USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 115 CYS SG : rot -166:sc= 1.29 USER MOD Set 1.2: A 118 CYS SG : rot 52:sc= -3.79! USER MOD Set 1.3: A 120 ASN : amide:sc= 0.973 K(o=-0.82,f=-3.4) USER MOD Set 1.4: A 137 CYS SG : rot -55:sc= 0.704 USER MOD Set 2.1: A 93 SER OG : rot -49:sc= 1.11 USER MOD Set 2.2: A 414 THR OG1 : rot -105:sc= 1.32 USER MOD Set 2.3: A 415 SER OG : rot 106:sc= 1.92 USER MOD Set 3.1: A 87 CYS SG : rot -156:sc= 1.94 USER MOD Set 3.2: A 90 CYS SG : rot 139:sc= 0.473! USER MOD Set 3.3: A 109 HIS : no HD1:sc= -0.374 K(o=-5.5,f=-6.4) USER MOD Set 3.4: A 111 LYS NZ :NH3+ 179:sc= -0.158 (180deg=-0.811) USER MOD Set 3.5: A 112 CYS SG : rot -115:sc= -7.35! USER MOD Set 4.1: A 88 SER OG : rot 109:sc= 1.12 USER MOD Set 4.2: A 106 ASN : amide:sc= 0.155 K(o=1.3,f=-3.2!) USER MOD Single : A 83 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.4!) USER MOD Single : A 84 SER OG : rot -150:sc= -0.0217 USER MOD Single : A 92 GLN : amide:sc= 0.956 K(o=0.96,f=-5!) USER MOD Single : A 97 SER OG : rot 81:sc= 0.0602 USER MOD Single : A 101 MET CE :methyl 152:sc= -1.42 (180deg=-3.18!) USER MOD Single : A 104 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.79) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 117 THR OG1 : rot 97:sc= 0.427 USER MOD Single : A 129 HIS : no HD1:sc= 1.15 K(o=1.1,f=-4.5!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.26) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 208 SER OG : rot 180:sc= 0.00828 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -14.437 7.415 -1.583 1.00 0.00 N ATOM 62 CA ARG A 79 -14.718 6.659 -2.796 1.00 0.00 C ATOM 63 C ARG A 79 -15.102 5.225 -2.435 1.00 0.00 C ATOM 64 O ARG A 79 -14.305 4.303 -2.586 1.00 0.00 O ATOM 65 CB ARG A 79 -13.503 6.659 -3.733 1.00 0.00 C ATOM 66 CG ARG A 79 -12.798 7.999 -3.829 1.00 0.00 C ATOM 67 CD ARG A 79 -11.355 7.903 -3.356 1.00 0.00 C ATOM 68 NE ARG A 79 -10.435 7.494 -4.421 1.00 0.00 N ATOM 69 CZ ARG A 79 -9.374 8.207 -4.798 1.00 0.00 C ATOM 70 NH1 ARG A 79 -9.110 9.363 -4.199 1.00 0.00 N ATOM 71 NH2 ARG A 79 -8.568 7.756 -5.757 1.00 0.00 N ATOM 0 HA ARG A 79 -15.550 7.135 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.791 5.909 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.826 6.357 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.822 8.351 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.331 8.736 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.041 8.870 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.293 7.189 -2.535 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.617 6.613 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.718 9.702 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.299 9.912 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.761 6.861 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.757 8.305 -6.042 1.00 0.00 H new ATOM 85 N LEU A 80 -16.314 5.045 -1.929 1.00 0.00 N ATOM 86 CA LEU A 80 -16.767 3.728 -1.507 1.00 0.00 C ATOM 87 C LEU A 80 -18.254 3.539 -1.785 1.00 0.00 C ATOM 88 O LEU A 80 -18.918 4.432 -2.308 1.00 0.00 O ATOM 89 CB LEU A 80 -16.495 3.531 -0.017 1.00 0.00 C ATOM 90 CG LEU A 80 -16.103 2.110 0.386 1.00 0.00 C ATOM 91 CD1 LEU A 80 -14.598 1.954 0.372 1.00 0.00 C ATOM 92 CD2 LEU A 80 -16.663 1.772 1.757 1.00 0.00 C ATOM 0 H LEU A 80 -16.998 5.791 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 80 -16.213 2.985 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.698 4.211 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -17.387 3.818 0.541 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.528 1.415 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.335 0.937 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.221 2.155 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.153 2.658 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.374 0.756 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.267 2.471 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -17.750 1.846 1.734 1.00 0.00 H new ATOM 104 N PHE A 81 -18.767 2.367 -1.435 1.00 0.00 N ATOM 105 CA PHE A 81 -20.182 2.074 -1.599 1.00 0.00 C ATOM 106 C PHE A 81 -20.943 2.423 -0.326 1.00 0.00 C ATOM 107 O PHE A 81 -21.840 3.265 -0.335 1.00 0.00 O ATOM 108 CB PHE A 81 -20.382 0.596 -1.929 1.00 0.00 C ATOM 109 CG PHE A 81 -21.186 0.349 -3.176 1.00 0.00 C ATOM 110 CD1 PHE A 81 -20.928 1.063 -4.339 1.00 0.00 C ATOM 111 CD2 PHE A 81 -22.199 -0.598 -3.186 1.00 0.00 C ATOM 112 CE1 PHE A 81 -21.667 0.836 -5.484 1.00 0.00 C ATOM 113 CE2 PHE A 81 -22.941 -0.830 -4.329 1.00 0.00 C ATOM 114 CZ PHE A 81 -22.675 -0.113 -5.479 1.00 0.00 C ATOM 0 H PHE A 81 -18.222 1.603 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 81 -20.567 2.677 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -19.406 0.124 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -20.877 0.111 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -20.142 1.803 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -22.411 -1.161 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -21.459 1.398 -6.382 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -23.727 -1.570 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 81 -23.253 -0.292 -6.374 1.00 0.00 H new ATOM 124 N GLY A 82 -20.574 1.768 0.768 1.00 0.00 N ATOM 125 CA GLY A 82 -21.207 2.033 2.048 1.00 0.00 C ATOM 126 C GLY A 82 -20.540 3.172 2.791 1.00 0.00 C ATOM 127 O GLY A 82 -20.963 3.537 3.887 1.00 0.00 O ATOM 0 H GLY A 82 -19.845 1.055 0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -22.259 2.272 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.174 1.132 2.661 1.00 0.00 H new ATOM 131 N ASN A 83 -19.481 3.710 2.187 1.00 0.00 N ATOM 132 CA ASN A 83 -18.760 4.869 2.718 1.00 0.00 C ATOM 133 C ASN A 83 -18.165 4.588 4.096 1.00 0.00 C ATOM 134 O ASN A 83 -18.821 4.752 5.120 1.00 0.00 O ATOM 135 CB ASN A 83 -19.676 6.091 2.772 1.00 0.00 C ATOM 136 CG ASN A 83 -19.494 6.991 1.567 1.00 0.00 C ATOM 137 OD1 ASN A 83 -18.449 6.974 0.918 1.00 0.00 O ATOM 138 ND2 ASN A 83 -20.509 7.782 1.259 1.00 0.00 N ATOM 0 H ASN A 83 -19.097 3.354 1.312 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.932 5.076 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -20.714 5.764 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -19.472 6.657 3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -20.442 8.409 0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -21.358 7.765 1.824 1.00 0.00 H new ATOM 145 N SER A 84 -16.910 4.158 4.115 1.00 0.00 N ATOM 146 CA SER A 84 -16.209 3.877 5.365 1.00 0.00 C ATOM 147 C SER A 84 -14.720 4.214 5.232 1.00 0.00 C ATOM 148 O SER A 84 -14.256 5.250 5.716 1.00 0.00 O ATOM 149 CB SER A 84 -16.392 2.405 5.766 1.00 0.00 C ATOM 150 OG SER A 84 -17.471 1.805 5.062 1.00 0.00 O ATOM 0 H SER A 84 -16.353 3.995 3.276 1.00 0.00 H new ATOM 0 HA SER A 84 -16.637 4.503 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.473 1.855 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.574 2.339 6.839 1.00 0.00 H new ATOM 0 HG SER A 84 -17.872 1.103 5.615 1.00 0.00 H new ATOM 156 N GLY A 85 -13.987 3.335 4.560 1.00 0.00 N ATOM 157 CA GLY A 85 -12.573 3.547 4.318 1.00 0.00 C ATOM 158 C GLY A 85 -12.164 2.934 3.001 1.00 0.00 C ATOM 159 O GLY A 85 -12.441 1.762 2.750 1.00 0.00 O ATOM 0 H GLY A 85 -14.354 2.466 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.355 4.615 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.990 3.107 5.127 1.00 0.00 H new ATOM 163 N ALA A 86 -11.531 3.726 2.152 1.00 0.00 N ATOM 164 CA ALA A 86 -11.172 3.283 0.814 1.00 0.00 C ATOM 165 C ALA A 86 -9.666 3.310 0.609 1.00 0.00 C ATOM 166 O ALA A 86 -8.932 3.927 1.387 1.00 0.00 O ATOM 167 CB ALA A 86 -11.864 4.150 -0.233 1.00 0.00 C ATOM 0 H ALA A 86 -11.254 4.684 2.366 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.508 2.252 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.587 3.808 -1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.945 4.075 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.556 5.188 -0.107 1.00 0.00 H new ATOM 173 N CYS A 87 -9.222 2.632 -0.442 1.00 0.00 N ATOM 174 CA CYS A 87 -7.815 2.608 -0.814 1.00 0.00 C ATOM 175 C CYS A 87 -7.348 4.006 -1.200 1.00 0.00 C ATOM 176 O CYS A 87 -8.103 4.783 -1.790 1.00 0.00 O ATOM 177 CB CYS A 87 -7.605 1.633 -1.977 1.00 0.00 C ATOM 178 SG CYS A 87 -5.933 1.639 -2.713 1.00 0.00 S ATOM 0 H CYS A 87 -9.825 2.086 -1.057 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.225 2.272 0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.826 0.624 -1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.328 1.865 -2.759 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.994 1.195 -3.933 1.00 0.00 H new ATOM 183 N SER A 88 -6.111 4.322 -0.863 1.00 0.00 N ATOM 184 CA SER A 88 -5.559 5.632 -1.155 1.00 0.00 C ATOM 185 C SER A 88 -4.981 5.688 -2.567 1.00 0.00 C ATOM 186 O SER A 88 -4.608 6.758 -3.049 1.00 0.00 O ATOM 187 CB SER A 88 -4.484 5.974 -0.128 1.00 0.00 C ATOM 188 OG SER A 88 -4.352 4.930 0.824 1.00 0.00 O ATOM 0 H SER A 88 -5.469 3.689 -0.386 1.00 0.00 H new ATOM 0 HA SER A 88 -6.363 6.366 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.531 6.137 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.740 6.905 0.378 1.00 0.00 H new ATOM 0 HG SER A 88 -3.500 4.466 0.685 1.00 