USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 680 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 69 SER OG : rot 115:sc= 0.079 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.253 USER MOD Set 2.1: A 45 MET CE :methyl -102:sc= 0 (180deg=-0.0172) USER MOD Set 2.2: A 51 ASN : amide:sc= 0.165 K(o=0.17,f=-1.2) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= 0.2 (180deg=0.0711) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -44:sc= 0.932 USER MOD Single : A 16 GLN : amide:sc= -3.25! C(o=-3.3!,f=-3.5!) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 1.56 (180deg=1.56) USER MOD Single : A 18 ASN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= 1.23 (180deg=-0.14) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.106 (180deg=0.0372) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Single : A 47 MET CE :methyl 137:sc= -0.283 (180deg=-1.75!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 58 GLN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD Single : A 60 MET CE :methyl 176:sc= -2.09! (180deg=-2.1!) USER MOD Single : A 80 MET CE :methyl 156:sc= -0.174 (180deg=-2.16) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 160:sc= 0 USER MOD Single : A 85 MET CE :methyl -118:sc= -1.03 (180deg=-4.07!) USER MOD Single : B 149 SER OG : rot 180:sc= 0.439 USER MOD Single : B 153 MET CE :methyl -126:sc= -0.3 (180deg=-4.59!) USER MOD Single : B 154 MET CE :methyl -140:sc= -0.759 (180deg=-3.22!) USER MOD Single : B 155 GLN : amide:sc= 0.173 X(o=0.17,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 70.413 8.612 9.940 1.00 0.00 N ATOM 45 CA ILE A 4 69.242 9.491 10.230 1.00 0.00 C ATOM 46 C ILE A 4 67.948 8.718 9.954 1.00 0.00 C ATOM 47 O ILE A 4 67.042 8.702 10.765 1.00 0.00 O ATOM 48 CB ILE A 4 69.375 10.693 9.286 1.00 0.00 C ATOM 49 CG1 ILE A 4 70.826 11.194 9.275 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.457 11.819 9.769 1.00 0.00 C ATOM 51 CD1 ILE A 4 71.138 11.814 7.912 1.00 0.00 C ATOM 0 HA ILE A 4 69.214 9.817 11.270 1.00 0.00 H new ATOM 0 HB ILE A 4 69.092 10.389 8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 4 70.974 11.931 10.065 1.00 0.00 H new ATOM 0 HG13 ILE A 4 71.509 10.369 9.477 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.549 12.675 9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.424 11.470 9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 4 68.744 12.114 10.778 1.00 0.00 H new ATOM 0 HD11 ILE A 4 72.168 12.171 7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 4 71.006 11.064 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 4 70.463 12.650 7.729 1.00 0.00 H new ATOM 63 N TYR A 5 67.869 8.060 8.822 1.00 0.00 N ATOM 64 CA TYR A 5 66.647 7.264 8.497 1.00 0.00 C ATOM 65 C TYR A 5 66.563 6.052 9.433 1.00 0.00 C ATOM 66 O TYR A 5 65.494 5.673 9.868 1.00 0.00 O ATOM 67 CB TYR A 5 66.820 6.827 7.038 1.00 0.00 C ATOM 68 CG TYR A 5 66.606 8.018 6.133 1.00 0.00 C ATOM 69 CD1 TYR A 5 65.382 8.700 6.151 1.00 0.00 C ATOM 70 CD2 TYR A 5 67.633 8.448 5.284 1.00 0.00 C ATOM 71 CE1 TYR A 5 65.187 9.809 5.322 1.00 0.00 C ATOM 72 CE2 TYR A 5 67.434 9.557 4.453 1.00 0.00 C ATOM 73 CZ TYR A 5 66.212 10.236 4.474 1.00 0.00 C ATOM 74 OH TYR A 5 66.017 11.328 3.657 1.00 0.00 O ATOM 0 H TYR A 5 68.599 8.041 8.110 1.00 0.00 H new ATOM 0 HA TYR A 5 65.727 7.834 8.627 1.00 0.00 H new ATOM 0 HB2 TYR A 5 67.817 6.414 6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 5 66.108 6.038 6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 5 64.589 8.369 6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 5 68.578 7.925 5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 5 64.244 10.335 5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 5 68.224 9.888 3.796 1.00 0.00 H new ATOM 0 HH TYR A 5 66.828 11.493 3.132 1.00 0.00 H new ATOM 84 N LYS A 6 67.688 5.462 9.769 1.00 0.00 N ATOM 85 CA LYS A 6 67.673 4.296 10.706 1.00 0.00 C ATOM 86 C LYS A 6 67.183 4.765 12.079 1.00 0.00 C ATOM 87 O LYS A 6 66.370 4.119 12.708 1.00 0.00 O ATOM 88 CB LYS A 6 69.124 3.808 10.782 1.00 0.00 C ATOM 89 CG LYS A 6 69.171 2.299 10.519 1.00 0.00 C ATOM 90 CD LYS A 6 70.201 1.998 9.427 1.00 0.00 C ATOM 91 CE LYS A 6 69.632 2.393 8.058 1.00 0.00 C ATOM 92 NZ LYS A 6 70.570 1.800 7.062 1.00 0.00 N ATOM 0 H LYS A 6 68.611 5.738 9.435 1.00 0.00 H new ATOM 0 HA LYS A 6 67.010 3.497 10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 6 69.735 4.335 10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 6 69.542 4.030 11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.432 1.768 11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.187 1.942 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.122 2.547 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 6 70.454 0.938 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 6 68.621 2.008 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.577 3.476 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.403 2.229 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.550 1.983 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 70.412 0.774 7.005 1.00 0.00 H new ATOM 106 N ALA A 7 67.648 5.906 12.530 1.00 0.00 N ATOM 107 CA ALA A 7 67.183 6.443 13.847 1.00 0.00 C ATOM 108 C ALA A 7 65.667 6.691 13.789 1.00 0.00 C ATOM 109 O ALA A 7 64.957 6.476 14.753 1.00 0.00 O ATOM 110 CB ALA A 7 67.945 7.760 14.035 1.00 0.00 C ATOM 0 H ALA A 7 68.329 6.488 12.042 1.00 0.00 H new ATOM 0 HA ALA A 7 67.368 5.756 14.673 1.00 0.00 H new ATOM 0 HB1 ALA A 7 67.656 8.215 14.982 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.017 7.563 14.039 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.704 8.440 13.218 1.00 0.00 H new ATOM 116 N ALA A 8 65.168 7.123 12.650 1.00 0.00 N ATOM 117 CA ALA A 8 63.697 7.367 12.509 1.00 0.00 C ATOM 118 C ALA A 8 62.926 6.039 12.603 1.00 0.00 C ATOM 119 O ALA A 8 61.776 6.015 13.000 1.00 0.00 O ATOM 120 CB ALA A 8 63.524 7.996 11.124 1.00 0.00 C ATOM 0 H ALA A 8 65.719 7.316 11.813 1.00 0.00 H new ATOM 0 HA ALA A 8 63.310 8.014 13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.469 8.204 10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.090 8.926 11.073 1.00 0.00 H new ATOM 0 HB3 ALA A 8 63.890 7.307 10.363 1.00 0.00 H new ATOM 126 N VAL A 9 63.553 4.935 12.257 1.00 0.00 N ATOM 127 CA VAL A 9 62.856 3.612 12.350 1.00 0.00 C ATOM 128 C VAL A 9 62.425 3.363 13.803 1.00 0.00 C ATOM 129 O VAL A 9 61.338 2.883 14.059 1.00 0.00 O ATOM 130 CB VAL A 9 63.885 2.567 11.888 1.00 0.00 C ATOM 131 CG1 VAL A 9 63.353 1.156 12.160 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.131 2.730 10.385 1.00 0.00 C ATOM 0 H VAL A 9 64.513 4.895 11.916 1.00 0.00 H new ATOM 0 HA VAL A 9 61.957 3.569 11.735 1.00 0.00 H new ATOM 0 HB VAL A 9 64.816 2.714 12.436 1.00 0.00 H new ATOM 0 HG11 VAL A 9 64.087 0.421 11.830 1.00 0.00 H new ATOM 0 HG12 VAL A 9 63.172 1.035 13.228 1.00 0.00 H new ATOM 0 HG13 VAL A 9 62.421 1.007 11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 9 64.860 1.991 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.195 2.584 9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.513 3.731 10.185 1.00 0.00 H new ATOM 142 N GLU A 10 63.263 3.708 14.755 1.00 0.00 N ATOM 143 CA GLU A 10 62.897 3.518 16.193 1.00 0.00 C ATOM 144 C GLU A 10 61.655 4.357 16.535 1.00 0.00 C ATOM 145 O GLU A 10 60.858 3.978 17.372 1.00 0.00 O ATOM 146 CB GLU A 10 64.122 3.992 16.983 1.00 0.00 C ATOM 147 CG GLU A 10 65.059 2.804 17.243 1.00 0.00 C ATOM 148 CD GLU A 10 65.439 2.131 15.920 1.00 0.00 C ATOM 149 OE1 GLU A 10 66.330 2.634 15.257 1.00 0.00 O ATOM 150 OE2 GLU A 10 64.829 1.125 15.594 1.00 0.00 O ATOM 0 H GLU A 10 64.185 4.113 14.595 1.00 0.00 H new ATOM 0 HA GLU A 10 62.648 2.483 16.428 1.00 0.00 H new ATOM 0 HB2 GLU A 10 64.648 4.768 16.427 1.00 0.00 H new ATOM 0 HB3 GLU A 10 63.809 4.435 17.929 1.00 0.00 H new ATOM 0 HG2 GLU A 10 65.957 3.146 17.757 1.00 0.00 H new ATOM 0 HG3 GLU A 10 64.571 2.083 17.899 1.00 0.00 H new ATOM 157 N GLN A 11 61.471 5.481 15.870 1.00 0.00 N ATOM 158 CA GLN A 11 60.261 6.328 16.130 1.00 0.00 C ATOM 159 C GLN A 11 58.995 5.514 15.829 1.00 0.00 C ATOM 160 O GLN A 11 57.982 5.655 16.486 1.00 0.00 O ATOM 161 CB GLN A 11 60.379 7.516 15.168 1.00 0.00 C ATOM 162 CG GLN A 11 60.070 8.814 15.917 1.00 0.00 C ATOM 163 CD GLN A 11 61.203 9.817 15.690 1.00 0.00 C ATOM 164 OE1 GLN A 11 61.211 10.530 14.708 1.00 0.00 O ATOM 165 NE2 GLN A 11 62.167 9.903 16.562 1.00 0.00 N ATOM 0 H GLN A 11 62.107 5.845 15.161 1.00 0.00 H new ATOM 0 HA GLN A 11 60.200 6.661 17.166 1.00 0.00 H new ATOM 0 HB2 GLN A 11 61.383 7.558 14.746 1.00 0.00 H new ATOM 0 HB3 GLN A 11 59.688 7.392 14.334 1.00 0.00 H new ATOM 0 HG2 GLN A 11 59.125 9.231 15.568 1.00 0.00 H new ATOM 0 HG3 GLN A 11 59.956 8.613 16.982 1.00 0.00 H new ATOM 0 HE21 GLN A 11 62.162 9.305 17.388 1.00 0.00 H new ATOM 0 HE22 GLN A 11 62.926 10.569 16.419 1.00 0.00 H new ATOM 174 N LEU A 12 59.066 4.643 14.850 1.00 0.00 N ATOM 175 CA LEU A 12 57.893 3.778 14.503 1.00 0.00 C ATOM 176 C LEU A 12 57.626 2.783 15.646 1.00 0.00 C ATOM 177 O LEU A 12 56.533 2.282 15.800 1.00 0.00 O ATOM 178 CB LEU A 12 58.319 3.018 13.244 1.00 0.00 C ATOM 179 CG LEU A 12 58.692 3.994 12.129 1.00 0.00 C ATOM 180 CD1 LEU A 12 59.557 3.267 11.099 1.00 0.00 C ATOM 181 CD2 LEU A 12 57.417 4.503 11.460 1.00 0.00 C ATOM 0 H LEU A 12 59.893 4.493 14.272 1.00 0.00 H new ATOM 0 HA LEU A 12 56.983 4.358 14.347 1.00 0.00 H new ATOM 0 HB2 LEU A 12 59.169 2.374 13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 12 57.508 2.370 12.912 1.00 0.00 H new ATOM 0 HG LEU A 12 59.246 4.837 12.541 1.00 0.00 H new ATOM 0 HD11 LEU A 12 59.828 3.957 10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 12 60.462 2.896 11.580 1.00 0.00 H new ATOM 0 HD13 LEU A 12 58.999 2.429 10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 12 57.677 5.200 10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 12 56.866 3.662 11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 12 56.797 5.011 12.198 1.00 0.00 H new ATOM 193 N THR A 13 58.647 2.504 16.427 1.00 0.00 N ATOM 194 CA THR A 13 58.568 1.544 17.590 1.00 0.00 C ATOM 195 C THR A 13 58.517 0.097 17.099 1.00 0.00 C ATOM 196 O THR A 13 58.304 -0.172 15.930 1.00 0.00 O ATOM 197 CB THR A 13 57.322 1.896 18.441 1.00 0.00 C ATOM 198 OG1 THR A 13 56.178 1.197 17.961 1.00 0.00 