USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 778 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 Single : A 1 THR N :NH3+ -163:sc= -0.0513 (180deg=-0.455) USER MOD Single : A 1 THR OG1 : rot 38:sc= 0.692 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.688! C(o=-0.69!,f=-9.4!) USER MOD Single : A 5 THR OG1 : rot -15:sc= 0.508 USER MOD Single : A 12 ASN : amide:sc= -2.17! C(o=-2.2!,f=-3.7!) USER MOD Single : A 25 CYS SG : rot 47:sc= 1.15 USER MOD Single : A 26 GLN : amide:sc= -0.0352 K(o=-0.035,f=-0.57) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.89 K(o=-0.89,f=-0.03) USER MOD Single : A 35 HIS : no HE2:sc= -3.43 K(o=-3.4,f=-8.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -52:sc= 0.472! USER MOD Single : A 47 SER OG : rot 180:sc= 0.259 USER MOD Single : A 49 ASN : amide:sc=-0.00332 X(o=-0.0033,f=-0.24) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 61 HIS : no HD1:sc= -6.96! C(o=-7!,f=-15!) USER MOD Single : A 66 LYS NZ :NH3+ -126:sc= 0.0713 (180deg=-3.4!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-8.3e-05) USER MOD Single : A 71 GLN : amide:sc= 0.494 K(o=0.49,f=-3.1!) USER MOD Single : A 73 SER OG : rot 93:sc= 0.0772 USER MOD Single : A 74 CYS SG : rot -84:sc= 0.0779 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -134:sc=-0.00358 (180deg=-0.724) USER MOD Single : A 85 THR OG1 : rot -150:sc= -1.5 USER MOD Single : A 86 SER OG : rot 180:sc= -0.32 USER MOD Single : A 90 THR OG1 : rot -12:sc= 0.189 USER MOD Single : A 97 HIS : no HD1:sc= -0.888 X(o=-0.89,f=-0.57) USER MOD Single : A 98 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-1.6) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 100 HIS : no HE2:sc= -0.812 K(o=-0.81,f=-3.2!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -2.43 X(o=-2.4,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.618 0.197 -3.036 1.00 0.00 N ATOM 2 CA THR A 1 55.715 1.493 -3.766 1.00 0.00 C ATOM 3 C THR A 1 54.661 2.461 -3.229 1.00 0.00 C ATOM 4 O THR A 1 53.464 2.258 -3.430 1.00 0.00 O ATOM 5 CB THR A 1 55.477 1.243 -5.255 1.00 0.00 C ATOM 6 OG1 THR A 1 54.254 0.540 -5.419 1.00 0.00 O ATOM 7 CG2 THR A 1 56.626 0.409 -5.826 1.00 0.00 C ATOM 0 H1 THR A 1 56.490 -0.350 -3.183 1.00 0.00 H new ATOM 0 H2 THR A 1 55.491 0.379 -2.020 1.00 0.00 H new ATOM 0 H3 THR A 1 54.805 -0.344 -3.395 1.00 0.00 H new ATOM 0 HA THR A 1 56.704 1.927 -3.621 1.00 0.00 H new ATOM 0 HB THR A 1 55.428 2.195 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 1 53.596 0.872 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 1 56.454 0.232 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 1 57.565 0.946 -5.695 1.00 0.00 H new ATOM 0 HG23 THR A 1 56.678 -0.546 -5.303 1.00 0.00 H new ATOM 17 N ALA A 2 55.109 3.514 -2.548 1.00 0.00 N ATOM 18 CA ALA A 2 54.187 4.506 -1.992 1.00 0.00 C ATOM 19 C ALA A 2 54.885 5.850 -1.815 1.00 0.00 C ATOM 20 O ALA A 2 54.290 6.906 -2.037 1.00 0.00 O ATOM 21 CB ALA A 2 53.657 4.028 -0.636 1.00 0.00 C ATOM 0 H ALA A 2 56.095 3.703 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 2 53.357 4.627 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.972 4.772 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 2 53.131 3.082 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.491 3.889 0.052 1.00 0.00 H new ATOM 27 N LYS A 3 56.148 5.798 -1.415 1.00 0.00 N ATOM 28 CA LYS A 3 56.930 7.008 -1.208 1.00 0.00 C ATOM 29 C LYS A 3 58.413 6.663 -1.172 1.00 0.00 C ATOM 30 O LYS A 3 58.847 5.849 -0.356 1.00 0.00 O ATOM 31 CB LYS A 3 56.531 7.676 0.113 1.00 0.00 C ATOM 32 CG LYS A 3 57.239 9.027 0.232 1.00 0.00 C ATOM 33 CD LYS A 3 56.795 9.730 1.515 1.00 0.00 C ATOM 34 CE LYS A 3 57.495 11.087 1.618 1.00 0.00 C ATOM 35 NZ LYS A 3 57.105 11.758 2.892 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.652 4.931 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 3 56.735 7.696 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.451 7.814 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.801 7.036 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.319 8.883 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 3 57.007 9.648 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.713 9.865 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 3 57.038 9.116 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 3 58.576 10.953 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.223 11.713 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 57.582 12.680 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 56.075 11.899 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 57.386 11.163 3.698 1.00 0.00 H new ATOM 49 N ASN A 4 59.192 7.288 -2.053 1.00 0.00 N ATOM 50 CA ASN A 4 60.635 7.053 -2.114 1.00 0.00 C ATOM 51 C ASN A 4 61.361 8.395 -2.175 1.00 0.00 C ATOM 52 O ASN A 4 61.155 9.162 -3.116 1.00 0.00 O ATOM 53 CB ASN A 4 60.968 6.237 -3.362 1.00 0.00 C ATOM 54 CG ASN A 4 60.336 6.887 -4.589 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.415 7.693 -4.457 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.772 6.582 -5.782 1.00 0.00 N ATOM 0 H ASN A 4 58.848 7.963 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 4 60.953 6.504 -1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.049 6.174 -3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.600 5.217 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 4 60.349 7.012 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 4 61.535 5.914 -5.891 1.00 0.00 H new ATOM 63 N THR A 5 62.214 8.693 -1.194 1.00 0.00 N ATOM 64 CA THR A 5 62.932 9.968 -1.219 1.00 0.00 C ATOM 65 C THR A 5 64.198 9.921 -0.358 1.00 0.00 C ATOM 66 O THR A 5 64.131 9.894 0.872 1.00 0.00 O ATOM 67 CB THR A 5 62.008 11.081 -0.718 1.00 0.00 C ATOM 68 OG1 THR A 5 60.885 11.182 -1.581 1.00 0.00 O ATOM 69 CG2 THR A 5 62.764 12.406 -0.713 1.00 0.00 C ATOM 0 H THR A 5 62.421 8.091 -0.397 1.00 0.00 H new ATOM 0 HA THR A 5 63.236 10.166 -2.247 1.00 0.00 H new ATOM 0 HB THR A 5 61.673 10.850 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 5 61.069 10.702 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 5 62.106 13.199 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.629 12.329 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 5 63.097 12.639 -1.724 1.00 0.00 H new ATOM 77 N VAL A 6 65.347 9.890 -1.031 1.00 0.00 N ATOM 78 CA VAL A 6 66.632 9.821 -0.336 1.00 0.00 C ATOM 79 C VAL A 6 66.840 11.057 0.535 1.00 0.00 C ATOM 80 O VAL A 6 66.757 12.192 0.068 1.00 0.00 O ATOM 81 CB VAL A 6 67.794 9.666 -1.361 1.00 0.00 C ATOM 82 CG1 VAL A 6 69.087 10.328 -0.851 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.082 8.179 -1.600 1.00 0.00 C ATOM 0 H VAL A 6 65.415 9.911 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 6 66.628 8.946 0.314 1.00 0.00 H new ATOM 0 HB VAL A 6 67.482 10.154 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 6 69.877 10.201 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 6 68.911 11.391 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 6 69.389 9.861 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 6 68.896 8.077 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.367 7.708 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 6 67.188 7.694 -1.993 1.00 0.00 H new ATOM 93 N VAL A 7 67.153 10.802 1.798 1.00 0.00 N ATOM 94 CA VAL A 7 67.429 11.860 2.755 1.00 0.00 C ATOM 95 C VAL A 7 68.898 12.245 2.633 1.00 0.00 C ATOM 96 O VAL A 7 69.262 13.422 2.638 1.00 0.00 O ATOM 97 CB VAL A 7 67.116 11.364 4.172 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.307 12.502 5.185 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.666 10.862 4.214 1.00 0.00 C ATOM 0 H VAL A 7 67.222 9.861 2.185 1.00 0.00 H new ATOM 0 HA VAL A 7 66.807 12.732 2.553 1.00 0.00 H new ATOM 0 HB VAL A 7 67.795 10.552 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.082 12.138 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.339 12.852 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.636 13.325 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.433 10.507 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.991 11.677 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.543 10.045 3.502 1.00 0.00 H new ATOM 109 N ARG A 8 69.730 11.213 2.506 1.00 0.00 N ATOM 110 CA ARG A 8 71.173 11.376 2.360 1.00 0.00 C ATOM 111 C ARG A 8 71.736 10.284 1.457 1.00 0.00 C ATOM 112 O ARG A 8 71.481 9.099 1.665 1.00 0.00 O ATOM 113 CB ARG A 8 71.854 11.320 3.746 1.00 0.00 C ATOM 114 CG ARG A 8 73.317 10.846 3.621 1.00 0.00 C ATOM 115 CD ARG A 8 74.051 11.087 4.942 1.00 0.00 C ATOM 116 NE ARG A 8 74.169 12.518 5.204 1.00 0.00 N ATOM 117 CZ ARG A 8 75.006 13.278 4.504 1.00 0.00 C ATOM 118 NH1 ARG A 8 75.678 12.762 3.510 1.00 0.00 N ATOM 119 NH2 ARG A 8 75.157 14.539 4.810 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.422 10.241 2.502 1.00 0.00 H new ATOM 0 HA ARG A 8 71.374 12.346 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.825 12.306 4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.303 10.644 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.346 9.787 3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.816 11.382 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.513 10.605 5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 8 75.042 10.635 4.903 1.00 0.00 H new ATOM 0 HE ARG A 8 73.600 12.942 5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.560 11.777 3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 8 76.320 13.344 2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 8 74.633 14.942 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 8 75.799 15.121 4.272 1.00 0.00 H new ATOM 133 N GLY A 9 72.539 10.689 0.483 1.00 0.00 N ATOM 134 CA GLY A 9 73.175 9.743 -0.414 1.00 0.00 C ATOM 135 C GLY A 9 74.557 9.404 0.125 1.00 0.00 C ATOM 136 O GLY A 9 74.945 9.880 1.191 1.00 0.00 O ATOM 0 H GLY A 9 72.763 11.666 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.571 8.839 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.255 10.168 -1.415 1.00 0.00 H new ATOM 140 N LEU A 10 75.299 8.595 -0.607 1.00 0.00 N ATOM 141 CA LEU A 10 76.633 8.221 -0.182 1.00 0.00 C ATOM 142 C LEU A 10 77.547 9.430 -0.234 1.00 0.00 C ATOM 143 O LEU A 10 77.232 10.433 -0.875 1.00 0.00 O ATOM 144 CB LEU A 10 77.158 7.111 -1.086 1.00 0.00 C ATOM 145 CG LEU A 10 76.283 5.855 -0.906 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.382 4.982 -2.160 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.770 5.030 0.297 1.00 0.00 C ATOM 0 H LEU A 10 75.003 8.187 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 10 76.603 7.856 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.141 7.435 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.195 6.885 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 10 75.253 6.171 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.764 4.093 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.034 5.547 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.419 4.684 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.142 4.147 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.803 4.722 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.711 5.636 1.201 1.00 0.00 H new ATOM 159 N GLU A 11 78.677 9.345 0.455 1.00 0.00 N ATOM 160 CA GLU A 11 79.623 10.452 0.494 1.00 0.00 C ATOM 161 C GLU A 11 81.048 9.928 0.433 1.00 0.00 C ATOM 162 O GLU A 11 81.289 8.728 0.571 1.00 0.00 O ATOM 163 CB GLU A 11 79.418 11.261 1.779 1.00 0.00 C ATOM 164 CG GLU A 11 79.319 10.314 2.977 1.00 0.00 C ATOM 165 CD GLU A 11 77.954 