USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 137 ASN : amide:sc= -11.6! C(o=-12!,f=-14!) USER MOD Set 2.1: A 110 THR OG1 : rot -38:sc= 0.0663 USER MOD Set 2.2: A 115 LYS NZ :NH3+ 180:sc= 0.0659 (180deg=0) USER MOD Set 3.1: A 94 LYS NZ :NH3+ 162:sc= -0.739 (180deg=-1.3!) USER MOD Set 3.2: A 107 HIS : no HD1:sc= -0.552 K(o=-1.3,f=-2.4) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0961 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.941 F(o=-3!,f=-0.94) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 109 MET CE :methyl -135:sc= -0.142 (180deg=-1.05) USER MOD Single : A 111 ASN :FLIP amide:sc= -1.34! C(o=-4.3!,f=-1.3!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 124 MET CE :methyl 142:sc= -1.71! (180deg=-4.08!) USER MOD Single : A 135 GLN : amide:sc= -3.14! C(o=-3.1!,f=-9!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 157:sc= -0.0201 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -20.900 -0.112 4.292 1.00 0.00 N ATOM 2 CA MET A 76 -22.182 0.629 4.461 1.00 0.00 C ATOM 3 C MET A 76 -23.102 0.332 3.277 1.00 0.00 C ATOM 4 O MET A 76 -23.338 1.177 2.438 1.00 0.00 O ATOM 5 CB MET A 76 -21.901 2.130 4.521 1.00 0.00 C ATOM 6 CG MET A 76 -21.276 2.480 5.871 1.00 0.00 C ATOM 7 SD MET A 76 -21.894 4.088 6.424 1.00 0.00 S ATOM 8 CE MET A 76 -21.363 3.952 8.148 1.00 0.00 C ATOM 0 HA MET A 76 -22.664 0.312 5.386 1.00 0.00 H new ATOM 0 HB2 MET A 76 -21.229 2.417 3.712 1.00 0.00 H new ATOM 0 HB3 MET A 76 -22.826 2.689 4.381 1.00 0.00 H new ATOM 0 HG2 MET A 76 -21.519 1.713 6.606 1.00 0.00 H new ATOM 0 HG3 MET A 76 -20.190 2.506 5.785 1.00 0.00 H new ATOM 0 HE1 MET A 76 -21.648 4.855 8.689 1.00 0.00 H new ATOM 0 HE2 MET A 76 -21.841 3.087 8.609 1.00 0.00 H new ATOM 0 HE3 MET A 76 -20.280 3.832 8.187 1.00 0.00 H new ATOM 20 N LYS A 77 -23.623 -0.861 3.202 1.00 0.00 N ATOM 21 CA LYS A 77 -24.529 -1.206 2.071 1.00 0.00 C ATOM 22 C LYS A 77 -23.732 -1.226 0.767 1.00 0.00 C ATOM 23 O LYS A 77 -23.558 -0.213 0.118 1.00 0.00 O ATOM 24 CB LYS A 77 -25.640 -0.159 1.972 1.00 0.00 C ATOM 25 CG LYS A 77 -26.712 -0.643 0.994 1.00 0.00 C ATOM 26 CD LYS A 77 -28.025 0.093 1.269 1.00 0.00 C ATOM 27 CE LYS A 77 -27.853 1.580 0.956 1.00 0.00 C ATOM 28 NZ LYS A 77 -28.039 1.802 -0.506 1.00 0.00 N ATOM 0 H LYS A 77 -23.461 -1.611 3.874 1.00 0.00 H new ATOM 0 HA LYS A 77 -24.968 -2.189 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -26.080 0.014 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -25.229 0.793 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -26.391 -0.464 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -26.857 -1.718 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -28.824 -0.328 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -28.316 -0.039 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -28.578 2.168 1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -26.862 1.916 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -27.922 2.813 -0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -27.331 1.252 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -28.993 1.496 -0.785 1.00 0.00 H new ATOM 42 N ASP A 78 -23.248 -2.371 0.374 1.00 0.00 N ATOM 43 CA ASP A 78 -22.467 -2.454 -0.889 1.00 0.00 C ATOM 44 C ASP A 78 -22.036 -3.900 -1.130 1.00 0.00 C ATOM 45 O ASP A 78 -22.092 -4.731 -0.244 1.00 0.00 O ATOM 46 CB ASP A 78 -21.227 -1.562 -0.784 1.00 0.00 C ATOM 47 CG ASP A 78 -21.099 -0.714 -2.050 1.00 0.00 C ATOM 48 OD1 ASP A 78 -21.680 0.358 -2.084 1.00 0.00 O ATOM 49 OD2 ASP A 78 -20.420 -1.151 -2.967 1.00 0.00 O ATOM 0 H ASP A 78 -23.360 -3.253 0.874 1.00 0.00 H new ATOM 0 HA ASP A 78 -23.087 -2.117 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -21.303 -0.918 0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -20.335 -2.175 -0.653 1.00 0.00 H new ATOM 54 N THR A 79 -21.605 -4.208 -2.320 1.00 0.00 N ATOM 55 CA THR A 79 -21.169 -5.599 -2.616 1.00 0.00 C ATOM 56 C THR A 79 -19.866 -5.888 -1.868 1.00 0.00 C ATOM 57 O THR A 79 -19.182 -4.988 -1.433 1.00 0.00 O ATOM 58 CB THR A 79 -20.942 -5.751 -4.122 1.00 0.00 C ATOM 59 OG1 THR A 79 -20.637 -4.483 -4.683 1.00 0.00 O ATOM 60 CG2 THR A 79 -22.207 -6.311 -4.774 1.00 0.00 C ATOM 0 H THR A 79 -21.536 -3.556 -3.101 1.00 0.00 H new ATOM 0 HA THR A 79 -21.937 -6.302 -2.294 1.00 0.00 H new ATOM 0 HB THR A 79 -20.112 -6.435 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 79 -20.490 -4.579 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 79 -22.046 -6.419 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 79 -22.439 -7.284 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 79 -23.039 -5.629 -4.599 1.00 0.00 H new ATOM 68 N ASP A 80 -19.520 -7.141 -1.728 1.00 0.00 N ATOM 69 CA ASP A 80 -18.261 -7.512 -1.019 1.00 0.00 C ATOM 70 C ASP A 80 -18.045 -6.610 0.205 1.00 0.00 C ATOM 71 O ASP A 80 -18.470 -6.928 1.299 1.00 0.00 O ATOM 72 CB ASP A 80 -17.089 -7.375 -1.988 1.00 0.00 C ATOM 73 CG ASP A 80 -16.514 -8.760 -2.291 1.00 0.00 C ATOM 74 OD1 ASP A 80 -17.296 -9.668 -2.519 1.00 0.00 O ATOM 75 OD2 ASP A 80 -15.300 -8.889 -2.289 1.00 0.00 O ATOM 0 H ASP A 80 -20.062 -7.931 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.333 -8.542 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.420 -6.897 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.319 -6.736 -1.556 1.00 0.00 H new ATOM 80 N SER A 81 -17.388 -5.491 0.039 1.00 0.00 N ATOM 81 CA SER A 81 -17.152 -4.587 1.198 1.00 0.00 C ATOM 82 C SER A 81 -16.314 -3.390 0.748 1.00 0.00 C ATOM 83 O SER A 81 -15.150 -3.521 0.426 1.00 0.00 O ATOM 84 CB SER A 81 -16.404 -5.347 2.290 1.00 0.00 C ATOM 85 OG SER A 81 -17.121 -5.240 3.513 1.00 0.00 O ATOM 0 H SER A 81 -17.006 -5.167 -0.849 1.00 0.00 H new ATOM 0 HA SER A 81 -18.108 -4.237 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.294 -6.395 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.399 -4.942 2.408 1.00 0.00 H new ATOM 0 HG SER A 81 -16.644 -5.729 4.216 1.00 0.00 H new ATOM 91 N GLU A 82 -16.895 -2.223 0.723 1.00 0.00 N ATOM 92 CA GLU A 82 -16.128 -1.020 0.297 1.00 0.00 C ATOM 93 C GLU A 82 -15.015 -0.751 1.308 1.00 0.00 C ATOM 94 O GLU A 82 -14.094 -0.002 1.051 1.00 0.00 O ATOM 95 CB GLU A 82 -17.066 0.186 0.230 1.00 0.00 C ATOM 96 CG GLU A 82 -17.582 0.507 1.634 1.00 0.00 C ATOM 97 CD GLU A 82 -18.923 1.237 1.532 1.00 0.00 C ATOM 98 OE1 GLU A 82 -19.282 1.623 0.432 1.00 0.00 O ATOM 99 OE2 GLU A 82 -19.566 1.399 2.556 1.00 0.00 O ATOM 0 H GLU A 82 -17.867 -2.051 0.979 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.693 -1.191 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.540 1.047 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.902 -0.026 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.699 -0.412 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.859 1.125 2.166 1.00 0.00 H new ATOM 106 N GLU A 83 -15.094 -1.362 2.456 1.00 0.00 N ATOM 107 CA GLU A 83 -14.046 -1.152 3.488 1.00 0.00 C ATOM 108 C GLU A 83 -12.874 -2.100 3.225 1.00 0.00 C ATOM 109 O GLU A 83 -11.766 -1.868 3.663 1.00 0.00 O ATOM 110 CB GLU A 83 -14.624 -1.435 4.877 1.00 0.00 C ATOM 111 CG GLU A 83 -15.549 -0.288 5.288 1.00 0.00 C ATOM 112 CD GLU A 83 -16.748 -0.848 6.054 1.00 0.00 C ATOM 113 OE1 GLU A 83 -16.844 -2.060 6.160 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.550 -0.057 6.521 1.00 0.00 O ATOM 0 H GLU A 83 -15.843 -2.000 2.724 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.700 -0.119 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.175 -2.375 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.818 -1.544 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.007 0.425 5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.889 0.253 4.405 1.00 0.00 H new ATOM 121 N GLU A 84 -13.110 -3.165 2.510 1.00 0.00 N ATOM 122 CA GLU A 84 -12.008 -4.123 2.220 1.00 0.00 C ATOM 123 C GLU A 84 -10.911 -3.401 1.437 1.00 0.00 C ATOM 124 O GLU A 84 -9.777 -3.837 1.388 1.00 0.00 O ATOM 125 CB GLU A 84 -12.551 -5.287 1.388 1.00 0.00 C ATOM 126 CG GLU A 84 -12.074 -6.609 1.991 1.00 0.00 C ATOM 127 CD GLU A 84 -12.171 -7.715 0.939 1.00 0.00 C ATOM 128 OE1 GLU A 84 -11.484 -7.614 -0.064 1.00 0.00 O ATOM 129 OE2 GLU A 84 -12.933 -8.644 1.153 1.00 0.00 O ATOM 0 H GLU A 84 -14.017 -3.413 2.115 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.598 -4.508 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.640 -5.256 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.210 -5.201 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.045 -6.512 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.681 -6.865 2.860 1.00 