O ATOM 199 CG2 THR A 13 57.058 3.408 18.423 1.00 0.00 C ATOM 0 H THR A 13 59.571 2.918 16.303 1.00 0.00 H new ATOM 0 HA THR A 13 59.462 1.639 18.207 1.00 0.00 H new ATOM 0 HB THR A 13 57.518 1.590 19.469 1.00 0.00 H new ATOM 0 HG1 THR A 13 56.158 1.236 16.982 1.00 0.00 H new ATOM 0 HG21 THR A 13 56.179 3.631 19.027 1.00 0.00 H new ATOM 0 HG22 THR A 13 57.921 3.933 18.831 1.00 0.00 H new ATOM 0 HG23 THR A 13 56.886 3.735 17.398 1.00 0.00 H new ATOM 207 N GLU A 14 58.735 -0.838 17.991 1.00 0.00 N ATOM 208 CA GLU A 14 58.727 -2.278 17.593 1.00 0.00 C ATOM 209 C GLU A 14 57.390 -2.656 16.947 1.00 0.00 C ATOM 210 O GLU A 14 57.340 -3.508 16.080 1.00 0.00 O ATOM 211 CB GLU A 14 58.959 -3.065 18.890 1.00 0.00 C ATOM 212 CG GLU A 14 60.076 -4.104 18.684 1.00 0.00 C ATOM 213 CD GLU A 14 61.246 -3.491 17.899 1.00 0.00 C ATOM 214 OE1 GLU A 14 61.778 -2.483 18.340 1.00 0.00 O ATOM 215 OE2 GLU A 14 61.589 -4.042 16.866 1.00 0.00 O ATOM 0 H GLU A 14 58.918 -0.665 18.979 1.00 0.00 H new ATOM 0 HA GLU A 14 59.496 -2.497 16.852 1.00 0.00 H new ATOM 0 HB2 GLU A 14 59.230 -2.382 19.695 1.00 0.00 H new ATOM 0 HB3 GLU A 14 58.038 -3.564 19.192 1.00 0.00 H new ATOM 0 HG2 GLU A 14 60.428 -4.464 19.651 1.00 0.00 H new ATOM 0 HG3 GLU A 14 59.683 -4.967 18.147 1.00 0.00 H new ATOM 222 N GLU A 15 56.313 -2.018 17.343 1.00 0.00 N ATOM 223 CA GLU A 15 54.990 -2.333 16.723 1.00 0.00 C ATOM 224 C GLU A 15 55.073 -2.115 15.208 1.00 0.00 C ATOM 225 O GLU A 15 54.671 -2.960 14.433 1.00 0.00 O ATOM 226 CB GLU A 15 53.991 -1.360 17.361 1.00 0.00 C ATOM 227 CG GLU A 15 53.101 -2.122 18.348 1.00 0.00 C ATOM 228 CD GLU A 15 53.863 -2.358 19.656 1.00 0.00 C ATOM 229 OE1 GLU A 15 54.631 -3.304 19.708 1.00 0.00 O ATOM 230 OE2 GLU A 15 53.661 -1.590 20.582 1.00 0.00 O ATOM 0 H GLU A 15 56.295 -1.297 18.065 1.00 0.00 H new ATOM 0 HA GLU A 15 54.688 -3.367 16.888 1.00 0.00 H new ATOM 0 HB2 GLU A 15 54.523 -0.560 17.876 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.380 -0.891 16.590 1.00 0.00 H new ATOM 0 HG2 GLU A 15 52.191 -1.555 18.544 1.00 0.00 H new ATOM 0 HG3 GLU A 15 52.796 -3.075 17.916 1.00 0.00 H new ATOM 237 N GLN A 16 55.618 -0.997 14.782 1.00 0.00 N ATOM 238 CA GLN A 16 55.746 -0.743 13.314 1.00 0.00 C ATOM 239 C GLN A 16 56.840 -1.627 12.723 1.00 0.00 C ATOM 240 O GLN A 16 56.713 -2.150 11.633 1.00 0.00 O ATOM 241 CB GLN A 16 56.109 0.727 13.169 1.00 0.00 C ATOM 242 CG GLN A 16 54.885 1.564 13.518 1.00 0.00 C ATOM 243 CD GLN A 16 54.879 2.865 12.713 1.00 0.00 C ATOM 244 OE1 GLN A 16 54.946 2.843 11.501 1.00 0.00 O ATOM 245 NE2 GLN A 16 54.792 4.006 13.337 1.00 0.00 N ATOM 0 H GLN A 16 55.976 -0.256 15.385 1.00 0.00 H new ATOM 0 HA GLN A 16 54.822 -0.974 12.784 1.00 0.00 H new ATOM 0 HB2 GLN A 16 56.940 0.979 13.828 1.00 0.00 H new ATOM 0 HB3 GLN A 16 56.434 0.938 12.150 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.978 0.997 13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 16 54.883 1.789 14.584 1.00 0.00 H new ATOM 0 HE21 GLN A 16 54.736 4.027 14.355 1.00 0.00 H new ATOM 0 HE22 GLN A 16 54.780 4.877 12.807 1.00 0.00 H new ATOM 254 N LYS A 17 57.907 -1.806 13.452 1.00 0.00 N ATOM 255 CA LYS A 17 59.028 -2.673 12.967 1.00 0.00 C ATOM 256 C LYS A 17 58.486 -4.073 12.655 1.00 0.00 C ATOM 257 O LYS A 17 58.762 -4.636 11.612 1.00 0.00 O ATOM 258 CB LYS A 17 60.038 -2.719 14.119 1.00 0.00 C ATOM 259 CG LYS A 17 61.420 -2.306 13.605 1.00 0.00 C ATOM 260 CD LYS A 17 62.087 -1.373 14.622 1.00 0.00 C ATOM 261 CE LYS A 17 63.349 -2.036 15.180 1.00 0.00 C ATOM 262 NZ LYS A 17 63.642 -1.303 16.445 1.00 0.00 N ATOM 0 H LYS A 17 58.055 -1.387 14.370 1.00 0.00 H new ATOM 0 HA LYS A 17 59.491 -2.293 12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.722 -2.051 14.920 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.080 -3.724 14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.039 -3.189 13.445 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.326 -1.804 12.642 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.342 -0.425 14.148 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.394 -1.148 15.433 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.187 -3.098 15.367 1.00 0.00 H new ATOM 0 HE3 LYS A 17 64.179 -1.959 14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.485 -1.712 16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.815 -0.300 16.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.830 -1.386 17.090 1.00 0.00 H new ATOM 276 N ASN A 18 57.690 -4.620 13.541 1.00 0.00 N ATOM 277 CA ASN A 18 57.091 -5.966 13.291 1.00 0.00 C ATOM 278 C ASN A 18 56.027 -5.850 12.190 1.00 0.00 C ATOM 279 O ASN A 18 55.881 -6.730 11.361 1.00 0.00 O ATOM 280 CB ASN A 18 56.458 -6.380 14.624 1.00 0.00 C ATOM 281 CG ASN A 18 57.515 -7.052 15.502 1.00 0.00 C ATOM 282 OD1 ASN A 18 57.727 -8.244 15.413 1.00 0.00 O ATOM 283 ND2 ASN A 18 58.194 -6.335 16.353 1.00 0.00 N ATOM 0 H ASN A 18 57.429 -4.190 14.429 1.00 0.00 H new ATOM 0 HA ASN A 18 57.824 -6.700 12.958 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.049 -5.506 15.132 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.628 -7.064 14.448 1.00 0.00 H new ATOM 0 HD21 ASN A 18 58.901 -6.776 16.942 1.00 0.00 H new ATOM 0 HD22 ASN A 18 58.018 -5.333 16.430 1.00 0.00 H new ATOM 290 N GLU A 19 55.295 -4.756 12.170 1.00 0.00 N ATOM 291 CA GLU A 19 54.249 -4.557 11.116 1.00 0.00 C ATOM 292 C GLU A 19 54.904 -4.519 9.729 1.00 0.00 C ATOM 293 O GLU A 19 54.512 -5.240 8.832 1.00 0.00 O ATOM 294 CB GLU A 19 53.605 -3.203 11.436 1.00 0.00 C ATOM 295 CG GLU A 19 52.388 -3.407 12.345 1.00 0.00 C ATOM 296 CD GLU A 19 51.773 -2.049 12.692 1.00 0.00 C ATOM 297 OE1 GLU A 19 52.310 -1.379 13.559 1.00 0.00 O ATOM 298 OE2 GLU A 19 50.774 -1.702 12.084 1.00 0.00 O ATOM 0 H GLU A 19 55.379 -3.992 12.841 1.00 0.00 H new ATOM 0 HA GLU A 19 53.516 -5.363 11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 19 54.330 -2.552 11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.302 -2.707 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.650 -4.035 11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.685 -3.927 13.256 1.00 0.00 H new ATOM 305 N PHE A 20 55.906 -3.687 9.553 1.00 0.00 N ATOM 306 CA PHE A 20 56.599 -3.607 8.228 1.00 0.00 C ATOM 307 C PHE A 20 57.252 -4.955 7.900 1.00 0.00 C ATOM 308 O PHE A 20 57.209 -5.407 6.776 1.00 0.00 O ATOM 309 CB PHE A 20 57.662 -2.510 8.382 1.00 0.00 C ATOM 310 CG PHE A 20 56.997 -1.150 8.430 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.000 -0.815 7.504 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.381 -0.224 9.406 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.388 0.443 7.558 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.770 1.034 9.459 1.00 0.00 C ATOM 315 CZ PHE A 20 55.774 1.367 8.536 1.00 0.00 C ATOM 0 H PHE A 20 56.272 -3.061 10.270 1.00 0.00 H new ATOM 0 HA PHE A 20 55.909 -3.377 7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 20 58.238 -2.675 9.293 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.364 -2.552 7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.704 -1.528 6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.150 -0.480 10.120 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.618 0.700 6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.068 1.748 10.213 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.302 2.338 8.578 1.00 0.00 H new ATOM 325 N LYS A 21 57.839 -5.606 8.878 1.00 0.00 N ATOM 326 CA LYS A 21 58.475 -6.940 8.628 1.00 0.00 C ATOM 327 C LYS A 21 57.418 -7.922 8.097 1.00 0.00 C ATOM 328 O LYS A 21 57.644 -8.625 7.132 1.00 0.00 O ATOM 329 CB LYS A 21 59.007 -7.389 9.999 1.00 0.00 C ATOM 330 CG LYS A 21 59.222 -8.910 10.021 1.00 0.00 C ATOM 331 CD LYS A 21 60.379 -9.283 9.086 1.00 0.00 C ATOM 332 CE LYS A 21 60.199 -10.724 8.595 1.00 0.00 C ATOM 333 NZ LYS A 21 61.050 -10.829 7.375 1.00 0.00 N ATOM 0 H LYS A 21 57.905 -5.271 9.839 1.00 0.00 H new ATOM 0 HA LYS A 21 59.272 -6.898 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 21 59.946 -6.880 10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 21 58.302 -7.104 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 21 59.441 -9.241 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 21 58.311 -9.420 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 21 60.409 -8.600 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 21 61.330 -9.182 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 21 60.510 -11.441 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 21 59.154 -10.935 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 61.528 -11.753 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 60.454 -10.737 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 61.762 -10.071 7.382 1.00 0.00 H new ATOM 347 N ALA A 22 56.266 -7.960 8.720 1.00 0.00 N ATOM 348 CA ALA A 22 55.182 -8.880 8.256 1.00 0.00 C ATOM 349 C ALA A 22 54.643 -8.410 6.898 1.00 0.00 C ATOM 350 O ALA A 22 54.493 -9.192 5.977 1.00 0.00 O ATOM 351 CB ALA A 22 54.103 -8.793 9.337 1.00 0.00 C ATOM 0 H ALA A 22 56.029 -7.391 9.533 1.00 0.00 H new ATOM 0 HA ALA A 22 55.529 -9.904 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 22 53.268 -9.442 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 22 54.519 -9.111 10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 22 53.751 -7.764 9.418 1.00 0.00 H new ATOM 357 N ALA A 23 54.373 -7.131 6.762 1.00 0.00 N ATOM 358 CA ALA A 23 53.869 -6.597 5.456 1.00 0.00 C ATOM 359 C ALA A 23 54.932 -6.813 4.368 1.00 0.00 C ATOM 360 O ALA A 23 54.614 -7.085 3.226 1.00 0.00 O ATOM 361 CB ALA A 23 53.634 -5.104 5.698 1.00 0.00 C ATOM 0 H ALA A 23 54.480 -6.435 7.500 1.00 0.00 H new ATOM 0 HA ALA A 23 52.959 -7.095 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.263 -4.641 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.900 -4.975 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.572 -4.631 5.989 1.00 0.00 H new ATOM 367 N PHE A 24 56.191 -6.715 4.728 1.00 0.00 N ATOM 368 CA PHE A 24 57.290 -6.936 3.738 1.00 0.00 C ATOM 369 C PHE A 24 57.187 -8.363 3.182 1.00 0.00 C ATOM 370 O PHE A 24 57.214 -8.572 1.983 1.00 0.00 O ATOM 371 CB PHE A 24 58.584 -6.743 4.541 1.00 0.00 C ATOM 372 CG PHE A 24 59.786 -6.907 3.639 1.00 0.00 C ATOM 373 CD1 PHE A 24 60.314 -5.799 2.969 1.00 0.00 C ATOM 374 CD2 PHE A 24 60.373 -8.168 3.477 1.00 