9.632 3.002 1.00 0.00 C ATOM 166 OE1 GLU A 11 76.966 10.331 3.150 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 77.919 8.418 2.879 1.00 0.00 O ATOM 0 H GLU A 11 78.960 8.525 0.992 1.00 0.00 H new ATOM 0 HA GLU A 11 79.450 11.096 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.247 11.954 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.511 11.860 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.107 9.563 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.472 10.870 3.902 1.00 0.00 H new ATOM 174 N ASN A 12 81.991 10.834 0.226 1.00 0.00 N ATOM 175 CA ASN A 12 83.391 10.452 0.153 1.00 0.00 C ATOM 176 C ASN A 12 83.820 9.777 1.459 1.00 0.00 C ATOM 177 O ASN A 12 83.382 10.168 2.541 1.00 0.00 O ATOM 178 CB ASN A 12 84.246 11.694 -0.125 1.00 0.00 C ATOM 179 CG ASN A 12 84.051 12.730 0.978 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.357 12.470 1.962 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.624 13.899 0.871 1.00 0.00 N ATOM 0 H ASN A 12 81.814 11.831 0.106 1.00 0.00 H new ATOM 0 HA ASN A 12 83.533 9.740 -0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.297 11.413 -0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.973 12.123 -1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 12 84.497 14.598 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.198 14.113 0.056 1.00 0.00 H new ATOM 188 N VAL A 13 84.692 8.770 1.348 1.00 0.00 N ATOM 189 CA VAL A 13 85.193 8.049 2.531 1.00 0.00 C ATOM 190 C VAL A 13 86.722 8.008 2.505 1.00 0.00 C ATOM 191 O VAL A 13 87.323 7.643 1.494 1.00 0.00 O ATOM 192 CB VAL A 13 84.618 6.621 2.559 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.342 5.778 3.620 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.128 6.686 2.903 1.00 0.00 C ATOM 0 H VAL A 13 85.065 8.435 0.460 1.00 0.00 H new ATOM 0 HA VAL A 13 84.872 8.571 3.432 1.00 0.00 H new ATOM 0 HB VAL A 13 84.758 6.162 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.926 4.770 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.405 5.730 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.209 6.235 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.715 5.677 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.000 7.151 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.606 7.276 2.150 1.00 0.00 H new ATOM 204 N GLU A 14 87.348 8.402 3.621 1.00 0.00 N ATOM 205 CA GLU A 14 88.816 8.427 3.718 1.00 0.00 C ATOM 206 C GLU A 14 89.313 7.560 4.873 1.00 0.00 C ATOM 207 O GLU A 14 88.921 7.767 6.022 1.00 0.00 O ATOM 208 CB GLU A 14 89.290 9.862 3.950 1.00 0.00 C ATOM 209 CG GLU A 14 88.936 10.725 2.740 1.00 0.00 C ATOM 210 CD GLU A 14 89.441 12.148 2.962 1.00 0.00 C ATOM 211 OE1 GLU A 14 89.901 12.425 4.058 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 89.353 12.939 2.038 1.00 0.00 O ATOM 0 H GLU A 14 86.865 8.707 4.466 1.00 0.00 H new ATOM 0 HA GLU A 14 89.218 8.034 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 14 88.823 10.268 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 14 90.367 9.877 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 14 89.383 10.306 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 14 87.857 10.731 2.588 1.00 0.00 H new ATOM 219 N ALA A 15 90.197 6.603 4.574 1.00 0.00 N ATOM 220 CA ALA A 15 90.747 5.736 5.620 1.00 0.00 C ATOM 221 C ALA A 15 92.152 5.247 5.266 1.00 0.00 C ATOM 222 O ALA A 15 92.436 4.911 4.121 1.00 0.00 O ATOM 223 CB ALA A 15 89.834 4.527 5.829 1.00 0.00 C ATOM 0 H ALA A 15 90.542 6.411 3.634 1.00 0.00 H new ATOM 0 HA ALA A 15 90.808 6.324 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.250 3.888 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.843 4.867 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.758 3.963 4.899 1.00 0.00 H new ATOM 229 N LEU A 16 93.026 5.208 6.268 1.00 0.00 N ATOM 230 CA LEU A 16 94.404 4.757 6.070 1.00 0.00 C ATOM 231 C LEU A 16 94.433 3.238 5.875 1.00 0.00 C ATOM 232 O LEU A 16 93.505 2.539 6.283 1.00 0.00 O ATOM 233 CB LEU A 16 95.238 5.156 7.301 1.00 0.00 C ATOM 234 CG LEU A 16 96.711 4.744 7.149 1.00 0.00 C ATOM 235 CD1 LEU A 16 97.368 5.520 6.001 1.00 0.00 C ATOM 236 CD2 LEU A 16 97.451 5.054 8.454 1.00 0.00 C ATOM 0 H LEU A 16 92.807 5.483 7.225 1.00 0.00 H new ATOM 0 HA LEU A 16 94.824 5.225 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 16 95.175 6.234 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 16 94.819 4.687 8.192 1.00 0.00 H new ATOM 0 HG LEU A 16 96.762 3.678 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 16 98.411 5.217 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 16 96.842 5.307 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 16 97.319 6.589 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 16 98.497 4.765 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 16 97.387 6.122 8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 16 96.995 4.496 9.272 1.00 0.00 H new ATOM 248 N GLU A 17 95.504 2.729 5.269 1.00 0.00 N ATOM 249 CA GLU A 17 95.634 1.287 5.055 1.00 0.00 C ATOM 250 C GLU A 17 95.284 0.520 6.329 1.00 0.00 C ATOM 251 O GLU A 17 95.535 0.987 7.441 1.00 0.00 O ATOM 252 CB GLU A 17 97.065 0.947 4.633 1.00 0.00 C ATOM 253 CG GLU A 17 97.190 -0.555 4.362 1.00 0.00 C ATOM 254 CD GLU A 17 98.593 -0.870 3.857 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.265 0.053 3.426 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 98.973 -2.027 3.904 1.00 0.00 O ATOM 0 H GLU A 17 96.286 3.284 4.921 1.00 0.00 H new ATOM 0 HA GLU A 17 94.942 0.994 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.332 1.509 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.763 1.243 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 17 96.986 -1.117 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 17 96.449 -0.864 3.624 1.00 0.00 H new ATOM 263 N GLY A 18 94.700 -0.662 6.151 1.00 0.00 N ATOM 264 CA GLY A 18 94.308 -1.499 7.276 1.00 0.00 C ATOM 265 C GLY A 18 93.284 -0.787 8.147 1.00 0.00 C ATOM 266 O GLY A 18 93.089 -1.138 9.311 1.00 0.00 O ATOM 0 H GLY A 18 94.488 -1.060 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.891 -2.437 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.186 -1.751 7.871 1.00 0.00 H new ATOM 270 N GLY A 19 92.627 0.215 7.572 1.00 0.00 N ATOM 271 CA GLY A 19 91.616 0.976 8.298 1.00 0.00 C ATOM 272 C GLY A 19 90.237 0.376 8.072 1.00 0.00 C ATOM 273 O GLY A 19 90.082 -0.576 7.310 1.00 0.00 O ATOM 0 H GLY A 19 92.775 0.518 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.849 0.978 9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.626 2.015 7.967 1.00 0.00 H new ATOM 277 N GLU A 20 89.233 0.948 8.729 1.00 0.00 N ATOM 278 CA GLU A 20 87.855 0.478 8.592 1.00 0.00 C ATOM 279 C GLU A 20 87.049 1.546 7.868 1.00 0.00 C ATOM 280 O GLU A 20 87.408 2.724 7.912 1.00 0.00 O ATOM 281 CB GLU A 20 87.256 0.218 9.978 1.00 0.00 C ATOM 282 CG GLU A 20 85.869 -0.409 9.832 1.00 0.00 C ATOM 283 CD GLU A 20 85.293 -0.724 11.208 1.00 0.00 C ATOM 284 OE1 GLU A 20 86.059 -0.736 12.158 1.00 0.00 O ATOM 285 OE2 GLU A 20 84.097 -0.948 11.293 1.00 0.00 O1- ATOM 0 H GLU A 20 89.346 1.739 9.363 1.00 0.00 H new ATOM 0 HA GLU A 20 87.832 -0.452 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.907 -0.445 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.186 1.152 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.207 0.273 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.933 -1.321 9.238 1.00 0.00 H new ATOM 292 N ALA A 21 85.965 1.156 7.192 1.00 0.00 N ATOM 293 CA ALA A 21 85.155 2.153 6.467 1.00 0.00 C ATOM 294 C ALA A 21 83.673 1.847 6.579 1.00 0.00 C ATOM 295 O ALA A 21 83.259 0.687 6.574 1.00 0.00 O ATOM 296 CB ALA A 21 85.568 2.214 4.986 1.00 0.00 C ATOM 0 H ALA A 21 85.632 0.194 7.128 1.00 0.00 H new ATOM 0 HA ALA A 21 85.339 3.124 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.959 2.955 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.619 2.493 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.419 1.237 4.526 1.00 0.00 H new ATOM 302 N LEU A 22 82.874 2.909 6.695 1.00 0.00 N ATOM 303 CA LEU A 22 81.426 2.763 6.823 1.00 0.00 C ATOM 304 C LEU A 22 80.682 3.753 5.933 1.00 0.00 C ATOM 305 O LEU A 22 80.947 4.955 5.970 1.00 0.00 O ATOM 306 CB LEU A 22 81.006 2.996 8.280 1.00 0.00 C ATOM 307 CG LEU A 22 81.927 2.202 9.244 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.088 3.090 9.718 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.131 1.731 10.470 1.00 0.00 C ATOM 0 H LEU A 22 83.204 3.874 6.703 1.00 0.00 H new ATOM 0 HA LEU A 22 81.168 1.751 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.056 4.060 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.970 2.687 8.420 1.00 0.00 H new ATOM 0 HG LEU A 22 82.320 1.338 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.728 2.522 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.670 3.418 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.691 3.961 10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.788 1.175 11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.726 2.596 10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.313 1.087 10.147 1.00 0.00 H new ATOM 321 N PHE A 23 79.729 3.239 5.154 1.00 0.00 N ATOM 322 CA PHE A 23 78.917 4.081 4.273 1.00 0.00 C ATOM 323 C PHE A 23 77.490 4.154 4.811 1.00 0.00 C ATOM 324 O PHE A 23 76.732 3.188 4.704 1.00 0.00 O ATOM 325 CB PHE A 23 78.886 3.483 2.857 1.00 0.00 C ATOM 326 CG PHE A 23 80.133 3.856 2.094 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.198 5.092 1.445 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.211 2.964 2.021 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.342 5.442 0.720 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.358 3.315 1.297 1.00 0.00 C ATOM 331 CZ PHE A 23 82.423 4.554 0.645 1.00 0.00 C ATOM 0 H PHE A 23 79.500 2.246 5.115 1.00 0.00 H new ATOM 0 HA PHE A 23 79.353 5.079 4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.801 2.398 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.006 3.843 2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.365 5.777 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.158 2.008 2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.392 6.397 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.192 2.631 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.306 4.824 0.085 1.00 0.00 H new ATOM 341 N GLU A 24 77.130 5.293 5.408 1.00 0.00 N ATOM 342 CA GLU A 24 75.789 5.453 5.970 1.00 0.00 C ATOM 343 C GLU A 24 74.901 6.260 5.040 1.00 0.00 C ATOM 344 O GLU A 24 75.085 7.465 4.861 1.00 0.00 O ATOM 345 CB GLU A 24 75.861 6.141 7.335 1.00 0.00 C ATOM 346 CG GLU A 24 76.530 5.192 8.326 1.00 0.00 C ATOM 347 CD GLU A 24 76.609 5.826 9.711 1.00 0.00 C ATOM 348 OE1 GLU A 24 75.914 6.804 9.937 1.00 0.00 O ATOM 349 OE2 GLU A 24 77.373 5.330 10.523 1.00 0.00 O1- ATOM 0 H GLU A 24 77.738 6.105 5.513 1.00 0.00 H new ATOM 0 HA GLU A 24 75.357 4.459 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.426 7.070 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.861 6.403 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.969 4.259 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.532 4.942 7.978 1.00 0.00 H new ATOM 356 N CYS A 25 73.918 5.571 4.468 1.00 0.00 N ATOM 357 CA CYS A 25 72.957 6.191 3.562 1.00 0.00 C ATOM 358 C CYS A 25 71.556 5.984 4.114 1.00 0.00 C ATOM 359 O CYS A 25 71.177 4.865 4.460 1.00 0.00 O ATOM 360 CB CYS A 25 73.061 5.560 2.169 1.00 0.00 C ATOM 361 SG CYS A 25 71.634 6.051 1.169 1.00 0.00 S ATOM 0 H CYS A 25 73.766 4.574 4.618 1.00 0.00 H new ATOM 0 