0.00 H new ATOM 136 N ILE A 85 -11.239 -2.294 0.828 1.00 0.00 N ATOM 137 CA ILE A 85 -10.225 -1.538 0.053 1.00 0.00 C ATOM 138 C ILE A 85 -10.020 -0.163 0.693 1.00 0.00 C ATOM 139 O ILE A 85 -8.909 0.267 0.920 1.00 0.00 O ATOM 140 CB ILE A 85 -10.703 -1.364 -1.389 1.00 0.00 C ATOM 141 CG1 ILE A 85 -11.253 -2.691 -1.910 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.532 -0.921 -2.267 1.00 0.00 C ATOM 143 CD1 ILE A 85 -12.565 -2.443 -2.657 1.00 0.00 C ATOM 0 H ILE A 85 -12.172 -1.882 0.836 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.283 -2.087 0.056 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.487 -0.608 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.528 -3.162 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.419 -3.379 -1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.874 -0.797 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.139 0.027 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.747 -1.676 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.957 -3.390 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -13.290 -1.991 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.385 -1.771 -3.496 1.00 0.00 H new ATOM 155 N ARG A 86 -11.088 0.531 0.990 1.00 0.00 N ATOM 156 CA ARG A 86 -10.949 1.876 1.620 1.00 0.00 C ATOM 157 C ARG A 86 -10.133 1.749 2.905 1.00 0.00 C ATOM 158 O ARG A 86 -9.262 2.550 3.182 1.00 0.00 O ATOM 159 CB ARG A 86 -12.334 2.431 1.955 1.00 0.00 C ATOM 160 CG ARG A 86 -12.500 3.813 1.317 1.00 0.00 C ATOM 161 CD ARG A 86 -13.982 4.193 1.306 1.00 0.00 C ATOM 162 NE ARG A 86 -14.125 5.641 1.629 1.00 0.00 N ATOM 163 CZ ARG A 86 -15.308 6.194 1.634 1.00 0.00 C ATOM 164 NH1 ARG A 86 -16.299 5.606 2.246 1.00 0.00 N ATOM 165 NH2 ARG A 86 -15.497 7.333 1.030 1.00 0.00 N ATOM 0 H ARG A 86 -12.047 0.225 0.824 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.445 2.551 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.106 1.755 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.458 2.501 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.927 4.554 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.108 3.806 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.415 3.983 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.528 3.591 2.033 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.300 6.200 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.149 4.715 2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.223 6.037 2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.721 7.792 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.421 7.765 1.034 1.00 0.00 H new ATOM 179 N GLU A 87 -10.406 0.745 3.691 1.00 0.00 N ATOM 180 CA GLU A 87 -9.646 0.565 4.957 1.00 0.00 C ATOM 181 C GLU A 87 -8.328 -0.146 4.663 1.00 0.00 C ATOM 182 O GLU A 87 -7.336 0.093 5.313 1.00 0.00 O ATOM 183 CB GLU A 87 -10.470 -0.265 5.939 1.00 0.00 C ATOM 184 CG GLU A 87 -11.757 0.484 6.289 1.00 0.00 C ATOM 185 CD GLU A 87 -11.601 1.157 7.654 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.801 0.482 8.650 1.00 0.00 O ATOM 187 OE2 GLU A 87 -11.285 2.335 7.679 1.00 0.00 O ATOM 0 H GLU A 87 -11.123 0.042 3.511 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.441 1.541 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.709 -1.234 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.892 -0.458 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.974 1.231 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.599 -0.208 6.307 1.00 0.00 H new ATOM 194 N ALA A 88 -8.300 -1.007 3.683 1.00 0.00 N ATOM 195 CA ALA A 88 -7.026 -1.703 3.361 1.00 0.00 C ATOM 196 C ALA A 88 -5.997 -0.648 2.958 1.00 0.00 C ATOM 197 O ALA A 88 -4.804 -0.831 3.109 1.00 0.00 O ATOM 198 CB ALA A 88 -7.247 -2.681 2.205 1.00 0.00 C ATOM 0 H ALA A 88 -9.097 -1.256 3.097 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.673 -2.263 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.310 -3.188 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.998 -3.418 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.591 -2.135 1.327 1.00 0.00 H new ATOM 204 N PHE A 89 -6.458 0.464 2.454 1.00 0.00 N ATOM 205 CA PHE A 89 -5.531 1.547 2.048 1.00 0.00 C ATOM 206 C PHE A 89 -4.836 2.106 3.280 1.00 0.00 C ATOM 207 O PHE A 89 -3.626 2.128 3.372 1.00 0.00 O ATOM 208 CB PHE A 89 -6.315 2.668 1.376 1.00 0.00 C ATOM 209 CG PHE A 89 -5.369 3.800 1.076 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.467 3.681 0.016 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.389 4.963 1.854 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.582 4.723 -0.272 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.504 6.009 1.567 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.601 5.891 0.503 1.00 0.00 C ATOM 0 H PHE A 89 -7.447 0.666 2.307 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.793 1.145 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.778 2.308 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.120 3.010 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.454 2.782 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.086 5.053 2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.884 4.629 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.518 6.907 2.166 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.920 6.699 0.280 1.00 0.00 H new ATOM 224 N ARG A 90 -5.601 2.564 4.228 1.00 0.00 N ATOM 225 CA ARG A 90 -5.001 3.130 5.464 1.00 0.00 C ATOM 226 C ARG A 90 -4.244 2.027 6.202 1.00 0.00 C ATOM 227 O ARG A 90 -3.312 2.285 6.937 1.00 0.00 O ATOM 228 CB ARG A 90 -6.114 3.672 6.358 1.00 0.00 C ATOM 229 CG ARG A 90 -5.975 5.188 6.491 1.00 0.00 C ATOM 230 CD ARG A 90 -7.180 5.744 7.249 1.00 0.00 C ATOM 231 NE ARG A 90 -7.410 4.939 8.482 1.00 0.00 N ATOM 232 CZ ARG A 90 -8.585 4.939 9.054 1.00 0.00 C ATOM 233 NH1 ARG A 90 -9.570 4.271 8.520 1.00 0.00 N ATOM 234 NH2 ARG A 90 -8.773 5.612 10.156 1.00 0.00 N ATOM 0 H ARG A 90 -6.621 2.571 4.199 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.314 3.937 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.087 3.422 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.064 3.205 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.054 5.435 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.909 5.646 5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.007 6.788 7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.066 5.717 6.614 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.650 4.388 8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.423 3.749 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.487 4.271 8.966 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.003 6.138 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.690 5.613 10.603 1.00 0.00 H new ATOM 248 N VAL A 91 -4.629 0.797 6.000 1.00 0.00 N ATOM 249 CA VAL A 91 -3.920 -0.321 6.680 1.00 0.00 C ATOM 250 C VAL A 91 -2.430 -0.181 6.378 1.00 0.00 C ATOM 251 O VAL A 91 -1.581 -0.527 7.176 1.00 0.00 O ATOM 252 CB VAL A 91 -4.453 -1.658 6.153 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.470 -2.780 6.487 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.801 -1.956 6.815 1.00 0.00 C ATOM 0 H VAL A 91 -5.402 0.519 5.395 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.084 -0.289 7.757 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.573 -1.597 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.856 -3.727 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.507 -2.570 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.345 -2.845 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.186 -2.906 6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.671 -2.014 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.507 -1.161 6.577 1.00 0.00 H new ATOM 264 N PHE A 92 -2.115 0.362 5.235 1.00 0.00 N ATOM 265 CA PHE A 92 -0.690 0.576 4.870 1.00 0.00 C ATOM 266 C PHE A 92 -0.336 2.022 5.206 1.00 0.00 C ATOM 267 O PHE A 92 0.780 2.339 5.566 1.00 0.00 O ATOM 268 CB PHE A 92 -0.500 0.350 3.367 1.00 0.00 C ATOM 269 CG PHE A 92 -0.544 -1.128 3.057 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.634 -1.882 3.075 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.763 -1.742 2.742 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.594 -3.251 2.783 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.803 -3.110 2.449 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.624 -3.864 2.468 1.00 0.00 C ATOM 0 H PHE A 92 -2.790 0.668 4.534 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.052 -0.119 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.280 