0.00 C ATOM 375 CE1 PHE A 24 61.428 -5.950 2.135 1.00 0.00 C ATOM 376 CE2 PHE A 24 61.487 -8.320 2.643 1.00 0.00 C ATOM 377 CZ PHE A 24 62.014 -7.210 1.972 1.00 0.00 C ATOM 0 H PHE A 24 56.504 -6.490 5.672 1.00 0.00 H new ATOM 0 HA PHE A 24 57.248 -6.257 2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.594 -5.753 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 24 58.628 -7.468 5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.862 -4.826 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.966 -9.024 3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.835 -5.094 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.939 -9.293 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.873 -7.326 1.328 1.00 0.00 H new ATOM 387 N ASP A 25 57.042 -9.340 4.046 1.00 0.00 N ATOM 388 CA ASP A 25 56.905 -10.753 3.574 1.00 0.00 C ATOM 389 C ASP A 25 55.606 -10.896 2.763 1.00 0.00 C ATOM 390 O ASP A 25 55.549 -11.629 1.794 1.00 0.00 O ATOM 391 CB ASP A 25 56.862 -11.608 4.849 1.00 0.00 C ATOM 392 CG ASP A 25 58.273 -11.735 5.439 1.00 0.00 C ATOM 393 OD1 ASP A 25 58.919 -10.715 5.620 1.00 0.00 O ATOM 394 OD2 ASP A 25 58.683 -12.852 5.704 1.00 0.00 O ATOM 0 H ASP A 25 57.013 -9.219 5.058 1.00 0.00 H new ATOM 0 HA ASP A 25 57.724 -11.062 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 25 56.192 -11.154 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.463 -12.596 4.621 1.00 0.00 H new ATOM 399 N ILE A 26 54.572 -10.174 3.136 1.00 0.00 N ATOM 400 CA ILE A 26 53.288 -10.238 2.368 1.00 0.00 C ATOM 401 C ILE A 26 53.506 -9.631 0.970 1.00 0.00 C ATOM 402 O ILE A 26 52.938 -10.079 -0.008 1.00 0.00 O ATOM 403 CB ILE A 26 52.283 -9.400 3.180 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.891 -10.153 4.462 1.00 0.00 C ATOM 405 CG2 ILE A 26 51.032 -9.120 2.338 1.00 0.00 C ATOM 406 CD1 ILE A 26 51.005 -11.358 4.124 1.00 0.00 C ATOM 0 H ILE A 26 54.564 -9.545 3.939 1.00 0.00 H new ATOM 0 HA ILE A 26 52.928 -11.258 2.231 1.00 0.00 H new ATOM 0 HB ILE A 26 52.748 -8.452 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 26 52.788 -10.488 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.361 -9.482 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 26 50.327 -8.527 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 26 51.313 -8.570 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.565 -10.063 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.736 -11.881 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.100 -11.015 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 26 51.549 -12.036 3.466 1.00 0.00 H new ATOM 418 N PHE A 27 54.340 -8.621 0.878 1.00 0.00 N ATOM 419 CA PHE A 27 54.625 -7.976 -0.444 1.00 0.00 C ATOM 420 C PHE A 27 55.342 -8.961 -1.383 1.00 0.00 C ATOM 421 O PHE A 27 55.142 -8.940 -2.583 1.00 0.00 O ATOM 422 CB PHE A 27 55.549 -6.797 -0.112 1.00 0.00 C ATOM 423 CG PHE A 27 55.216 -5.601 -0.979 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.108 -5.741 -2.370 1.00 0.00 C ATOM 425 CD2 PHE A 27 55.023 -4.347 -0.387 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.806 -4.628 -3.163 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.722 -3.235 -1.182 1.00 0.00 C ATOM 428 CZ PHE A 27 54.613 -3.375 -2.570 1.00 0.00 C ATOM 0 H PHE A 27 54.839 -8.213 1.669 1.00 0.00 H new ATOM 0 HA PHE A 27 53.713 -7.662 -0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.445 -6.531 0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.588 -7.087 -0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.258 -6.707 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 27 55.106 -4.238 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.722 -4.736 -4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.574 -2.268 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.380 -2.517 -3.183 1.00 0.00 H new ATOM 438 N VAL A 28 56.182 -9.815 -0.847 1.00 0.00 N ATOM 439 CA VAL A 28 56.922 -10.792 -1.715 1.00 0.00 C ATOM 440 C VAL A 28 56.188 -12.141 -1.823 1.00 0.00 C ATOM 441 O VAL A 28 56.665 -13.048 -2.480 1.00 0.00 O ATOM 442 CB VAL A 28 58.299 -10.980 -1.058 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.028 -9.637 -0.990 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.140 -11.542 0.358 1.00 0.00 C ATOM 0 H VAL A 28 56.388 -9.879 0.150 1.00 0.00 H new ATOM 0 HA VAL A 28 57.002 -10.413 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 28 58.878 -11.682 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 28 60.003 -9.776 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.160 -9.243 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.440 -8.934 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.123 -11.670 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.550 -10.851 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.633 -12.506 0.312 1.00 0.00 H new ATOM 454 N LEU A 29 55.036 -12.289 -1.207 1.00 0.00 N ATOM 455 CA LEU A 29 54.297 -13.591 -1.312 1.00 0.00 C ATOM 456 C LEU A 29 53.900 -13.843 -2.770 1.00 0.00 C ATOM 457 O LEU A 29 54.093 -14.921 -3.297 1.00 0.00 O ATOM 458 CB LEU A 29 53.055 -13.438 -0.429 1.00 0.00 C ATOM 459 CG LEU A 29 53.290 -14.168 0.892 1.00 0.00 C ATOM 460 CD1 LEU A 29 52.316 -13.644 1.949 1.00 0.00 C ATOM 461 CD2 LEU A 29 53.063 -15.668 0.695 1.00 0.00 C ATOM 0 H LEU A 29 54.580 -11.573 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 29 54.905 -14.436 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.852 -12.383 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.181 -13.848 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 29 54.314 -13.993 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 29 52.485 -14.166 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 29 52.476 -12.575 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.292 -13.817 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 29 53.231 -16.188 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 29 52.039 -15.841 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 29 53.757 -16.045 -0.056 1.00 0.00 H new ATOM 473 N GLY A 30 53.370 -12.844 -3.429 1.00 0.00 N ATOM 474 CA GLY A 30 52.985 -13.002 -4.862 1.00 0.00 C ATOM 475 C GLY A 30 54.037 -12.305 -5.729 1.00 0.00 C ATOM 476 O GLY A 30 53.713 -11.594 -6.661 1.00 0.00 O ATOM 0 H GLY A 30 53.187 -11.922 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 30 52.920 -14.058 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 30 52.001 -12.569 -5.039 1.00 0.00 H new ATOM 480 N ALA A 31 55.298 -12.492 -5.414 1.00 0.00 N ATOM 481 CA ALA A 31 56.380 -11.828 -6.205 1.00 0.00 C ATOM 482 C ALA A 31 57.077 -12.826 -7.138 1.00 0.00 C ATOM 483 O ALA A 31 57.489 -13.895 -6.728 1.00 0.00 O ATOM 484 CB ALA A 31 57.365 -11.300 -5.158 1.00 0.00 C ATOM 0 H ALA A 31 55.623 -13.076 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 31 55.985 -11.037 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 31 58.192 -10.797 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 31 56.855 -10.595 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 31 57.750 -12.132 -4.568 1.00 0.00 H new ATOM 524 N CYS A 35 61.816 -10.869 -4.163 1.00 0.00 N ATOM 525 CA CYS A 35 61.853 -9.735 -3.187 1.00 0.00 C ATOM 526 C CYS A 35 61.000 -8.567 -3.707 1.00 0.00 C ATOM 527 O CYS A 35 60.289 -8.700 -4.686 1.00 0.00 O ATOM 528 CB CYS A 35 63.329 -9.337 -3.097 1.00 0.00 C ATOM 529 SG CYS A 35 64.097 -10.186 -1.695 1.00 0.00 S ATOM 0 HA CYS A 35 61.451 -10.009 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 35 63.844 -9.598 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 35 63.419 -8.257 -2.976 1.00 0.00 H new ATOM 0 HG CYS A 35 65.351 -9.851 -1.619 1.00 0.00 H new ATOM 535 N ILE A 36 61.059 -7.428 -3.063 1.00 0.00 N ATOM 536 CA ILE A 36 60.242 -6.266 -3.531 1.00 0.00 C ATOM 537 C ILE A 36 61.033 -5.422 -4.539 1.00 0.00 C ATOM 538 O ILE A 36 61.880 -4.625 -4.177 1.00 0.00 O ATOM 539 CB ILE A 36 59.911 -5.452 -2.272 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.006 -6.278 -1.351 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.177 -4.165 -2.669 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.908 -5.600 0.021 1.00 0.00 C ATOM 0 H ILE A 36 61.634 -7.253 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 36 59.335 -6.591 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 36 60.837 -5.202 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.014 -6.374 -1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.405 -7.286 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.943 -3.589 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.812 -3.572 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.253 -4.419 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.264 -6.190 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.902 -5.527 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.488 -4.601 -0.096 1.00 0.00 H new ATOM 554 N SER A 37 60.742 -5.585 -5.803 1.00 0.00 N ATOM 555 CA SER A 37 61.441 -4.789 -6.856 1.00 0.00 C ATOM 556 C SER A 37 60.431 -3.849 -7.523 1.00 0.00 C ATOM 557 O SER A 37 59.269 -3.833 -7.168 1.00 0.00 O ATOM 558 CB SER A 37 61.973 -5.819 -7.859 1.00 0.00 C ATOM 559 OG SER A 37 60.882 -6.420 -8.552 1.00 0.00 O ATOM 0 H SER A 37 60.044 -6.241 -6.154 1.00 0.00 H new ATOM 0 HA SER A 37 62.249 -4.176 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.646 -5.337 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.552 -6.583 -7.339 1.00 0.00 H new ATOM 0 HG SER A 37 61.224 -7.077 -9.194 1.00 0.00 H new ATOM 565 N THR A 38 60.850 -3.073 -8.486 1.00 0.00 N ATOM 566 CA THR A 38 59.887 -2.148 -9.169 1.00 0.00 C ATOM 567 C THR A 38 58.789 -2.957 -9.872 1.00 0.00 C ATOM 568 O THR A 38 57.626 -2.602 -9.826 1.00 0.00 O ATOM 569 CB THR A 38 60.716 -1.362 -10.187 1.00 0.00 C ATOM 570 OG1 THR A 38 61.600 -2.243 -10.869 1.00 0.00 O ATOM 571 CG2 THR A 38 61.523 -0.286 -9.461 1.00 0.00 C ATOM 0 H THR A 38 61.809 -3.036 -8.831 1.00 0.00 H new ATOM 0 HA THR A 38 59.392 -1.482 -8.463 1.00 0.00 H new ATOM 0 HB THR A 38 60.050 -0.892 -10.911 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.128 -1.737 -11.521 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.114 0.275 -10.184 1.00 0.00 H new ATOM 0 HG22 THR A 38 60.844 0.392 -8.944 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.187 -0.756 -8.736 1.00 0.00 H new ATOM 579 N LYS