HA CYS A 25 73.171 7.257 3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 25 73.984 5.877 1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.102 4.474 2.253 1.00 0.00 H new ATOM 0 HG CYS A 25 71.444 7.332 1.283 1.00 0.00 H new ATOM 367 N GLN A 26 70.790 7.064 4.207 1.00 0.00 N ATOM 368 CA GLN A 26 69.428 6.992 4.729 1.00 0.00 C ATOM 369 C GLN A 26 68.437 7.323 3.632 1.00 0.00 C ATOM 370 O GLN A 26 68.762 8.041 2.687 1.00 0.00 O ATOM 371 CB GLN A 26 69.261 7.985 5.879 1.00 0.00 C ATOM 372 CG GLN A 26 70.133 7.553 7.058 1.00 0.00 C ATOM 373 CD GLN A 26 70.017 8.565 8.193 1.00 0.00 C ATOM 374 OE1 GLN A 26 70.005 9.771 7.954 1.00 0.00 O ATOM 375 NE2 GLN A 26 69.936 8.140 9.423 1.00 0.00 N ATOM 0 H GLN A 26 71.087 7.999 3.929 1.00 0.00 H new ATOM 0 HA GLN A 26 69.242 5.981 5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.543 8.986 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.216 8.032 6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.825 6.567 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 26 71.172 7.469 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 26 69.946 7.139 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 26 69.862 8.809 10.190 1.00 0.00 H new ATOM 384 N LEU A 27 67.225 6.800 3.759 1.00 0.00 N ATOM 385 CA LEU A 27 66.195 7.058 2.764 1.00 0.00 C ATOM 386 C LEU A 27 64.804 6.890 3.357 1.00 0.00 C ATOM 387 O LEU A 27 64.641 6.421 4.484 1.00 0.00 O ATOM 388 CB LEU A 27 66.357 6.121 1.553 1.00 0.00 C ATOM 389 CG LEU A 27 66.772 4.703 1.989 1.00 0.00 C ATOM 390 CD1 LEU A 27 65.896 4.194 3.143 1.00 0.00 C ATOM 391 CD2 LEU A 27 66.596 3.760 0.798 1.00 0.00 C ATOM 0 H LEU A 27 66.934 6.201 4.532 1.00 0.00 H new ATOM 0 HA LEU A 27 66.312 8.090 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.419 6.073 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.106 6.528 0.874 1.00 0.00 H new ATOM 0 HG LEU A 27 67.808 4.733 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 27 66.215 3.191 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 27 65.996 4.862 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 27 64.854 4.167 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.885 2.750 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.552 3.762 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.225 4.095 -0.027 1.00 0.00 H new ATOM 403 N SER A 28 63.801 7.266 2.569 1.00 0.00 N ATOM 404 CA SER A 28 62.409 7.146 2.988 1.00 0.00 C ATOM 405 C SER A 28 61.670 6.194 2.056 1.00 0.00 C ATOM 406 O SER A 28 61.099 6.611 1.053 1.00 0.00 O ATOM 407 CB SER A 28 61.746 8.523 2.965 1.00 0.00 C ATOM 408 OG SER A 28 60.394 8.402 3.385 1.00 0.00 O ATOM 0 H SER A 28 63.927 7.657 1.635 1.00 0.00 H new ATOM 0 HA SER A 28 62.370 6.748 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.282 9.208 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.790 8.944 1.960 1.00 0.00 H new ATOM 0 HG SER A 28 59.967 9.284 3.372 1.00 0.00 H new ATOM 414 N GLN A 29 61.690 4.913 2.402 1.00 0.00 N ATOM 415 CA GLN A 29 61.027 3.895 1.595 1.00 0.00 C ATOM 416 C GLN A 29 60.951 2.578 2.362 1.00 0.00 C ATOM 417 O GLN A 29 61.720 1.656 2.095 1.00 0.00 O ATOM 418 CB GLN A 29 61.806 3.666 0.293 1.00 0.00 C ATOM 419 CG GLN A 29 60.966 2.829 -0.675 1.00 0.00 C ATOM 420 CD GLN A 29 61.825 2.370 -1.853 1.00 0.00 C ATOM 421 OE1 GLN A 29 61.357 2.353 -2.992 1.00 0.00 O ATOM 422 NE2 GLN A 29 63.060 1.999 -1.647 1.00 0.00 N ATOM 0 H GLN A 29 62.157 4.554 3.235 1.00 0.00 H new ATOM 0 HA GLN A 29 60.019 4.242 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 29 62.058 4.623 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.746 3.157 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.554 1.963 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 29 60.122 3.416 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 29 63.446 2.014 -0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 29 63.638 1.695 -2.430 1.00 0.00 H new ATOM 431 N PRO A 30 60.044 2.469 3.298 1.00 0.00 N ATOM 432 CA PRO A 30 59.873 1.231 4.107 1.00 0.00 C ATOM 433 C PRO A 30 59.232 0.111 3.281 1.00 0.00 C ATOM 434 O PRO A 30 58.364 -0.618 3.760 1.00 0.00 O ATOM 435 CB PRO A 30 58.984 1.665 5.302 1.00 0.00 C ATOM 436 CG PRO A 30 58.696 3.138 5.117 1.00 0.00 C ATOM 437 CD PRO A 30 59.081 3.504 3.679 1.00 0.00 C ATOM 0 HA PRO A 30 60.823 0.819 4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 30 58.059 1.090 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.494 1.486 6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.642 3.348 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 30 59.266 3.733 5.830 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.212 3.503 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.522 4.499 3.624 1.00 0.00 H new ATOM 445 N GLU A 31 59.684 -0.018 2.036 1.00 0.00 N ATOM 446 CA GLU A 31 59.179 -1.041 1.132 1.00 0.00 C ATOM 447 C GLU A 31 60.289 -1.429 0.167 1.00 0.00 C ATOM 448 O GLU A 31 61.174 -0.621 -0.113 1.00 0.00 O ATOM 449 CB GLU A 31 57.968 -0.500 0.366 1.00 0.00 C ATOM 450 CG GLU A 31 57.356 -1.605 -0.506 1.00 0.00 C ATOM 451 CD GLU A 31 58.175 -1.798 -1.783 1.00 0.00 C ATOM 452 OE1 GLU A 31 58.882 -0.878 -2.160 1.00 0.00 O ATOM 453 OE2 GLU A 31 58.081 -2.866 -2.366 1.00 0.00 O1- ATOM 0 H GLU A 31 60.404 0.579 1.631 1.00 0.00 H new ATOM 0 HA GLU A 31 58.865 -1.920 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.223 -0.125 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.269 0.341 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 31 57.320 -2.539 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 56.328 -1.347 -0.762 1.00 0.00 H new ATOM 460 N VAL A 32 60.250 -2.657 -0.347 1.00 0.00 N ATOM 461 CA VAL A 32 61.275 -3.109 -1.288 1.00 0.00 C ATOM 462 C VAL A 32 60.644 -3.804 -2.489 1.00 0.00 C ATOM 463 O VAL A 32 59.984 -4.835 -2.360 1.00 0.00 O ATOM 464 CB VAL A 32 62.275 -4.027 -0.575 1.00 0.00 C ATOM 465 CG1 VAL A 32 62.603 -3.441 0.799 1.00 0.00 C ATOM 466 CG2 VAL A 32 61.692 -5.438 -0.407 1.00 0.00 C ATOM 0 H VAL A 32 59.531 -3.348 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 32 61.815 -2.239 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 32 63.181 -4.097 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 32 63.314 -4.090 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 32 63.039 -2.450 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 32 61.690 -3.366 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 32 62.417 -6.073 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 32 60.778 -5.386 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 32 61.466 -5.857 -1.387 1.00 0.00 H new ATOM 476 N ALA A 33 60.863 -3.211 -3.661 1.00 0.00 N ATOM 477 CA ALA A 33 60.333 -3.739 -4.918 1.00 0.00 C ATOM 478 C ALA A 33 61.465 -4.284 -5.783 1.00 0.00 C ATOM 479 O ALA A 33 61.318 -5.320 -6.432 1.00 0.00 O ATOM 480 CB ALA A 33 59.601 -2.625 -5.669 1.00 0.00 C ATOM 0 H ALA A 33 61.409 -2.356 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 33 59.639 -4.550 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.205 -3.017 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.780 -2.252 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.295 -1.812 -5.880 1.00 0.00 H new ATOM 486 N ALA A 34 62.597 -3.584 -5.771 1.00 0.00 N ATOM 487 CA ALA A 34 63.763 -4.004 -6.542 1.00 0.00 C ATOM 488 C ALA A 34 64.983 -3.176 -6.144 1.00 0.00 C ATOM 489 O ALA A 34 64.979 -1.953 -6.285 1.00 0.00 O ATOM 490 CB ALA A 34 63.488 -3.837 -8.035 1.00 0.00 C ATOM 0 H ALA A 34 62.731 -2.725 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 34 63.964 -5.054 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.363 -4.152 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.631 -4.449 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.273 -2.790 -8.251 1.00 0.00 H new ATOM 496 N HIS A 35 66.031 -3.839 -5.651 1.00 0.00 N ATOM 497 CA HIS A 35 67.250 -3.131 -5.243 1.00 0.00 C ATOM 498 C HIS A 35 68.492 -3.862 -5.727 1.00 0.00 C ATOM 499 O HIS A 35 68.641 -5.064 -5.512 1.00 0.00 O ATOM 500 CB HIS A 35 67.309 -3.015 -3.720 1.00 0.00 C ATOM 501 CG HIS A 35 66.030 -2.422 -3.213 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.420 -1.339 -3.827 1.00 0.00 N ATOM 503 CD2 HIS A 35 65.224 -2.760 -2.159 1.00 0.00 C ATOM 504 CE1 HIS A 35 64.293 -1.071 -3.143 1.00 0.00 C ATOM 505 NE2 HIS A 35 64.127 -1.908 -2.116 1.00 0.00 N ATOM 0 H HIS A 35 66.063 -4.851 -5.525 1.00 0.00 H new ATOM 0 HA HIS A 35 67.222 -2.138 -5.691 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.468 -3.998 -3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.153 -2.392 -3.425 1.00 0.00 H new ATOM 0 HD1 HIS A 35 65.763 -0.838 -4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 35 65.412 -3.567 -1.466 1.00 0.00 H new ATOM 0 HE1 HIS A 35 63.606 -0.276 -3.394 1.00 0.00 H new ATOM 513 N THR A 36 69.399 -3.117 -6.358 1.00 0.00 N ATOM 514 CA THR A 36 70.656 -3.684 -6.848 1.00 0.00 C ATOM 515 C THR A 36 71.811 -2.892 -6.251 1.00 0.00 C ATOM 516 O THR A 36 71.883 -1.678 -6.413 1.00 0.00 O ATOM 517 CB THR A 36 70.706 -3.616 -8.377 1.00 0.00 C ATOM 518 OG1 THR A 36 69.590 -4.314 -8.913 1.00 0.00 O ATOM 519 CG2 THR A 36 72.000 -4.259 -8.880 1.00 0.00 C ATOM 0 H THR A 36 69.287 -2.120 -6.542 1.00 0.00 H new ATOM 0 HA THR A 36 70.730 -4.730 -6.550 1.00 0.00 H new ATOM 0 HB THR A 36 70.676 -2.574 -8.696 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.617 -4.272 -9.892 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.032 -4.209 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.856 -3.725 -8.467 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.035 -5.302 -8.564 1.00 0.00 H new ATOM 527 N TRP A 37 72.702 -3.577 -5.539 1.00 0.00 N ATOM 528 CA TRP A 37 73.839 -2.915 -4.892 1.00 0.00 C ATOM 529 C TRP A 37 75.154 -3.531 -5.353 1.00 0.00 C ATOM 530 O TRP A 37 75.378 -4.733 -5.214 1.00 0.00 O ATOM 531 CB TRP A 37 73.681 -3.052 -3.366 1.00 0.00 C ATOM 532 CG TRP A 37 74.436 -1.983 -2.616 1.00 0.00 C ATOM 533 CD1 TRP A 37 75.549 -1.328 -3.039 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.135 -1.441 -1.298 1.00 0.00 C ATOM 535 NE1 TRP A 37 75.946 -0.437 -2.062 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.106 -0.465 -0.973 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.122 -1.704 -0.360 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.073 0.226 0.236 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.083 -1.009 0.860 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.057 -0.045 1.157 1.00 0.00 C ATOM 0 H TRP A 37 72.662 -4.586 -5.394 1.00 0.00 H new ATOM 0 HA TRP A 37 73.856 -1.861 -5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.624 -2.998 -3.106 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.037 -4.033 -3.052 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.043 -1.480 -3.987 1.00 0.00 H new ATOM 0 HE1 TRP A 37 76.763 0.169 -2.138 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.368 -2.446 -0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 75.827 0.966 0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.299 -1.218 1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.022 0.487 2.096 1.00 0.00 H new ATOM 551 N LEU A 38 76.037 -2.675 -5.855 1.00 0.00 N ATOM 552 CA LEU A 38 77.354 -3.116 -6.281 1.00 0.00 C ATOM 553 C LEU A 38 78.344 -1.955 -6.322 1.00 0.00 C ATOM 554 O LEU A 38 78.157 -0.962 -7.023 1.00 0.00 O ATOM 555 CB LEU A 38 77.322 -3.863 -7.638 1.00 0.00 C ATOM 556 CG LEU A 38 76.252 -3.298 -8.614 1.00 0.00 C ATOM 557 CD1 LEU A 38 76.852 -2.216 -9.531 1.00 0.00 