0.870 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.453 0.769 3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.575 -1.408 3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.672 -1.160 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.503 -3.834 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.743 -3.584 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.654 -4.919 2.240 1.00 0.00 H new ATOM 284 N ASP A 93 -1.296 2.898 5.083 1.00 0.00 N ATOM 285 CA ASP A 93 -1.067 4.334 5.380 1.00 0.00 C ATOM 286 C ASP A 93 -1.580 4.653 6.786 1.00 0.00 C ATOM 287 O ASP A 93 -2.744 4.941 6.980 1.00 0.00 O ATOM 288 CB ASP A 93 -1.843 5.162 4.358 1.00 0.00 C ATOM 289 CG ASP A 93 -1.295 6.589 4.323 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.187 6.766 3.843 1.00 0.00 O ATOM 291 OD2 ASP A 93 -1.992 7.482 4.777 1.00 0.00 O ATOM 0 H ASP A 93 -2.244 2.671 4.784 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.003 4.565 5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.761 4.707 3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.902 5.176 4.616 1.00 0.00 H new ATOM 296 N LYS A 94 -0.726 4.605 7.770 1.00 0.00 N ATOM 297 CA LYS A 94 -1.173 4.906 9.157 1.00 0.00 C ATOM 298 C LYS A 94 -1.359 6.409 9.321 1.00 0.00 C ATOM 299 O LYS A 94 -2.095 6.866 10.173 1.00 0.00 O ATOM 300 CB LYS A 94 -0.126 4.417 10.148 1.00 0.00 C ATOM 301 CG LYS A 94 -0.076 2.889 10.129 1.00 0.00 C ATOM 302 CD LYS A 94 0.541 2.408 8.814 1.00 0.00 C ATOM 303 CE LYS A 94 1.022 0.965 8.974 1.00 0.00 C ATOM 304 NZ LYS A 94 2.345 0.808 8.308 1.00 0.00 N ATOM 0 H LYS A 94 0.262 4.370 7.673 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.120 4.400 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.851 4.826 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.366 4.771 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.511 2.525 10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.081 2.482 10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.193 2.471 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.375 3.052 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.102 0.712 10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.298 0.278 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.812 -0.052 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.209 0.730 7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.939 1.635 8.517 1.00 0.00 H new ATOM 318 N ASP A 95 -0.704 7.181 8.511 1.00 0.00 N ATOM 319 CA ASP A 95 -0.852 8.656 8.619 1.00 0.00 C ATOM 320 C ASP A 95 -2.169 9.073 7.959 1.00 0.00 C ATOM 321 O ASP A 95 -2.506 10.240 7.925 1.00 0.00 O ATOM 322 CB ASP A 95 0.318 9.339 7.910 1.00 0.00 C ATOM 323 CG ASP A 95 1.588 9.175 8.746 1.00 0.00 C ATOM 324 OD1 ASP A 95 1.539 9.475 9.928 1.00 0.00 O ATOM 325 OD2 ASP A 95 2.588 8.751 8.191 1.00 0.00 O ATOM 0 H ASP A 95 -0.072 6.858 7.778 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.857 8.952 9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.462 8.903 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.101 10.397 7.764 1.00 0.00 H new ATOM 330 N GLY A 96 -2.918 8.117 7.453 1.00 0.00 N ATOM 331 CA GLY A 96 -4.229 8.427 6.797 1.00 0.00 C ATOM 332 C GLY A 96 -4.190 9.805 6.133 1.00 0.00 C ATOM 333 O GLY A 96 -5.158 10.539 6.151 1.00 0.00 O ATOM 0 H GLY A 96 -2.673 7.127 7.468 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.457 7.665 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.028 8.397 7.538 1.00 0.00 H new ATOM 337 N ASN A 97 -3.080 10.169 5.552 1.00 0.00 N ATOM 338 CA ASN A 97 -2.988 11.504 4.896 1.00 0.00 C ATOM 339 C ASN A 97 -3.552 11.421 3.475 1.00 0.00 C ATOM 340 O ASN A 97 -4.122 12.368 2.968 1.00 0.00 O ATOM 341 CB ASN A 97 -1.520 11.940 4.844 1.00 0.00 C ATOM 342 CG ASN A 97 -1.372 13.134 3.898 1.00 0.00 C ATOM 343 OD1 ASN A 97 -1.487 12.948 2.612 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 -1.144 14.244 4.334 1.00 0.00 N flip ATOM 0 H ASN A 97 -2.234 9.601 5.503 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.565 12.232 5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.175 12.209 5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.897 11.113 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.054 14.388 5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.042 15.032 3.695 1.00 0.00 H new ATOM 351 N GLY A 98 -3.396 10.301 2.827 1.00 0.00 N ATOM 352 CA GLY A 98 -3.921 10.161 1.439 1.00 0.00 C ATOM 353 C GLY A 98 -2.875 9.460 0.572 1.00 0.00 C ATOM 354 O GLY A 98 -3.199 8.702 -0.320 1.00 0.00 O ATOM 0 H GLY A 98 -2.927 9.475 3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.848 9.588 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.155 11.142 1.025 1.00 0.00 H new ATOM 358 N TYR A 99 -1.621 9.703 0.834 1.00 0.00 N ATOM 359 CA TYR A 99 -0.551 9.050 0.038 1.00 0.00 C ATOM 360 C TYR A 99 0.244 8.109 0.945 1.00 0.00 C ATOM 361 O TYR A 99 0.435 8.376 2.115 1.00 0.00 O ATOM 362 CB TYR A 99 0.384 10.111 -0.537 1.00 0.00 C ATOM 363 CG TYR A 99 0.004 10.415 -1.969 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.344 10.475 -2.346 1.00 0.00 C ATOM 365 CD2 TYR A 99 1.004 10.644 -2.920 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.688 10.763 -3.671 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.660 10.930 -4.244 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.687 10.992 -4.621 1.00 0.00 C ATOM 369 OH TYR A 99 -1.026 11.274 -5.927 1.00 0.00 O ATOM 0 H TYR A 99 -1.292 10.329 1.569 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.998 8.485 -0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.329 11.019 0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.415 9.761 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.118 10.299 -1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.044 10.600 -2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.727 10.809 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.434 11.103 -4.977 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.211 11.407 -6.455 1.00 0.00 H new ATOM 379 N ILE A 100 0.705 7.008 0.420 1.00 0.00 N ATOM 380 CA ILE A 100 1.480 6.052 1.255 1.00 0.00 C ATOM 381 C ILE A 100 2.975 6.242 0.993 1.00 0.00 C ATOM 382 O ILE A 100 3.439 6.131 -0.125 1.00 0.00 O ATOM 383 CB ILE A 100 1.067 4.625 0.892 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.328 4.340 1.471 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.077 3.635 1.482 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.025 3.245 0.661 1.00 0.00 C ATOM 0 H ILE A 100 0.578 6.730 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 100 1.277 6.233 2.311 1.00 0.00 H new ATOM 0 HB ILE A 100 1.044 4.515 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.241 4.032 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.928 5.250 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.783 2.618 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.068 3.841 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.100 3.742 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.012 3.053 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.129 3.569 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.431 2.332 0.698 1.00 0.00 H new ATOM 398 N SER A 101 3.733 6.524 2.016 1.00 0.00 N ATOM 399 CA SER A 101 5.195 6.717 1.826 1.00 0.00 C ATOM 400 C SER A 101 5.900 5.365 1.956 1.00 0.00 C ATOM 401 O SER A 101 5.272 4.344 2.150 1.00 0.00 O ATOM 402 CB SER A 101 5.726 7.679 2.890 1.00 0.00 C ATOM 403 OG SER A 101 6.350 6.936 3.930 1.00 0.00 O ATOM 0 H SER A 101 3.402 6.629 2.975 1.00 0.00 H new ATOM 0 HA SER A 101 5.386 7.135 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.440 8.373 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.910 8.277 3.295 1.00 0.00 H new ATOM 0 HG SER A 101 6.692 7.551 4.612 1.00 0.00 H new ATOM 409 N ALA A 102 7.199 5.348 1.855 1.00 0.00 N ATOM 410 CA ALA A 102 7.932 4.059 1.981 1.00 0.00 C ATOM 411 C ALA A 102 7.910 3.606 3.440 1.00 0.00 C ATOM 412 O ALA A 102 7.825 2.432 3.736 1.00 0.00 O ATOM 413 CB ALA A 102 9.381 4.246 1.529 1.00 0.00 C ATOM 0 H ALA A 102 7.783 6.168 1.691 1.00 0.00 H new ATOM 0 HA ALA A 102 7.453 3.306 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.916 3.301 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.399 4.572 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.863 4.999 2.153 1.00 0.00 H new ATOM 419 N ALA A 103 7.990 4.532 4.355 1.00 0.00 N ATOM 420 CA ALA A 103 7.978 4.161 5.793 1.00 0.00 C ATOM 421 C ALA A 103 6.625 3.554 6.158 1.00 0.00 C ATOM 422 O ALA A 103 6.527 2.717 7.032 1.00 0.00 