A 39 59.149 -4.049 -10.510 1.00 0.00 N ATOM 580 CA LYS A 39 58.126 -4.898 -11.206 1.00 0.00 C ATOM 581 C LYS A 39 57.101 -5.424 -10.191 1.00 0.00 C ATOM 582 O LYS A 39 55.926 -5.546 -10.487 1.00 0.00 O ATOM 583 CB LYS A 39 58.922 -6.052 -11.823 1.00 0.00 C ATOM 584 CG LYS A 39 58.091 -6.718 -12.923 1.00 0.00 C ATOM 585 CD LYS A 39 58.567 -8.161 -13.126 1.00 0.00 C ATOM 586 CE LYS A 39 57.540 -9.131 -12.535 1.00 0.00 C ATOM 587 NZ LYS A 39 57.882 -9.224 -11.087 1.00 0.00 N ATOM 0 H LYS A 39 60.108 -4.389 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 39 57.568 -4.344 -11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 39 59.860 -5.680 -12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 39 59.179 -6.782 -11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 39 57.035 -6.708 -12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 39 58.186 -6.159 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 39 58.703 -8.363 -14.188 1.00 0.00 H new ATOM 0 HD3 LYS A 39 59.536 -8.305 -12.647 1.00 0.00 H new ATOM 0 HE2 LYS A 39 56.524 -8.764 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 57.597 -10.107 -13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.152 -9.776 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 58.804 -9.692 -10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 57.929 -8.268 -10.679 1.00 0.00 H new ATOM 601 N GLU A 40 57.539 -5.718 -8.992 1.00 0.00 N ATOM 602 CA GLU A 40 56.602 -6.215 -7.941 1.00 0.00 C ATOM 603 C GLU A 40 55.907 -5.024 -7.264 1.00 0.00 C ATOM 604 O GLU A 40 54.730 -5.070 -6.959 1.00 0.00 O ATOM 605 CB GLU A 40 57.491 -6.964 -6.941 1.00 0.00 C ATOM 606 CG GLU A 40 56.937 -8.372 -6.712 1.00 0.00 C ATOM 607 CD GLU A 40 57.296 -9.264 -7.901 1.00 0.00 C ATOM 608 OE1 GLU A 40 58.416 -9.741 -7.947 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.441 -9.459 -8.746 1.00 0.00 O ATOM 0 H GLU A 40 58.511 -5.634 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 40 55.819 -6.858 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.512 -7.021 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.531 -6.420 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.348 -8.790 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 40 55.855 -8.332 -6.588 1.00 0.00 H new ATOM 616 N LEU A 41 56.636 -3.957 -7.035 1.00 0.00 N ATOM 617 CA LEU A 41 56.046 -2.743 -6.385 1.00 0.00 C ATOM 618 C LEU A 41 54.934 -2.149 -7.260 1.00 0.00 C ATOM 619 O LEU A 41 53.854 -1.852 -6.784 1.00 0.00 O ATOM 620 CB LEU A 41 57.218 -1.752 -6.262 1.00 0.00 C ATOM 621 CG LEU A 41 56.693 -0.320 -6.089 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.762 -0.246 -4.878 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.871 0.630 -5.881 1.00 0.00 C ATOM 0 H LEU A 41 57.624 -3.875 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 41 55.596 -2.973 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.843 -2.022 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.847 -1.811 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 41 56.140 -0.032 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.395 0.774 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.919 -0.921 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 41 56.308 -0.538 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.500 1.648 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.423 0.335 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.531 0.587 -6.747 1.00 0.00 H new ATOM 635 N GLY A 42 55.202 -1.960 -8.529 1.00 0.00 N ATOM 636 CA GLY A 42 54.180 -1.366 -9.443 1.00 0.00 C ATOM 637 C GLY A 42 52.867 -2.159 -9.383 1.00 0.00 C ATOM 638 O GLY A 42 51.797 -1.584 -9.420 1.00 0.00 O ATOM 0 H GLY A 42 56.090 -2.193 -8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.996 -0.328 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.560 -1.359 -10.465 1.00 0.00 H new ATOM 642 N LYS A 43 52.936 -3.468 -9.285 1.00 0.00 N ATOM 643 CA LYS A 43 51.677 -4.286 -9.216 1.00 0.00 C ATOM 644 C LYS A 43 50.779 -3.788 -8.070 1.00 0.00 C ATOM 645 O LYS A 43 49.577 -3.677 -8.218 1.00 0.00 O ATOM 646 CB LYS A 43 52.140 -5.727 -8.956 1.00 0.00 C ATOM 647 CG LYS A 43 51.837 -6.592 -10.185 1.00 0.00 C ATOM 648 CD LYS A 43 51.957 -8.076 -9.819 1.00 0.00 C ATOM 649 CE LYS A 43 53.405 -8.541 -10.009 1.00 0.00 C ATOM 650 NZ LYS A 43 53.753 -9.256 -8.748 1.00 0.00 N ATOM 0 H LYS A 43 53.803 -4.004 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 43 51.091 -4.212 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.208 -5.744 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.632 -6.131 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.833 -6.379 -10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 43 52.530 -6.350 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.648 -8.231 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 43 51.290 -8.669 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.497 -9.199 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 43 54.071 -7.695 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.737 -9.589 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 53.647 -8.608 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 53.118 -10.070 -8.624 1.00 0.00 H new ATOM 664 N VAL A 44 51.359 -3.472 -6.937 1.00 0.00 N ATOM 665 CA VAL A 44 50.547 -2.963 -5.784 1.00 0.00 C ATOM 666 C VAL A 44 50.299 -1.455 -5.945 1.00 0.00 C ATOM 667 O VAL A 44 49.241 -0.955 -5.612 1.00 0.00 O ATOM 668 CB VAL A 44 51.396 -3.238 -4.535 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.614 -2.843 -3.278 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.743 -4.728 -4.461 1.00 0.00 C ATOM 0 H VAL A 44 52.361 -3.544 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 44 49.572 -3.446 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 44 52.313 -2.651 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.221 -3.040 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.369 -1.782 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.694 -3.426 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.346 -4.918 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.825 -5.313 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.306 -5.015 -5.349 1.00 0.00 H new ATOM 680 N MET A 45 51.270 -0.732 -6.456 1.00 0.00 N ATOM 681 CA MET A 45 51.101 0.747 -6.648 1.00 0.00 C ATOM 682 C MET A 45 49.956 1.033 -7.624 1.00 0.00 C ATOM 683 O MET A 45 49.165 1.929 -7.410 1.00 0.00 O ATOM 684 CB MET A 45 52.430 1.234 -7.223 1.00 0.00 C ATOM 685 CG MET A 45 53.495 1.200 -6.126 1.00 0.00 C ATOM 686 SD MET A 45 53.233 2.578 -4.984 1.00 0.00 S ATOM 687 CE MET A 45 54.153 3.817 -5.923 1.00 0.00 C ATOM 0 H MET A 45 52.174 -1.103 -6.749 1.00 0.00 H new ATOM 0 HA MET A 45 50.854 1.253 -5.715 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.731 0.603 -8.059 1.00 0.00 H new ATOM 0 HB3 MET A 45 52.323 2.247 -7.611 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.447 0.254 -5.587 1.00 0.00 H new ATOM 0 HG3 MET A 45 54.489 1.265 -6.568 1.00 0.00 H new ATOM 0 HE1 MET A 45 55.133 3.963 -5.469 1.00 0.00 H new ATOM 0 HE2 MET A 45 54.276 3.477 -6.951 1.00 0.00 H new ATOM 0 HE3 MET A 45 53.606 4.760 -5.916 1.00 0.00 H new ATOM 697 N ARG A 46 49.852 0.272 -8.686 1.00 0.00 N ATOM 698 CA ARG A 46 48.741 0.494 -9.664 1.00 0.00 C ATOM 699 C ARG A 46 47.398 0.144 -9.006 1.00 0.00 C ATOM 700 O ARG A 46 46.401 0.805 -9.223 1.00 0.00 O ATOM 701 CB ARG A 46 49.042 -0.446 -10.837 1.00 0.00 C ATOM 702 CG ARG A 46 48.140 -0.100 -12.026 1.00 0.00 C ATOM 703 CD ARG A 46 48.414 1.335 -12.483 1.00 0.00 C ATOM 704 NE ARG A 46 47.941 1.383 -13.895 1.00 0.00 N ATOM 705 CZ ARG A 46 47.206 2.377 -14.305 1.00 0.00 C ATOM 706 NH1 ARG A 46 47.675 3.592 -14.263 1.00 0.00 N ATOM 707 NH2 ARG A 46 46.002 2.152 -14.747 1.00 0.00 N ATOM 0 H ARG A 46 50.487 -0.492 -8.918 1.00 0.00 H new ATOM 0 HA ARG A 46 48.674 1.530 -9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 46 50.089 -0.358 -11.126 1.00 0.00 H new ATOM 0 HB3 ARG A 46 48.881 -1.481 -10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.322 -0.794 -12.847 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.093 -0.208 -11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 46 47.881 2.056 -11.863 1.00 0.00 H new ATOM 0 HD3 ARG A 46 49.475 1.577 -12.413 1.00 0.00 H new ATOM 0 HE ARG A 46 48.193 0.636 -14.542 1.00 0.00 H new ATOM 0 HH11 ARG A 46 48.616 3.763 -13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.101 4.372 -14.584 1.00 0.00 H new ATOM 0 HH21 ARG A 46 45.637 1.200 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 46 45.424 2.928 -15.069 1.00 0.00 H new ATOM 721 N MET A 47 47.379 -0.878 -8.182 1.00 0.00 N ATOM 722 CA MET A 47 46.114 -1.265 -7.478 1.00 0.00 C ATOM 723 C MET A 47 45.816 -0.282 -6.323 1.00 0.00 C ATOM 724 O MET A 47 44.811 -0.398 -5.647 1.00 0.00 O ATOM 725 CB MET A 47 46.385 -2.677 -6.940 1.00 0.00 C ATOM 726 CG MET A 47 45.085 -3.297 -6.412 1.00 0.00 C ATOM 727 SD MET A 47 45.465 -4.815 -5.497 1.00 0.00 S ATOM 728 CE MET A 47 46.386 -4.050 -4.138 1.00 0.00 C ATOM 0 H MET A 47 48.187 -1.462 -7.966 1.00 0.00 H new ATOM 0 HA MET A 47 45.246 -1.238 -8.136 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.801 -3.302 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 47 47.127 -2.635 -6.143 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.569 -2.589 -5.764 1.00 0.00 H new ATOM 0 HG3 MET A 47 44.413 -3.518 -7.241 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.084 -4.503 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.454 -4.205 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 47 46.175 -2.981 -4.112 1.00 0.00 H new ATOM 738 N LEU A 48 46.679 0.683 -6.094 1.00 0.00 N ATOM 739 CA LEU A 48 46.449 1.666 -4.994 1.00 0.00 C ATOM 740 C LEU A 48 46.358 3.085 -5.577 1.00 0.00 C ATOM 741 O LEU A 48 45.391 3.791 -5.363 1.00 0.00 O ATOM 742 CB LEU A 48 47.675 1.513 -4.088 1.00 0.00 C ATOM 743 CG LEU A 48 47.668 2.593 -3.003 1.00 0.00 C ATOM 744 CD1 LEU A 48 46.967 2.060 -1.753 1.00 0.00 C ATOM 745 CD2 LEU A 48 49.111 2.967 -2.658 1.00 0.00 C ATOM 0 H LEU A 48 47.536 0.829 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 48 45.520 1.495 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.675 0.525 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.586 1.589 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 