C ATOM 558 CD2 LEU A 38 75.732 -4.445 -9.493 1.00 0.00 C ATOM 0 H LEU A 38 75.863 -1.677 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 38 77.696 -3.831 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 78.304 -3.798 -8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.123 -4.920 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 38 75.448 -2.855 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 38 76.080 -1.839 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 38 77.236 -1.396 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 38 77.665 -2.645 -10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 38 74.980 -4.062 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 38 76.559 -4.874 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 38 75.287 -5.214 -8.862 1.00 0.00 H new ATOM 570 N LEU A 39 79.413 -2.120 -5.555 1.00 0.00 N ATOM 571 CA LEU A 39 80.477 -1.141 -5.479 1.00 0.00 C ATOM 572 C LEU A 39 81.459 -1.606 -6.512 1.00 0.00 C ATOM 573 O LEU A 39 81.218 -1.449 -7.708 1.00 0.00 O ATOM 574 CB LEU A 39 81.092 -1.093 -4.045 1.00 0.00 C ATOM 575 CG LEU A 39 80.553 -2.245 -3.184 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.208 -3.559 -3.612 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.875 -1.996 -1.712 1.00 0.00 C ATOM 0 H LEU A 39 79.563 -2.941 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 39 80.142 -0.121 -5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.178 -1.157 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.855 -0.139 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 39 79.473 -2.304 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.823 -4.374 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.981 -3.755 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.288 -3.486 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.488 -2.819 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.955 -1.928 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.412 -1.063 -1.391 1.00 0.00 H new ATOM 589 N ASP A 40 82.519 -2.270 -6.086 1.00 0.00 N ATOM 590 CA ASP A 40 83.425 -2.833 -7.037 1.00 0.00 C ATOM 591 C ASP A 40 82.568 -3.700 -7.946 1.00 0.00 C ATOM 592 O ASP A 40 81.400 -3.943 -7.643 1.00 0.00 O ATOM 593 CB ASP A 40 84.509 -3.663 -6.337 1.00 0.00 C ATOM 594 CG ASP A 40 85.529 -4.166 -7.352 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.517 -3.674 -8.469 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 86.310 -5.033 -6.995 1.00 0.00 O ATOM 0 H ASP A 40 82.760 -2.424 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 40 83.952 -2.063 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.008 -3.058 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.053 -4.508 -5.821 1.00 0.00 H new ATOM 601 N ASP A 41 83.097 -4.098 -9.060 1.00 0.00 N ATOM 602 CA ASP A 41 82.324 -4.876 -10.012 1.00 0.00 C ATOM 603 C ASP A 41 81.956 -6.253 -9.447 1.00 0.00 C ATOM 604 O ASP A 41 82.005 -7.262 -10.153 1.00 0.00 O ATOM 605 CB ASP A 41 83.121 -5.024 -11.310 1.00 0.00 C ATOM 606 CG ASP A 41 83.180 -3.684 -12.042 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.396 -2.810 -11.706 1.00 0.00 O1- ATOM 608 OD2 ASP A 41 84.009 -3.553 -12.926 1.00 0.00 O ATOM 0 H ASP A 41 84.057 -3.904 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 41 81.391 -4.349 -10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.130 -5.372 -11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.657 -5.776 -11.948 1.00 0.00 H new ATOM 613 N GLU A 42 81.537 -6.271 -8.172 1.00 0.00 N ATOM 614 CA GLU A 42 81.100 -7.505 -7.515 1.00 0.00 C ATOM 615 C GLU A 42 79.957 -7.176 -6.548 1.00 0.00 C ATOM 616 O GLU A 42 79.996 -6.139 -5.882 1.00 0.00 O ATOM 617 CB GLU A 42 82.261 -8.154 -6.738 1.00 0.00 C ATOM 618 CG GLU A 42 83.175 -8.913 -7.709 1.00 0.00 C ATOM 619 CD GLU A 42 84.350 -9.529 -6.955 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.267 -8.795 -6.627 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 84.317 -10.727 -6.721 1.00 0.00 O ATOM 0 H GLU A 42 81.493 -5.443 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 42 80.761 -8.209 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 42 82.831 -7.389 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 42 81.869 -8.837 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 42 82.609 -9.694 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.543 -8.235 -8.479 1.00 0.00 H new ATOM 628 N PRO A 43 78.943 -8.010 -6.442 1.00 0.00 N ATOM 629 CA PRO A 43 77.818 -7.724 -5.516 1.00 0.00 C ATOM 630 C PRO A 43 78.354 -7.473 -4.110 1.00 0.00 C ATOM 631 O PRO A 43 79.325 -8.103 -3.690 1.00 0.00 O ATOM 632 CB PRO A 43 76.914 -8.978 -5.566 1.00 0.00 C ATOM 633 CG PRO A 43 77.533 -9.943 -6.552 1.00 0.00 C ATOM 634 CD PRO A 43 78.767 -9.272 -7.179 1.00 0.00 C ATOM 0 HA PRO A 43 77.260 -6.831 -5.799 1.00 0.00 H new ATOM 0 HB2 PRO A 43 76.836 -9.435 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 43 75.903 -8.710 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 43 77.818 -10.867 -6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 43 76.812 -10.209 -7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 43 79.648 -9.907 -7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 43 78.616 -9.088 -8.243 1.00 0.00 H new ATOM 642 N VAL A 44 77.741 -6.537 -3.393 1.00 0.00 N ATOM 643 CA VAL A 44 78.208 -6.214 -2.050 1.00 0.00 C ATOM 644 C VAL A 44 77.557 -7.110 -1.009 1.00 0.00 C ATOM 645 O VAL A 44 76.561 -6.760 -0.383 1.00 0.00 O ATOM 646 CB VAL A 44 77.920 -4.744 -1.745 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.409 -4.431 -1.916 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.393 -4.411 -0.319 1.00 0.00 C ATOM 0 H VAL A 44 76.935 -5.998 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 44 79.283 -6.387 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 44 78.467 -4.121 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.228 -3.379 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.108 -4.642 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 44 75.829 -5.051 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.187 -3.363 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 44 77.863 -5.040 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.465 -4.594 -0.239 1.00 0.00 H new ATOM 658 N ARG A 45 78.173 -8.258 -0.812 1.00 0.00 N ATOM 659 CA ARG A 45 77.727 -9.220 0.181 1.00 0.00 C ATOM 660 C ARG A 45 78.959 -9.891 0.733 1.00 0.00 C ATOM 661 O ARG A 45 79.530 -9.441 1.712 1.00 0.00 O ATOM 662 CB ARG A 45 76.774 -10.248 -0.435 1.00 0.00 C ATOM 663 CG ARG A 45 76.418 -11.320 0.616 1.00 0.00 C ATOM 664 CD ARG A 45 75.017 -11.869 0.340 1.00 0.00 C ATOM 665 NE ARG A 45 74.801 -13.109 1.083 1.00 0.00 N ATOM 666 CZ ARG A 45 74.377 -13.096 2.346 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.349 -12.363 2.686 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 74.987 -13.817 3.246 1.00 0.00 N ATOM 0 H ARG A 45 78.998 -8.552 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 45 77.173 -8.719 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 45 75.868 -9.754 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.239 -10.716 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 45 77.148 -12.129 0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 45 76.460 -10.890 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.267 -11.131 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.894 -12.051 -0.728 1.00 0.00 H new ATOM 0 HE ARG A 45 74.979 -14.003 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 45 72.870 -11.800 1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 45 73.026 -12.355 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 45 75.788 -14.390 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 45 74.663 -13.807 4.213 1.00 0.00 H new ATOM 682 N THR A 46 79.384 -10.946 0.069 1.00 0.00 N ATOM 683 CA THR A 46 80.588 -11.652 0.471 1.00 0.00 C ATOM 684 C THR A 46 80.494 -12.128 1.933 1.00 0.00 C ATOM 685 O THR A 46 79.549 -12.831 2.291 1.00 0.00 O ATOM 686 CB THR A 46 81.808 -10.731 0.245 1.00 0.00 C ATOM 687 OG1 THR A 46 82.041 -9.939 1.400 1.00 0.00 O ATOM 688 CG2 THR A 46 81.547 -9.802 -0.950 1.00 0.00 C ATOM 0 H THR A 46 78.916 -11.335 -0.750 1.00 0.00 H new ATOM 0 HA THR A 46 80.704 -12.548 -0.139 1.00 0.00 H new ATOM 0 HB THR A 46 82.681 -11.353 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.212 -9.485 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.411 -9.155 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.377 -10.400 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.667 -9.190 -0.750 1.00 0.00 H new ATOM 696 N SER A 47 81.478 -11.773 2.770 1.00 0.00 N ATOM 697 CA SER A 47 81.483 -12.210 4.177 1.00 0.00 C ATOM 698 C SER A 47 81.956 -11.102 5.125 1.00 0.00 C ATOM 699 O SER A 47 81.627 -9.943 4.953 1.00 0.00 O ATOM 700 CB SER A 47 82.387 -13.427 4.325 1.00 0.00 C ATOM 701 OG SER A 47 82.102 -14.077 5.558 1.00 0.00 O ATOM 0 H SER A 47 82.273 -11.192 2.504 1.00 0.00 H new ATOM 0 HA SER A 47 80.458 -12.461 4.450 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.230 -14.114 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.433 -13.123 4.294 1.00 0.00 H new ATOM 0 HG SER A 47 82.681 -14.862 5.656 1.00 0.00 H new ATOM 707 N GLU A 48 82.699 -11.465 6.158 1.00 0.00 N ATOM 708 CA GLU A 48 83.157 -10.467 7.124 1.00 0.00 C ATOM 709 C GLU A 48 83.889 -9.312 6.429 1.00 0.00 C ATOM 710 O GLU A 48 83.651 -8.144 6.736 1.00 0.00 O ATOM 711 CB GLU A 48 84.087 -11.125 8.146 1.00 0.00 C ATOM 712 CG GLU A 48 84.463 -10.113 9.234 1.00 0.00 C ATOM 713 CD GLU A 48 85.405 -10.759 10.243 1.00 0.00 C ATOM 714 OE1 GLU A 48 85.877 -11.849 9.969 1.00 0.00 O ATOM 715 OE2 GLU A 48 85.651 -10.148 11.270 1.00 0.00 O1- ATOM 0 H GLU A 48 82.996 -12.422 6.352 1.00 0.00 H new ATOM 0 HA GLU A 48 82.282 -10.059 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.596 -11.989 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.986 -11.491 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.940 -9.243 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 48 83.564 -9.758 9.738 1.00 0.00 H new ATOM 722 N ASN A 49 84.797 -9.644 5.520 1.00 0.00 N ATOM 723 CA ASN A 49 85.580 -8.618 4.823 1.00 0.00 C ATOM 724 C ASN A 49 84.688 -7.666 4.020 1.00 0.00 C ATOM 725 O ASN A 49 85.185 -6.773 3.335 1.00 0.00 O ATOM 726 CB ASN A 49 86.589 -9.286 3.889 1.00 0.00 C ATOM 727 CG ASN A 49 87.557 -10.141 4.702 1.00 0.00 C ATOM 728 OD1 ASN A 49 88.105 -9.678 5.703 1.00 0.00 O ATOM 729 ND2 ASN A 49 87.803 -11.368 4.331 1.00 0.00 N ATOM 0 H ASN A 49 85.012 -10.603 5.247 1.00 0.00 H new ATOM 0 HA ASN A 49 86.101 -8.029 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.068 -9.905 3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.139 -8.528 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.449 -11.944 4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.349 -11.751 3.502 1.00 0.00 H new ATOM 736 N ALA A 50 83.375 -7.851 4.125 1.00 0.00 N ATOM 737 CA ALA A 50 82.409 -6.999 3.423 1.00 0.00 C ATOM 738 C ALA A 50 81.019 -7.602 3.589 1.00 0.00 C ATOM 739 O ALA A 50 80.852 -8.790 3.375 1.00 0.00 O ATOM 740 CB ALA A 50 82.765 -6.902 1.936 1.00 0.00 C ATOM 0 H ALA A 50 82.950 -8.586 4.691 1.00 0.00 H new ATOM 0 HA ALA A 50 82.432 -5.994 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.039 -6.267 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 50 83.761 -6.473 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 50 82.748 -7.897 1.492 1.00 0.00 H new ATOM 746 N GLU A 51 80.022 -6.786 3.939 1.00 