00 25.00 H new ATOM 0 HG13 VAL A 172 73.087 18.772 -4.960 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.383 21.294 -4.605 1.00 25.00 H new ATOM 0 HG22 VAL A 172 71.410 19.931 -3.460 1.00 25.00 H new ATOM 0 HG23 VAL A 172 71.749 21.581 -2.887 1.00 25.00 H new ATOM 1442 N ILE A 173 74.679 22.155 -1.608 1.00 25.00 N ATOM 1443 CA ILE A 173 74.626 23.154 -0.542 1.00 25.00 C ATOM 1444 C ILE A 173 74.322 24.514 -1.162 1.00 25.00 C ATOM 1445 O ILE A 173 75.056 24.988 -2.022 1.00 25.00 O ATOM 1446 CB ILE A 173 75.971 23.231 0.252 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.346 21.837 0.809 1.00 25.00 C ATOM 1448 CG2 ILE A 173 75.853 24.262 1.417 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.749 21.752 1.437 1.00 25.00 C ATOM 0 H ILE A 173 75.326 22.382 -2.363 1.00 25.00 H new ATOM 0 HA ILE A 173 73.845 22.865 0.162 1.00 25.00 H new ATOM 0 HB ILE A 173 76.758 23.559 -0.427 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.609 21.550 1.559 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.279 21.108 0.001 1.00 25.00 H new ATOM 0 HG21 ILE A 173 76.796 24.305 1.961 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.623 25.247 1.010 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.057 23.955 2.095 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.924 20.739 1.800 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.499 22.004 0.687 1.00 25.00 H new ATOM 0 HD13 ILE A 173 77.818 22.453 2.269 1.00 25.00 H new ATOM 1461 N LEU A 174 73.246 25.145 -0.723 1.00 25.00 N ATOM 1462 CA LEU A 174 72.871 26.473 -1.201 1.00 25.00 C ATOM 1463 C LEU A 174 73.223 27.463 -0.104 1.00 25.00 C ATOM 1464 O LEU A 174 72.954 27.209 1.058 1.00 25.00 O ATOM 1465 CB LEU A 174 71.370 26.520 -1.514 1.00 25.00 C ATOM 1466 CG LEU A 174 70.881 27.873 -2.062 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.938 27.665 -3.236 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.170 28.673 -0.971 1.00 25.00 C ATOM 0 H LEU A 174 72.608 24.757 -0.028 1.00 25.00 H new ATOM 0 HA LEU A 174 73.403 26.720 -2.120 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.137 25.741 -2.240 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.814 26.286 -0.606 1.00 25.00 H new ATOM 0 HG LEU A 174 71.753 28.432 -2.400 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.603 28.633 -3.610 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.458 27.130 -4.030 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.075 27.083 -2.911 1.00 25.00 H new ATOM 0 HD21 LEU A 174 69.833 29.626 -1.380 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.311 28.109 -0.608 1.00 25.00 H new ATOM 0 HD23 LEU A 174 70.859 28.856 -0.146 1.00 25.00 H new ATOM 1480 N ARG A 175 73.858 28.571 -0.457 1.00 25.00 N ATOM 1481 CA ARG A 175 74.270 29.575 0.528 1.00 25.00 C ATOM 1482 C ARG A 175 73.764 30.959 0.148 1.00 25.00 C ATOM 1483 O ARG A 175 74.172 31.523 -0.866 1.00 25.00 O ATOM 1484 CB ARG A 175 75.797 29.598 0.639 1.00 25.00 C ATOM 1485 CG ARG A 175 76.402 28.249 1.040 1.00 25.00 C ATOM 1486 CD ARG A 175 77.910 28.340 1.209 1.00 25.00 C ATOM 1487 NE ARG A 175 78.281 29.153 2.381 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.523 29.463 2.737 1.00 25.00 C ATOM 1489 NH1 ARG A 175 80.566 29.070 2.047 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 79.716 30.183 3.807 1.00 25.00 N ATOM 0 H ARG A 175 74.102 28.803 -1.420 1.00 25.00 H new ATOM 0 HA ARG A 175 73.835 29.304 1.490 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.218 29.906 -0.318 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.089 30.350 1.372 1.00 25.00 H new ATOM 0 HG2 ARG A 175 75.951 27.910 1.972 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.165 27.503 0.281 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.325 27.338 1.316 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.351 28.774 0.311 1.00 25.00 H new ATOM 0 HE ARG A 175 77.523 29.506 2.966 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.439 28.507 1.206 1.00 25.00 H new ATOM 0 HH12 ARG A 175 81.505 29.327 2.351 1.00 25.00 H new ATOM 0 HH21 ARG A 175 78.919 30.501 4.359 1.00 25.00 H new ATOM 0 HH22 ARG A 175 80.664 30.429 4.092 1.00 25.00 H new ATOM 1504 N GLN A 176 72.889 31.518 0.987 1.00 25.00 N ATOM 1505 CA GLN A 176 72.360 32.885 0.814 1.00 25.00 C ATOM 1506 C GLN A 176 73.191 33.886 1.616 1.00 25.00 C ATOM 1507 O GLN A 176 73.298 33.898 2.829 1.00 25.00 O ATOM 1508 CB GLN A 176 70.867 32.980 1.205 1.00 25.00 C ATOM 1509 CG GLN A 176 70.271 34.355 0.799 1.00 25.00 C ATOM 1510 CD GLN A 176 68.877 34.545 1.355 1.00 25.00 C ATOM 1511 OE1 GLN A 176 68.511 34.076 2.413 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.058 35.302 0.636 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.777 34.681 0.935 1.00 25.00 O ATOM 0 H GLN A 176 72.523 31.039 1.810 1.00 25.00 H new ATOM 0 HA GLN A 176 72.435 33.133 -0.245 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.309 32.180 0.719 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.759 32.836 2.280 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.919 35.154 1.160 1.00 25.00 H new ATOM 0 HG3 GLN A 176 70.243 34.433 -0.288 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.373 35.693 -0.252 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.114 35.493 0.971 1.00 25.00 H new TER 1523 GLN A 176