48 47.136 3.473 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 48 46.963 2.830 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 48 45.941 1.788 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 48 47.497 1.181 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 48 49.113 3.736 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 48 49.638 2.085 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 48 49.611 3.346 -3.549 1.00 0.00 H new ATOM 757 N GLY A 49 47.356 3.499 -6.319 1.00 0.00 N ATOM 758 CA GLY A 49 47.336 4.861 -6.932 1.00 0.00 C ATOM 759 C GLY A 49 47.262 4.727 -8.456 1.00 0.00 C ATOM 760 O GLY A 49 46.299 4.214 -8.993 1.00 0.00 O ATOM 0 H GLY A 49 48.188 2.947 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 49 46.480 5.426 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 49 48.231 5.414 -6.647 1.00 0.00 H new ATOM 764 N GLN A 50 48.271 5.185 -9.157 1.00 0.00 N ATOM 765 CA GLN A 50 48.257 5.086 -10.654 1.00 0.00 C ATOM 766 C GLN A 50 49.634 4.690 -11.217 1.00 0.00 C ATOM 767 O GLN A 50 49.861 4.803 -12.405 1.00 0.00 O ATOM 768 CB GLN A 50 47.881 6.491 -11.135 1.00 0.00 C ATOM 769 CG GLN A 50 46.373 6.706 -10.976 1.00 0.00 C ATOM 770 CD GLN A 50 46.119 7.946 -10.117 1.00 0.00 C ATOM 771 OE1 GLN A 50 46.194 7.888 -8.907 1.00 0.00 O ATOM 772 NE2 GLN A 50 45.819 9.075 -10.696 1.00 0.00 N ATOM 0 H GLN A 50 49.103 5.622 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 50 47.561 4.318 -10.991 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.427 7.240 -10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.168 6.617 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN A 50 45.908 6.827 -11.954 1.00 0.00 H new ATOM 0 HG3 GLN A 50 45.918 5.831 -10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 50 45.756 9.126 -11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 50 45.648 9.908 -10.132 1.00 0.00 H new ATOM 781 N ASN A 51 50.549 4.227 -10.393 1.00 0.00 N ATOM 782 CA ASN A 51 51.903 3.830 -10.916 1.00 0.00 C ATOM 783 C ASN A 51 51.812 2.452 -11.592 1.00 0.00 C ATOM 784 O ASN A 51 51.617 1.451 -10.928 1.00 0.00 O ATOM 785 CB ASN A 51 52.824 3.779 -9.691 1.00 0.00 C ATOM 786 CG ASN A 51 52.676 5.065 -8.872 1.00 0.00 C ATOM 787 OD1 ASN A 51 51.819 5.156 -8.016 1.00 0.00 O ATOM 788 ND2 ASN A 51 53.473 6.070 -9.098 1.00 0.00 N ATOM 0 H ASN A 51 50.420 4.107 -9.388 1.00 0.00 H new ATOM 0 HA ASN A 51 52.280 4.531 -11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 51 52.576 2.915 -9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 51 53.860 3.657 -10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 51 53.376 6.929 -8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 51 54.194 5.998 -9.816 1.00 0.00 H new ATOM 795 N PRO A 52 51.920 2.454 -12.901 1.00 0.00 N ATOM 796 CA PRO A 52 51.808 1.209 -13.693 1.00 0.00 C ATOM 797 C PRO A 52 53.177 0.551 -13.961 1.00 0.00 C ATOM 798 O PRO A 52 53.495 -0.478 -13.397 1.00 0.00 O ATOM 799 CB PRO A 52 51.179 1.713 -14.993 1.00 0.00 C ATOM 800 CG PRO A 52 51.544 3.174 -15.093 1.00 0.00 C ATOM 801 CD PRO A 52 52.152 3.601 -13.775 1.00 0.00 C ATOM 0 HA PRO A 52 51.234 0.435 -13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 52 51.557 1.157 -15.851 1.00 0.00 H new ATOM 0 HB3 PRO A 52 50.097 1.581 -14.980 1.00 0.00 H new ATOM 0 HG2 PRO A 52 52.251 3.334 -15.907 1.00 0.00 H new ATOM 0 HG3 PRO A 52 50.660 3.772 -15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.215 3.819 -13.876 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.677 4.502 -13.388 1.00 0.00 H new ATOM 809 N THR A 53 53.968 1.119 -14.841 1.00 0.00 N ATOM 810 CA THR A 53 55.296 0.511 -15.177 1.00 0.00 C ATOM 811 C THR A 53 56.268 0.588 -13.993 1.00 0.00 C ATOM 812 O THR A 53 56.297 1.568 -13.272 1.00 0.00 O ATOM 813 CB THR A 53 55.833 1.327 -16.360 1.00 0.00 C ATOM 814 OG1 THR A 53 55.646 2.715 -16.113 1.00 0.00 O ATOM 815 CG2 THR A 53 55.088 0.934 -17.637 1.00 0.00 C ATOM 0 H THR A 53 53.750 1.980 -15.343 1.00 0.00 H new ATOM 0 HA THR A 53 55.191 -0.547 -15.418 1.00 0.00 H new ATOM 0 HB THR A 53 56.897 1.121 -16.481 1.00 0.00 H new ATOM 0 HG1 THR A 53 55.992 3.232 -16.870 1.00 0.00 H new ATOM 0 HG21 THR A 53 55.472 1.515 -18.476 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.237 -0.128 -17.833 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.024 1.134 -17.514 1.00 0.00 H new ATOM 823 N PRO A 54 57.047 -0.460 -13.849 1.00 0.00 N ATOM 824 CA PRO A 54 58.054 -0.537 -12.752 1.00 0.00 C ATOM 825 C PRO A 54 59.172 0.496 -12.961 1.00 0.00 C ATOM 826 O PRO A 54 59.714 1.027 -12.009 1.00 0.00 O ATOM 827 CB PRO A 54 58.593 -1.963 -12.868 1.00 0.00 C ATOM 828 CG PRO A 54 58.345 -2.347 -14.289 1.00 0.00 C ATOM 829 CD PRO A 54 57.067 -1.666 -14.689 1.00 0.00 C ATOM 0 HA PRO A 54 57.634 -0.321 -11.770 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.655 -2.006 -12.626 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.082 -2.637 -12.181 1.00 0.00 H new ATOM 0 HG2 PRO A 54 59.170 -2.032 -14.927 1.00 0.00 H new ATOM 0 HG3 PRO A 54 58.258 -3.429 -14.391 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.059 -1.417 -15.750 1.00 0.00 H new ATOM 0 HD3 PRO A 54 56.199 -2.299 -14.504 1.00 0.00 H new ATOM 837 N GLU A 55 59.513 0.791 -14.195 1.00 0.00 N ATOM 838 CA GLU A 55 60.591 1.801 -14.466 1.00 0.00 C ATOM 839 C GLU A 55 60.222 3.147 -13.826 1.00 0.00 C ATOM 840 O GLU A 55 61.080 3.895 -13.396 1.00 0.00 O ATOM 841 CB GLU A 55 60.653 1.945 -15.991 1.00 0.00 C ATOM 842 CG GLU A 55 60.953 0.588 -16.641 1.00 0.00 C ATOM 843 CD GLU A 55 59.744 0.139 -17.463 1.00 0.00 C ATOM 844 OE1 GLU A 55 58.781 -0.310 -16.865 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.799 0.256 -18.675 1.00 0.00 O ATOM 0 H GLU A 55 59.092 0.377 -15.027 1.00 0.00 H new ATOM 0 HA GLU A 55 61.550 1.490 -14.051 1.00 0.00 H new ATOM 0 HB2 GLU A 55 59.706 2.334 -16.365 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.424 2.665 -16.264 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.833 0.665 -17.280 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.180 -0.152 -15.874 1.00 0.00 H new ATOM 852 N GLU A 56 58.947 3.451 -13.754 1.00 0.00 N ATOM 853 CA GLU A 56 58.507 4.739 -13.132 1.00 0.00 C ATOM 854 C GLU A 56 58.907 4.774 -11.651 1.00 0.00 C ATOM 855 O GLU A 56 59.313 5.799 -11.134 1.00 0.00 O ATOM 856 CB GLU A 56 56.982 4.750 -13.280 1.00 0.00 C ATOM 857 CG GLU A 56 56.455 6.177 -13.088 1.00 0.00 C ATOM 858 CD GLU A 56 55.405 6.194 -11.976 1.00 0.00 C ATOM 859 OE1 GLU A 56 54.342 5.629 -12.179 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.680 6.772 -10.938 1.00 0.00 O ATOM 0 H GLU A 56 58.191 2.860 -14.100 1.00 0.00 H new ATOM 0 HA GLU A 56 58.967 5.607 -13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 56 56.700 4.377 -14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 56 56.531 4.083 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 56 57.277 6.847 -12.836 1.00 0.00 H new ATOM 0 HG3 GLU A 56 56.020 6.542 -14.018 1.00 0.00 H new ATOM 867 N LEU A 57 58.805 3.659 -10.966 1.00 0.00 N ATOM 868 CA LEU A 57 59.187 3.625 -9.521 1.00 0.00 C ATOM 869 C LEU A 57 60.690 3.326 -9.363 1.00 0.00 C ATOM 870 O LEU A 57 61.242 3.478 -8.290 1.00 0.00 O ATOM 871 CB LEU A 57 58.350 2.496 -8.899 1.00 0.00 C ATOM 872 CG LEU A 57 56.837 2.743 -9.081 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.530 4.241 -9.176 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.347 2.043 -10.353 1.00 0.00 C ATOM 0 H LEU A 57 58.474 2.773 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 57 59.001 4.583 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 57 58.622 1.546 -9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 58.581 2.414 -7.837 1.00 0.00 H new ATOM 0 HG LEU A 57 56.320 2.337 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.457 4.385 -9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 57 56.857 4.738 -8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.058 4.667 -10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.279 2.220 -10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.883 2.439 -11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.530 0.972 -10.272 1.00 0.00 H new ATOM 886 N GLN A 58 61.354 2.903 -10.418 1.00 0.00 N ATOM 887 CA GLN A 58 62.822 2.600 -10.321 1.00 0.00 C ATOM 888 C GLN A 58 63.593 3.826 -9.808 1.00 0.00 C ATOM 889 O GLN A 58 64.516 3.703 -9.029 1.00 0.00 O ATOM 890 CB GLN A 58 63.261 2.246 -11.746 1.00 0.00 C ATOM 891 CG GLN A 58 63.563 0.748 -11.830 1.00 0.00 C ATOM 892 CD GLN A 58 64.849 0.525 -12.629 1.00 0.00 C ATOM 893 OE1 GLN A 58 64.808 0.042 -13.741 1.00 0.00 O ATOM 894 NE2 GLN A 58 65.996 0.857 -12.105 1.00 0.00 N ATOM 0 H GLN A 58 60.943 2.755 -11.340 1.00 0.00 H new ATOM 0 HA GLN A 58 63.022 1.787 -9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.477 2.510 -12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.145 2.822 -12.019 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.669 0.332 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 58 62.733 0.226 -12.306 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.031 1.263 -11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.858 0.711 -12.630 1.00 0.00 H new ATOM 903 N GLU A 59 63.213 5.009 -10.223 1.00 0.00 N ATOM 904 CA GLU A 59 63.919 6.234 -9.728 1.00 0.00 C ATOM 905 C GLU A 59 63.814 6.301 -8.195 1.00 0.00 C ATOM 906 O GLU A 59 64.711 6.772 -7.522 1.00 0.00 O ATOM 907 CB GLU A 59 63.187 7.414 -10.378 1.00 0.00 C ATOM 908 CG GLU A 59 64.184 8.538 -10.681 1.00 0.00 C ATOM 909 CD GLU A 59 64.176 9.558 -9.539 1.00 0.00 C ATOM 910 OE1 GLU A 59 63.238 10.335 -9.468 1.00 0.00 O ATOM 911 OE2 GLU A 59 65.109 9.546 -8.753 1.00 0.00 O ATOM 0 H GLU A 59 62.450 5.180 -10.878 1.00 0.00 H new ATOM 0 HA GLU A 59 64.979 6.239 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 59 62.699 7.090 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 59 62.404 7.779 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 59 65.185 8.125 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 59 63.922 9.027 -11.619 1.00 0.00 H new ATOM 918 N MET A 60 62.726 5.809 -7.645 1.00 0.00 N ATOM 919 CA MET A 60 62.556 5.816 -6.160 1.00 0.00 C ATOM 920 C MET A 60 63.368 4.674 -5.526 1.00 0.00 C ATOM 921 O MET A 60 64.083 4.881 -4.565 1.00 0.00 O ATOM 922 CB MET A 60 61.055 