0.00 N ATOM 747 CA GLU A 51 78.657 -7.311 4.114 1.00 0.00 C ATOM 748 C GLU A 51 77.691 -6.181 4.463 1.00 0.00 C ATOM 749 O GLU A 51 78.034 -5.296 5.245 1.00 0.00 O ATOM 750 CB GLU A 51 78.644 -8.329 5.269 1.00 0.00 C ATOM 751 CG GLU A 51 77.287 -9.033 5.349 1.00 0.00 C ATOM 752 CD GLU A 51 77.139 -10.015 4.194 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.114 -10.222 3.490 1.00 0.00 O ATOM 754 OE2 GLU A 51 76.054 -10.545 4.032 1.00 0.00 O1- ATOM 0 H GLU A 51 80.124 -5.785 4.104 1.00 0.00 H new ATOM 0 HA GLU A 51 78.347 -7.783 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.434 -9.065 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.853 -7.822 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 51 77.197 -9.560 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.484 -8.297 5.316 1.00 0.00 H new ATOM 761 N VAL A 52 76.476 -6.207 3.901 1.00 0.00 N ATOM 762 CA VAL A 52 75.484 -5.173 4.189 1.00 0.00 C ATOM 763 C VAL A 52 74.607 -5.603 5.361 1.00 0.00 C ATOM 764 O VAL A 52 74.339 -6.790 5.548 1.00 0.00 O ATOM 765 CB VAL A 52 74.590 -4.941 2.962 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.816 -3.634 3.134 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.448 -4.869 1.694 1.00 0.00 C ATOM 0 H VAL A 52 76.162 -6.927 3.251 1.00 0.00 H new ATOM 0 HA VAL A 52 76.010 -4.252 4.439 1.00 0.00 H new ATOM 0 HB VAL A 52 73.888 -5.770 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.182 -3.470 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.196 -3.693 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.518 -2.806 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.806 -4.704 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.158 -4.046 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.992 -5.805 1.569 1.00 0.00 H new ATOM 777 N VAL A 53 74.156 -4.628 6.142 1.00 0.00 N ATOM 778 CA VAL A 53 73.299 -4.902 7.295 1.00 0.00 C ATOM 779 C VAL A 53 72.226 -3.818 7.408 1.00 0.00 C ATOM 780 O VAL A 53 72.447 -2.671 7.019 1.00 0.00 O ATOM 781 CB VAL A 53 74.151 -4.956 8.563 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.048 -3.724 8.608 1.00 0.00 C ATOM 783 CG2 VAL A 53 73.248 -5.001 9.803 1.00 0.00 C ATOM 0 H VAL A 53 74.368 -3.640 6.000 1.00 0.00 H new ATOM 0 HA VAL A 53 72.805 -5.865 7.166 1.00 0.00 H new ATOM 0 HB VAL A 53 74.767 -5.855 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.660 -3.753 9.509 1.00 0.00 H new ATOM 0 HG12 VAL A 53 75.694 -3.712 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 53 74.431 -2.825 8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 53 73.865 -5.039 10.701 1.00 0.00 H new ATOM 0 HG22 VAL A 53 72.622 -4.109 9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 53 72.615 -5.887 9.760 1.00 0.00 H new ATOM 793 N PHE A 54 71.050 -4.207 7.898 1.00 0.00 N ATOM 794 CA PHE A 54 69.912 -3.285 8.017 1.00 0.00 C ATOM 795 C PHE A 54 69.667 -2.794 9.449 1.00 0.00 C ATOM 796 O PHE A 54 69.785 -3.546 10.415 1.00 0.00 O ATOM 797 CB PHE A 54 68.642 -4.018 7.539 1.00 0.00 C ATOM 798 CG PHE A 54 68.503 -3.933 6.036 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.431 -4.572 5.207 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.434 -3.218 5.474 1.00 0.00 C ATOM 801 CE1 PHE A 54 69.293 -4.497 3.815 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.296 -3.146 4.086 1.00 0.00 C ATOM 803 CZ PHE A 54 68.224 -3.784 3.255 1.00 0.00 C ATOM 0 H PHE A 54 70.856 -5.155 8.221 1.00 0.00 H new ATOM 0 HA PHE A 54 70.145 -2.410 7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.683 -5.063 7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 54 67.764 -3.581 8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.253 -5.123 5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 54 66.719 -2.724 6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 54 70.010 -4.988 3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 54 66.472 -2.597 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 54 68.116 -3.727 2.182 1.00 0.00 H new ATOM 813 N PHE A 55 69.244 -1.532 9.547 1.00 0.00 N ATOM 814 CA PHE A 55 68.879 -0.921 10.824 1.00 0.00 C ATOM 815 C PHE A 55 67.647 -0.053 10.603 1.00 0.00 C ATOM 816 O PHE A 55 67.483 0.533 9.533 1.00 0.00 O ATOM 817 CB PHE A 55 70.008 -0.059 11.389 1.00 0.00 C ATOM 818 CG PHE A 55 71.143 -0.937 11.842 1.00 0.00 C ATOM 819 CD1 PHE A 55 71.141 -1.478 13.134 1.00 0.00 C ATOM 820 CD2 PHE A 55 72.198 -1.207 10.971 1.00 0.00 C ATOM 821 CE1 PHE A 55 72.200 -2.290 13.552 1.00 0.00 C ATOM 822 CE2 PHE A 55 73.256 -2.018 11.389 1.00 0.00 C ATOM 823 CZ PHE A 55 73.259 -2.561 12.678 1.00 0.00 C ATOM 0 H PHE A 55 69.146 -0.908 8.746 1.00 0.00 H new ATOM 0 HA PHE A 55 68.680 -1.715 11.544 1.00 0.00 H new ATOM 0 HB2 PHE A 55 70.358 0.641 10.630 1.00 0.00 H new ATOM 0 HB3 PHE A 55 69.640 0.536 12.225 1.00 0.00 H new ATOM 0 HD1 PHE A 55 70.322 -1.268 13.807 1.00 0.00 H new ATOM 0 HD2 PHE A 55 72.197 -0.790 9.975 1.00 0.00 H new ATOM 0 HE1 PHE A 55 72.201 -2.707 14.548 1.00 0.00 H new ATOM 0 HE2 PHE A 55 74.074 -2.226 10.715 1.00 0.00 H new ATOM 0 HZ PHE A 55 74.077 -3.189 12.998 1.00 0.00 H new ATOM 833 N GLU A 56 66.781 0.023 11.604 1.00 0.00 N ATOM 834 CA GLU A 56 65.566 0.823 11.485 1.00 0.00 C ATOM 835 C GLU A 56 64.757 0.397 10.261 1.00 0.00 C ATOM 836 O GLU A 56 64.085 1.216 9.633 1.00 0.00 O ATOM 837 CB GLU A 56 65.916 2.307 11.388 1.00 0.00 C ATOM 838 CG GLU A 56 66.464 2.792 12.730 1.00 0.00 C ATOM 839 CD GLU A 56 66.962 4.226 12.597 1.00 0.00 C ATOM 840 OE1 GLU A 56 66.883 4.757 11.502 1.00 0.00 O ATOM 841 OE2 GLU A 56 67.415 4.771 13.589 1.00 0.00 O1- ATOM 0 H GLU A 56 66.893 -0.453 12.499 1.00 0.00 H new ATOM 0 HA GLU A 56 64.961 0.659 12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.655 2.466 10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.032 2.883 11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.687 2.737 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 56 67.277 2.144 13.057 1.00 0.00 H new ATOM 848 N ASN A 57 64.837 -0.892 9.941 1.00 0.00 N ATOM 849 CA ASN A 57 64.120 -1.464 8.797 1.00 0.00 C ATOM 850 C ASN A 57 64.590 -0.893 7.458 1.00 0.00 C ATOM 851 O ASN A 57 63.786 -0.684 6.550 1.00 0.00 O ATOM 852 CB ASN A 57 62.616 -1.238 8.946 1.00 0.00 C ATOM 853 CG ASN A 57 62.140 -1.810 10.277 1.00 0.00 C ATOM 854 OD1 ASN A 57 62.435 -2.961 10.598 1.00 0.00 O ATOM 855 ND2 ASN A 57 61.416 -1.073 11.074 1.00 0.00 N ATOM 0 H ASN A 57 65.396 -1.568 10.461 1.00 0.00 H new ATOM 0 HA ASN A 57 64.340 -2.532 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 57 62.392 -0.172 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 57 62.084 -1.715 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 57 61.093 -1.450 11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 57 61.173 -0.119 10.806 1.00 0.00 H new ATOM 862 N GLY A 58 65.895 -0.675 7.327 1.00 0.00 N ATOM 863 CA GLY A 58 66.460 -0.167 6.073 1.00 0.00 C ATOM 864 C GLY A 58 66.431 1.349 5.999 1.00 0.00 C ATOM 865 O GLY A 58 66.953 1.943 5.058 1.00 0.00 O ATOM 0 H GLY A 58 66.580 -0.839 8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.489 -0.514 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.902 -0.580 5.232 1.00 0.00 H new ATOM 869 N LEU A 59 65.841 1.977 6.991 1.00 0.00 N ATOM 870 CA LEU A 59 65.786 3.425 7.013 1.00 0.00 C ATOM 871 C LEU A 59 67.200 3.974 7.157 1.00 0.00 C ATOM 872 O LEU A 59 67.473 5.129 6.826 1.00 0.00 O ATOM 873 CB LEU A 59 64.911 3.881 8.179 1.00 0.00 C ATOM 874 CG LEU A 59 64.415 5.326 7.948 1.00 0.00 C ATOM 875 CD1 LEU A 59 63.168 5.336 7.051 1.00 0.00 C ATOM 876 CD2 LEU A 59 64.068 5.964 9.295 1.00 0.00 C ATOM 0 H LEU A 59 65.397 1.517 7.785 1.00 0.00 H new ATOM 0 HA LEU A 59 65.353 3.800 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.059 3.210 8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.477 3.828 9.109 1.00 0.00 H new ATOM 0 HG LEU A 59 65.207 5.891 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.836 6.363 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.410 4.889 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.372 4.763 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.718 6.984 9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.284 5.383 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.954 5.980 9.929 1.00 0.00 H new ATOM 888 N ARG A 60 68.096 3.117 7.648 1.00 0.00 N ATOM 889 CA ARG A 60 69.496 3.491 7.834 1.00 0.00 C ATOM 890 C ARG A 60 70.403 2.282 7.586 1.00 0.00 C ATOM 891 O ARG A 60 70.700 1.512 8.501 1.00 0.00 O ATOM 892 CB ARG A 60 69.705 4.023 9.255 1.00 0.00 C ATOM 893 CG ARG A 60 71.139 4.536 9.407 1.00 0.00 C ATOM 894 CD ARG A 60 71.345 5.066 10.828 1.00 0.00 C ATOM 895 NE ARG A 60 72.638 5.731 10.938 1.00 0.00 N ATOM 896 CZ ARG A 60 73.158 6.030 12.128 1.00 0.00 C ATOM 897 NH1 ARG A 60 73.395 5.081 12.995 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 73.429 7.272 12.431 1.00 0.00 N ATOM 0 H ARG A 60 67.876 2.160 7.924 1.00 0.00 H new ATOM 0 HA ARG A 60 69.753 4.273 7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.997 4.826 9.461 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.512 3.234 9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.847 3.733 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 60 71.332 5.326 8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 60 70.547 5.764 11.082 1.00 0.00 H new ATOM 0 HD3 ARG A 60 71.289 4.244 11.542 1.00 0.00 H new ATOM 0 HE ARG A 60 73.153 5.971 10.091 1.00 0.00 H new ATOM 0 HH11 ARG A 60 73.182 4.111 12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 60 73.793 5.310 13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.243 8.014 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 60 73.827 7.499 13.342 1.00 0.00 H new ATOM 912 N HIS A 61 70.810 2.108 6.332 1.00 0.00 N ATOM 913 CA HIS A 61 71.656 0.978 5.952 1.00 0.00 C ATOM 914 C HIS A 61 73.126 1.241 6.274 1.00 0.00 C ATOM 915 O HIS A 61 73.680 2.275 5.891 1.00 0.00 O ATOM 916 CB HIS A 61 71.543 0.725 4.447 1.00 0.00 C ATOM 917 CG HIS A 61 70.138 0.346 4.075 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.289 1.222 3.415 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.426 -0.816 4.235 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.129 0.577 3.200 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.158 -0.667 3.680 1.00 0.00 N ATOM 0 H HIS A 61 70.569 2.733 5.562 1.00 0.00 H new ATOM 0 HA HIS A 61 71.313 0.114 6.520 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.840 1.620 3.900 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.229 -0.070 4.155 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.793 -1.710 4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.277 1.013 2.699 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.411 -1.361 3.647 1.00 0.00 H new ATOM 929 N LEU A 62 73.765 0.273 6.943 1.00 0.00 N ATOM 930 CA LEU A 62 75.191 0.373 7.274 1.00 0.00 C ATOM 931 C LEU A 62 75.959 -0.685 6.488 1.00 0.00 C ATOM 932 O LEU A 62 75.653 -1.873 6.570 1.00 0.00 O ATOM 933 CB LEU A 62 75.421 0.147 8.786 1.00 0.00 C ATOM 934 CG LEU A 62 75.275 1.462 9.554 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.860 2.032 9.371 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.550 1.213 11.041 1.00 0.00 C ATOM 0 H LEU A 62 73.318 -0.586 7.265 1.00 0.00 H new ATOM 0 HA LEU A 62 75.542 1.371 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.705 -0.583 9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.415 -0.268 8.950 1.00 0.00 H new ATOM 0 HG LEU A 62 75.993 2.185 9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 