O ATOM 423 CB ALA A 103 8.225 5.409 6.646 1.00 0.00 C ATOM 0 H ALA A 103 8.063 5.532 4.166 1.00 0.00 H new ATOM 0 HA ALA A 103 8.764 3.430 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.216 5.136 7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.194 5.838 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.441 6.142 6.454 1.00 0.00 H new ATOM 429 N GLU A 104 5.580 3.965 5.498 1.00 0.00 N ATOM 430 CA GLU A 104 4.240 3.403 5.816 1.00 0.00 C ATOM 431 C GLU A 104 4.131 1.999 5.224 1.00 0.00 C ATOM 432 O GLU A 104 3.345 1.185 5.668 1.00 0.00 O ATOM 433 CB GLU A 104 3.160 4.305 5.221 1.00 0.00 C ATOM 434 CG GLU A 104 3.234 5.682 5.885 1.00 0.00 C ATOM 435 CD GLU A 104 3.289 5.514 7.406 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.271 5.165 7.982 1.00 0.00 O ATOM 437 OE2 GLU A 104 4.348 5.739 7.970 1.00 0.00 O ATOM 0 H GLU A 104 5.595 4.663 4.755 1.00 0.00 H new ATOM 0 HA GLU A 104 4.106 3.349 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.300 4.399 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.175 3.865 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.116 6.219 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.366 6.279 5.606 1.00 0.00 H new ATOM 444 N LEU A 105 4.920 1.710 4.227 1.00 0.00 N ATOM 445 CA LEU A 105 4.875 0.359 3.604 1.00 0.00 C ATOM 446 C LEU A 105 5.963 -0.524 4.227 1.00 0.00 C ATOM 447 O LEU A 105 5.993 -1.722 4.022 1.00 0.00 O ATOM 448 CB LEU A 105 5.115 0.487 2.099 1.00 0.00 C ATOM 449 CG LEU A 105 5.083 -0.898 1.454 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.690 -1.506 1.622 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.404 -0.773 -0.037 1.00 0.00 C ATOM 0 H LEU A 105 5.596 2.354 3.816 1.00 0.00 H new ATOM 0 HA LEU A 105 3.899 -0.094 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.352 1.125 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.078 0.963 1.913 1.00 0.00 H new ATOM 0 HG LEU A 105 5.822 -1.539 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.666 -2.494 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.457 -1.594 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.952 -0.864 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.381 -1.760 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.664 -0.132 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.396 -0.338 -0.160 1.00 0.00 H new ATOM 463 N ARG A 106 6.855 0.058 4.984 1.00 0.00 N ATOM 464 CA ARG A 106 7.937 -0.748 5.617 1.00 0.00 C ATOM 465 C ARG A 106 7.451 -1.290 6.964 1.00 0.00 C ATOM 466 O ARG A 106 7.672 -2.437 7.298 1.00 0.00 O ATOM 467 CB ARG A 106 9.167 0.138 5.834 1.00 0.00 C ATOM 468 CG ARG A 106 10.194 -0.605 6.687 1.00 0.00 C ATOM 469 CD ARG A 106 11.275 0.374 7.147 1.00 0.00 C ATOM 470 NE ARG A 106 12.598 -0.065 6.624 1.00 0.00 N ATOM 471 CZ ARG A 106 13.686 0.551 6.996 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.846 1.816 6.717 1.00 0.00 N ATOM 473 NH2 ARG A 106 14.613 -0.097 7.646 1.00 0.00 N ATOM 0 H ARG A 106 6.880 1.057 5.191 1.00 0.00 H new ATOM 0 HA ARG A 106 8.199 -1.582 4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.606 0.409 4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.876 1.067 6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.707 -1.058 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.642 -1.416 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.046 1.378 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.300 0.420 8.236 1.00 0.00 H new ATOM 0 HE ARG A 106 12.654 -0.849 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.121 2.322 6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.696 2.299 7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.487 -1.086 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.464 0.385 7.937 1.00 0.00 H new ATOM 487 N HIS A 107 6.789 -0.476 7.740 1.00 0.00 N ATOM 488 CA HIS A 107 6.289 -0.951 9.063 1.00 0.00 C ATOM 489 C HIS A 107 5.299 -2.098 8.851 1.00 0.00 C ATOM 490 O HIS A 107 5.312 -3.079 9.566 1.00 0.00 O ATOM 491 CB HIS A 107 5.592 0.203 9.791 1.00 0.00 C ATOM 492 CG HIS A 107 4.791 -0.336 10.947 1.00 0.00 C ATOM 493 ND1 HIS A 107 5.250 -1.374 11.746 1.00 0.00 N ATOM 494 CD2 HIS A 107 3.559 0.005 11.448 1.00 0.00 C ATOM 495 CE1 HIS A 107 4.306 -1.617 12.675 1.00 0.00 C ATOM 496 NE2 HIS A 107 3.255 -0.804 12.538 1.00 0.00 N ATOM 0 H HIS A 107 6.573 0.495 7.517 1.00 0.00 H new ATOM 0 HA HIS A 107 7.127 -1.303 9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.332 0.918 10.151 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.939 0.739 9.102 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.922 0.784 11.055 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.389 -2.377 13.438 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.411 -0.781 13.110 1.00 0.00 H new ATOM 504 N VAL A 108 4.438 -1.983 7.880 1.00 0.00 N ATOM 505 CA VAL A 108 3.451 -3.072 7.634 1.00 0.00 C ATOM 506 C VAL A 108 4.170 -4.270 7.011 1.00 0.00 C ATOM 507 O VAL A 108 3.899 -5.407 7.334 1.00 0.00 O ATOM 508 CB VAL A 108 2.338 -2.548 6.708 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.877 -3.636 5.729 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.147 -2.108 7.561 1.00 0.00 C ATOM 0 H VAL A 108 4.374 -1.185 7.247 1.00 0.00 H new ATOM 0 HA VAL A 108 2.996 -3.392 8.571 1.00 0.00 H new ATOM 0 HB VAL A 108 2.730 -1.709 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.091 -3.239 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.720 -3.954 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.493 -4.489 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.354 -1.735 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.777 -2.957 8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.460 -1.317 8.243 1.00 0.00 H new ATOM 520 N MET A 109 5.081 -4.023 6.122 1.00 0.00 N ATOM 521 CA MET A 109 5.813 -5.147 5.480 1.00 0.00 C ATOM 522 C MET A 109 6.708 -5.833 6.515 1.00 0.00 C ATOM 523 O MET A 109 7.164 -6.942 6.316 1.00 0.00 O ATOM 524 CB MET A 109 6.673 -4.612 4.335 1.00 0.00 C ATOM 525 CG MET A 109 5.845 -4.578 3.050 1.00 0.00 C ATOM 526 SD MET A 109 5.495 -6.271 2.513 1.00 0.00 S ATOM 527 CE MET A 109 5.670 -5.982 0.734 1.00 0.00 C ATOM 0 H MET A 109 5.353 -3.091 5.809 1.00 0.00 H new ATOM 0 HA MET A 109 5.096 -5.867 5.087 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.035 -3.612 4.574 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.550 -5.244 4.199 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.913 -4.039 3.219 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.386 -4.042 2.270 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.847 -6.463 0.205 1.00 0.00 H new ATOM 0 HE2 MET A 109 5.652 -4.910 0.536 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.616 -6.399 0.389 1.00 0.00 H new ATOM 537 N THR A 110 6.965 -5.186 7.621 1.00 0.00 N ATOM 538 CA THR A 110 7.833 -5.816 8.656 1.00 0.00 C ATOM 539 C THR A 110 6.964 -6.500 9.718 1.00 0.00 C ATOM 540 O THR A 110 7.416 -7.378 10.426 1.00 0.00 O ATOM 541 CB THR A 110 8.726 -4.747 9.302 1.00 0.00 C ATOM 542 OG1 THR A 110 9.863 -5.374 9.879 1.00 0.00 O ATOM 543 CG2 THR A 110 7.949 -4.002 10.386 1.00 0.00 C ATOM 0 H THR A 110 6.614 -4.256 7.851 1.00 0.00 H new ATOM 0 HA THR A 110 8.468 -6.568 8.188 1.00 0.00 H new ATOM 0 HB THR A 110 9.044 -4.035 8.540 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.597 -6.228 10.280 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.590 -3.246 10.839 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.077 -3.521 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.624 -4.707 11.151 1.00 0.00 H new ATOM 551 N ASN A 111 5.722 -6.112 9.834 1.00 0.00 N ATOM 552 CA ASN A 111 4.842 -6.756 10.851 1.00 0.00 C ATOM 553 C ASN A 111 4.907 -8.278 10.670 1.00 0.00 C ATOM 554 O ASN A 111 5.033 -9.023 11.621 1.00 0.00 O ATOM 555 CB ASN A 111 3.396 -6.250 10.684 1.00 0.00 C ATOM 556 CG ASN A 111 2.613 -7.147 9.717 1.00 0.00 C ATOM 557 OD1 ASN A 111 1.826 -8.069 10.196 1.00 0.00 O flip ATOM 558 ND2 ASN A 111 2.720 -7.007 8.515 1.00 0.00 N flip ATOM 0 H ASN A 111 5.282 -5.383 9.273 1.00 0.00 H new ATOM 0 HA ASN A 111 5.180 -6.500 11.855 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.898 -6.231 11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.405 -5.226 10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.335 -6.286 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.194 -7.610 7.882 1.00 0.00 H new ATOM 565 N LEU A 112 4.825 -8.737 9.451 1.00 0.00 N ATOM 566 CA LEU A 112 4.883 -10.202 9.198 1.00 0.00 C ATOM 567 C LEU A 112 5.441 -10.456 7.795 1.00 0.00 C ATOM 