5.607 -5.921 1.00 0.00 C ATOM 923 CG MET A 60 60.308 6.920 -6.169 1.00 0.00 C ATOM 924 SD MET A 60 58.759 6.915 -5.233 1.00 0.00 S ATOM 925 CE MET A 60 57.831 5.816 -6.330 1.00 0.00 C ATOM 0 H MET A 60 61.948 5.403 -8.165 1.00 0.00 H new ATOM 0 HA MET A 60 62.910 6.745 -5.713 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.676 4.830 -6.585 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.883 5.266 -4.900 1.00 0.00 H new ATOM 0 HG2 MET A 60 60.926 7.766 -5.867 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.103 7.039 -7.233 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.850 5.615 -5.899 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.709 6.291 -7.303 1.00 0.00 H new ATOM 0 HE3 MET A 60 58.374 4.878 -6.450 1.00 0.00 H new ATOM 935 N ILE A 61 63.269 3.473 -6.057 1.00 0.00 N ATOM 936 CA ILE A 61 64.046 2.328 -5.475 1.00 0.00 C ATOM 937 C ILE A 61 65.558 2.594 -5.587 1.00 0.00 C ATOM 938 O ILE A 61 66.299 2.342 -4.660 1.00 0.00 O ATOM 939 CB ILE A 61 63.623 1.075 -6.275 1.00 0.00 C ATOM 940 CG1 ILE A 61 64.056 -0.185 -5.519 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.271 1.068 -7.661 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.172 -1.364 -5.946 1.00 0.00 C ATOM 0 H ILE A 61 62.688 3.239 -6.862 1.00 0.00 H new ATOM 0 HA ILE A 61 63.839 2.192 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 61 62.539 1.093 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.103 -0.406 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.973 -0.024 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 61 63.958 0.177 -8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 61 63.961 1.956 -8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.356 1.066 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.479 -2.262 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.131 -1.141 -5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.278 -1.529 -7.018 1.00 0.00 H new ATOM 954 N ASP A 62 66.015 3.119 -6.702 1.00 0.00 N ATOM 955 CA ASP A 62 67.477 3.413 -6.857 1.00 0.00 C ATOM 956 C ASP A 62 67.907 4.498 -5.860 1.00 0.00 C ATOM 957 O ASP A 62 68.995 4.456 -5.316 1.00 0.00 O ATOM 958 CB ASP A 62 67.638 3.901 -8.301 1.00 0.00 C ATOM 959 CG ASP A 62 67.837 2.701 -9.230 1.00 0.00 C ATOM 960 OD1 ASP A 62 66.873 1.992 -9.470 1.00 0.00 O ATOM 961 OD2 ASP A 62 68.952 2.510 -9.685 1.00 0.00 O ATOM 0 H ASP A 62 65.439 3.356 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 62 68.098 2.540 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.757 4.466 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.491 4.576 -8.374 1.00 0.00 H new ATOM 966 N GLU A 63 67.050 5.460 -5.606 1.00 0.00 N ATOM 967 CA GLU A 63 67.388 6.546 -4.631 1.00 0.00 C ATOM 968 C GLU A 63 67.591 5.959 -3.221 1.00 0.00 C ATOM 969 O GLU A 63 68.335 6.493 -2.419 1.00 0.00 O ATOM 970 CB GLU A 63 66.175 7.483 -4.660 1.00 0.00 C ATOM 971 CG GLU A 63 66.535 8.831 -4.022 1.00 0.00 C ATOM 972 CD GLU A 63 65.326 9.372 -3.253 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.381 9.800 -3.896 1.00 0.00 O ATOM 974 OE2 GLU A 63 65.365 9.347 -2.035 1.00 0.00 O ATOM 0 H GLU A 63 66.128 5.539 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 63 68.313 7.063 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.847 7.635 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.342 7.029 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 63 67.384 8.711 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.837 9.541 -4.792 1.00 0.00 H new ATOM 981 N VAL A 64 66.934 4.861 -2.915 1.00 0.00 N ATOM 982 CA VAL A 64 67.089 4.236 -1.562 1.00 0.00 C ATOM 983 C VAL A 64 67.753 2.847 -1.679 1.00 0.00 C ATOM 984 O VAL A 64 67.565 1.993 -0.833 1.00 0.00 O ATOM 985 CB VAL A 64 65.658 4.103 -1.006 1.00 0.00 C ATOM 986 CG1 VAL A 64 65.712 3.850 0.503 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.864 5.391 -1.263 1.00 0.00 C ATOM 0 H VAL A 64 66.298 4.372 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 64 67.724 4.836 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 64 65.168 3.269 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.698 3.757 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 64 66.262 2.929 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 64 66.214 4.684 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.855 5.282 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 64 65.360 6.228 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 64 64.812 5.579 -2.335 1.00 0.00 H new ATOM 997 N ASP A 65 68.529 2.614 -2.715 1.00 0.00 N ATOM 998 CA ASP A 65 69.196 1.280 -2.871 1.00 0.00 C ATOM 999 C ASP A 65 70.713 1.408 -2.664 1.00 0.00 C ATOM 1000 O ASP A 65 71.239 0.995 -1.649 1.00 0.00 O ATOM 1001 CB ASP A 65 68.872 0.829 -4.305 1.00 0.00 C ATOM 1002 CG ASP A 65 69.304 -0.626 -4.511 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.495 -1.502 -4.270 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.433 -0.842 -4.918 1.00 0.00 O ATOM 0 H ASP A 65 68.728 3.287 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 65 68.844 0.558 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.803 0.929 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.383 1.473 -5.021 1.00 0.00 H new ATOM 1009 N GLU A 66 71.415 1.971 -3.625 1.00 0.00 N ATOM 1010 CA GLU A 66 72.904 2.124 -3.511 1.00 0.00 C ATOM 1011 C GLU A 66 73.583 0.754 -3.309 1.00 0.00 C ATOM 1012 O GLU A 66 74.684 0.669 -2.798 1.00 0.00 O ATOM 1013 CB GLU A 66 73.129 3.032 -2.295 1.00 0.00 C ATOM 1014 CG GLU A 66 74.326 3.952 -2.560 1.00 0.00 C ATOM 1015 CD GLU A 66 74.595 4.821 -1.330 1.00 0.00 C ATOM 1016 OE1 GLU A 66 75.258 4.343 -0.424 1.00 0.00 O ATOM 1017 OE2 GLU A 66 74.139 5.952 -1.318 1.00 0.00 O ATOM 0 H GLU A 66 71.015 2.334 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 66 73.337 2.550 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 66 72.236 3.626 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.310 2.429 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.208 3.357 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.126 4.583 -3.426 1.00 0.00 H new ATOM 1024 N ASP A 67 72.938 -0.313 -3.718 1.00 0.00 N ATOM 1025 CA ASP A 67 73.543 -1.672 -3.559 1.00 0.00 C ATOM 1026 C ASP A 67 73.905 -2.276 -4.926 1.00 0.00 C ATOM 1027 O ASP A 67 74.303 -3.422 -5.009 1.00 0.00 O ATOM 1028 CB ASP A 67 72.451 -2.517 -2.890 1.00 0.00 C ATOM 1029 CG ASP A 67 72.235 -2.066 -1.445 1.00 0.00 C ATOM 1030 OD1 ASP A 67 73.212 -1.922 -0.730 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.086 -1.890 -1.077 1.00 0.00 O ATOM 0 H ASP A 67 72.017 -0.300 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 67 74.463 -1.635 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 67 71.519 -2.426 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.734 -3.569 -2.910 1.00 0.00 H new ATOM 1036 N GLY A 68 73.754 -1.530 -5.998 1.00 0.00 N ATOM 1037 CA GLY A 68 74.072 -2.088 -7.348 1.00 0.00 C ATOM 1038 C GLY A 68 73.118 -3.250 -7.636 1.00 0.00 C ATOM 1039 O GLY A 68 73.502 -4.256 -8.201 1.00 0.00 O ATOM 0 H GLY A 68 73.426 -0.564 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 68 73.968 -1.316 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.106 -2.431 -7.381 1.00 0.00 H new ATOM 1043 N SER A 69 71.877 -3.120 -7.230 1.00 0.00 N ATOM 1044 CA SER A 69 70.885 -4.216 -7.453 1.00 0.00 C ATOM 1045 C SER A 69 69.526 -3.641 -7.877 1.00 0.00 C ATOM 1046 O SER A 69 68.967 -4.038 -8.881 1.00 0.00 O ATOM 1047 CB SER A 69 70.776 -4.934 -6.100 1.00 0.00 C ATOM 1048 OG SER A 69 70.379 -4.009 -5.085 1.00 0.00 O ATOM 0 H SER A 69 71.509 -2.298 -6.752 1.00 0.00 H new ATOM 0 HA SER A 69 71.194 -4.892 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.051 -5.746 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.734 -5.383 -5.839 1.00 0.00 H new ATOM 0 HG SER A 69 69.496 -4.260 -4.741 1.00 0.00 H new ATOM 1054 N GLY A 70 68.986 -2.724 -7.114 1.00 0.00 N ATOM 1055 CA GLY A 70 67.655 -2.136 -7.466 1.00 0.00 C ATOM 1056 C GLY A 70 66.561 -2.972 -6.803 1.00 0.00 C ATOM 1057 O GLY A 70 65.573 -3.325 -7.417 1.00 0.00 O ATOM 0 H GLY A 70 69.409 -2.356 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 70 67.597 -1.101 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 70 67.520 -2.126 -8.548 1.00 0.00 H new ATOM 1061 N THR A 71 66.749 -3.299 -5.552 1.00 0.00 N ATOM 1062 CA THR A 71 65.750 -4.130 -4.816 1.00 0.00 C ATOM 1063 C THR A 71 65.594 -3.614 -3.383 1.00 0.00 C ATOM 1064 O THR A 71 66.563 -3.485 -2.659 1.00 0.00 O ATOM 1065 CB THR A 71 66.340 -5.547 -4.803 1.00 0.00 C ATOM 1066 OG1 THR A 71 67.764 -5.482 -4.740 1.00 0.00 O ATOM 1067 CG2 THR A 71 65.909 -6.299 -6.067 1.00 0.00 C ATOM 0 H THR A 71 67.562 -3.022 -5.002 1.00 0.00 H new ATOM 0 HA THR A 71 64.766 -4.099 -5.283 1.00 0.00 H new ATOM 0 HB THR A 71 65.971 -6.078 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 71 68.133 -6.390 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 71 66.330 -7.304 -6.054 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.821 -6.362 -6.100 1.00 0.00 H new ATOM 0 HG23 THR A 71 66.269 -5.767 -6.948 1.00 0.00 H new ATOM 1075 N VAL A 72 64.386 -3.323 -2.969 1.00 0.00 N ATOM 1076 CA VAL A 72 64.172 -2.814 -1.578 1.00 0.00 C ATOM 1077 C VAL A 72 64.162 -3.977 -0.573 1.00 0.00 C ATOM 1078 O VAL A 72 63.206 -4.726 -0.484 1.00 0.00 O ATOM 1079 CB VAL A 72 62.809 -2.105 -1.610 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.370 -1.754 -0.185 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.923 -0.816 -2.427 1.00 0.00 C ATOM 0 H VAL A 72 63.540 -3.415 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 72 64.968 -2.140 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 72 62.074 -2.769 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.403 -1.252 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.286 -2.667 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.108 -1.094 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.956 -0.313 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.663 -0.159 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.231 -1.056 -3.445 1.00 0.00 H new ATOM 1091 N ASP A 73 65.216 -4.123 0.191 1.00 0.00 N ATOM 1092 CA ASP A 73 65.271 -5.222 1.203 1.00 0.00 C ATOM 1093 C ASP A 73 64.591 -4.767 2.506 1.00 0.00 C ATOM 1094 O ASP A 73 63.850 -3.803 2.516 1.00 0.00 