73.770 2.968 9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 62 73.676 2.216 8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.128 1.317 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 62 75.447 2.148 11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.836 0.485 11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.563 0.829 11.164 1.00 0.00 H new ATOM 948 N LEU A 63 76.959 -0.248 5.730 1.00 0.00 N ATOM 949 CA LEU A 63 77.779 -1.168 4.934 1.00 0.00 C ATOM 950 C LEU A 63 79.195 -1.216 5.491 1.00 0.00 C ATOM 951 O LEU A 63 79.959 -0.261 5.338 1.00 0.00 O ATOM 952 CB LEU A 63 77.793 -0.687 3.477 1.00 0.00 C ATOM 953 CG LEU A 63 78.938 -1.341 2.685 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.902 -2.870 2.863 1.00 0.00 C ATOM 955 CD2 LEU A 63 78.775 -0.987 1.205 1.00 0.00 C ATOM 0 H LEU A 63 77.224 0.733 5.647 1.00 0.00 H new ATOM 0 HA LEU A 63 77.359 -2.173 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.840 -0.923 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.902 0.397 3.450 1.00 0.00 H new ATOM 0 HG LEU A 63 79.895 -0.972 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.717 -3.321 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.013 -3.116 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.950 -3.256 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.581 -1.444 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.816 -1.360 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.812 0.096 1.084 1.00 0.00 H new ATOM 967 N LEU A 64 79.545 -2.317 6.156 1.00 0.00 N ATOM 968 CA LEU A 64 80.874 -2.444 6.741 1.00 0.00 C ATOM 969 C LEU A 64 81.922 -2.877 5.722 1.00 0.00 C ATOM 970 O LEU A 64 81.643 -3.578 4.740 1.00 0.00 O ATOM 971 CB LEU A 64 80.858 -3.458 7.901 1.00 0.00 C ATOM 972 CG LEU A 64 80.460 -2.779 9.220 1.00 0.00 C ATOM 973 CD1 LEU A 64 81.538 -1.769 9.677 1.00 0.00 C ATOM 974 CD2 LEU A 64 79.105 -2.076 9.053 1.00 0.00 C ATOM 0 H LEU A 64 78.935 -3.122 6.300 1.00 0.00 H new ATOM 0 HA LEU A 64 81.146 -1.454 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.158 -4.262 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 64 81.843 -3.913 8.005 1.00 0.00 H new ATOM 0 HG LEU A 64 80.375 -3.546 9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.228 -1.305 10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.484 -2.289 9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.663 -1.000 8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 64 78.826 -1.596 9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.180 -1.323 8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 64 78.346 -2.809 8.781 1.00 0.00 H new ATOM 986 N LEU A 65 83.138 -2.462 6.043 1.00 0.00 N ATOM 987 CA LEU A 65 84.343 -2.762 5.268 1.00 0.00 C ATOM 988 C LEU A 65 85.469 -3.040 6.256 1.00 0.00 C ATOM 989 O LEU A 65 85.368 -2.643 7.420 1.00 0.00 O ATOM 990 CB LEU A 65 84.710 -1.592 4.358 1.00 0.00 C ATOM 991 CG LEU A 65 83.739 -1.503 3.167 1.00 0.00 C ATOM 992 CD1 LEU A 65 83.995 -0.197 2.412 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.940 -2.700 2.211 1.00 0.00 C ATOM 0 H LEU A 65 83.324 -1.893 6.869 1.00 0.00 H new ATOM 0 HA LEU A 65 84.171 -3.628 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.684 -0.662 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.730 -1.714 3.994 1.00 0.00 H new ATOM 0 HG LEU A 65 82.715 -1.526 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.311 -0.126 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.834 0.648 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.023 -0.182 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 65 83.245 -2.619 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.963 -2.697 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.755 -3.630 2.748 1.00 0.00 H new ATOM 1005 N LYS A 66 86.564 -3.659 5.804 1.00 0.00 N ATOM 1006 CA LYS A 66 87.695 -3.936 6.695 1.00 0.00 C ATOM 1007 C LYS A 66 88.983 -4.103 5.882 1.00 0.00 C ATOM 1008 O LYS A 66 88.952 -4.111 4.650 1.00 0.00 O ATOM 1009 CB LYS A 66 87.459 -5.230 7.493 1.00 0.00 C ATOM 1010 CG LYS A 66 86.265 -5.093 8.452 1.00 0.00 C ATOM 1011 CD LYS A 66 86.147 -6.378 9.273 1.00 0.00 C ATOM 1012 CE LYS A 66 84.967 -6.279 10.243 1.00 0.00 C ATOM 1013 NZ LYS A 66 84.881 -7.534 11.040 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.691 -3.974 4.842 1.00 0.00 H new ATOM 0 HA LYS A 66 87.788 -3.094 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.280 -6.056 6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.356 -5.477 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.405 -4.235 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.347 -4.917 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 66 86.011 -7.231 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.070 -6.550 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.096 -5.422 10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 66 84.040 -6.120 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 83.925 -7.934 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 85.576 -8.221 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.083 -7.325 12.039 1.00 0.00 H new ATOM 1027 N ASN A 67 90.108 -4.275 6.587 1.00 0.00 N ATOM 1028 CA ASN A 67 91.408 -4.486 5.931 1.00 0.00 C ATOM 1029 C ASN A 67 91.511 -3.659 4.655 1.00 0.00 C ATOM 1030 O ASN A 67 91.828 -4.185 3.588 1.00 0.00 O ATOM 1031 CB ASN A 67 91.573 -5.968 5.587 1.00 0.00 C ATOM 1032 CG ASN A 67 91.626 -6.796 6.865 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.551 -6.652 7.663 1.00 0.00 O ATOM 1034 ND2 ASN A 67 90.682 -7.664 7.108 1.00 0.00 N ATOM 0 H ASN A 67 90.147 -4.273 7.606 1.00 0.00 H new ATOM 0 HA ASN A 67 92.195 -4.172 6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.743 -6.300 4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.485 -6.117 5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 67 90.711 -8.224 7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.915 -7.783 6.446 1.00 0.00 H new ATOM 1041 N LEU A 68 91.186 -2.380 4.756 1.00 0.00 N ATOM 1042 CA LEU A 68 91.186 -1.519 3.581 1.00 0.00 C ATOM 1043 C LEU A 68 92.556 -1.397 2.924 1.00 0.00 C ATOM 1044 O LEU A 68 93.442 -0.707 3.418 1.00 0.00 O ATOM 1045 CB LEU A 68 90.715 -0.126 3.978 1.00 0.00 C ATOM 1046 CG LEU A 68 89.244 -0.166 4.397 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.865 1.199 4.981 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.347 -0.493 3.179 1.00 0.00 C ATOM 0 H LEU A 68 90.922 -1.918 5.626 1.00 0.00 H new ATOM 0 HA LEU A 68 90.514 -1.979 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.325 0.252 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.844 0.562 3.142 1.00 0.00 H new ATOM 0 HG LEU A 68 89.096 -0.944 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.818 1.187 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.492 1.411 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 68 89.015 1.972 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.303 -0.518 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.478 0.273 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.627 -1.464 2.771 1.00 0.00 H new ATOM 1060 N ARG A 69 92.696 -2.044 1.773 1.00 0.00 N ATOM 1061 CA ARG A 69 93.937 -1.999 1.000 1.00 0.00 C ATOM 1062 C ARG A 69 93.791 -0.963 -0.117 1.00 0.00 C ATOM 1063 O ARG A 69 92.671 -0.652 -0.528 1.00 0.00 O ATOM 1064 CB ARG A 69 94.226 -3.395 0.406 1.00 0.00 C ATOM 1065 CG ARG A 69 92.905 -4.121 0.126 1.00 0.00 C ATOM 1066 CD ARG A 69 93.174 -5.462 -0.565 1.00 0.00 C ATOM 1067 NE ARG A 69 91.966 -5.911 -1.257 1.00 0.00 N ATOM 1068 CZ ARG A 69 91.654 -7.198 -1.355 1.00 0.00 C ATOM 1069 NH1 ARG A 69 91.467 -7.909 -0.278 1.00 0.00 N ATOM 1070 NH2 ARG A 69 91.528 -7.748 -2.530 1.00 0.00 N1+ ATOM 0 H ARG A 69 91.961 -2.611 1.350 1.00 0.00 H new ATOM 0 HA ARG A 69 94.769 -1.716 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.801 -3.297 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.832 -3.978 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 69 92.367 -4.286 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.267 -3.501 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 69 93.994 -5.358 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.481 -6.206 0.170 1.00 0.00 H new ATOM 0 HE ARG A 69 91.347 -5.217 -1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 69 91.560 -7.477 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 69 91.227 -8.897 -0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 69 91.669 -7.190 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 69 91.288 -8.736 -2.607 1.00 0.00 H new ATOM 1084 N PRO A 70 94.876 -0.417 -0.615 1.00 0.00 N ATOM 1085 CA PRO A 70 94.802 0.598 -1.699 1.00 0.00 C ATOM 1086 C PRO A 70 93.983 0.055 -2.867 1.00 0.00 C ATOM 1087 O PRO A 70 93.243 0.788 -3.523 1.00 0.00 O ATOM 1088 CB PRO A 70 96.271 0.859 -2.112 1.00 0.00 C ATOM 1089 CG PRO A 70 97.141 -0.041 -1.262 1.00 0.00 C ATOM 1090 CD PRO A 70 96.254 -0.701 -0.194 1.00 0.00 C ATOM 0 HA PRO A 70 94.313 1.518 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.417 0.646 -3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.534 1.906 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.620 -0.800 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.937 0.535 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.436 -1.774 -0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.457 -0.291 0.795 1.00 0.00 H new ATOM 1098 N GLN A 71 94.129 -1.240 -3.105 1.00 0.00 N ATOM 1099 CA GLN A 71 93.404 -1.892 -4.183 1.00 0.00 C ATOM 1100 C GLN A 71 91.914 -1.622 -4.039 1.00 0.00 C ATOM 1101 O GLN A 71 91.262 -1.194 -4.991 1.00 0.00 O ATOM 1102 CB GLN A 71 93.677 -3.398 -4.140 1.00 0.00 C ATOM 1103 CG GLN A 71 92.853 -4.120 -5.209 1.00 0.00 C ATOM 1104 CD GLN A 71 93.283 -5.583 -5.275 1.00 0.00 C ATOM 1105 OE1 GLN A 71 93.195 -6.302 -4.278 1.00 0.00 O ATOM 1106 NE2 GLN A 71 93.753 -6.067 -6.391 1.00 0.00 N ATOM 0 H GLN A 71 94.740 -1.857 -2.569 1.00 0.00 H new ATOM 0 HA GLN A 71 93.739 -1.496 -5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.738 -3.586 -4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.430 -3.791 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.791 -4.052 -4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 71 92.996 -3.643 -6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 71 93.825 -5.471 -7.215 1.00 0.00 H new ATOM 0 HE22 GLN A 71 94.048 -7.042 -6.440 1.00 0.00 H new ATOM 1115 N ASP A 72 91.366 -1.903 -2.859 1.00 0.00 N ATOM 1116 CA ASP A 72 89.943 -1.717 -2.627 1.00 0.00 C ATOM 1117 C ASP A 72 89.449 -0.390 -3.181 1.00 0.00 C ATOM 1118 O ASP A 72 88.367 -0.346 -3.769 1.00 0.00 O ATOM 1119 CB ASP A 72 89.664 -1.766 -1.125 1.00 0.00 C ATOM 1120 CG ASP A 72 88.177 -1.567 -0.859 1.00 0.00 C ATOM 1121 OD1 ASP A 72 87.416 -1.574 -1.813 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 87.819 -1.409 0.297 1.00 0.00 O ATOM 0 H ASP A 72 91.885 -2.258 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 72 89.413 -2.518 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 72 89.989 -2.724 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.239 -0.992 -0.616 1.00 0.00 H new ATOM 1127 N SER A 73 90.215 0.694 -3.007 1.00 0.00 N ATOM 1128 CA SER A 73 89.795 1.998 -3.520 1.00 0.00 C ATOM 1129 C SER A 73 89.126 1.853 -4.878 1.00 0.00 C ATOM 1130 O SER A 73 89.765 1.485 -5.865 1.00 0.00 O ATOM 1131 CB SER A 73 91.007 2.919 -3.650 1.00 0.00 C ATOM 1132 OG SER A 73 91.651 3.026 -2.388 1.00 0.00 O ATOM 0 H SER A 73 91.113 0.693 -2.523 1.00 0.00 H new