568 O LEU A 112 5.289 -11.526 7.241 1.00 0.00 O ATOM 569 CB LEU A 112 3.478 -10.791 9.307 1.00 0.00 C ATOM 570 CG LEU A 112 3.071 -10.868 10.780 1.00 0.00 C ATOM 571 CD1 LEU A 112 1.690 -11.512 10.900 1.00 0.00 C ATOM 572 CD2 LEU A 112 4.094 -11.712 11.544 1.00 0.00 C ATOM 0 H LEU A 112 4.720 -8.158 8.618 1.00 0.00 H new ATOM 0 HA LEU A 112 5.532 -10.675 9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.769 -10.174 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.453 -11.784 8.859 1.00 0.00 H new ATOM 0 HG LEU A 112 3.037 -9.863 11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.403 -11.565 11.950 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.961 -10.913 10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.720 -12.518 10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.807 -11.769 12.594 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.125 -12.716 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.079 -11.253 11.461 1.00 0.00 H new ATOM 584 N GLY A 113 6.092 -9.481 7.218 1.00 0.00 N ATOM 585 CA GLY A 113 6.663 -9.671 5.853 1.00 0.00 C ATOM 586 C GLY A 113 8.189 -9.608 5.931 1.00 0.00 C ATOM 587 O GLY A 113 8.848 -9.121 5.034 1.00 0.00 O ATOM 0 H GLY A 113 6.253 -8.563 7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.347 -10.631 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.290 -8.900 5.179 1.00 0.00 H new ATOM 591 N GLU A 114 8.753 -10.097 7.001 1.00 0.00 N ATOM 592 CA GLU A 114 10.238 -10.068 7.148 1.00 0.00 C ATOM 593 C GLU A 114 10.725 -8.618 7.159 1.00 0.00 C ATOM 594 O GLU A 114 9.945 -7.693 7.259 1.00 0.00 O ATOM 595 CB GLU A 114 10.886 -10.816 5.981 1.00 0.00 C ATOM 596 CG GLU A 114 10.713 -12.323 6.182 1.00 0.00 C ATOM 597 CD GLU A 114 11.894 -12.872 6.985 1.00 0.00 C ATOM 598 OE1 GLU A 114 13.017 -12.702 6.539 1.00 0.00 O ATOM 599 OE2 GLU A 114 11.655 -13.453 8.030 1.00 0.00 O ATOM 0 H GLU A 114 8.249 -10.517 7.782 1.00 0.00 H new ATOM 0 HA GLU A 114 10.516 -10.550 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.429 -10.509 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.945 -10.566 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.779 -12.525 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.652 -12.824 5.216 1.00 0.00 H new ATOM 606 N LYS A 115 12.010 -8.414 7.062 1.00 0.00 N ATOM 607 CA LYS A 115 12.548 -7.024 7.074 1.00 0.00 C ATOM 608 C LYS A 115 12.813 -6.557 5.639 1.00 0.00 C ATOM 609 O LYS A 115 13.891 -6.733 5.108 1.00 0.00 O ATOM 610 CB LYS A 115 13.854 -6.995 7.872 1.00 0.00 C ATOM 611 CG LYS A 115 14.290 -5.545 8.084 1.00 0.00 C ATOM 612 CD LYS A 115 14.409 -5.259 9.582 1.00 0.00 C ATOM 613 CE LYS A 115 13.892 -3.850 9.875 1.00 0.00 C ATOM 614 NZ LYS A 115 12.632 -3.937 10.665 1.00 0.00 N ATOM 0 H LYS A 115 12.711 -9.150 6.975 1.00 0.00 H new ATOM 0 HA LYS A 115 11.820 -6.358 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.716 -7.489 8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 115 14.630 -7.545 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.246 -5.367 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.567 -4.867 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.837 -5.993 10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.448 -5.350 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.642 -3.284 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.713 -3.316 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.280 -2.979 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.917 -4.462 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.818 -4.431 11.561 1.00 0.00 H new ATOM 628 N LEU A 116 11.836 -5.957 5.011 1.00 0.00 N ATOM 629 CA LEU A 116 12.031 -5.473 3.612 1.00 0.00 C ATOM 630 C LEU A 116 13.211 -4.505 3.571 1.00 0.00 C ATOM 631 O LEU A 116 13.299 -3.586 4.361 1.00 0.00 O ATOM 632 CB LEU A 116 10.771 -4.744 3.138 1.00 0.00 C ATOM 633 CG LEU A 116 10.063 -5.580 2.072 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.234 -6.673 2.749 1.00 0.00 C ATOM 635 CD2 LEU A 116 9.139 -4.676 1.245 1.00 0.00 C ATOM 0 H LEU A 116 10.912 -5.781 5.406 1.00 0.00 H new ATOM 0 HA LEU A 116 12.227 -6.325 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.102 -4.569 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.035 -3.767 2.732 1.00 0.00 H new ATOM 0 HG LEU A 116 10.804 -6.039 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.729 -7.270 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.889 -7.315 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.492 -6.215 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.633 -5.271 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.397 -4.218 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.729 -3.896 0.763 1.00 0.00 H new ATOM 647 N THR A 117 14.116 -4.691 2.651 1.00 0.00 N ATOM 648 CA THR A 117 15.278 -3.765 2.564 1.00 0.00 C ATOM 649 C THR A 117 14.837 -2.484 1.851 1.00 0.00 C ATOM 650 O THR A 117 13.703 -2.363 1.438 1.00 0.00 O ATOM 651 CB THR A 117 16.415 -4.437 1.792 1.00 0.00 C ATOM 652 OG1 THR A 117 17.378 -3.462 1.419 1.00 0.00 O ATOM 653 CG2 THR A 117 15.854 -5.106 0.544 1.00 0.00 C ATOM 0 H THR A 117 14.101 -5.440 1.959 1.00 0.00 H new ATOM 0 HA THR A 117 15.635 -3.519 3.564 1.00 0.00 H new ATOM 0 HB THR A 117 16.889 -5.188 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.107 -3.894 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.663 -5.585 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.118 -5.856 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.379 -4.356 -0.088 1.00 0.00 H new ATOM 661 N ASP A 118 15.706 -1.522 1.714 1.00 0.00 N ATOM 662 CA ASP A 118 15.305 -0.256 1.035 1.00 0.00 C ATOM 663 C ASP A 118 14.947 -0.537 -0.429 1.00 0.00 C ATOM 664 O ASP A 118 13.824 -0.342 -0.851 1.00 0.00 O ATOM 665 CB ASP A 118 16.454 0.747 1.096 1.00 0.00 C ATOM 666 CG ASP A 118 16.346 1.568 2.381 1.00 0.00 C ATOM 667 OD1 ASP A 118 16.603 1.014 3.438 1.00 0.00 O ATOM 668 OD2 ASP A 118 16.007 2.737 2.290 1.00 0.00 O ATOM 0 H ASP A 118 16.672 -1.556 2.040 1.00 0.00 H new ATOM 0 HA ASP A 118 14.434 0.158 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.410 0.224 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.423 1.405 0.228 1.00 0.00 H new ATOM 673 N GLU A 119 15.891 -0.990 -1.206 1.00 0.00 N ATOM 674 CA GLU A 119 15.609 -1.280 -2.643 1.00 0.00 C ATOM 675 C GLU A 119 14.317 -2.084 -2.768 1.00 0.00 C ATOM 676 O GLU A 119 13.484 -1.827 -3.613 1.00 0.00 O ATOM 677 CB GLU A 119 16.765 -2.091 -3.228 1.00 0.00 C ATOM 678 CG GLU A 119 16.784 -3.487 -2.602 1.00 0.00 C ATOM 679 CD GLU A 119 18.059 -4.218 -3.027 1.00 0.00 C ATOM 680 OE1 GLU A 119 18.145 -4.592 -4.186 1.00 0.00 O ATOM 681 OE2 GLU A 119 18.929 -4.390 -2.190 1.00 0.00 O ATOM 0 H GLU A 119 16.849 -1.173 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 119 15.501 -0.341 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.657 -2.168 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.711 -1.584 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.740 -3.411 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.906 -4.051 -2.917 1.00 0.00 H new ATOM 688 N GLU A 120 14.164 -3.063 -1.937 1.00 0.00 N ATOM 689 CA GLU A 120 12.942 -3.923 -1.981 1.00 0.00 C ATOM 690 C GLU A 120 11.688 -3.087 -1.699 1.00 0.00 C ATOM 691 O GLU A 120 10.661 -3.268 -2.319 1.00 0.00 O ATOM 692 CB GLU A 120 13.067 -5.017 -0.919 1.00 0.00 C ATOM 693 CG GLU A 120 11.740 -5.765 -0.789 1.00 0.00 C ATOM 694 CD GLU A 120 11.372 -6.399 -2.132 1.00 0.00 C ATOM 695 OE1 GLU A 120 12.203 -6.373 -3.025 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.266 -6.902 -2.243 1.00 0.00 O ATOM 0 H GLU A 120 14.839 -3.315 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 120 12.853 -4.366 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.862 -5.712 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.343 -4.577 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.819 -6.535 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.954 -5.079 -0.472 1.00 0.00 H new ATOM 703 N VAL A 121 11.759 -2.187 -0.757 1.00 0.00 N ATOM 704 CA VAL A 121 10.571 -1.349 -0.422 1.00 0.00 C ATOM 705 C VAL A 121 10.221 -0.435 -1.601 1.00 0.00 C ATOM 706 O VAL A 121 9.152 -0.529 -2.171 1.00 0.00 O ATOM 707 CB VAL A 121 10.881 -0.500 0.813 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.799 0.566 0.989 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.911 -1.401 2.049 1.00 0.00 C ATOM 0 H VAL A 121 12.593 -1.995 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 121 9.721 -1.999 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 