O ATOM 1095 CB ASP A 73 66.765 -5.484 1.420 1.00 0.00 C ATOM 1096 CG ASP A 73 66.982 -6.960 1.754 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.023 -7.756 0.831 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.097 -7.269 2.928 1.00 0.00 O ATOM 0 H ASP A 73 66.043 -3.527 0.157 1.00 0.00 H new ATOM 0 HA ASP A 73 64.751 -6.123 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 73 67.326 -5.217 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 73 67.141 -4.858 2.229 1.00 0.00 H new ATOM 1103 N PHE A 74 64.834 -5.446 3.602 1.00 0.00 N ATOM 1104 CA PHE A 74 64.192 -5.040 4.894 1.00 0.00 C ATOM 1105 C PHE A 74 64.695 -3.656 5.326 1.00 0.00 C ATOM 1106 O PHE A 74 63.912 -2.771 5.617 1.00 0.00 O ATOM 1107 CB PHE A 74 64.602 -6.114 5.907 1.00 0.00 C ATOM 1108 CG PHE A 74 63.842 -5.912 7.199 1.00 0.00 C ATOM 1109 CD1 PHE A 74 62.442 -5.832 7.186 1.00 0.00 C ATOM 1110 CD2 PHE A 74 64.535 -5.805 8.410 1.00 0.00 C ATOM 1111 CE1 PHE A 74 61.740 -5.644 8.383 1.00 0.00 C ATOM 1112 CE2 PHE A 74 63.832 -5.618 9.605 1.00 0.00 C ATOM 1113 CZ PHE A 74 62.435 -5.538 9.592 1.00 0.00 C ATOM 0 H PHE A 74 65.446 -6.260 3.659 1.00 0.00 H new ATOM 0 HA PHE A 74 63.108 -4.966 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 74 64.396 -7.106 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 74 65.675 -6.062 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 74 61.905 -5.915 6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 74 65.613 -5.867 8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 74 60.662 -5.581 8.373 1.00 0.00 H new ATOM 0 HE2 PHE A 74 64.368 -5.535 10.539 1.00 0.00 H new ATOM 0 HZ PHE A 74 61.894 -5.394 10.515 1.00 0.00 H new ATOM 1123 N ASP A 75 65.992 -3.462 5.356 1.00 0.00 N ATOM 1124 CA ASP A 75 66.545 -2.129 5.754 1.00 0.00 C ATOM 1125 C ASP A 75 66.044 -1.044 4.788 1.00 0.00 C ATOM 1126 O ASP A 75 65.544 -0.016 5.204 1.00 0.00 O ATOM 1127 CB ASP A 75 68.068 -2.282 5.654 1.00 0.00 C ATOM 1128 CG ASP A 75 68.748 -0.966 6.043 1.00 0.00 C ATOM 1129 OD1 ASP A 75 68.906 -0.727 7.230 1.00 0.00 O ATOM 1130 OD2 ASP A 75 69.102 -0.217 5.148 1.00 0.00 O ATOM 0 H ASP A 75 66.690 -4.168 5.122 1.00 0.00 H new ATOM 0 HA ASP A 75 66.234 -1.832 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 75 68.406 -3.084 6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 75 68.349 -2.561 4.638 1.00 0.00 H new ATOM 1135 N GLU A 76 66.166 -1.275 3.502 1.00 0.00 N ATOM 1136 CA GLU A 76 65.692 -0.266 2.502 1.00 0.00 C ATOM 1137 C GLU A 76 64.183 -0.024 2.657 1.00 0.00 C ATOM 1138 O GLU A 76 63.714 1.091 2.531 1.00 0.00 O ATOM 1139 CB GLU A 76 66.006 -0.878 1.133 1.00 0.00 C ATOM 1140 CG GLU A 76 67.525 -0.889 0.912 1.00 0.00 C ATOM 1141 CD GLU A 76 67.870 -1.794 -0.272 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.824 -1.317 -1.390 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.174 -2.953 -0.044 1.00 0.00 O ATOM 0 H GLU A 76 66.574 -2.120 3.102 1.00 0.00 H new ATOM 0 HA GLU A 76 66.178 0.700 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.613 -1.893 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.518 -0.304 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.882 0.124 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.030 -1.243 1.811 1.00 0.00 H new ATOM 1150 N PHE A 77 63.422 -1.057 2.940 1.00 0.00 N ATOM 1151 CA PHE A 77 61.944 -0.884 3.116 1.00 0.00 C ATOM 1152 C PHE A 77 61.659 0.100 4.262 1.00 0.00 C ATOM 1153 O PHE A 77 60.877 1.018 4.115 1.00 0.00 O ATOM 1154 CB PHE A 77 61.411 -2.280 3.458 1.00 0.00 C ATOM 1155 CG PHE A 77 59.903 -2.298 3.343 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.292 -2.479 2.095 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.115 -2.140 4.489 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.894 -2.500 1.995 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.719 -2.163 4.390 1.00 0.00 C ATOM 1160 CZ PHE A 77 57.108 -2.343 3.144 1.00 0.00 C ATOM 0 H PHE A 77 63.761 -2.012 3.056 1.00 0.00 H new ATOM 0 HA PHE A 77 61.468 -0.479 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.845 -3.019 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.711 -2.555 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.898 -2.602 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.585 -2.000 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.423 -2.637 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.113 -2.042 5.276 1.00 0.00 H new ATOM 0 HZ PHE A 77 56.031 -2.361 3.068 1.00 0.00 H new ATOM 1170 N LEU A 78 62.296 -0.082 5.397 1.00 0.00 N ATOM 1171 CA LEU A 78 62.065 0.853 6.548 1.00 0.00 C ATOM 1172 C LEU A 78 62.603 2.249 6.207 1.00 0.00 C ATOM 1173 O LEU A 78 62.003 3.249 6.552 1.00 0.00 O ATOM 1174 CB LEU A 78 62.829 0.254 7.738 1.00 0.00 C ATOM 1175 CG LEU A 78 62.289 -1.145 8.054 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.351 -1.944 8.811 1.00 0.00 C ATOM 1177 CD2 LEU A 78 61.033 -1.027 8.920 1.00 0.00 C ATOM 0 H LEU A 78 62.962 -0.833 5.576 1.00 0.00 H new ATOM 0 HA LEU A 78 61.004 0.962 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.893 0.199 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.725 0.899 8.610 1.00 0.00 H new ATOM 0 HG LEU A 78 62.043 -1.655 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.966 -2.939 9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 78 64.247 -2.031 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.597 -1.432 9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.650 -2.023 9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.279 -0.515 9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.273 -0.459 8.384 1.00 0.00 H new ATOM 1189 N VAL A 79 63.722 2.322 5.519 1.00 0.00 N ATOM 1190 CA VAL A 79 64.296 3.653 5.135 1.00 0.00 C ATOM 1191 C VAL A 79 63.290 4.430 4.269 1.00 0.00 C ATOM 1192 O VAL A 79 63.167 5.635 4.379 1.00 0.00 O ATOM 1193 CB VAL A 79 65.565 3.328 4.334 1.00 0.00 C ATOM 1194 CG1 VAL A 79 66.052 4.578 3.599 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.666 2.847 5.283 1.00 0.00 C ATOM 0 H VAL A 79 64.262 1.515 5.207 1.00 0.00 H new ATOM 0 HA VAL A 79 64.516 4.275 6.003 1.00 0.00 H new ATOM 0 HB VAL A 79 65.334 2.546 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.953 4.340 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.276 4.925 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 79 66.275 5.362 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.565 2.617 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.888 3.629 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 79 66.330 1.951 5.806 1.00 0.00 H new ATOM 1205 N MET A 80 62.565 3.745 3.418 1.00 0.00 N ATOM 1206 CA MET A 80 61.557 4.437 2.556 1.00 0.00 C ATOM 1207 C MET A 80 60.383 4.924 3.415 1.00 0.00 C ATOM 1208 O MET A 80 59.875 6.013 3.223 1.00 0.00 O ATOM 1209 CB MET A 80 61.087 3.378 1.555 1.00 0.00 C ATOM 1210 CG MET A 80 61.258 3.900 0.125 1.00 0.00 C ATOM 1211 SD MET A 80 61.680 2.523 -0.973 1.00 0.00 S ATOM 1212 CE MET A 80 60.397 1.376 -0.411 1.00 0.00 C ATOM 0 H MET A 80 62.628 2.736 3.283 1.00 0.00 H new ATOM 0 HA MET A 80 61.973 5.310 2.053 1.00 0.00 H new ATOM 0 HB2 MET A 80 61.660 2.460 1.687 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.041 3.130 1.738 1.00 0.00 H new ATOM 0 HG2 MET A 80 60.338 4.379 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 80 62.041 4.657 0.094 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.184 0.653 -1.199 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.743 0.851 0.479 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.490 1.932 -0.175 1.00 0.00 H new ATOM 1222 N MET A 81 59.956 4.124 4.366 1.00 0.00 N ATOM 1223 CA MET A 81 58.822 4.539 5.249 1.00 0.00 C ATOM 1224 C MET A 81 59.210 5.789 6.047 1.00 0.00 C ATOM 1225 O MET A 81 58.473 6.757 6.089 1.00 0.00 O ATOM 1226 CB MET A 81 58.576 3.348 6.183 1.00 0.00 C ATOM 1227 CG MET A 81 57.370 2.549 5.685 1.00 0.00 C ATOM 1228 SD MET A 81 57.818 1.661 4.173 1.00 0.00 S ATOM 1229 CE MET A 81 56.145 1.482 3.511 1.00 0.00 C ATOM 0 H MET A 81 60.345 3.203 4.567 1.00 0.00 H new ATOM 0 HA MET A 81 57.926 4.790 4.681 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.459 2.710 6.217 1.00 0.00 H new ATOM 0 HB3 MET A 81 58.398 3.700 7.199 1.00 0.00 H new ATOM 0 HG2 MET A 81 57.046 1.844 6.451 1.00 0.00 H new ATOM 0 HG3 MET A 81 56.532 3.218 5.492 1.00 0.00 H new ATOM 0 HE1 MET A 81 56.185 0.951 2.560 1.00 0.00 H new ATOM 0 HE2 MET A 81 55.533 0.919 4.216 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.707 2.468 3.357 1.00 0.00 H new ATOM 1239 N VAL A 82 60.369 5.788 6.664 1.00 0.00 N ATOM 1240 CA VAL A 82 60.799 6.998 7.438 1.00 0.00 C ATOM 1241 C VAL A 82 61.059 8.168 6.474 1.00 0.00 C ATOM 1242 O VAL A 82 60.897 9.319 6.834 1.00 0.00 O ATOM 1243 CB VAL A 82 62.082 6.607 8.198 1.00 0.00 C ATOM 1244 CG1 VAL A 82 61.781 5.455 9.160 1.00 0.00 C ATOM 1245 CG2 VAL A 82 63.179 6.173 7.220 1.00 0.00 C ATOM 0 H VAL A 82 61.030 5.011 6.666 1.00 0.00 H new ATOM 0 HA VAL A 82 60.029 7.321 8.138 1.00 0.00 H new ATOM 0 HB VAL A 82 62.430 7.476 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.690 5.181 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 82 61.019 5.767 9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.419 4.595 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 82 64.076 5.901 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.834 5.314 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 82 63.408 6.995 6.542 1.00 0.00 H new ATOM 1255 N ARG A 83 61.438 7.881 5.245 1.00 0.00 N ATOM 1256 CA ARG A 83 61.679 8.978 4.255 1.00 0.00 C ATOM 1257 C ARG A 83 60.379 9.762 4.032 1.00 0.00 C ATOM 1258 O ARG A 83 60.387 10.975 3.941 1.00 0.00 O ATOM 1259 CB ARG A 83 62.125 8.279 2.964 1.00 0.00 C ATOM 1260 CG ARG A 83 63.642 8.412 2.811 1.00 0.00 C ATOM 1261 CD ARG A 83 64.037 8.191 1.349 1.00 0.00 C ATOM 1262 NE ARG A 83 65.411 8.762 1.236 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.430 7.980 1.022 1.00 0.00 C ATOM 1264 NH1 ARG A 83 66.952 7.310 2.008 1.00 0.00 N ATOM 1265 NH2 ARG A 83 66.925 7.869 -0.178 1.00 0.00 N ATOM 0 H ARG A 83 61.589 6.937 4.890 1.00 0.00 H new ATOM 0 HA ARG A 83 62.432 9.689 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.842 7.227 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.622 8.722 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.965 