0.00 H new ATOM 194 N ALA A 89 -4.912 4.538 -3.229 1.00 0.00 N ATOM 195 CA ALA A 89 -4.352 4.476 -4.571 1.00 0.00 C ATOM 196 C ALA A 89 -5.429 4.165 -5.602 1.00 0.00 C ATOM 197 O ALA A 89 -5.359 4.633 -6.739 1.00 0.00 O ATOM 198 CB ALA A 89 -3.231 3.452 -4.641 1.00 0.00 C ATOM 0 H ALA A 89 -5.235 3.643 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.936 5.456 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.828 3.423 -5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.441 3.729 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.620 2.468 -4.377 1.00 0.00 H new ATOM 204 N CYS A 90 -6.418 3.365 -5.212 1.00 0.00 N ATOM 205 CA CYS A 90 -7.543 3.076 -6.088 1.00 0.00 C ATOM 206 C CYS A 90 -8.742 3.935 -5.708 1.00 0.00 C ATOM 207 O CYS A 90 -9.024 4.961 -6.331 1.00 0.00 O ATOM 208 CB CYS A 90 -7.938 1.598 -6.013 1.00 0.00 C ATOM 209 SG CYS A 90 -6.556 0.434 -6.220 1.00 0.00 S ATOM 0 H CYS A 90 -6.461 2.909 -4.300 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.235 3.305 -7.108 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.413 1.411 -5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.685 1.396 -6.781 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.686 -0.548 -5.379 1.00 0.00 H new ATOM 214 N GLY A 91 -9.428 3.514 -4.664 1.00 0.00 N ATOM 215 CA GLY A 91 -10.631 4.192 -4.250 1.00 0.00 C ATOM 216 C GLY A 91 -11.858 3.325 -4.440 1.00 0.00 C ATOM 217 O GLY A 91 -12.783 3.696 -5.159 1.00 0.00 O ATOM 0 H GLY A 91 -9.171 2.709 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.546 4.476 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.744 5.113 -4.822 1.00 0.00 H new ATOM 221 N GLN A 92 -11.846 2.157 -3.812 1.00 0.00 N ATOM 222 CA GLN A 92 -12.972 1.236 -3.864 1.00 0.00 C ATOM 223 C GLN A 92 -13.081 0.485 -2.549 1.00 0.00 C ATOM 224 O GLN A 92 -12.260 0.678 -1.650 1.00 0.00 O ATOM 225 CB GLN A 92 -12.817 0.252 -5.027 1.00 0.00 C ATOM 226 CG GLN A 92 -13.869 0.441 -6.109 1.00 0.00 C ATOM 227 CD GLN A 92 -15.254 -0.009 -5.673 1.00 0.00 C ATOM 228 OE1 GLN A 92 -15.399 -0.882 -4.817 1.00 0.00 O ATOM 229 NE2 GLN A 92 -16.283 0.589 -6.251 1.00 0.00 N ATOM 0 H GLN A 92 -11.060 1.823 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.885 1.809 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.826 0.370 -5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.876 -0.767 -4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.907 1.493 -6.392 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.574 -0.118 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.124 1.308 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.235 0.331 -5.991 1.00 0.00 H new ATOM 238 N SER A 93 -14.086 -0.368 -2.441 1.00 0.00 N ATOM 239 CA SER A 93 -14.328 -1.105 -1.218 1.00 0.00 C ATOM 240 C SER A 93 -13.340 -2.255 -1.059 1.00 0.00 C ATOM 241 O SER A 93 -12.702 -2.691 -2.020 1.00 0.00 O ATOM 242 CB SER A 93 -15.767 -1.634 -1.192 1.00 0.00 C ATOM 243 OG SER A 93 -16.405 -1.326 0.039 1.00 0.00 O ATOM 0 H SER A 93 -14.749 -0.566 -3.191 1.00 0.00 H new ATOM 0 HA SER A 93 -14.185 -0.422 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.332 -1.199 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.763 -2.714 -1.343 1.00 0.00 H new ATOM 0 HG SER A 93 -15.823 -1.586 0.783 1.00 0.00 H new ATOM 249 N ILE A 94 -13.210 -2.723 0.169 1.00 0.00 N ATOM 250 CA ILE A 94 -12.356 -3.849 0.481 1.00 0.00 C ATOM 251 C ILE A 94 -13.198 -4.984 1.058 1.00 0.00 C ATOM 252 O ILE A 94 -13.606 -4.946 2.225 1.00 0.00 O ATOM 253 CB ILE A 94 -11.245 -3.448 1.477 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.338 -2.375 0.856 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.436 -4.671 1.896 1.00 0.00 C ATOM 256 CD1 ILE A 94 -10.379 -1.053 1.589 1.00 0.00 C ATOM 0 H ILE A 94 -13.695 -2.331 0.977 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.875 -4.184 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.709 -3.029 2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.312 -2.742 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.634 -2.216 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.658 -4.370 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.094 -5.397 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.977 -5.122 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.715 -0.343 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.397 -0.664 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.054 -1.198 2.619 1.00 0.00 H new ATOM 268 N PRO A 95 -13.520 -5.977 0.221 1.00 0.00 N ATOM 269 CA PRO A 95 -14.264 -7.163 0.635 1.00 0.00 C ATOM 270 C PRO A 95 -13.395 -8.136 1.430 1.00 0.00 C ATOM 271 O PRO A 95 -12.172 -8.004 1.464 1.00 0.00 O ATOM 272 CB PRO A 95 -14.712 -7.801 -0.689 1.00 0.00 C ATOM 273 CG PRO A 95 -14.351 -6.822 -1.755 1.00 0.00 C ATOM 274 CD PRO A 95 -13.209 -6.020 -1.208 1.00 0.00 C ATOM 0 HA PRO A 95 -15.094 -6.910 1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.213 -8.757 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.784 -7.997 -0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.064 -7.333 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.198 -6.180 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.248 -6.496 -1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.165 -5.023 -1.646 1.00 0.00 H new ATOM 282 N ALA A 96 -14.031 -9.113 2.060 1.00 0.00 N ATOM 283 CA ALA A 96 -13.325 -10.080 2.894 1.00 0.00 C ATOM 284 C ALA A 96 -12.576 -11.117 2.055 1.00 0.00 C ATOM 285 O ALA A 96 -11.710 -11.831 2.565 1.00 0.00 O ATOM 286 CB ALA A 96 -14.306 -10.772 3.830 1.00 0.00 C ATOM 0 H ALA A 96 -15.039 -9.259 2.010 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.584 -9.535 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.772 -11.492 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.785 -10.030 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.065 -11.290 3.243 1.00 0.00 H new ATOM 292 N SER A 97 -12.923 -11.205 0.778 1.00 0.00 N ATOM 293 CA SER A 97 -12.289 -12.152 -0.128 1.00 0.00 C ATOM 294 C SER A 97 -11.057 -11.538 -0.784 1.00 0.00 C ATOM 295 O SER A 97 -10.203 -12.253 -1.318 1.00 0.00 O ATOM 296 CB SER A 97 -13.292 -12.589 -1.194 1.00 0.00 C ATOM 297 OG SER A 97 -14.552 -11.966 -0.988 1.00 0.00 O ATOM 0 H SER A 97 -13.644 -10.628 0.345 1.00 0.00 H new ATOM 0 HA SER A 97 -11.967 -13.021 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.912 -12.333 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.408 -13.672 -1.168 1.00 0.00 H new ATOM 0 HG SER A 97 -14.531 -11.056 -1.352 1.00 0.00 H new ATOM 303 N GLU A 98 -10.964 -10.219 -0.730 1.00 0.00 N ATOM 304 CA GLU A 98 -9.870 -9.500 -1.359 1.00 0.00 C ATOM 305 C GLU A 98 -8.825 -9.116 -0.323 1.00 0.00 C ATOM 306 O GLU A 98 -9.148 -8.867 0.837 1.00 0.00 O ATOM 307 CB GLU A 98 -10.399 -8.255 -2.074 1.00 0.00 C ATOM 308 CG GLU A 98 -10.728 -8.497 -3.544 1.00 0.00 C ATOM 309 CD GLU A 98 -12.093 -9.132 -3.760 1.00 0.00 C ATOM 310 OE1 GLU A 98 -12.827 -9.350 -2.776 1.00 0.00 O ATOM 311 OE2 GLU A 98 -12.442 -9.421 -4.925 1.00 0.00 O ATOM 0 H GLU A 98 -11.639 -9.622 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.401 -10.151 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.294 -7.903 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.657 -7.460 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.688 -7.548 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.963 -9.140 -3.979 1.00 0.00 H new ATOM 318 N LEU A 99 -7.571 -9.078 -0.741 1.00 0.00 N ATOM 319 CA LEU A 99 -6.478 -8.804 0.175 1.00 0.00 C ATOM 320 C LEU A 99 -5.967 -7.378 0.008 1.00 0.00 C ATOM 321 O LEU A 99 -5.893 -6.856 -1.106 1.00 0.00 O ATOM 322 CB LEU A 99 -5.337 -9.793 -0.055 1.00 0.00 C ATOM 323 CG LEU A 99 -5.735 -11.269 0.001 1.00 0.00 C ATOM 324 CD1 LEU A 99 -4.648 -12.138 -0.611 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.009 -11.693 1.437 1.00 0.00 C ATOM 0 H LEU A 99 -7.285 -9.233 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.854 -8.918 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.892 -9.590 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.565 -9.613 0.693 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.649 -11.401 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.948 -13.185 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.496 -11.852 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.719 -12.001 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.291 -12.746 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.111 -11.546 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.821 -11.092 1.845 1.00 0.00 H new ATOM 337 N VAL A 100 -5.625 -6.759 1.125 1.00 0.00 N ATOM 338 CA VAL A 100 -5.082 -5.411 1.134 1.00 0.00 C ATOM 339 C VAL A 100 -3.756 -5.387 1.886 1.00 0.00 C ATOM 340 O VAL A 100 -3.557 -6.143 2.837 1.00 0.00 O ATOM 341 CB VAL A 100 -6.059 -4.405 1.787 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.089 -3.925 0.778 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.739 -5.013 3.003 1.00 0.00 C ATOM 0 H VAL A 100 -5.716 -7.176 2.051 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.927 -5.113 0.097 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.481 -3.544 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.766 -3.218 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.583 -3.435 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.658 -4.777 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.420 -4.284 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.300 -5.898 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.985 -5.294 3.739 1.00 0.00 H new ATOM 353 N MET A 101 -2.850 -4.527 1.464 1.00 0.00 N ATOM 354 CA MET A 101 -1.548 -4.433 2.097 1.00 0.00 C ATOM 355 C MET A 101 -1.528 -3.285 3.096 1.00 0.00 C ATOM 356 O MET A 101 -1.619 -2.117 2.721 1.00 0.00 O ATOM 357 CB MET A 101 -0.452 -4.248 1.048 1.00 0.00 C ATOM 358 CG MET A 101 0.466 -5.452 0.919 1.00 0.00 C ATOM 359 SD MET A 101 0.249 -6.339 -0.637 1.00 0.00 S ATOM 360 CE MET A 101 1.953 -6.518 -1.172 1.00 0.00 C ATOM 0 H MET A 101 -2.991 -3.883 0.686 1.00 0.00 H new ATOM 0 HA MET A 101 -1.356 -5.363 2.632 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.914 -4.047 0.081 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.143 -3.372 1.305 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.502 -5.123 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.281 -6.134 1.749 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.049 -7.411 -1.790 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.246 -5.643 -1.752 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.601 -6.609 -0.300 1.00 0.00 H new ATOM 370 N ARG A 102 -1.421 -3.626 4.370 1.00 0.00 N ATOM 371 CA ARG A 102 -1.410 -2.625 5.426 1.00 0.00 C ATOM 372 C ARG A 102 -0.012 -2.038 5.590 1.00 0.00 C ATOM 373 O ARG A 102 0.924 -2.733 5.987 1.00 0.00 O ATOM 374 CB ARG A 102 -1.895 -3.224 6.750 1.00 0.00 C ATOM 375 CG ARG A 102 -1.347 -4.615 7.037 1.00 0.00 C ATOM 376 CD ARG A 102 -1.075 -4.807 8.521 1.00 0.00 C ATOM 377 NE ARG A 102 -1.368 -6.169 8.963 1.00 0.00 N ATOM 378 CZ ARG A 102 -1.370 -6.558 10.238 1.00 0.00 C ATOM 379 NH1 ARG A 102 -1.072 -5.704 11.211 1.00 0.00 N ATOM 380 NH2 ARG A 102 -1.673 -7.811 10.530 1.00 0.00 N ATOM 0 H ARG A 102 -1.340 -4.588 4.699 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.093 -1.825 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.611 -2.557 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.984 -3.269 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.059 -5.366 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.427 -4.769 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.031 -4.575 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.679 -4.103 9.094 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.585 -6.866 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.838 -4.737 10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.077 -6.015 12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.902 -8.468 9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.678 -8.121 11.502 1.00 0.00 H new ATOM 394 N ALA A 103 0.124 -0.761 5.262 1.00 0.00 N ATOM 395 CA ALA A 103 1.400 -0.070 5.392 1.00 0.00 C ATOM 396 C ALA A 103 1.431 0.768 6.665 1.00 0.00 C ATOM 397 O ALA A 103 2.407 0.741 7.414 1.00 0.00 O ATOM 398 CB ALA A 103 1.655 0.803 4.172 1.00 0.00 C ATOM 0 H ALA A 103 -0.635 -0.181 4.903 1.00 0.00 H new ATOM 0 HA ALA A 103 2.191 -0.817 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.612 1.313 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.677 0.181 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.859 1.542 4.080 1.00 0.00 H new ATOM 404 N GLN A 104 0.348 1.503 6.906 1.00 0.00 N ATOM 405 CA GLN A 104 0.237 2.359 8.083 1.00 0.00 C ATOM 406 C GLN A 104 -1.232 2.571 8.441 1.00 0.00 C ATOM 407 O GLN A 104 -2.029 1.638 8.377 1.00 0.00 O ATOM 408 CB GLN A 104 0.919 3.709 7.837 1.00 0.00 C ATOM 409 CG GLN A 104 2.349 3.781 8.345 1.00 0.00 C ATOM 410 CD GLN A 104 2.498 3.291 9.772 1.00 0.00 C ATOM 411 OE1 GLN A 104 2.307 4.047 10.723 1.00 0.00 O ATOM 412 NE2 GLN A 104 2.845 2.025 9.928 1.00 0.00 N ATOM 0 H GLN A 104 -0.470 1.522 6.297 1.00 0.00 H new ATOM 0 HA GLN A 104 0.739 1.866 8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.914 3.918 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.334 4.493 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.990 3.186 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.699 4.811 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.994 1.433 9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 104 2.964 1.641 10.865 1.00 0.00 H new ATOM 421 N GLY A 105 -1.588 3.806 8.792 1.00 0.00 N ATOM 422 CA GLY A 105 -2.963 4.117 9.136 1.00 0.00 C ATOM 423 C GLY A 105 -3.857 4.200 7.914 1.00 0.00 C ATOM 424 O GLY A 105 -5.077 4.291 8.029 1.00 0.00 O ATOM 0 H GLY A 105 -0.946 4.597 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.347 3.354 9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.995 5.065 9.672 1.00 0.00 H new ATOM 428 N ASN A 106 -3.244 4.180 6.741 1.00 0.00 N ATOM 429 CA ASN A 106 -3.987 4.184 5.491 1.00 0.00 C ATOM 430 C ASN A 106 -3.949 2.793 4.869 1.00 0.00 C ATOM 431 O ASN A 106 -3.084 1.981 5.209 1.00 0.00 O ATOM 432 CB ASN A 106 -3.416 5.226 4.524 1.00 0.00 C ATOM 433 CG ASN A 106 -4.498 5.927 3.724 1.00 0.00 C ATOM 434 OD1 ASN A 106 -5.558 5.359 3.459 1.00 0.00 O ATOM 435 ND2 ASN A 106 -4.236 7.164 3.330 1.00 0.00 N ATOM 0 H ASN A 106 -2.230 4.161 6.629 1.00 0.00 H new ATOM 0 HA ASN A 106 -5.023 4.452 5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.847 5.966 5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.720 4.740 3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.925 7.683 2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.345 7.598 3.571 1.00 0.00 H new ATOM 442 N VAL A 107 -4.876 2.518 3.965 1.00 0.00 N ATOM 443 CA VAL A 107 -5.012 1.183 3.397 1.00 0.00 C ATOM 444 C VAL A 107 -4.791 1.181 1.890 1.00 0.00 C ATOM 445 O VAL A 107 -5.228 2.085 1.181 1.00 0.00 O ATOM 446 CB VAL A 107 -6.395 0.555 3.695 1.00 0.00 C ATOM 447 CG1 VAL A 107 -6.242 -0.656 4.600 1.00 0.00 C ATOM 448 CG2 VAL A 107 -7.349 1.570 4.316 1.00 0.00 C ATOM 0 H VAL A 107 -5.546 3.200 3.608 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.239 0.583 3.877 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.826 0.234 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.223 -1.087 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.613 -1.399 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.780 -0.352 5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.310 1.094 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.929 1.938 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.491 2.404 3.629 1.00 0.00 H new ATOM 458 N TYR A 108 -4.092 0.156 1.426 1.00 0.00 N ATOM 459 CA TYR A 108 -3.889 -0.082 0.006 1.00 0.00 C ATOM 460 C TYR A 108 -4.208 -1.543 -0.282 1.00 0.00 C ATOM 461 O TYR A 108 -4.345 -2.333 0.646 1.00 0.00 O ATOM 462 CB TYR A 108 -2.439 0.225 -0.413 1.00 0.00 C ATOM 463 CG TYR A 108 -1.922 1.564 0.062 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.296 1.691 1.296 1.00 0.00 C ATOM 465 CD2 TYR A 108 -2.055 2.699 -0.726 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.824 2.912 1.735 1.00 0.00 C ATOM 467 CE2 TYR A 108 -1.583 3.923 -0.297 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.969 4.025 0.933 1.00 0.00 C ATOM 469 OH TYR A 108 -0.510 5.251 1.369 1.00 0.00 O ATOM 0 H TYR A 108 -3.648 -0.537 2.028 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.544 0.577 -0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.788 -0.560 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.372 0.188 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.177 0.820 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.536 2.623 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.345 2.995 2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.694 4.797 -0.922 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.689 5.929 0.685 1.00 0.00 H new ATOM 479 N HIS A 109 -4.314 -1.904 -1.551 1.00 0.00 N ATOM 480 CA HIS A 109 -4.559 -3.291 -1.935 1.00 0.00 C ATOM 481 C HIS A 109 -3.216 -3.954 -2.223 1.00 0.00 C ATOM 482 O HIS A 109 -2.170 -3.428 -1.852 1.00 0.00 O ATOM 483 CB HIS A 109 -5.462 -3.395 -3.183 1.00 0.00 C ATOM 484 CG HIS A 109 -6.840 -2.815 -3.037 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.140 -1.519 -3.410 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.977 -3.416 -2.602 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.437 -1.365 -3.200 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.987 -2.490 -2.711 1.00 0.00 N ATOM 0 H HIS A 109 -4.235 -1.257 -2.336 1.00 0.00 H new ATOM 0 HA HIS A 109 -5.076 -3.791 -1.116 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.963 -2.895 -4.013 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.557 -4.446 -3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -8.070 -4.429 -2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.983 -0.454 -3.396 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.968 -2.630 -2.467 1.00 0.00 H new ATOM 496 N LEU A 110 -3.246 -5.094 -2.892 1.00 0.00 N ATOM 497 CA LEU A 110 -2.018 -5.782 -3.275 1.00 0.00 C ATOM 498 C LEU A 110 -1.456 -5.214 -4.581 1.00 0.00 C ATOM 499 O LEU A 110 -0.273 -5.370 -4.883 1.00 0.00 O ATOM 500 CB LEU A 110 -2.281 -7.281 -3.425 1.00 0.00 C ATOM 501 CG LEU A 110 -3.000 -7.697 -4.709 1.00 0.00 C ATOM 502 CD1 LEU A 110 -2.343 -8.928 -5.306 1.00 0.00 C ATOM 503 CD2 LEU A 110 -4.473 -7.964 -4.433 1.00 0.00 C