ATOM 0 HA SER A 73 89.079 2.427 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.700 2.525 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.695 3.904 -3.997 1.00 0.00 H new ATOM 0 HG SER A 73 92.364 2.356 -2.327 1.00 0.00 H new ATOM 1138 N CYS A 74 87.829 2.115 -4.906 1.00 0.00 N ATOM 1139 CA CYS A 74 87.061 1.982 -6.137 1.00 0.00 C ATOM 1140 C CYS A 74 85.766 2.781 -6.076 1.00 0.00 C ATOM 1141 O CYS A 74 85.518 3.527 -5.129 1.00 0.00 O ATOM 1142 CB CYS A 74 86.735 0.508 -6.374 1.00 0.00 C ATOM 1143 SG CYS A 74 85.529 -0.045 -5.140 1.00 0.00 S ATOM 0 H CYS A 74 87.287 2.419 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 74 87.664 2.374 -6.957 1.00 0.00 H new ATOM 0 HB2 CYS A 74 86.335 0.369 -7.378 1.00 0.00 H new ATOM 0 HB3 CYS A 74 87.642 -0.092 -6.307 1.00 0.00 H new ATOM 0 HG CYS A 74 86.149 -0.386 -4.050 1.00 0.00 H new ATOM 1149 N ARG A 75 84.945 2.613 -7.103 1.00 0.00 N ATOM 1150 CA ARG A 75 83.674 3.311 -7.184 1.00 0.00 C ATOM 1151 C ARG A 75 82.604 2.608 -6.359 1.00 0.00 C ATOM 1152 O ARG A 75 82.474 1.384 -6.406 1.00 0.00 O ATOM 1153 CB ARG A 75 83.219 3.351 -8.641 1.00 0.00 C ATOM 1154 CG ARG A 75 81.921 4.149 -8.771 1.00 0.00 C ATOM 1155 CD ARG A 75 81.445 4.080 -10.216 1.00 0.00 C ATOM 1156 NE ARG A 75 82.379 4.778 -11.089 1.00 0.00 N ATOM 1157 CZ ARG A 75 82.258 4.712 -12.410 1.00 0.00 C ATOM 1158 NH1 ARG A 75 81.074 4.729 -12.957 1.00 0.00 N ATOM 1159 NH2 ARG A 75 83.323 4.627 -13.160 1.00 0.00 N1+ ATOM 0 H ARG A 75 85.139 1.997 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 75 83.812 4.319 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 75 83.995 3.803 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.068 2.336 -9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.161 3.744 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.084 5.186 -8.477 1.00 0.00 H new ATOM 0 HD2 ARG A 75 81.354 3.039 -10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 75 80.454 4.526 -10.301 1.00 0.00 H new ATOM 0 HE ARG A 75 83.137 5.325 -10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 75 80.242 4.793 -12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 75 80.980 4.678 -13.971 1.00 0.00 H new ATOM 0 HH21 ARG A 75 84.249 4.611 -12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 75 83.230 4.576 -14.174 1.00 0.00 H new ATOM 1173 N VAL A 76 81.812 3.396 -5.633 1.00 0.00 N ATOM 1174 CA VAL A 76 80.716 2.856 -4.833 1.00 0.00 C ATOM 1175 C VAL A 76 79.395 3.272 -5.470 1.00 0.00 C ATOM 1176 O VAL A 76 79.096 4.463 -5.563 1.00 0.00 O ATOM 1177 CB VAL A 76 80.800 3.384 -3.401 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.700 2.745 -2.549 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.169 3.024 -2.819 1.00 0.00 C ATOM 0 H VAL A 76 81.910 4.410 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 76 80.783 1.769 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 76 80.669 4.466 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.763 3.124 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.725 2.993 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.828 1.663 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.239 3.396 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.291 1.941 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.953 3.478 -3.425 1.00 0.00 H new ATOM 1189 N THR A 77 78.616 2.292 -5.935 1.00 0.00 N ATOM 1190 CA THR A 77 77.340 2.582 -6.596 1.00 0.00 C ATOM 1191 C THR A 77 76.192 1.779 -5.995 1.00 0.00 C ATOM 1192 O THR A 77 76.282 0.561 -5.848 1.00 0.00 O ATOM 1193 CB THR A 77 77.451 2.231 -8.079 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.525 2.954 -8.662 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.147 2.589 -8.787 1.00 0.00 C ATOM 0 H THR A 77 78.843 1.300 -5.867 1.00 0.00 H new ATOM 0 HA THR A 77 77.129 3.642 -6.457 1.00 0.00 H new ATOM 0 HB THR A 77 77.638 1.162 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.595 2.726 -9.612 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.227 2.338 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.325 2.028 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.956 3.657 -8.680 1.00 0.00 H new ATOM 1203 N PHE A 78 75.100 2.470 -5.671 1.00 0.00 N ATOM 1204 CA PHE A 78 73.913 1.822 -5.109 1.00 0.00 C ATOM 1205 C PHE A 78 72.667 2.382 -5.806 1.00 0.00 C ATOM 1206 O PHE A 78 72.471 3.597 -5.852 1.00 0.00 O ATOM 1207 CB PHE A 78 73.878 2.075 -3.594 1.00 0.00 C ATOM 1208 CG PHE A 78 72.569 1.610 -2.986 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.139 0.287 -3.159 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.797 2.497 -2.222 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.943 -0.144 -2.576 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.604 2.062 -1.636 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.178 0.740 -1.813 1.00 0.00 C ATOM 0 H PHE A 78 75.011 3.479 -5.788 1.00 0.00 H new ATOM 0 HA PHE A 78 73.940 0.745 -5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.708 1.554 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 78 74.015 3.138 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.732 -0.401 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 78 72.124 3.517 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.611 -1.162 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 78 70.011 2.746 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.257 0.404 -1.359 1.00 0.00 H new ATOM 1223 N LEU A 79 71.852 1.496 -6.394 1.00 0.00 N ATOM 1224 CA LEU A 79 70.657 1.929 -7.141 1.00 0.00 C ATOM 1225 C LEU A 79 69.354 1.493 -6.472 1.00 0.00 C ATOM 1226 O LEU A 79 68.876 0.377 -6.686 1.00 0.00 O ATOM 1227 CB LEU A 79 70.709 1.325 -8.555 1.00 0.00 C ATOM 1228 CG LEU A 79 69.747 2.063 -9.509 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.112 1.712 -10.953 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.282 1.657 -9.241 1.00 0.00 C ATOM 0 H LEU A 79 71.993 0.486 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 79 70.666 3.019 -7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.726 1.384 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.445 0.268 -8.513 1.00 0.00 H new ATOM 0 HG LEU A 79 69.843 3.136 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.437 2.229 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.138 2.021 -11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.021 0.636 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 79 67.625 2.192 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.168 0.584 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 79 68.017 1.909 -8.214 1.00 0.00 H new ATOM 1242 N ALA A 80 68.774 2.392 -5.676 1.00 0.00 N ATOM 1243 CA ALA A 80 67.507 2.118 -4.993 1.00 0.00 C ATOM 1244 C ALA A 80 66.366 2.857 -5.684 1.00 0.00 C ATOM 1245 O ALA A 80 66.084 4.010 -5.361 1.00 0.00 O ATOM 1246 CB ALA A 80 67.588 2.587 -3.544 1.00 0.00 C ATOM 0 H ALA A 80 69.161 3.317 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 80 67.321 1.045 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.643 2.381 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.393 2.057 -3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.786 3.659 -3.519 1.00 0.00 H new ATOM 1252 N GLY A 81 65.708 2.188 -6.628 1.00 0.00 N ATOM 1253 CA GLY A 81 64.593 2.797 -7.352 1.00 0.00 C ATOM 1254 C GLY A 81 64.984 4.162 -7.907 1.00 0.00 C ATOM 1255 O GLY A 81 66.169 4.468 -8.036 1.00 0.00 O ATOM 0 H GLY A 81 65.925 1.232 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.284 2.143 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.736 2.903 -6.686 1.00 0.00 H new ATOM 1259 N ASP A 82 63.982 4.974 -8.251 1.00 0.00 N ATOM 1260 CA ASP A 82 64.233 6.300 -8.811 1.00 0.00 C ATOM 1261 C ASP A 82 65.312 7.042 -8.024 1.00 0.00 C ATOM 1262 O ASP A 82 65.816 8.072 -8.470 1.00 0.00 O ATOM 1263 CB ASP A 82 62.937 7.126 -8.789 1.00 0.00 C ATOM 1264 CG ASP A 82 61.958 6.599 -9.833 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.347 5.736 -10.601 1.00 0.00 O ATOM 1266 OD2 ASP A 82 60.833 7.074 -9.853 1.00 0.00 O1- ATOM 0 H ASP A 82 62.995 4.737 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 82 64.580 6.170 -9.836 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.484 7.079 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.162 8.174 -8.987 1.00 0.00 H new ATOM 1271 N MET A 83 65.667 6.516 -6.853 1.00 0.00 N ATOM 1272 CA MET A 83 66.693 7.147 -6.015 1.00 0.00 C ATOM 1273 C MET A 83 68.043 6.454 -6.185 1.00 0.00 C ATOM 1274 O MET A 83 68.155 5.244 -5.985 1.00 0.00 O ATOM 1275 CB MET A 83 66.281 7.083 -4.545 1.00 0.00 C ATOM 1276 CG MET A 83 64.810 7.484 -4.401 1.00 0.00 C ATOM 1277 SD MET A 83 64.459 7.880 -2.669 1.00 0.00 S ATOM 1278 CE MET A 83 64.613 6.216 -1.974 1.00 0.00 C ATOM 0 H MET A 83 65.266 5.663 -6.463 1.00 0.00 H new ATOM 0 HA MET A 83 66.788 8.186 -6.329 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.432 6.075 -4.159 1.00 0.00 H new ATOM 0 HB3 MET A 83 66.909 7.749 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.593 8.345 -5.033 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.166 6.671 -4.737 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.775 6.022 -1.305 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.610 5.483 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 83 65.547 6.139 -1.417 1.00 0.00 H new ATOM 1288 N VAL A 84 69.072 7.225 -6.558 1.00 0.00 N ATOM 1289 CA VAL A 84 70.415 6.669 -6.754 1.00 0.00 C ATOM 1290 C VAL A 84 71.466 7.492 -6.009 1.00 0.00 C ATOM 1291 O VAL A 84 71.502 8.717 -6.117 1.00 0.00 O ATOM 1292 CB VAL A 84 70.749 6.652 -8.250 1.00 0.00 C ATOM 1293 CG1 VAL A 84 69.576 6.046 -9.024 1.00 0.00 C ATOM 1294 CG2 VAL A 84 71.004 8.080 -8.751 1.00 0.00 C ATOM 0 H VAL A 84 69.001 8.228 -6.729 1.00 0.00 H new ATOM 0 HA VAL A 84 70.427 5.654 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 84 71.646 6.054 -8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 84 69.811 6.033 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.399 5.027 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 84 68.681 6.646 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 84 71.240 8.056 -9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 84 70.112 8.686 -8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 84 71.841 8.514 -8.203 1.00 0.00 H new ATOM 1304 N THR A 85 72.326 6.807 -5.256 1.00 0.00 N ATOM 1305 CA THR A 85 73.389 7.470 -4.497 1.00 0.00 C ATOM 1306 C THR A 85 74.739 6.867 -4.889 1.00 0.00 C ATOM 1307 O THR A 85 74.850 5.652 -5.049 1.00 0.00 O ATOM 1308 CB THR A 85 73.148 7.273 -2.991 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.789 6.078 -2.569 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.646 7.155 -2.722 1.00 0.00 C ATOM 0 H THR A 85 72.308 5.792 -5.154 1.00 0.00 H new ATOM 0 HA THR A 85 73.389 8.537 -4.721 1.00 0.00 H new ATOM 0 HB THR A 85 73.551 8.126 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.295 5.690 -1.817 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.477 7.015 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.145 8.065 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.245 6.301 -3.267 1.00 0.00 H new ATOM 1318 N SER A 86 75.762 7.708 -5.053 1.00 0.00 N ATOM 1319 CA SER A 86 77.090 7.211 -5.432 1.00 0.00 C ATOM 1320 C SER A 86 78.190 8.160 -4.973 1.00 0.00 C ATOM 1321 O SER A 86 78.074 9.378 -5.114 1.00 0.00 O ATOM 1322 CB SER A 86 77.179 7.057 -6.953 1.00 0.00 C ATOM 1323 OG SER A 86 76.092 6.271 -7.414 1.00 0.00 O ATOM 0 H SER A 86 75.702 8.719 -4.932 1.00 0.00 H new ATOM 0 HA SER A 86 