9.400 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 83 64.146 7.685 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.026 7.132 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.344 8.690 0.672 1.00 0.00 H new ATOM 0 HE ARG A 83 65.552 9.768 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 83 66.563 7.398 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 83 67.750 6.697 1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 83 66.514 8.395 -0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.723 7.257 -0.346 1.00 0.00 H new ATOM 1279 N CYS A 84 59.259 9.074 3.966 1.00 0.00 N ATOM 1280 CA CYS A 84 57.949 9.775 3.775 1.00 0.00 C ATOM 1281 C CYS A 84 57.671 10.706 4.969 1.00 0.00 C ATOM 1282 O CYS A 84 57.117 11.777 4.813 1.00 0.00 O ATOM 1283 CB CYS A 84 56.902 8.657 3.702 1.00 0.00 C ATOM 1284 SG CYS A 84 55.423 9.265 2.853 1.00 0.00 S ATOM 0 H CYS A 84 59.198 8.058 4.036 1.00 0.00 H new ATOM 0 HA CYS A 84 57.937 10.395 2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.310 7.797 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 84 56.645 8.320 4.706 1.00 0.00 H new ATOM 0 HG CYS A 84 54.729 8.257 2.415 1.00 0.00 H new ATOM 1290 N MET A 85 58.063 10.305 6.156 1.00 0.00 N ATOM 1291 CA MET A 85 57.839 11.166 7.362 1.00 0.00 C ATOM 1292 C MET A 85 58.845 12.327 7.384 1.00 0.00 C ATOM 1293 O MET A 85 58.526 13.418 7.813 1.00 0.00 O ATOM 1294 CB MET A 85 58.073 10.244 8.564 1.00 0.00 C ATOM 1295 CG MET A 85 56.734 9.893 9.217 1.00 0.00 C ATOM 1296 SD MET A 85 56.620 8.099 9.442 1.00 0.00 S ATOM 1297 CE MET A 85 58.111 7.887 10.447 1.00 0.00 C ATOM 0 H MET A 85 58.529 9.417 6.342 1.00 0.00 H new ATOM 0 HA MET A 85 56.841 11.604 7.369 1.00 0.00 H new ATOM 0 HB2 MET A 85 58.581 9.335 8.243 1.00 0.00 H new ATOM 0 HB3 MET A 85 58.724 10.734 9.288 1.00 0.00 H new ATOM 0 HG2 MET A 85 56.644 10.397 10.179 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.911 10.245 8.595 1.00 0.00 H new ATOM 0 HE1 MET A 85 58.817 7.244 9.920 1.00 0.00 H new ATOM 0 HE2 MET A 85 58.570 8.859 10.627 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.845 7.429 11.400 1.00 0.00 H new ATOM 1475 N SER B 149 51.659 6.855 1.449 1.00 0.00 N ATOM 1476 CA SER B 149 51.936 6.742 2.916 1.00 0.00 C ATOM 1477 C SER B 149 52.199 5.284 3.314 1.00 0.00 C ATOM 1478 O SER B 149 51.901 4.361 2.576 1.00 0.00 O ATOM 1479 CB SER B 149 50.671 7.263 3.606 1.00 0.00 C ATOM 1480 OG SER B 149 49.655 6.266 3.550 1.00 0.00 O ATOM 0 HA SER B 149 52.823 7.307 3.201 1.00 0.00 H new ATOM 0 HB2 SER B 149 50.888 7.518 4.643 1.00 0.00 H new ATOM 0 HB3 SER B 149 50.327 8.175 3.119 1.00 0.00 H new ATOM 0 HG SER B 149 48.846 6.598 3.993 1.00 0.00 H new ATOM 1486 N ALA B 150 52.747 5.076 4.485 1.00 0.00 N ATOM 1487 CA ALA B 150 53.026 3.685 4.954 1.00 0.00 C ATOM 1488 C ALA B 150 51.708 2.932 5.219 1.00 0.00 C ATOM 1489 O ALA B 150 51.643 1.723 5.096 1.00 0.00 O ATOM 1490 CB ALA B 150 53.828 3.861 6.248 1.00 0.00 C ATOM 0 H ALA B 150 53.014 5.813 5.138 1.00 0.00 H new ATOM 0 HA ALA B 150 53.572 3.099 4.215 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.075 2.882 6.659 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.747 4.407 6.035 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.234 4.419 6.971 1.00 0.00 H new ATOM 1496 N ASP B 151 50.659 3.640 5.573 1.00 0.00 N ATOM 1497 CA ASP B 151 49.344 2.970 5.836 1.00 0.00 C ATOM 1498 C ASP B 151 48.673 2.559 4.514 1.00 0.00 C ATOM 1499 O ASP B 151 48.080 1.500 4.418 1.00 0.00 O ATOM 1500 CB ASP B 151 48.496 4.019 6.566 1.00 0.00 C ATOM 1501 CG ASP B 151 47.132 3.421 6.916 1.00 0.00 C ATOM 1502 OD1 ASP B 151 47.038 2.773 7.944 1.00 0.00 O ATOM 1503 OD2 ASP B 151 46.206 3.620 6.147 1.00 0.00 O ATOM 0 H ASP B 151 50.658 4.653 5.691 1.00 0.00 H new ATOM 0 HA ASP B 151 49.462 2.060 6.425 1.00 0.00 H new ATOM 0 HB2 ASP B 151 49.005 4.346 7.473 1.00 0.00 H new ATOM 0 HB3 ASP B 151 48.368 4.900 5.937 1.00 0.00 H new ATOM 1508 N ALA B 152 48.762 3.391 3.500 1.00 0.00 N ATOM 1509 CA ALA B 152 48.130 3.060 2.179 1.00 0.00 C ATOM 1510 C ALA B 152 48.573 1.672 1.689 1.00 0.00 C ATOM 1511 O ALA B 152 47.798 0.938 1.104 1.00 0.00 O ATOM 1512 CB ALA B 152 48.618 4.149 1.220 1.00 0.00 C ATOM 0 H ALA B 152 49.247 4.288 3.531 1.00 0.00 H new ATOM 0 HA ALA B 152 47.043 3.029 2.248 1.00 0.00 H new ATOM 0 HB1 ALA B 152 48.198 3.976 0.229 1.00 0.00 H new ATOM 0 HB2 ALA B 152 48.298 5.125 1.585 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.706 4.122 1.162 1.00 0.00 H new ATOM 1518 N MET B 153 49.807 1.304 1.926 1.00 0.00 N ATOM 1519 CA MET B 153 50.291 -0.038 1.478 1.00 0.00 C ATOM 1520 C MET B 153 49.782 -1.137 2.425 1.00 0.00 C ATOM 1521 O MET B 153 49.466 -2.229 1.998 1.00 0.00 O ATOM 1522 CB MET B 153 51.820 0.049 1.518 1.00 0.00 C ATOM 1523 CG MET B 153 52.383 -0.287 0.135 1.00 0.00 C ATOM 1524 SD MET B 153 52.193 1.143 -0.958 1.00 0.00 S ATOM 1525 CE MET B 153 53.283 0.565 -2.281 1.00 0.00 C ATOM 0 H MET B 153 50.500 1.874 2.410 1.00 0.00 H new ATOM 0 HA MET B 153 49.928 -0.291 0.482 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.131 1.050 1.816 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.216 -0.642 2.262 1.00 0.00 H new ATOM 0 HG2 MET B 153 53.435 -0.559 0.215 1.00 0.00 H new ATOM 0 HG3 MET B 153 51.862 -1.149 -0.282 1.00 0.00 H new ATOM 0 HE1 MET B 153 54.038 1.323 -2.488 1.00 0.00 H new ATOM 0 HE2 MET B 153 53.772 -0.359 -1.972 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.697 0.382 -3.181 1.00 0.00 H new ATOM 1535 N MET B 154 49.692 -0.853 3.705 1.00 0.00 N ATOM 1536 CA MET B 154 49.195 -1.885 4.673 1.00 0.00 C ATOM 1537 C MET B 154 47.744 -2.261 4.344 1.00 0.00 C ATOM 1538 O MET B 154 47.428 -3.419 4.163 1.00 0.00 O ATOM 1539 CB MET B 154 49.290 -1.231 6.055 1.00 0.00 C ATOM 1540 CG MET B 154 50.758 -1.152 6.485 1.00 0.00 C ATOM 1541 SD MET B 154 51.049 -2.277 7.871 1.00 0.00 S ATOM 1542 CE MET B 154 52.843 -2.059 7.959 1.00 0.00 C ATOM 0 H MET B 154 49.940 0.045 4.119 1.00 0.00 H new ATOM 0 HA MET B 154 49.779 -2.805 4.628 1.00 0.00 H new ATOM 0 HB2 MET B 154 48.854 -0.232 6.027 1.00 0.00 H new ATOM 0 HB3 MET B 154 48.718 -1.808 6.782 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.406 -1.414 5.649 1.00 0.00 H new ATOM 0 HG3 MET B 154 51.008 -0.131 6.774 1.00 0.00 H new ATOM 0 HE1 MET B 154 53.317 -3.020 8.156 1.00 0.00 H new ATOM 0 HE2 MET B 154 53.208 -1.662 7.012 1.00 0.00 H new ATOM 0 HE3 MET B 154 53.086 -1.363 8.762 1.00 0.00 H new ATOM 1552 N GLN B 155 46.864 -1.294 4.247 1.00 0.00 N ATOM 1553 CA GLN B 155 45.438 -1.614 3.907 1.00 0.00 C ATOM 1554 C GLN B 155 45.350 -2.249 2.506 1.00 0.00 C ATOM 1555 O GLN B 155 44.404 -2.947 2.195 1.00 0.00 O ATOM 1556 CB GLN B 155 44.682 -0.276 3.958 1.00 0.00 C ATOM 1557 CG GLN B 155 45.328 0.744 3.009 1.00 0.00 C ATOM 1558 CD GLN B 155 44.492 0.869 1.734 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.297 1.075 1.792 1.00 0.00 O ATOM 1560 NE2 GLN B 155 45.075 0.760 0.575 1.00 0.00 N ATOM 0 H GLN B 155 47.067 -0.304 4.387 1.00 0.00 H new ATOM 0 HA GLN B 155 45.007 -2.334 4.603 1.00 0.00 H new ATOM 0 HB2 GLN B 155 43.639 -0.430 3.680 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.687 0.112 4.976 1.00 0.00 H new ATOM 0 HG2 GLN B 155 45.405 1.714 3.501 1.00 0.00 H new ATOM 0 HG3 GLN B 155 46.342 0.431 2.760 1.00 0.00 H new ATOM 0 HE21 GLN B 155 46.079 0.587 0.523 1.00 0.00 H new ATOM 0 HE22 GLN B 155 44.528 0.848 -0.281 1.00 0.00 H new ATOM 1569 N ALA B 156 46.337 -2.024 1.666 1.00 0.00 N ATOM 1570 CA ALA B 156 46.321 -2.624 0.297 1.00 0.00 C ATOM 1571 C ALA B 156 46.837 -4.072 0.339 1.00 0.00 C ATOM 1572 O ALA B 156 46.301 -4.945 -0.316 1.00 0.00 O ATOM 1573 CB ALA B 156 47.258 -1.743 -0.535 1.00 0.00 C ATOM 0 H ALA B 156 47.153 -1.449 1.874 1.00 0.00 H new ATOM 0 HA ALA B 156 45.316 -2.661 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA B 156 47.300 -2.120 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.885 -0.719 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA B 156 48.257 -1.762 -0.100 1.00 0.00 H new ATOM 1579 N LEU B 157 47.873 -4.332 1.105 1.00 0.00 N ATOM 1580 CA LEU B 157 48.421 -5.725 1.187 1.00 0.00 C ATOM 1581 C LEU B 157 47.762 -6.493 2.344 1.00 0.00 C ATOM 1582 O LEU B 157 47.144 -7.522 2.139 1.00 0.00 O ATOM 1583 CB LEU B 157 49.926 -5.555 1.436 1.00 0.00 C ATOM 1584 CG LEU B 157 50.611 -5.067 0.154 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.585 -3.940 0.495 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.383 -6.223 -0.491 1.00 0.00 C ATOM 0 H LEU B 157 48.361 -3.641 1.675 1.00 0.00 H new ATOM 0 HA LEU B 157 48.224 -6.295 0.279 1.00 0.00 H new ATOM 0 HB2 LEU B 157 50.092 -4.841 2.243 1.00 0.00 H new ATOM 0 HB3 LEU B 157 50.361 -6.503 1.754 1.00 0.00 H new ATOM 0 HG LEU B 157 49.855 -4.702 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU B 157 52.073 -3.592 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU B 157 51.040 -3.114 0.953 1.00 0.00 H new ATOM 0 HD13 LEU B 157 52.338 -4.308 1.192 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.869 -5.873 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU B 157 52.138 -6.589 0.205 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.692 -7.030 -0.735 1.00 0.00 H new ATOM 1598 N LEU B 158 47.886 -6.002 3.554 1.00 0.00 N ATOM 1599 CA LEU B 158 47.262 -6.700 4.725 1.00 0.00 C ATOM 1600 C LEU B 158 45.732 -6.667 4.616 1.00 0.00 C ATOM 1601 O LEU B 158 45.066 -7.648 4.878 1.00 0.00 O ATOM 1602 CB LEU B 158 47.723 -5.921 5.960 1.00 0.00 C ATOM 1603 CG LEU B 158 48.989 -6.561 6.531 1.00 0.00 C ATOM 1604 CD1 LEU B 158 50.182 -5.635 6.291 1.00 0.00 C ATOM 1605 CD2 LEU B 158 48.811 -6.783 8.034 1.00 0.00 C ATOM 0 H LEU B 158 48.393 -5.147 3.782 1.00 0.00 H new ATOM 0 HA LEU B 158 47.557 -7.748 4.773 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.917 -4.882 5.695 1.00 0.00 H new ATOM 0 HB3 LEU B 158 46.935 -5.916 6.713 1.00 0.00 H new ATOM 0 HG LEU B 158 49.168 -7.517 6.039 1.00 0.00 H new ATOM 0 HD11 LEU B 158 51.084 -6.091 6.698 1.00 0.00 H new ATOM 0 HD12 LEU B 158 50.308 -5.474 5.220 1.00 0.00 H new ATOM 0 HD13 LEU B 158 50.005 -4.679 6.783 1.00 0.00 H new ATOM 0 HD21 LEU B 158 49.712 -7.239 8.444 1.00 0.00 H new ATOM 0 HD22 LEU B 158 48.634 -5.826 8.525 1.00 0.00 H new ATOM 0 HD23 LEU B 158 47.960 -7.442 8.206 1.00 0.00 H new