ATOM 0 H LEU A 110 -4.103 -5.564 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.280 -5.625 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.327 -7.806 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.873 -7.616 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.926 -6.880 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.865 -9.212 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.301 -8.708 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.390 -9.749 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.969 -8.259 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.566 -8.765 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.940 -7.059 -4.043 1.00 0.00 H new ATOM 515 N LYS A 111 -2.315 -4.548 -5.343 1.00 0.00 N ATOM 516 CA LYS A 111 -1.943 -4.041 -6.660 1.00 0.00 C ATOM 517 C LYS A 111 -1.371 -2.627 -6.581 1.00 0.00 C ATOM 518 O LYS A 111 -0.661 -2.182 -7.480 1.00 0.00 O ATOM 519 CB LYS A 111 -3.164 -4.052 -7.589 1.00 0.00 C ATOM 520 CG LYS A 111 -4.308 -3.157 -7.120 1.00 0.00 C ATOM 521 CD LYS A 111 -4.811 -2.246 -8.234 1.00 0.00 C ATOM 522 CE LYS A 111 -3.868 -1.076 -8.480 1.00 0.00 C ATOM 523 NZ LYS A 111 -4.011 -0.016 -7.446 1.00 0.00 N ATOM 0 H LYS A 111 -3.277 -4.345 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.168 -4.695 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.853 -3.735 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.530 -5.075 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.129 -3.777 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.973 -2.550 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.921 -2.823 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.800 -1.867 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.839 -1.436 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.067 -0.651 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.339 0.753 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.981 0.358 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.813 -0.418 -6.507 1.00 0.00 H new ATOM 537 N CYS A 112 -1.704 -1.929 -5.508 1.00 0.00 N ATOM 538 CA CYS A 112 -1.358 -0.525 -5.344 1.00 0.00 C ATOM 539 C CYS A 112 -0.057 -0.366 -4.562 1.00 0.00 C ATOM 540 O CYS A 112 0.459 0.745 -4.413 1.00 0.00 O ATOM 541 CB CYS A 112 -2.531 0.132 -4.633 1.00 0.00 C ATOM 542 SG CYS A 112 -3.803 -1.103 -4.244 1.00 0.00 S ATOM 0 H CYS A 112 -2.224 -2.321 -4.723 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.184 -0.048 -6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.187 0.611 -3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.955 0.915 -5.262 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.889 -0.830 -4.905 1.00 0.00 H new ATOM 547 N PHE A 113 0.470 -1.485 -4.074 1.00 0.00 N ATOM 548 CA PHE A 113 1.759 -1.491 -3.396 1.00 0.00 C ATOM 549 C PHE A 113 2.881 -1.421 -4.428 1.00 0.00 C ATOM 550 O PHE A 113 3.543 -2.416 -4.723 1.00 0.00 O ATOM 551 CB PHE A 113 1.907 -2.741 -2.522 1.00 0.00 C ATOM 552 CG PHE A 113 2.261 -2.442 -1.088 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.881 -1.244 -0.499 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.980 -3.356 -0.331 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.209 -0.966 0.813 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.312 -3.082 0.981 1.00 0.00 C ATOM 557 CZ PHE A 113 2.925 -1.885 1.553 1.00 0.00 C ATOM 0 H PHE A 113 0.023 -2.399 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 113 1.820 -0.619 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.973 -3.303 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.677 -3.383 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.322 -0.521 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.284 -4.293 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.906 -0.031 1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.873 -3.802 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.183 -1.669 2.579 1.00 0.00 H new ATOM 567 N THR A 114 3.060 -0.238 -4.993 1.00 0.00 N ATOM 568 CA THR A 114 4.073 -0.007 -6.007 1.00 0.00 C ATOM 569 C THR A 114 4.943 1.181 -5.619 1.00 0.00 C ATOM 570 O THR A 114 4.459 2.120 -4.983 1.00 0.00 O ATOM 571 CB THR A 114 3.430 0.282 -7.378 1.00 0.00 C ATOM 572 OG1 THR A 114 2.477 1.350 -7.255 1.00 0.00 O ATOM 573 CG2 THR A 114 2.741 -0.955 -7.936 1.00 0.00 C ATOM 0 H THR A 114 2.507 0.587 -4.761 1.00 0.00 H new ATOM 0 HA THR A 114 4.680 -0.910 -6.078 1.00 0.00 H new ATOM 0 HB THR A 114 4.222 0.573 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.073 1.530 -8.129 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.297 -0.719 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.471 -1.755 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.960 -1.278 -7.248 1.00 0.00 H new ATOM 581 N CYS A 115 6.212 1.150 -5.997 1.00 0.00 N ATOM 582 CA CYS A 115 7.097 2.264 -5.712 1.00 0.00 C ATOM 583 C CYS A 115 6.739 3.463 -6.585 1.00 0.00 C ATOM 584 O CYS A 115 6.302 3.312 -7.731 1.00 0.00 O ATOM 585 CB CYS A 115 8.566 1.859 -5.896 1.00 0.00 C ATOM 586 SG CYS A 115 9.166 1.857 -7.611 1.00 0.00 S ATOM 0 H CYS A 115 6.646 0.374 -6.496 1.00 0.00 H new ATOM 0 HA CYS A 115 6.965 2.552 -4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.188 2.538 -5.312 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.705 0.861 -5.479 1.00 0.00 H new ATOM 0 HG CYS A 115 10.300 1.224 -7.673 1.00 0.00 H new ATOM 591 N SER A 116 6.919 4.654 -6.041 1.00 0.00 N ATOM 592 CA SER A 116 6.538 5.874 -6.735 1.00 0.00 C ATOM 593 C SER A 116 7.640 6.345 -7.676 1.00 0.00 C ATOM 594 O SER A 116 7.480 7.333 -8.389 1.00 0.00 O ATOM 595 CB SER A 116 6.206 6.967 -5.719 1.00 0.00 C ATOM 596 OG SER A 116 5.738 6.395 -4.509 1.00 0.00 O ATOM 0 H SER A 116 7.328 4.803 -5.118 1.00 0.00 H new ATOM 0 HA SER A 116 5.655 5.661 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.092 7.571 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.449 7.635 -6.129 1.00 0.00 H new ATOM 0 HG SER A 116 5.532 7.108 -3.869 1.00 0.00 H new ATOM 602 N THR A 117 8.747 5.624 -7.691 1.00 0.00 N ATOM 603 CA THR A 117 9.896 6.028 -8.480 1.00 0.00 C ATOM 604 C THR A 117 9.998 5.259 -9.800 1.00 0.00 C ATOM 605 O THR A 117 10.114 5.869 -10.864 1.00 0.00 O ATOM 606 CB THR A 117 11.191 5.842 -7.677 1.00 0.00 C ATOM 607 OG1 THR A 117 10.869 5.625 -6.298 1.00 0.00 O ATOM 608 CG2 THR A 117 12.095 7.062 -7.810 1.00 0.00 C ATOM 0 H THR A 117 8.874 4.758 -7.167 1.00 0.00 H new ATOM 0 HA THR A 117 9.757 7.082 -8.719 1.00 0.00 H new ATOM 0 HB THR A 117 11.724 4.978 -8.072 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.872 4.663 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.006 6.905 -7.232 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.352 7.212 -8.859 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.575 7.943 -7.435 1.00 0.00 H new ATOM 616 N CYS A 118 9.937 3.931 -9.740 1.00 0.00 N ATOM 617 CA CYS A 118 10.112 3.110 -10.936 1.00 0.00 C ATOM 618 C CYS A 118 8.875 2.262 -11.223 1.00 0.00 C ATOM 619 O CYS A 118 8.820 1.556 -12.233 1.00 0.00 O ATOM 620 CB CYS A 118 11.344 2.212 -10.788 1.00 0.00 C ATOM 621 SG CYS A 118 12.437 2.656 -9.396 1.00 0.00 S ATOM 0 H CYS A 118 9.769 3.403 -8.883 1.00 0.00 H new ATOM 0 HA CYS A 118 10.258 3.783 -11.781 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.014 1.181 -10.660 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.920 2.250 -11.713 1.00 0.00 H new ATOM 0 HG CYS A 118 11.738 2.734 -8.303 1.00 0.00 H new ATOM 626 N ARG A 119 7.898 2.345 -10.322 1.00 0.00 N ATOM 627 CA ARG A 119 6.643 1.609 -10.440 1.00 0.00 C ATOM 628 C ARG A 119 6.871 0.121 -10.211 1.00 0.00 C ATOM 629 O ARG A 119 6.281 -0.725 -10.887 1.00 0.00 O ATOM 630 CB ARG A 119 5.989 1.843 -11.803 1.00 0.00 C ATOM 631 CG ARG A 119 4.571 2.376 -11.716 1.00 0.00 C ATOM 632 CD ARG A 119 3.583 1.438 -12.382 1.00 0.00 C ATOM 633 NE ARG A 119 2.211 1.706 -11.963 1.00 0.00 N ATOM 634 CZ ARG A 119 1.174 0.933 -12.272 1.00 0.00 C ATOM 635 NH1 ARG A 119 1.341 -0.132 -13.038 1.00 0.00 N ATOM 636 NH2 ARG A 119 -0.034 1.237 -11.830 1.00 0.00 N ATOM 0 H ARG A 119 7.956 2.927 -9.487 1.00 0.00 H new ATOM 0 HA ARG A 119 5.965 1.982 -9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.598 2.546 -12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.982 0.905 -12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.296 2.513 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.520 3.356 -12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.659 1.540 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.842 0.407 -12.140 1.00 0.00 H new ATOM 0 HE ARG A 119 2.037 2.537 -11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.268 -0.363 -13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.543 -0.722 -13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.172 2.065 -11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.828 0.643 -12.068 1.00 0.00 H new ATOM 650 N ASN A 120 7.737 -0.187 -9.258 1.00 0.00 N ATOM 651 CA ASN A 120 8.032 -1.566 -8.900 1.00 0.00 C ATOM 652 C ASN A 120 6.927 -2.119 -8.017 1.00 0.00 C ATOM 653 O ASN A 120 6.548 -1.499 -7.023 1.00 0.00 O ATOM 654 CB ASN A 120 9.374 -1.647 -8.169 1.00 0.00 C ATOM 655 CG ASN A 120 10.101 -2.959 -8.402 1.00 0.00 C ATOM 656 OD1 ASN A 120 9.540 -3.916 -8.944 1.00 0.00 O ATOM 657 ND2 ASN A 120 