121 11.849 -0.015 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.022 1.169 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.772 1.206 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.830 0.083 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.132 -0.801 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.941 -1.883 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.682 -2.162 1.926 1.00 0.00 H new ATOM 719 N ASP A 122 11.103 0.453 -1.970 1.00 0.00 N ATOM 720 CA ASP A 122 10.803 1.364 -3.110 1.00 0.00 C ATOM 721 C ASP A 122 10.416 0.531 -4.330 1.00 0.00 C ATOM 722 O ASP A 122 9.623 0.945 -5.150 1.00 0.00 O ATOM 723 CB ASP A 122 12.041 2.200 -3.438 1.00 0.00 C ATOM 724 CG ASP A 122 11.735 3.680 -3.208 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.875 4.202 -3.899 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.366 4.269 -2.345 1.00 0.00 O ATOM 0 H ASP A 122 12.015 0.587 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 122 9.981 2.027 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.878 1.890 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.339 2.036 -4.474 1.00 0.00 H new ATOM 731 N GLU A 123 10.966 -0.644 -4.453 1.00 0.00 N ATOM 732 CA GLU A 123 10.624 -1.508 -5.617 1.00 0.00 C ATOM 733 C GLU A 123 9.192 -2.020 -5.452 1.00 0.00 C ATOM 734 O GLU A 123 8.462 -2.176 -6.410 1.00 0.00 O ATOM 735 CB GLU A 123 11.593 -2.691 -5.683 1.00 0.00 C ATOM 736 CG GLU A 123 12.888 -2.250 -6.372 1.00 0.00 C ATOM 737 CD GLU A 123 13.787 -3.467 -6.606 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.344 -4.388 -7.272 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.906 -3.454 -6.119 1.00 0.00 O ATOM 0 H GLU A 123 11.638 -1.044 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 123 10.704 -0.933 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.808 -3.055 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.139 -3.517 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.660 -1.766 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.407 -1.515 -5.757 1.00 0.00 H new ATOM 746 N MET A 124 8.783 -2.272 -4.239 1.00 0.00 N ATOM 747 CA MET A 124 7.398 -2.759 -4.002 1.00 0.00 C ATOM 748 C MET A 124 6.419 -1.613 -4.267 1.00 0.00 C ATOM 749 O MET A 124 5.285 -1.825 -4.649 1.00 0.00 O ATOM 750 CB MET A 124 7.266 -3.247 -2.562 1.00 0.00 C ATOM 751 CG MET A 124 7.691 -4.715 -2.482 1.00 0.00 C ATOM 752 SD MET A 124 6.243 -5.774 -2.719 1.00 0.00 S ATOM 753 CE MET A 124 6.357 -5.910 -4.519 1.00 0.00 C ATOM 0 H MET A 124 9.352 -2.161 -3.400 1.00 0.00 H new ATOM 0 HA MET A 124 7.173 -3.589 -4.672 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.887 -2.641 -1.903 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.236 -3.136 -2.222 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.441 -4.930 -3.243 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.151 -4.920 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.086 -6.920 -4.825 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.676 -5.195 -4.982 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.378 -5.697 -4.836 1.00 0.00 H new ATOM 763 N ILE A 125 6.858 -0.397 -4.078 1.00 0.00 N ATOM 764 CA ILE A 125 5.973 0.770 -4.331 1.00 0.00 C ATOM 765 C ILE A 125 5.853 0.991 -5.840 1.00 0.00 C ATOM 766 O ILE A 125 4.793 1.272 -6.359 1.00 0.00 O ATOM 767 CB ILE A 125 6.582 2.016 -3.687 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.419 1.929 -2.163 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.865 3.261 -4.224 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.444 3.333 -1.548 1.00 0.00 C ATOM 0 H ILE A 125 7.798 -0.164 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 125 4.987 0.582 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 125 7.643 2.081 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.480 1.433 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.219 1.323 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.295 4.153 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.986 3.312 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.804 3.204 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.328 3.259 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.394 3.814 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.628 3.926 -1.961 1.00 0.00 H new ATOM 782 N ARG A 126 6.947 0.875 -6.538 1.00 0.00 N ATOM 783 CA ARG A 126 6.931 1.082 -8.016 1.00 0.00 C ATOM 784 C ARG A 126 5.928 0.128 -8.672 1.00 0.00 C ATOM 785 O ARG A 126 5.561 0.298 -9.817 1.00 0.00 O ATOM 786 CB ARG A 126 8.327 0.813 -8.581 1.00 0.00 C ATOM 787 CG ARG A 126 8.953 2.126 -9.055 1.00 0.00 C ATOM 788 CD ARG A 126 9.410 1.976 -10.507 1.00 0.00 C ATOM 789 NE ARG A 126 8.232 2.088 -11.413 1.00 0.00 N ATOM 790 CZ ARG A 126 8.340 1.750 -12.668 1.00 0.00 C ATOM 791 NH1 ARG A 126 9.508 1.755 -13.248 1.00 0.00 N ATOM 792 NH2 ARG A 126 7.278 1.408 -13.345 1.00 0.00 N ATOM 0 H ARG A 126 7.860 0.644 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 126 6.637 2.110 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.956 0.353 -7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.265 0.108 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.230 2.937 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.800 2.388 -8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.143 2.745 -10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.900 1.013 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 126 7.341 2.429 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.338 2.023 -12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.591 1.490 -14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 126 6.364 1.405 -12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 126 7.362 1.144 -14.327 1.00 0.00 H new ATOM 806 N GLU A 127 5.481 -0.873 -7.964 1.00 0.00 N ATOM 807 CA GLU A 127 4.503 -1.823 -8.564 1.00 0.00 C ATOM 808 C GLU A 127 3.094 -1.271 -8.373 1.00 0.00 C ATOM 809 O GLU A 127 2.219 -1.468 -9.193 1.00 0.00 O ATOM 810 CB GLU A 127 4.619 -3.181 -7.872 1.00 0.00 C ATOM 811 CG GLU A 127 6.096 -3.530 -7.675 1.00 0.00 C ATOM 812 CD GLU A 127 6.381 -4.901 -8.290 1.00 0.00 C ATOM 813 OE1 GLU A 127 5.465 -5.703 -8.348 1.00 0.00 O ATOM 814 OE2 GLU A 127 7.511 -5.124 -8.692 1.00 0.00 O ATOM 0 H GLU A 127 5.749 -1.073 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 127 4.710 -1.944 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.109 -3.155 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.130 -3.949 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.725 -2.772 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.341 -3.538 -6.613 1.00 0.00 H new ATOM 821 N ALA A 128 2.872 -0.572 -7.296 1.00 0.00 N ATOM 822 CA ALA A 128 1.527 0.005 -7.038 1.00 0.00 C ATOM 823 C ALA A 128 1.463 1.422 -7.617 1.00 0.00 C ATOM 824 O ALA A 128 0.422 2.048 -7.640 1.00 0.00 O ATOM 825 CB ALA A 128 1.292 0.058 -5.530 1.00 0.00 C ATOM 0 H ALA A 128 3.570 -0.375 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 128 0.761 -0.612 -7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.307 0.480 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.345 -0.950 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.055 0.681 -5.064 1.00 0.00 H new ATOM 831 N ASP A 129 2.572 1.932 -8.081 1.00 0.00 N ATOM 832 CA ASP A 129 2.577 3.307 -8.653 1.00 0.00 C ATOM 833 C ASP A 129 1.973 3.286 -10.059 1.00 0.00 C ATOM 834 O ASP A 129 2.145 2.343 -10.805 1.00 0.00 O ATOM 835 CB ASP A 129 4.018 3.818 -8.729 1.00 0.00 C ATOM 836 CG ASP A 129 4.177 5.029 -7.812 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.299 5.876 -7.820 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.176 5.089 -7.116 1.00 0.00 O ATOM 0 H ASP A 129 3.474 1.455 -8.088 1.00 0.00 H new ATOM 0 HA ASP A 129 1.985 3.964 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.711 3.030 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.265 4.090 -9.755 1.00 0.00 H new ATOM 843 N ILE A 130 1.275 4.325 -10.424 1.00 0.00 N ATOM 844 CA ILE A 130 0.664 4.377 -11.781 1.00 0.00 C ATOM 845 C ILE A 130 1.718 4.821 -12.787 1.00 0.00 C ATOM 846 O ILE A 130 1.785 4.333 -13.897 1.00 0.00 O ATOM 847 CB ILE A 130 -0.479 5.388 -11.779 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.524 4.957 -10.760 1.00 0.00 C ATOM 849 CG2 ILE A 130 -1.115 5.455 -13.169 1.00 0.00 C ATOM 850 CD1 ILE A 130 -1.891 3.502 -11.021 1.00 0.00 C ATOM 0 H ILE A 130 1.101 5.142 -9.839 1.00 0.00 H new ATOM 0 HA ILE A 130 0.285 3.391 -12.051 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.093 6.373 -11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.135 5.073 -9.748 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.409 5.589 -10.836 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.930 6.178 -13.162 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.365 5.761 -13.898 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.504 4.473 -13.439 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.640 3.180 -10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.295 3.404 -12.029 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.002 2.879 -10.924 1.00 0.00 H new ATOM 862 N ASP A 131 2.537 5.751 -12.400 1.00 0.00 N ATOM 863 CA ASP A 131 3.592 6.248 -13.320 1.00 0.00 C ATOM 864 C ASP A 131 4.967 5.835 -12.795 1.00 0.00 C ATOM 865 O ASP A 131 5.819 5.396 -13.543 1.00 0.00 O ATOM 866 CB ASP A 131 3.516 7.773 -13.401 1.00 0.00 C ATOM 867 CG ASP A 131 2.974 8.184 -14.772 1.00 0.00 C ATOM 868 OD1 ASP A 131 3.497 7.702 -15.763 1.00 0.00 O ATOM 869 OD2 ASP A 131 2.043 8.973 -14.806 1.00 0.00 O ATOM 0 H ASP A 131 2.522 6.192 -11.480 1.00 0.00 H new ATOM 0 HA ASP A 131 3.440 5.820 -14.311 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.870 8.158 -12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.504 8.206 -13.244 1.00 0.00 H new ATOM 874 N GLY A 132 5.196 5.971 -11.516 1.00 0.00 N ATOM 875 CA GLY A 132 6.521 5.586 -10.961 1.00 0.00 C ATOM 876 C GLY A 132 7.169 6.809 -10.317 1.00 0.00 C ATOM 877 O GLY A 132 8.362 7.018 -10.416 1.00 0.00 O ATOM 0 H GLY A 132 4.525 6.330 -10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.403 4.791 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.161 5.195 -11.752 1.00 0.00 H new ATOM 881 N ASP A 133 6.392 7.619 -9.652 1.00 0.00 N ATOM 882 CA ASP A 133 6.966 8.826 -8.999 1.00 0.00 C ATOM 883 C ASP A 133 7.643 8.406 -7.702 1.00 0.00 C ATOM 884 O ASP A 133 8.554 9.051 -7.220 1.00 0.00 O ATOM 885 CB ASP A 133 5.856 9.826 -8.688 1.00 0.00 C ATOM 886 CG ASP A 133 4.626 9.087 -8.160 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.787 8.272 -7.270 1.00 0.00 O ATOM 888 OD2 ASP A 133 3.543 9.349 -8.656 1.00 0.00 O ATOM 0 H ASP A 133 5.386 7.496 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 133 7.690 9.294 -9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.202 10.549 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 133 5.597 10.387 -9.586 1.00 0.00 H new ATOM 893 N GLY A 134 7.210 7.317 -7.150 1.00 0.00 N ATOM 894 CA GLY A 134 7.832 6.820 -5.887 1.00 0.00 C ATOM 895 C GLY A 134 6.845 6.924 -4.722 1.00 0.00 C ATOM 896 O GLY A 134 7.237 7.040 -3.578 1.00 0.00 O ATOM 0 H GLY A 134 6.450 6.743 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.146 5.784 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.728 7.399 -5.664 1.00 0.00 H new ATOM 900 N GLN A 135 5.571 6.876 -4.992 1.00 0.00 N ATOM 901 CA GLN A 135 4.575 6.964 -3.888 1.00 0.00 C ATOM 902 C GLN A 135 3.259 6.328 -4.340 1.00 0.00 C ATOM 903 O GLN A 135 3.084 6.004 -5.499 1.00 0.00 O ATOM 904 CB GLN A 135 4.349 8.435 -3.517 1.00 0.00 C ATOM 905 CG GLN A 135 3.412 9.090 -4.534 1.00 0.00 C ATOM 906 CD GLN A 135 3.984 10.444 -4.959 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.400 10.614 -6.088 1.00 0.00 O ATOM 908 NE2 GLN A 135 4.021 11.422 -4.097 1.00 0.00 N ATOM 0 H GLN A 135 5.176 6.780 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 135 4.948 6.431 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.921 8.505 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.302 8.964 -3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.294 8.444 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.421 9.222 -4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 135 3.672 11.280 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.399 12.329 -4.371 1.00 0.00 H new ATOM 917 N VAL A 136 2.334 6.142 -3.440 1.00 0.00 N ATOM 918 CA VAL A 136 1.040 5.523 -3.824 1.00 0.00 C ATOM 919 C VAL A 136 -0.114 6.370 -3.283 1.00 0.00 C ATOM 920 O VAL A 136 0.075 7.243 -2.463 1.00 0.00 O ATOM 921 CB VAL A 136 0.969 4.122 -3.213 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.382 3.488 -3.540 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.096 3.257 -3.788 1.00 0.00 C ATOM 0 H VAL A 136 2.421 6.393 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 136 0.964 5.464 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 136 1.081 4.192 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.431 2.490 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.182 4.103 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.499 3.417 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.046 2.259 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.985 3.188 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.059 3.709 -3.550 1.00 0.00 H new ATOM 933 N ASN A 137 -1.312 6.106 -3.723 1.00 0.00 N ATOM 934 CA ASN A 137 -2.483 6.874 -3.215 1.00 0.00 C ATOM 935 C ASN A 137 -3.641 5.904 -3.032 1.00 0.00 C ATOM 936 O ASN A 137 -3.460 4.704 -3.039 1.00 0.00 O ATOM 937 CB ASN A 137 -2.910 7.964 -4.202 1.00 0.00 C ATOM 938 CG ASN A 137 -1.861 8.149 -5.297 1.00 0.00 C ATOM 939 OD1 ASN A 137 -0.676 8.155 -5.033 1.00 0.00 O ATOM 940 ND2 ASN A 137 -2.259 8.308 -6.527 1.00 0.00 N ATOM 0 H ASN A 137 -1.532 5.389 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.207 7.353 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.867 7.699 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.057 8.904 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.574 8.438 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.255 8.302 -6.745 1.00 0.00 H new ATOM 947 N TYR A 138 -4.828 6.400 -2.873 1.00 0.00 N ATOM 948 CA TYR A 138 -5.981 5.487 -2.695 1.00 0.00 C ATOM 949 C TYR A 138 -6.443 4.967 -4.055 1.00 0.00 C ATOM 950 O TYR A 138 -6.791 3.813 -4.200 1.00 0.00 O ATOM 951 CB TYR A 138 -7.123 6.233 -2.022 1.00 0.00 C ATOM 952 CG TYR A 138 -8.308 5.311 -1.926 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.219 4.157 -1.149 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.489 5.604 -2.617 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.307 3.285 -1.059 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.582 4.732 -2.530 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.491 3.573 -1.750 1.00 0.00 C ATOM 958 OH TYR A 138 -11.568 2.715 -1.662 1.00 0.00 O ATOM 0 H TYR A 138 -5.050 7.395 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.679 4.646 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.823 6.568 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.382 7.124 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.306 3.936 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.558 6.500 -3.216 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.235 2.391 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.494 4.954 -3.064 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.309 3.064 -2.201 1.00 0.00 H new ATOM 968 N GLU A 139 -6.458 5.804 -5.052 1.00 0.00 N ATOM 969 CA GLU A 139 -6.904 5.344 -6.393 1.00 0.00 C ATOM 970 C GLU A 139 -5.882 4.354 -6.956 1.00 0.00 C ATOM 971 O GLU A 139 -6.225 3.425 -7.660 1.00 0.00 O ATOM 972 CB GLU A 139 -7.033 6.546 -7.332 1.00 0.00 C ATOM 973 CG GLU A 139 -8.199 6.319 -8.299 1.00 0.00 C ATOM 974 CD GLU A 139 -9.145 7.521 -8.259 1.00 0.00 C ATOM 975 OE1 GLU A 139 -8.808 8.496 -7.611 1.00 0.00 O ATOM 976 OE2 GLU A 139 -10.193 7.445 -8.881 1.00 0.00 O ATOM 0 H GLU A 139 -6.181 6.784 -4.996 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.873 4.853 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.198 7.456 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.107 6.686 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.821 6.175 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.738 5.411 -8.027 1.00 0.00 H new ATOM 983 N GLU A 140 -4.629 4.535 -6.645 1.00 0.00 N ATOM 984 CA GLU A 140 -3.593 3.597 -7.155 1.00 0.00 C ATOM 985 C GLU A 140 -3.556 2.363 -6.258 1.00 0.00 C ATOM 986 O GLU A 140 -3.409 1.248 -6.719 1.00 0.00 O ATOM 987 CB GLU A 140 -2.226 4.282 -7.135 1.00 0.00 C ATOM 988 CG GLU A 140 -2.390 5.783 -7.394 1.00 0.00 C ATOM 989 CD GLU A 140 -3.212 6.013 -8.667 1.00 0.00 C ATOM 990 OE1 GLU A 140 -3.637 5.038 -9.264 1.00 0.00 O ATOM 991 OE2 GLU A 140 -3.400 7.163 -9.024 1.00 0.00 O ATOM 0 H GLU A 140 -4.278 5.293 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.833 3.305 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.743 4.121 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.578 3.842 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.883 6.255 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.411 6.251 -7.495 1.00 0.00 H new ATOM 998 N PHE A 141 -3.699 2.552 -4.979 1.00 0.00 N ATOM 999 CA PHE A 141 -3.685 1.395 -4.049 1.00 0.00 C ATOM 1000 C PHE A 141 -4.929 0.543 -4.297 1.00 0.00 C ATOM 1001 O PHE A 141 -4.948 -0.639 -4.024 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.699 1.914 -2.615 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.991 0.784 -1.659 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.316 0.471 -1.322 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.936 0.054 -1.097 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.583 -0.570 -0.429 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -3.205 -0.987 -0.202 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.528 -1.298 0.132 1.00 0.00 C ATOM 0 H PHE A 141 -3.825 3.462 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.792 0.792 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.737 2.366 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.453 2.694 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -6.130 1.035 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.915 0.295 -1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.603 -0.813 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.392 -1.551 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.735 -2.101 0.824 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.972 1.138 -4.810 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.216 0.363 -5.072 1.00 0.00 C ATOM 1020 C VAL A 142 -6.991 -0.593 -6.245 1.00 0.00 C ATOM 1021 O VAL A 142 -7.388 -1.739 -6.205 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.361 1.324 -5.404 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.536 0.543 -5.998 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.817 2.027 -4.124 1.00 0.00 C ATOM 0 H VAL A 142 -6.015 2.126 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.474 -0.213 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.015 2.062 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.348 1.231 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.214 0.038 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.883 -0.196 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.632 2.712 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.161 1.285 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.983 2.586 -3.699 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.361 -0.134 -7.292 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.119 -1.026 -8.463 1.00 0.00 C ATOM 1036 C GLN A 143 -5.250 -2.210 -8.038 1.00 0.00 C ATOM 1037 O GLN A 143 -5.264 -3.256 -8.658 1.00 0.00 O ATOM 1038 CB GLN A 143 -5.401 -0.248 -9.563 1.00 0.00 C ATOM 1039 CG GLN A 143 -6.375 0.731 -10.218 1.00 0.00 C ATOM 1040 CD GLN A 143 -5.712 1.372 -11.439 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -5.237 0.681 -12.319 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.659 2.672 -11.530 1.00 0.00 N ATOM 0 H GLN A 143 -6.004 0.817 -7.388 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.076 -1.390 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -4.552 0.293 -9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.004 -0.936 -10.309 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.285 0.210 -10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.668 1.501 -9.504 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -6.058 3.252 -10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.219 3.109 -12.340 1.00 0.00 H new ATOM 1051 N MET A 144 -4.489 -2.056 -6.991 1.00 0.00 N ATOM 1052 CA MET A 144 -3.616 -3.173 -6.533 1.00 0.00 C ATOM 1053 C MET A 144 -4.375 -4.039 -5.526 1.00 0.00 C ATOM 1054 O MET A 144 -4.156 -5.230 -5.429 1.00 0.00 O ATOM 1055 CB MET A 144 -2.364 -2.600 -5.865 1.00 0.00 C ATOM 1056 CG MET A 144 -1.127 -3.352 -6.359 1.00 0.00 C ATOM 1057 SD MET A 144 -0.941 -4.891 -5.425 1.00 0.00 S ATOM 1058 CE MET A 144 0.732 -4.587 -4.807 1.00 0.00 C ATOM 0 H MET A 144 -4.434 -1.205 -6.432 1.00 0.00 H new ATOM 0 HA MET A 144 -3.328 -3.781 -7.391 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.272 -1.538 -6.094 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.446 -2.687 -4.782 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.222 -3.569 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.239 -2.732 -6.238 1.00 0.00 H new ATOM 0 HE1 MET A 144 1.052 -5.429 -4.193 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.415 -4.471 -5.648 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.738 -3.678 -4.206 1.00 0.00 H new ATOM 1068 N MET A 145 -5.258 -3.449 -4.768 1.00 0.00 N ATOM 1069 CA MET A 145 -6.015 -4.235 -3.765 1.00 0.00 C ATOM 1070 C MET A 145 -7.337 -4.716 -4.369 1.00 0.00 C ATOM 1071 O MET A 145 -8.097 -5.422 -3.737 1.00 0.00 O ATOM 1072 CB MET A 145 -6.298 -3.360 -2.544 1.00 0.00 C ATOM 1073 CG MET A 145 -5.788 -4.066 -1.287 1.00 0.00 C ATOM 1074 SD MET A 145 -7.180 -4.812 -0.402 1.00 0.00 S ATOM 1075 CE MET A 145 -6.229 -6.052 0.513 1.00 0.00 C ATOM 0 H MET A 145 -5.485 -2.455 -4.803 1.00 0.00 H new ATOM 0 HA MET A 145 -5.424 -5.101 -3.466 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.809 -2.392 -2.655 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.368 -3.169 -2.459 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.063 -4.833 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.273 -3.354 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.902 -6.639 1.138 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.719 -6.711 -0.190 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.492 -5.553 1.143 1.00 0.00 H new ATOM 1085 N THR A 146 -7.616 -4.341 -5.585 1.00 0.00 N ATOM 1086 CA THR A 146 -8.885 -4.778 -6.227 1.00 0.00 C ATOM 1087 C THR A 146 -8.572 -5.340 -7.621 1.00 0.00 C ATOM 1088 O THR A 146 -9.053 -6.389 -8.000 1.00 0.00 O ATOM 1089 CB THR A 146 -9.844 -3.570 -6.316 1.00 0.00 C ATOM 1090 OG1 THR A 146 -10.829 -3.685 -5.300 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.536 -3.512 -7.684 1.00 0.00 C ATOM 0 H THR A 146 -7.019 -3.750 -6.163 1.00 0.00 H new ATOM 0 HA THR A 146 -9.365 -5.560 -5.639 1.00 0.00 H new ATOM 0 HB THR A 146 -9.264 -2.657 -6.185 1.00 0.00 H new ATOM 0 HG1 THR A 146 -11.440 -2.921 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 146 -11.205 -2.652 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.785 -3.418 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A 146 -11.111 -4.425 -7.840 1.00 0.00 H new ATOM 1099 N ALA A 147 -7.771 -4.646 -8.384 1.00 0.00 N ATOM 1100 CA ALA A 147 -7.433 -5.136 -9.750 1.00 0.00 C ATOM 1101 C ALA A 147 -6.132 -5.939 -9.699 1.00 0.00 C ATOM 1102 O ALA A 147 -5.231 -5.729 -10.487 1.00 0.00 O ATOM 1103 CB ALA A 147 -7.259 -3.943 -10.692 1.00 0.00 C ATOM 0 H ALA A 147 -7.337 -3.762 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 147 -8.238 -5.773 -10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -7.012 -4.301 -11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -8.186 -3.372 -10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -6.455 -3.305 -10.326 1.00 0.00 H new ATOM 1109 N LYS A 148 -6.029 -6.858 -8.780 1.00 0.00 N ATOM 1110 CA LYS A 148 -4.787 -7.675 -8.682 1.00 0.00 C ATOM 1111 C LYS A 148 -3.569 -6.750 -8.683 1.00 0.00 C ATOM 1112 O LYS A 148 -2.467 -7.253 -8.837 1.00 0.00 O ATOM 1113 CB LYS A 148 -4.709 -8.628 -9.877 1.00 0.00 C ATOM 1114 CG LYS A 148 -5.989 -9.465 -9.948 1.00 0.00 C ATOM 1115 CD LYS A 148 -6.138 -10.275 -8.657 1.00 0.00 C ATOM 1116 CE LYS A 148 -6.752 -11.639 -8.976 1.00 0.00 C ATOM 1117 NZ LYS A 148 -5.737 -12.498 -9.652 1.00 0.00 N ATOM 1118 OXT LYS A 148 -3.757 -5.555 -8.528 1.00 0.00 O ATOM 0 H LYS A 148 -6.750 -7.079 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 148 -4.802 -8.253 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -4.581 -8.062 -10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -3.841 -9.280 -9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -6.854 -8.816 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -5.952 -10.134 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -5.165 -10.405 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -6.769 -9.737 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -7.096 -12.118 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -7.624 -11.515 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.988 -13.499 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -5.714 -12.275 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.800 -12.320 -9.237 1.00 0.00 H new TER 1132 LYS A 148