11.359 -3.011 -7.993 1.00 0.00 N ATOM 0 H ASN A 120 8.252 0.506 -8.714 1.00 0.00 H new ATOM 0 HA ASN A 120 8.092 -2.161 -9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.009 -0.824 -8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.207 -1.516 -7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.902 -3.865 -8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 120 11.785 -2.197 -7.549 1.00 0.00 H new ATOM 664 N ARG A 121 6.393 -3.269 -8.390 1.00 0.00 N ATOM 665 CA ARG A 121 5.354 -3.902 -7.601 1.00 0.00 C ATOM 666 C ARG A 121 5.970 -4.607 -6.402 1.00 0.00 C ATOM 667 O ARG A 121 6.644 -5.628 -6.549 1.00 0.00 O ATOM 668 CB ARG A 121 4.554 -4.898 -8.448 1.00 0.00 C ATOM 669 CG ARG A 121 3.196 -4.373 -8.892 1.00 0.00 C ATOM 670 CD ARG A 121 2.060 -5.023 -8.110 1.00 0.00 C ATOM 671 NE ARG A 121 1.525 -6.203 -8.796 1.00 0.00 N ATOM 672 CZ ARG A 121 1.015 -7.264 -8.165 1.00 0.00 C ATOM 673 NH1 ARG A 121 0.954 -7.289 -6.839 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.560 -8.304 -8.858 1.00 0.00 N ATOM 0 H ARG A 121 6.661 -3.781 -9.231 1.00 0.00 H new ATOM 0 HA ARG A 121 4.670 -3.130 -7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 121 5.138 -5.162 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.410 -5.814 -7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.161 -3.292 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.062 -4.564 -9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.418 -5.310 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.261 -4.297 -7.961 1.00 0.00 H new ATOM 0 HE ARG A 121 1.543 -6.214 -9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.297 -6.496 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.564 -8.102 -6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.599 -8.294 -9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.172 -9.111 -8.370 1.00 0.00 H new ATOM 688 N LEU A 122 5.743 -4.054 -5.221 1.00 0.00 N ATOM 689 CA LEU A 122 6.263 -4.633 -3.994 1.00 0.00 C ATOM 690 C LEU A 122 5.576 -5.960 -3.716 1.00 0.00 C ATOM 691 O LEU A 122 4.406 -6.147 -4.059 1.00 0.00 O ATOM 692 CB LEU A 122 6.067 -3.669 -2.823 1.00 0.00 C ATOM 693 CG LEU A 122 6.238 -2.182 -3.164 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.774 -1.312 -2.008 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.687 -1.870 -3.515 1.00 0.00 C ATOM 0 H LEU A 122 5.200 -3.201 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 122 7.332 -4.810 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.068 -3.819 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.776 -3.929 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 122 5.620 -1.961 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.903 -0.262 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.721 -1.509 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.364 -1.541 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.784 -0.811 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.327 -2.111 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.989 -2.465 -4.377 1.00 0.00 H new ATOM 707 N VAL A 123 6.294 -6.878 -3.091 1.00 0.00 N ATOM 708 CA VAL A 123 5.819 -8.239 -2.945 1.00 0.00 C ATOM 709 C VAL A 123 6.090 -8.743 -1.531 1.00 0.00 C ATOM 710 O VAL A 123 7.127 -8.432 -0.949 1.00 0.00 O ATOM 711 CB VAL A 123 6.479 -9.168 -4.005 1.00 0.00 C ATOM 712 CG1 VAL A 123 6.888 -10.514 -3.415 1.00 0.00 C ATOM 713 CG2 VAL A 123 5.540 -9.366 -5.189 1.00 0.00 C ATOM 0 H VAL A 123 7.209 -6.703 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 123 4.742 -8.253 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 123 7.390 -8.678 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.344 -11.128 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.605 -10.355 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.007 -11.021 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 123 6.013 -10.018 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.611 -9.821 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 123 5.323 -8.401 -5.647 1.00 0.00 H new ATOM 723 N PRO A 124 5.141 -9.492 -0.948 1.00 0.00 N ATOM 724 CA PRO A 124 5.292 -10.070 0.392 1.00 0.00 C ATOM 725 C PRO A 124 6.547 -10.931 0.502 1.00 0.00 C ATOM 726 O PRO A 124 6.635 -11.999 -0.105 1.00 0.00 O ATOM 727 CB PRO A 124 4.030 -10.929 0.563 1.00 0.00 C ATOM 728 CG PRO A 124 3.470 -11.088 -0.808 1.00 0.00 C ATOM 729 CD PRO A 124 3.845 -9.841 -1.545 1.00 0.00 C ATOM 0 HA PRO A 124 5.399 -9.303 1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.270 -11.897 1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.313 -10.446 1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.880 -11.971 -1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.388 -11.214 -0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.927 -10.014 -2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.108 -9.050 -1.405 1.00 0.00 H new ATOM 737 N GLY A 125 7.511 -10.458 1.276 1.00 0.00 N ATOM 738 CA GLY A 125 8.775 -11.158 1.399 1.00 0.00 C ATOM 739 C GLY A 125 9.904 -10.435 0.693 1.00 0.00 C ATOM 740 O GLY A 125 11.079 -10.725 0.928 1.00 0.00 O ATOM 0 H GLY A 125 7.442 -9.600 1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.023 -11.272 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.674 -12.161 0.985 1.00 0.00 H new ATOM 744 N ASP A 126 9.550 -9.492 -0.172 1.00 0.00 N ATOM 745 CA ASP A 126 10.542 -8.699 -0.888 1.00 0.00 C ATOM 746 C ASP A 126 10.750 -7.363 -0.183 1.00 0.00 C ATOM 747 O ASP A 126 10.119 -7.085 0.840 1.00 0.00 O ATOM 748 CB ASP A 126 10.124 -8.477 -2.347 1.00 0.00 C ATOM 749 CG ASP A 126 11.321 -8.386 -3.275 1.00 0.00 C ATOM 750 OD1 ASP A 126 11.980 -7.326 -3.307 1.00 0.00 O ATOM 751 OD2 ASP A 126 11.620 -9.377 -3.967 1.00 0.00 O ATOM 0 H ASP A 126 8.583 -9.258 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 126 11.483 -9.249 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.479 -9.295 -2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.538 -7.561 -2.421 1.00 0.00 H new ATOM 756 N ARG A 127 11.616 -6.531 -0.734 1.00 0.00 N ATOM 757 CA ARG A 127 12.025 -5.307 -0.063 1.00 0.00 C ATOM 758 C ARG A 127 11.312 -4.093 -0.637 1.00 0.00 C ATOM 759 O ARG A 127 11.072 -4.008 -1.842 1.00 0.00 O ATOM 760 CB ARG A 127 13.539 -5.107 -0.171 1.00 0.00 C ATOM 761 CG ARG A 127 14.313 -6.381 -0.459 1.00 0.00 C ATOM 762 CD ARG A 127 14.904 -6.369 -1.860 1.00 0.00 C ATOM 763 NE ARG A 127 15.476 -7.664 -2.222 1.00 0.00 N ATOM 764 CZ ARG A 127 16.724 -8.039 -1.945 1.00 0.00 C ATOM 765 NH1 ARG A 127 17.563 -7.202 -1.340 1.00 0.00 N ATOM 766 NH2 ARG A 127 17.142 -9.256 -2.281 1.00 0.00 N ATOM 0 H ARG A 127 12.051 -6.680 -1.645 1.00 0.00 H new ATOM 0 HA ARG A 127 11.749 -5.408 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.744 -4.384 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.905 -4.675 0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.112 -6.496 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.653 -7.242 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.129 -6.101 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.675 -5.601 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 127 14.880 -8.325 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.252 -6.265 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.517 -7.498 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.507 -9.902 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.097 -9.544 -2.069 1.00 0.00 H new ATOM 780 N PHE A 128 10.985 -3.165 0.246 1.00 0.00 N ATOM 781 CA PHE A 128 10.361 -1.907 -0.126 1.00 0.00 C ATOM 782 C PHE A 128 10.787 -0.835 0.871 1.00 0.00 C ATOM 783 O PHE A 128 11.095 -1.145 2.021 1.00 0.00 O ATOM 784 CB PHE A 128 8.826 -2.054 -0.175 1.00 0.00 C ATOM 785 CG PHE A 128 8.108 -1.670 1.091 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.139 -2.497 2.202 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.395 -0.482 1.165 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.478 -2.146 3.363 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.731 -0.128 2.322 1.00 0.00 C ATOM 790 CZ PHE A 128 6.771 -0.961 3.422 1.00 0.00 C ATOM 0 H PHE A 128 11.146 -3.264 1.248 1.00 0.00 H new ATOM 0 HA PHE A 128 10.686 -1.614 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.444 -1.441 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.583 -3.090 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.686 -3.427 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 128 7.359 0.173 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.514 -2.797 4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.180 0.800 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.250 -0.687 4.327 1.00 0.00 H new ATOM 800 N HIS A 129 10.832 0.407 0.437 1.00 0.00 N ATOM 801 CA HIS A 129 11.279 1.488 1.303 1.00 0.00 C ATOM 802 C HIS A 129 10.137 2.443 1.611 1.00 0.00 C ATOM 803 O HIS A 129 9.564 3.056 0.713 1.00 0.00 O ATOM 804 CB HIS A 129 12.453 2.236 0.662 1.00 0.00 C ATOM 805 CG HIS A 129 13.757 1.506 0.773 1.00 0.00 C ATOM 806 ND1 HIS A 129 14.643 1.764 1.796 1.00 0.00 N ATOM 807 CD2 HIS A 129 14.274 0.541 -0.030 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.670 0.957 1.592 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.491 0.201 0.502 1.00 0.00 N ATOM 0 H HIS A 129 10.567 0.697 -0.504 1.00 0.00 H new ATOM 0 HA HIS A 129 11.618 1.054 2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 129 12.231 2.410 -0.391 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.552 3.214 1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.816 0.123 -0.914 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.544 0.913 2.225 1.00 0.00 H new ATOM 0 HE2 HIS A 129 16.138 -0.497 0.136 1.00 0.00 H new ATOM 817 N TYR A 130 9.802 2.552 2.886 1.00 0.00 N ATOM 818 CA TYR A 130 8.734 3.424 3.333 1.00 0.00 C ATOM 819 C TYR A 130 9.317 4.622 4.065 1.00 0.00 C ATOM 820 O TYR A 130 9.700 4.530 5.233 1.00 0.00 O ATOM 821 CB TYR A 130 7.792 2.651 4.258 1.00 0.00 C ATOM 822 CG TYR A 130 6.443 3.300 4.462 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.524 3.381 3.421 1.00 0.00 C ATOM 824 CD2 TYR A 130 6.082 3.819 5.699 1.00 0.00 C ATOM 825 CE1 TYR A 130 4.287 3.962 3.609 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.847 4.403 5.894 1.00 0.00 C ATOM 827 CZ TYR A 130 3.953 4.471 4.845 1.00 0.00 C ATOM 828 OH TYR A 130 2.716 5.044 5.030 1.00 0.00 O ATOM 0 H TYR A 130 10.263 2.039 3.637 1.00 0.00 H new ATOM 0 HA TYR A 130 8.173 3.778 2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.642 1.651 3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 130 8.274 2.531 5.228 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.783 2.983 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.779 3.765 6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.584 4.018 2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.582 4.804 6.861 1.00 0.00 H new ATOM 0 HH TYR A 130 2.634 5.354 5.956 1.00 0.00 H new ATOM 838 N ILE A 131 9.381 5.745 3.376 1.00 0.00 N ATOM 839 CA ILE A 131 9.901 6.968 3.960 1.00 0.00 C ATOM 840 C ILE A 131 8.938 8.109 3.702 1.00 0.00 C ATOM 841 O ILE A 131 8.456 8.271 2.581 1.00 0.00 O ATOM 842 CB ILE A 131 11.293 7.335 3.399 1.00 0.00 C ATOM 843 CG1 ILE A 131 12.268 6.159 3.537 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.843 8.558 4.116 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.845 5.691 2.218 1.00 0.00 C ATOM 0 H ILE A 131 9.078 5.836 2.406 1.00 0.00 H new ATOM 0 HA ILE A 131 10.007 6.798 5.031 1.00 0.00 H new ATOM 0 HB ILE A 131 11.183 7.564 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 131 13.084 6.451 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.753 5.325 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.824 8.806 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.167 9.400 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.933 8.345 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.525 4.858 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.037 5.368 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.389 6.510 1.748 1.00 0.00 H new ATOM 857 N ASN A 132 8.638 8.871 4.751 1.00 0.00 N ATOM 858 CA ASN A 132 7.727 10.007 4.652 1.00 0.00 C ATOM 859 C ASN A 132 6.381 9.564 4.076 1.00 0.00 C ATOM 860 O ASN A 132 5.745 10.283 3.308 1.00 0.00 O ATOM 861 CB ASN A 132 8.351 11.111 3.790 1.00 0.00 C ATOM 862 CG ASN A 132 7.639 12.445 3.917 1.00 0.00 C ATOM 863 OD1 ASN A 132 7.387 12.931 5.023 1.00 0.00 O ATOM 864 ND2 ASN A 132 7.321 13.050 2.780 1.00 0.00 N ATOM 0 H ASN A 132 9.016 8.720 5.686 1.00 0.00 H new ATOM 0 HA ASN A 132 7.554 10.406 5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.396 11.236 4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.339 10.798 2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.849 13.954 2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 132 7.549 12.611 1.888 1.00 0.00 H new ATOM 871 N GLY A 133 5.968 8.352 4.440 1.00 0.00 N ATOM 872 CA GLY A 133 4.696 7.829 3.979 1.00 0.00 C ATOM 873 C GLY A 133 4.676 7.563 2.486 1.00 0.00 C ATOM 874 O GLY A 133 3.657 7.764 1.829 1.00 0.00 O ATOM 0 H GLY A 133 6.494 7.723 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.474 6.904 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.906 8.537 4.228 1.00 0.00 H new ATOM 878 N SER A 134 5.803 7.114 1.943 1.00 0.00 N ATOM 879 CA SER A 134 5.906 6.878 0.511 1.00 0.00 C ATOM 880 C SER A 134 6.500 5.508 0.245 1.00 0.00 C ATOM 881 O SER A 134 7.282 4.998 1.048 1.00 0.00 O ATOM 882 CB SER A 134 6.757 7.961 -0.155 1.00 0.00 C ATOM 883 OG SER A 134 6.410 9.250 0.325 1.00 0.00 O ATOM 0 H SER A 134 6.651 6.908 2.470 1.00 0.00 H new ATOM 0 HA SER A 134 4.904 6.916 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.812 7.769 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.619 7.923 -1.236 1.00 0.00 H new ATOM 0 HG SER A 134 6.969 9.924 -0.115 1.00 0.00 H new ATOM 889 N LEU A 135 6.128 4.923 -0.885 1.00 0.00 N ATOM 890 CA LEU A 135 6.585 3.590 -1.242 1.00 0.00 C ATOM 891 C LEU A 135 7.701 3.662 -2.272 1.00 0.00 C ATOM 892 O LEU A 135 7.532 4.241 -3.346 1.00 0.00 O ATOM 893 CB LEU A 135 5.419 2.757 -1.785 1.00 0.00 C ATOM 894 CG LEU A 135 4.148 2.803 -0.940 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.950 2.329 -1.749 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.317 1.964 0.317 1.00 0.00 C ATOM 0 H LEU A 135 5.509 5.354 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 135 6.975 3.110 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.182 3.103 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.742 1.720 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 135 3.968 3.836 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.054 2.369 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.820 2.974 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.117 1.304 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.403 2.007 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.521 0.930 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.148 2.353 0.905 1.00 0.00 H new ATOM 908 N PHE A 136 8.846 3.110 -1.923 1.00 0.00 N ATOM 909 CA PHE A 136 9.971 3.018 -2.834 1.00 0.00 C ATOM 910 C PHE A 136 10.435 1.569 -2.908 1.00 0.00 C ATOM 911 O PHE A 136 9.962 0.728 -2.139 1.00 0.00 O ATOM 912 CB PHE A 136 11.119 3.920 -2.364 1.00 0.00 C ATOM 913 CG PHE A 136 10.723 5.355 -2.149 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.418 6.174 -3.224 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.667 5.884 -0.872 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.063 7.496 -3.030 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.314 7.205 -0.669 1.00 0.00 C ATOM 918 CZ PHE A 136 10.012 8.012 -1.750 1.00 0.00 C ATOM 0 H PHE A 136 9.023 2.713 -1.001 1.00 0.00 H new ATOM 0 HA PHE A 136 9.661 3.353 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.522 3.522 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.922 3.882 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.458 5.775 -4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.902 5.258 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.826 8.123 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.274 7.606 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.737 9.045 -1.594 1.00 0.00 H new ATOM 928 N CYS A 137 11.354 1.276 -3.814 1.00 0.00 N ATOM 929 CA CYS A 137 11.854 -0.078 -3.964 1.00 0.00 C ATOM 930 C CYS A 137 13.374 -0.109 -3.849 1.00 0.00 C ATOM 931 O CYS A 137 14.014 0.930 -3.702 1.00 0.00 O ATOM 932 CB CYS A 137 11.396 -0.670 -5.302 1.00 0.00 C ATOM 933 SG CYS A 137 12.365 -0.141 -6.753 1.00 0.00 S ATOM 0 H CYS A 137 11.766 1.955 -4.453 1.00 0.00 H new ATOM 0 HA CYS A 137 11.444 -0.689 -3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.437 -1.757 -5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.352 -0.400 -5.463 1.00 0.00 H new ATOM 0 HG CYS A 137 12.383 1.157 -6.813 1.00 0.00 H new ATOM 938 N GLU A 138 13.946 -1.300 -3.918 1.00 0.00 N ATOM 939 CA GLU A 138 15.390 -1.453 -3.811 1.00 0.00 C ATOM 940 C GLU A 138 16.077 -1.080 -5.118 1.00 0.00 C ATOM 941 O GLU A 138 17.297 -0.916 -5.162 1.00 0.00 O ATOM 942 CB GLU A 138 15.753 -2.879 -3.406 1.00 0.00 C ATOM 943 CG GLU A 138 15.828 -3.071 -1.901 1.00 0.00 C ATOM 944 CD GLU A 138 17.158 -2.641 -1.323 1.00 0.00 C ATOM 945 OE1 GLU A 138 18.168 -3.329 -1.580 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.196 -1.622 -0.604 1.00 0.00 O ATOM 0 H GLU A 138 13.435 -2.173 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 138 15.742 -0.773 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.014 -3.566 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 138 16.714 -3.142 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 138 15.029 -2.502 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.656 -4.121 -1.664 1.00 0.00 H new ATOM 953 N HIS A 139 15.291 -0.960 -6.184 1.00 0.00 N ATOM 954 CA HIS A 139 15.828 -0.584 -7.484 1.00 0.00 C ATOM 955 C HIS A 139 16.080 0.915 -7.522 1.00 0.00 C ATOM 956 O HIS A 139 17.026 1.381 -8.161 1.00 0.00 O ATOM 957 CB HIS A 139 14.875 -0.993 -8.611 1.00 0.00 C ATOM 958 CG HIS A 139 15.567 -1.313 -9.901 1.00 0.00 C ATOM 959 ND1 HIS A 139 15.466 -2.555 -10.481 1.00 0.00 N ATOM 960 CD2 HIS A 139 16.342 -0.522 -10.683 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.174 -2.493 -11.595 1.00 0.00 C ATOM 962 NE2 HIS A 139 16.721 -1.283 -11.757 1.00 0.00 N ATOM 0 H HIS A 139 14.283 -1.118 -6.172 1.00 0.00 H new ATOM 0 HA HIS A 139 16.771 -1.110 -7.635 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.301 -1.863 -8.291 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.162 -0.186 -8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 139 16.609 0.508 -10.496 1.00 0.00 H new ATOM 0 HE1 HIS A 139 16.295 -3.314 -12.286 1.00 0.00 H new ATOM 0 HE2 HIS A 139 17.310 -0.983 -12.534 1.00 0.00 H new ATOM 970 N ASP A 140 15.238 1.670 -6.827 1.00 0.00 N ATOM 971 CA ASP A 140 15.440 3.107 -6.726 1.00 0.00 C ATOM 972 C ASP A 140 16.269 3.439 -5.488 1.00 0.00 C ATOM 973 O ASP A 140 17.245 4.180 -5.582 1.00 0.00 O ATOM 974 CB ASP A 140 14.109 3.898 -6.759 1.00 0.00 C ATOM 975 CG ASP A 140 13.080 3.510 -5.703 1.00 0.00 C ATOM 976 OD1 ASP A 140 13.384 3.619 -4.500 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.926 3.169 -6.072 1.00 0.00 O ATOM 0 H ASP A 140 14.420 1.316 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 140 15.997 3.425 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.335 4.958 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.657 3.772 -7.743 1.00 0.00 H new ATOM 982 N ARG A 141 15.880 2.858 -4.354 1.00 0.00 N ATOM 983 CA ARG A 141 16.601 2.971 -3.083 1.00 0.00 C ATOM 984 C ARG A 141 17.072 4.393 -2.789 1.00 0.00 C ATOM 985 O ARG A 141 18.197 4.773 -3.125 1.00 0.00 O ATOM 986 CB ARG A 141 17.784 2.004 -3.042 1.00 0.00 C ATOM 987 CG ARG A 141 17.857 1.220 -1.743 1.00 0.00 C ATOM 988 CD ARG A 141 19.292 0.913 -1.353 1.00 0.00 C ATOM 989 NE ARG A 141 19.662 1.533 -0.077 1.00 0.00 N ATOM 990 CZ ARG A 141 20.217 0.874 0.936 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.378 -0.440 0.869 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.596 1.533 2.023 1.00 0.00 N ATOM 0 H ARG A 141 15.039 2.284 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 141 15.889 2.704 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.708 1.308 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.710 2.563 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.377 1.789 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 141 17.301 0.288 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 141 19.425 -0.167 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.963 1.267 -2.135 1.00 0.00 H new ATOM 0 HE ARG A 141 19.483 2.530 0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.076 -0.949 0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 141 20.804 -0.942 1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.461 2.542 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.022 1.030 2.802 1.00 0.00 H new ATOM 1006 N PRO A 142 16.216 5.192 -2.141 1.00 0.00 N ATOM 1007 CA PRO A 142 16.540 6.569 -1.766 1.00 0.00 C ATOM 1008 C PRO A 142 17.546 6.629 -0.615 1.00 0.00 C ATOM 1009 O PRO A 142 17.190 6.959 0.519 1.00 0.00 O ATOM 1010 CB PRO A 142 15.190 7.164 -1.331 1.00 0.00 C ATOM 1011 CG PRO A 142 14.159 6.154 -1.716 1.00 0.00 C ATOM 1012 CD PRO A 142 14.860 4.828 -1.721 1.00 0.00 C ATOM 0 HA PRO A 142 17.006 7.112 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.173 7.351 -0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.006 8.119 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.330 6.154 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.741 6.378 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.851 4.360 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.395 4.125 -2.412 1.00 0.00 H new ATOM 1020 N THR A 143 18.801 6.303 -0.908 1.00 0.00 N ATOM 1021 CA THR A 143 19.864 6.331 0.088 1.00 0.00 C ATOM 1022 C THR A 143 20.310 7.763 0.404 1.00 0.00 C ATOM 1023 O THR A 143 21.485 8.111 0.286 1.00 0.00 O ATOM 1024 CB THR A 143 21.069 5.491 -0.371 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.627 4.468 -1.276 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.762 4.848 0.820 1.00 0.00 C ATOM 0 H THR A 143 19.108 6.014 -1.837 1.00 0.00 H new ATOM 0 HA THR A 143 19.458 5.896 1.002 1.00 0.00 H new ATOM 0 HB THR A 143 21.778 6.149 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 143 21.396 3.935 -1.568 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.611 4.259 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 143 22.113 5.625 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.060 4.199 1.343 1.00 0.00 H new ATOM 1034 N ALA A 144 19.349 8.579 0.801 1.00 0.00 N ATOM 1035 CA ALA A 144 19.603 9.943 1.231 1.00 0.00 C ATOM 1036 C ALA A 144 18.585 10.312 2.299 1.00 0.00 C ATOM 1037 O ALA A 144 18.936 10.665 3.425 1.00 0.00 O ATOM 1038 CB ALA A 144 19.531 10.910 0.055 1.00 0.00 C ATOM 0 H ALA A 144 18.365 8.312 0.834 1.00 0.00 H new ATOM 0 HA ALA A 144 20.609 10.013 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.725 11.924 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 144 20.278 10.634 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 144 18.538 10.865 -0.393 1.00 0.00 H new ATOM 1044 N LEU A 145 17.315 10.192 1.939 1.00 0.00 N ATOM 1045 CA LEU A 145 16.230 10.398 2.881 1.00 0.00 C ATOM 1046 C LEU A 145 15.873 9.078 3.553 1.00 0.00 C ATOM 1047 O LEU A 145 14.843 8.476 3.262 1.00 0.00 O ATOM 1048 CB LEU A 145 15.007 10.981 2.168 1.00 0.00 C ATOM 1049 CG LEU A 145 14.903 12.505 2.203 1.00 0.00 C ATOM 1050 CD1 LEU A 145 14.925 13.072 0.793 1.00 0.00 C ATOM 1051 CD2 LEU A 145 13.636 12.929 2.928 1.00 0.00 C ATOM 0 H LEU A 145 17.012 9.952 0.995 1.00 0.00 H new ATOM 0 HA LEU A 145 16.553 11.108 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.024 10.657 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.108 10.560 2.619 1.00 0.00 H new ATOM 0 HG LEU A 145 15.762 12.900 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 145 14.850 14.159 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 145 15.857 12.792 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 145 14.083 12.673 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 145 13.574 14.017 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 145 12.767 12.524 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 145 13.657 12.550 3.950 1.00 0.00 H new ATOM 1063 N ILE A 146 16.751 8.617 4.431 1.00 0.00 N ATOM 1064 CA ILE A 146 16.531 7.374 5.153 1.00 0.00 C ATOM 1065 C ILE A 146 16.997 7.510 6.594 1.00 0.00 C ATOM 1066 O ILE A 146 18.055 8.087 6.858 1.00 0.00 O ATOM 1067 CB ILE A 146 17.279 6.183 4.510 1.00 0.00 C ATOM 1068 CG1 ILE A 146 18.503 6.664 3.730 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.350 5.382 3.606 1.00 0.00 C ATOM 1070 CD1 ILE A 146 19.812 6.150 4.287 1.00 0.00 C ATOM 0 H ILE A 146 17.626 9.088 4.661 1.00 0.00 H new ATOM 0 HA ILE A 146 15.460 7.176 5.113 1.00 0.00 H new ATOM 0 HB ILE A 146 17.621 5.530 5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 146 18.410 6.347 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 146 18.520 7.754 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 146 16.899 4.550 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 146 15.516 4.996 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 146 15.970 6.026 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 146 20.638 6.530 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 146 19.927 6.489 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 146 19.816 5.060 4.261 1.00 0.00 H new ATOM 1146 N GLY A 207 16.792 -1.511 4.433 1.00 0.00 N ATOM 1147 CA GLY A 207 15.963 -2.295 3.542 1.00 0.00 C ATOM 1148 C GLY A 207 14.801 -2.933 4.269 1.00 0.00 C ATOM 1149 O GLY A 207 14.967 -3.941 4.957 1.00 0.00 O ATOM 0 HA2 GLY A 207 15.585 -1.658 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.568 -3.071 3.072 1.00 0.00 H new ATOM 1153 N SER A 208 13.625 -2.342 4.128 1.00 0.00 N ATOM 1154 CA SER A 208 12.434 -2.861 4.774 1.00 0.00 C ATOM 1155 C SER A 208 11.781 -3.925 3.894 1.00 0.00 C ATOM 1156 O SER A 208 11.984 -3.944 2.682 1.00 0.00 O ATOM 1157 CB SER A 208 11.460 -1.718 5.062 1.00 0.00 C ATOM 1158 OG SER A 208 12.151 -0.478 5.147 1.00 0.00 O ATOM 0 H SER A 208 13.472 -1.502 3.571 1.00 0.00 H new ATOM 0 HA SER A 208 12.711 -3.325 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 208 10.708 -1.668 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 208 10.932 -1.910 5.996 1.00 0.00 H new ATOM 0 HG SER A 208 11.511 0.241 5.330 1.00 0.00 H new ATOM 1164 N ILE A 404 11.019 -4.814 4.506 1.00 0.00 N ATOM 1165 CA ILE A 404 10.373 -5.904 3.787 1.00 0.00 C ATOM 1166 C ILE A 404 8.866 -5.686 3.731 1.00 0.00 C ATOM 1167 O ILE A 404 8.249 -5.321 4.734 1.00 0.00 O ATOM 1168 CB ILE A 404 10.669 -7.263 4.469 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.179 -7.548 4.483 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.918 -8.395 3.781 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.793 -7.644 3.104 1.00 0.00 C ATOM 0 H ILE A 404 10.830 -4.804 5.508 1.00 0.00 H new ATOM 0 HA ILE A 404 10.774 -5.920 2.773 1.00 0.00 H new ATOM 0 HB ILE A 404 10.321 -7.203 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.683 -6.759 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.359 -8.481 5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.144 -9.337 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.846 -8.205 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.226 -8.454 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.860 -7.847 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.316 -8.452 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.646 -6.703 2.574 1.00 0.00 H new ATOM 1183 N ALA A 405 8.290 -5.896 2.553 1.00 0.00 N ATOM 1184 CA ALA A 405 6.848 -5.810 2.376 1.00 0.00 C ATOM 1185 C ALA A 405 6.185 -6.971 3.103 1.00 0.00 C ATOM 1186 O ALA A 405 6.505 -8.129 2.833 1.00 0.00 O ATOM 1187 CB ALA A 405 6.491 -5.826 0.893 1.00 0.00 C ATOM 0 H ALA A 405 8.804 -6.128 1.703 1.00 0.00 H new ATOM 0 HA ALA A 405 6.486 -4.872 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.409 -5.761 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.960 -4.976 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.849 -6.752 0.443 1.00 0.00 H new ATOM 1193 N PRO A 406 5.281 -6.670 4.053 1.00 0.00 N ATOM 1194 CA PRO A 406 4.629 -7.685 4.891 1.00 0.00 C ATOM 1195 C PRO A 406 3.879 -8.738 4.075 1.00 0.00 C ATOM 1196 O PRO A 406 4.452 -9.756 3.691 1.00 0.00 O ATOM 1197 CB PRO A 406 3.659 -6.872 5.766 1.00 0.00 C ATOM 1198 CG PRO A 406 3.521 -5.555 5.083 1.00 0.00 C ATOM 1199 CD PRO A 406 4.826 -5.314 4.385 1.00 0.00 C ATOM 0 HA PRO A 406 5.357 -8.256 5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.695 -7.373 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 406 4.048 -6.752 6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 406 2.695 -5.569 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 406 3.310 -4.763 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.699 -4.702 3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.538 -4.796 5.028 1.00 0.00 H new ATOM 1207 N PHE A 407 2.602 -8.488 3.820 1.00 0.00 N ATOM 1208 CA PHE A 407 1.759 -9.415 3.075 1.00 0.00 C ATOM 1209 C PHE A 407 0.418 -8.761 2.774 1.00 0.00 C ATOM 1210 O PHE A 407 -0.022 -7.880 3.514 1.00 0.00 O ATOM 1211 CB PHE A 407 1.516 -10.692 3.898 1.00 0.00 C ATOM 1212 CG PHE A 407 2.008 -11.965 3.267 1.00 0.00 C ATOM 1213 CD1 PHE A 407 1.236 -12.638 2.336 1.00 0.00 C ATOM 1214 CD2 PHE A 407 3.238 -12.492 3.621 1.00 0.00 C ATOM 1215 CE1 PHE A 407 1.685 -13.815 1.766 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.695 -13.667 3.054 1.00 0.00 C ATOM 1217 CZ PHE A 407 2.916 -14.330 2.125 1.00 0.00 C ATOM 0 H PHE A 407 2.122 -7.640 4.122 1.00 0.00 H new ATOM 0 HA PHE A 407 2.264 -9.673 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.999 -10.577 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.446 -10.787 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 407 0.273 -12.240 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 407 3.848 -11.979 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 407 1.074 -14.332 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 407 4.658 -14.066 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 407 3.269 -15.249 1.680 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.232 -9.145 1.666 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.616 -8.764 1.418 1.00 0.00 C ATOM 1229 C PRO A 408 -2.561 -9.537 2.333 1.00 0.00 C ATOM 1230 O PRO A 408 -2.728 -10.747 2.196 1.00 0.00 O ATOM 1231 CB PRO A 408 -1.842 -9.139 -0.045 1.00 0.00 C ATOM 1232 CG PRO A 408 -0.851 -10.216 -0.328 1.00 0.00 C ATOM 1233 CD PRO A 408 0.332 -9.945 0.564 1.00 0.00 C ATOM 0 HA PRO A 408 -1.806 -7.709 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.861 -9.488 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.690 -8.281 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.275 -11.199 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.557 -10.208 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.777 -10.870 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.115 -9.401 0.035 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.171 -8.831 3.263 1.00 0.00 N ATOM 1242 CA GLU A 409 -3.981 -9.457 4.295 1.00 0.00 C ATOM 1243 C GLU A 409 -5.410 -8.943 4.230 1.00 0.00 C ATOM 1244 O GLU A 409 -5.704 -7.998 3.503 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.387 -9.167 5.675 1.00 0.00 C ATOM 1246 CG GLU A 409 -2.220 -10.070 6.044 1.00 0.00 C ATOM 1247 CD GLU A 409 -1.541 -9.644 7.331 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -2.020 -8.687 7.972 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -0.526 -10.272 7.710 1.00 0.00 O ATOM 0 H GLU A 409 -3.122 -7.814 3.327 1.00 0.00 H new ATOM 0 HA GLU A 409 -3.987 -10.534 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -3.055 -8.129 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.169 -9.274 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -2.576 -11.095 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -1.491 -10.066 5.234 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.299 -9.570 4.980 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.671 -9.105 5.055 1.00 0.00 C ATOM 1258 C ALA A 410 -7.818 -8.142 6.225 1.00 0.00 C ATOM 1259 O ALA A 410 -7.743 -8.549 7.385 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.626 -10.280 5.204 1.00 0.00 C ATOM 0 H ALA A 410 -6.097 -10.397 5.542 1.00 0.00 H new ATOM 0 HA ALA A 410 -7.922 -8.583 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.650 -9.912 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.524 -10.943 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.389 -10.828 6.116 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.015 -6.866 5.918 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.105 -5.840 6.949 1.00 0.00 C ATOM 1268 C ALA A 411 -9.517 -5.751 7.517 1.00 0.00 C ATOM 1269 O ALA A 411 -9.876 -6.490 8.435 1.00 0.00 O ATOM 1270 CB ALA A 411 -7.663 -4.491 6.398 1.00 0.00 C ATOM 0 H ALA A 411 -8.115 -6.517 4.965 1.00 0.00 H new ATOM 0 HA ALA A 411 -7.435 -6.120 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -7.737 -3.736 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.631 -4.559 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.305 -4.211 5.563 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.320 -4.851 6.965 1.00 0.00 N ATOM 1277 CA LEU A 412 -11.670 -4.627 7.457 1.00 0.00 C ATOM 1278 C LEU A 412 -12.672 -4.628 6.312 1.00 0.00 C ATOM 1279 O LEU A 412 -12.503 -3.904 5.330 1.00 0.00 O ATOM 1280 CB LEU A 412 -11.741 -3.295 8.209 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.798 -3.225 9.315 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -12.135 -3.117 10.675 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -13.736 -2.047 9.086 1.00 0.00 C ATOM 0 H LEU A 412 -10.057 -4.263 6.174 1.00 0.00 H new ATOM 0 HA LEU A 412 -11.924 -5.439 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -10.764 -3.092 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -11.938 -2.500 7.490 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.386 -4.143 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -12.900 -3.068 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.504 -3.990 10.843 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.524 -2.215 10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -14.480 -2.014 9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -13.163 -1.120 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -14.238 -2.163 8.125 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.716 -5.459 6.417 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.817 -5.468 5.453 1.00 0.00 C ATOM 1297 C PRO A 413 -15.563 -4.136 5.451 1.00 0.00 C ATOM 1298 O PRO A 413 -16.025 -3.669 6.497 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.729 -6.599 5.948 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.354 -6.811 7.374 1.00 0.00 C ATOM 1301 CD PRO A 413 -13.895 -6.470 7.470 1.00 0.00 C ATOM 0 HA PRO A 413 -14.472 -5.616 4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.780 -6.326 5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.582 -7.507 5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.948 -6.177 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -15.535 -7.842 7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -13.637 -6.077 8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.265 -7.344 7.301 1.00 0.00 H new ATOM 1309 N THR A 414 -15.673 -3.523 4.286 1.00 0.00 N ATOM 1310 CA THR A 414 -16.287 -2.212 4.179 1.00 0.00 C ATOM 1311 C THR A 414 -17.661 -2.303 3.526 1.00 0.00 C ATOM 1312 O THR A 414 -17.976 -3.302 2.875 1.00 0.00 O ATOM 1313 CB THR A 414 -15.394 -1.263 3.364 1.00 0.00 C ATOM 1314 OG1 THR A 414 -14.596 -2.017 2.441 1.00 0.00 O ATOM 1315 CG2 THR A 414 -14.486 -0.460 4.280 1.00 0.00 C ATOM 0 H THR A 414 -15.345 -3.912 3.402 1.00 0.00 H new ATOM 0 HA THR A 414 -16.404 -1.818 5.189 1.00 0.00 H new ATOM 0 HB THR A 414 -16.036 -0.574 2.815 1.00 0.00 H new ATOM 0 HG1 THR A 414 -13.673 -2.060 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 414 -13.863 0.205 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 414 -15.092 0.131 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 414 -13.851 -1.139 4.849 1.00 0.00 H new ATOM 1323 N SER A 415 -18.464 -1.252 3.699 1.00 0.00 N ATOM 1324 CA SER A 415 -19.823 -1.205 3.156 1.00 0.00 C ATOM 1325 C SER A 415 -20.698 -2.289 3.793 1.00 0.00 C ATOM 1326 O SER A 415 -20.488 -2.671 4.948 1.00 0.00 O ATOM 1327 CB SER A 415 -19.800 -1.359 1.626 1.00 0.00 C ATOM 1328 OG SER A 415 -18.873 -0.460 1.033 1.00 0.00 O ATOM 0 H SER A 415 -18.194 -0.415 4.215 1.00 0.00 H new ATOM 0 HA SER A 415 -20.253 -0.233 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 415 -19.535 -2.384 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 415 -20.797 -1.175 1.224 1.00 0.00 H new ATOM 0 HG SER A 415 -18.081 -0.955 0.737 1.00 0.00 H new