77.230 6.246 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.161 8.037 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.123 6.587 -7.227 1.00 0.00 H new ATOM 0 HG SER A 86 76.148 6.174 -8.388 1.00 0.00 H new ATOM 1329 N ALA A 87 79.260 7.589 -4.423 1.00 0.00 N ATOM 1330 CA ALA A 87 80.390 8.381 -3.942 1.00 0.00 C ATOM 1331 C ALA A 87 81.694 7.604 -4.105 1.00 0.00 C ATOM 1332 O ALA A 87 81.689 6.386 -4.267 1.00 0.00 O ATOM 1333 CB ALA A 87 80.189 8.752 -2.475 1.00 0.00 C ATOM 0 H ALA A 87 79.368 6.582 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 87 80.447 9.294 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.038 9.342 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.275 9.336 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.111 7.844 -1.877 1.00 0.00 H new ATOM 1339 N PHE A 88 82.804 8.328 -4.104 1.00 0.00 N ATOM 1340 CA PHE A 88 84.113 7.718 -4.296 1.00 0.00 C ATOM 1341 C PHE A 88 84.682 7.128 -3.004 1.00 0.00 C ATOM 1342 O PHE A 88 84.203 7.403 -1.901 1.00 0.00 O ATOM 1343 CB PHE A 88 85.075 8.776 -4.829 1.00 0.00 C ATOM 1344 CG PHE A 88 84.496 9.390 -6.081 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.698 8.775 -7.324 1.00 0.00 C ATOM 1346 CD2 PHE A 88 83.755 10.577 -6.000 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.158 9.347 -8.483 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.217 11.147 -7.159 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.419 10.533 -8.400 1.00 0.00 C ATOM 0 H PHE A 88 82.825 9.339 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 88 83.996 6.898 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.241 9.546 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.045 8.327 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.270 7.861 -7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.599 11.052 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.312 8.873 -9.441 1.00 0.00 H new ATOM 0 HE2 PHE A 88 82.646 12.061 -7.096 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.005 10.974 -9.294 1.00 0.00 H new ATOM 1359 N LEU A 89 85.742 6.335 -3.173 1.00 0.00 N ATOM 1360 CA LEU A 89 86.450 5.704 -2.058 1.00 0.00 C ATOM 1361 C LEU A 89 87.938 6.000 -2.189 1.00 0.00 C ATOM 1362 O LEU A 89 88.490 5.950 -3.287 1.00 0.00 O ATOM 1363 CB LEU A 89 86.227 4.185 -2.076 1.00 0.00 C ATOM 1364 CG LEU A 89 87.039 3.508 -0.955 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.627 4.070 0.415 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.785 1.997 -0.996 1.00 0.00 C ATOM 0 H LEU A 89 86.134 6.112 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 89 86.069 6.102 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.167 3.965 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.523 3.779 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 89 88.100 3.708 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.208 3.583 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.814 5.144 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.566 3.883 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.356 1.510 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.723 1.802 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.095 1.602 -1.963 1.00 0.00 H new ATOM 1378 N THR A 90 88.591 6.302 -1.070 1.00 0.00 N ATOM 1379 CA THR A 90 90.026 6.596 -1.090 1.00 0.00 C ATOM 1380 C THR A 90 90.727 5.963 0.103 1.00 0.00 C ATOM 1381 O THR A 90 90.338 6.182 1.251 1.00 0.00 O ATOM 1382 CB THR A 90 90.249 8.106 -1.065 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.551 8.667 0.037 1.00 0.00 O ATOM 1384 CG2 THR A 90 89.735 8.717 -2.372 1.00 0.00 C ATOM 0 H THR A 90 88.159 6.350 -0.147 1.00 0.00 H new ATOM 0 HA THR A 90 90.445 6.177 -2.005 1.00 0.00 H new ATOM 0 HB THR A 90 91.313 8.319 -0.963 1.00 0.00 H new ATOM 0 HG1 THR A 90 88.937 8.000 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 90 89.893 9.795 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 90 90.275 8.283 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 90 88.670 8.508 -2.477 1.00 0.00 H new ATOM 1392 N VAL A 91 91.776 5.185 -0.173 1.00 0.00 N ATOM 1393 CA VAL A 91 92.548 4.530 0.893 1.00 0.00 C ATOM 1394 C VAL A 91 94.053 4.629 0.613 1.00 0.00 C ATOM 1395 O VAL A 91 94.510 4.235 -0.460 1.00 0.00 O ATOM 1396 CB VAL A 91 92.142 3.048 0.977 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.094 2.283 1.908 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.712 2.928 1.518 1.00 0.00 C ATOM 0 H VAL A 91 92.111 4.992 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 91 92.335 5.031 1.837 1.00 0.00 H new ATOM 0 HB VAL A 91 92.196 2.620 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.793 1.237 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.112 2.350 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 91 93.054 2.718 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.431 1.876 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.661 3.371 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.026 3.451 0.852 1.00 0.00 H new ATOM 1408 N ARG A 92 94.824 5.160 1.572 1.00 0.00 N ATOM 1409 CA ARG A 92 96.273 5.301 1.387 1.00 0.00 C ATOM 1410 C ARG A 92 97.034 4.103 1.948 1.00 0.00 C ATOM 1411 O ARG A 92 96.808 3.687 3.083 1.00 0.00 O ATOM 1412 CB ARG A 92 96.769 6.562 2.098 1.00 0.00 C ATOM 1413 CG ARG A 92 96.142 7.799 1.459 1.00 0.00 C ATOM 1414 CD ARG A 92 96.647 9.052 2.175 1.00 0.00 C ATOM 1415 NE ARG A 92 96.084 9.139 3.519 1.00 0.00 N ATOM 1416 CZ ARG A 92 96.448 10.108 4.353 1.00 0.00 C ATOM 1417 NH1 ARG A 92 97.710 10.387 4.515 1.00 0.00 N ATOM 1418 NH2 ARG A 92 95.544 10.782 5.010 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.475 5.494 2.470 1.00 0.00 H new ATOM 0 HA ARG A 92 96.457 5.365 0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.512 6.518 3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.856 6.621 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.397 7.844 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 92 95.055 7.743 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 92 97.735 9.031 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.375 9.939 1.603 1.00 0.00 H new ATOM 0 HE ARG A 92 95.401 8.445 3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 92 98.418 9.862 4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 92 97.990 11.130 5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 92 94.555 10.566 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 92 95.826 11.525 5.649 1.00 0.00 H new ATOM 1432 N GLY A 93 97.946 3.565 1.140 1.00 0.00 N ATOM 1433 CA GLY A 93 98.754 2.422 1.554 1.00 0.00 C ATOM 1434 C GLY A 93 100.013 2.311 0.696 1.00 0.00 C ATOM 1435 O GLY A 93 99.932 2.123 -0.517 1.00 0.00 O ATOM 0 H GLY A 93 98.143 3.902 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 93 99.031 2.527 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 93 98.168 1.507 1.469 1.00 0.00 H new ATOM 1439 N GLY A 94 101.176 2.429 1.335 1.00 0.00 N ATOM 1440 CA GLY A 94 102.447 2.342 0.616 1.00 0.00 C ATOM 1441 C GLY A 94 102.820 0.886 0.345 1.00 0.00 C ATOM 1442 O GLY A 94 102.041 -0.022 0.632 1.00 0.00 O ATOM 0 H GLY A 94 101.265 2.584 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.374 2.885 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 94 103.233 2.821 1.200 1.00 0.00 H new ATOM 1446 N LEU A 95 104.016 0.666 -0.211 1.00 0.00 N ATOM 1447 CA LEU A 95 104.479 -0.692 -0.517 1.00 0.00 C ATOM 1448 C LEU A 95 105.587 -1.107 0.446 1.00 0.00 C ATOM 1449 O LEU A 95 106.611 -0.428 0.563 1.00 0.00 O ATOM 1450 CB LEU A 95 105.020 -0.770 -1.957 1.00 0.00 C ATOM 1451 CG LEU A 95 104.002 -0.209 -2.973 1.00 0.00 C ATOM 1452 CD1 LEU A 95 102.613 -0.808 -2.720 1.00 0.00 C ATOM 1453 CD2 LEU A 95 103.929 1.333 -2.895 1.00 0.00 C ATOM 0 H LEU A 95 104.676 1.404 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 95 103.628 -1.365 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 95 105.953 -0.210 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 95 105.250 -1.806 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 95 104.338 -0.488 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 95 101.905 -0.404 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 95 102.660 -1.892 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 95 102.286 -0.555 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 95 103.204 1.700 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 95 103.622 1.632 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 95 104.909 1.755 -3.115 1.00 0.00 H new ATOM 1465 N GLU A 96 105.381 -2.234 1.126 1.00 0.00 N ATOM 1466 CA GLU A 96 106.372 -2.742 2.069 1.00 0.00 C ATOM 1467 C GLU A 96 107.485 -3.466 1.315 1.00 0.00 C ATOM 1468 O GLU A 96 107.239 -4.468 0.642 1.00 0.00 O ATOM 1469 CB GLU A 96 105.714 -3.700 3.071 1.00 0.00 C ATOM 1470 CG GLU A 96 106.756 -4.167 4.094 1.00 0.00 C ATOM 1471 CD GLU A 96 106.111 -5.087 5.124 1.00 0.00 C ATOM 1472 OE1 GLU A 96 104.893 -5.137 5.166 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 106.847 -5.733 5.853 1.00 0.00 O ATOM 0 H GLU A 96 104.542 -2.808 1.042 1.00 0.00 H new ATOM 0 HA GLU A 96 106.797 -1.900 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 96 104.889 -3.201 3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 96 105.293 -4.558 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 96 107.566 -4.690 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 96 107.198 -3.304 4.593 1.00 0.00 H new ATOM 1480 N HIS A 97 108.708 -2.954 1.428 1.00 0.00 N ATOM 1481 CA HIS A 97 109.845 -3.565 0.744 1.00 0.00 C ATOM 1482 C HIS A 97 111.166 -3.180 1.405 1.00 0.00 C ATOM 1483 O HIS A 97 112.228 -3.642 0.991 1.00 0.00 O ATOM 1484 CB HIS A 97 109.869 -3.123 -0.719 1.00 0.00 C ATOM 1485 CG HIS A 97 110.991 -3.824 -1.432 1.00 0.00 C ATOM 1486 ND1 HIS A 97 110.930 -5.167 -1.767 1.00 0.00 N ATOM 1487 CD2 HIS A 97 112.212 -3.380 -1.877 1.00 0.00 C ATOM 1488 CE1 HIS A 97 112.081 -5.481 -2.388 1.00 0.00 C ATOM 1489 NE2 HIS A 97 112.899 -4.429 -2.481 1.00 0.00 N ATOM 0 H HIS A 97 108.936 -2.127 1.980 1.00 0.00 H new ATOM 0 HA HIS A 97 109.729 -4.647 0.807 1.00 0.00 H new ATOM 0 HB2 HIS A 97 108.917 -3.356 -1.197 1.00 0.00 H new ATOM 0 HB3 HIS A 97 110.001 -2.043 -0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 97 112.583 -2.371 -1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 97 112.316 -6.465 -2.766 1.00 0.00 H new ATOM 0 HE2 HIS A 97 113.827 -4.401 -2.904 1.00 0.00 H new ATOM 1497 N HIS A 98 111.103 -2.324 2.426 1.00 0.00 N ATOM 1498 CA HIS A 98 112.316 -1.883 3.122 1.00 0.00 C ATOM 1499 C HIS A 98 112.079 -1.809 4.628 1.00 0.00 C ATOM 1500 O HIS A 98 112.945 -1.365 5.381 1.00 0.00 O ATOM 1501 CB HIS A 98 112.739 -0.509 2.593 1.00 0.00 C ATOM 1502 CG HIS A 98 114.102 -0.158 3.127 1.00 0.00 C ATOM 1503 ND1 HIS A 98 114.276 0.673 4.224 1.00 0.00 N ATOM 1504 CD2 HIS A 98 115.366 -0.519 2.728 1.00 0.00 C ATOM 1505 CE1 HIS A 98 115.599 0.780 4.447 1.00 0.00 C ATOM 1506 NE2 HIS A 98 116.309 0.074 3.563 1.00 0.00 N ATOM 0 H HIS A 98 110.236 -1.925 2.787 1.00 0.00 H new ATOM 0 HA HIS A 98 113.109 -2.607 2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 98 112.756 -0.518 1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 98 112.014 0.247 2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 98 115.594 -1.165 1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 98 116.034 1.365 5.244 1.00 0.00 H new ATOM 0 HE2 HIS A 98 117.324 -0.012 3.511 1.00 0.00 H new ATOM 1514 N HIS A 99 110.898 -2.251 5.057 1.00 0.00 N ATOM 1515 CA HIS A 99 110.535 -2.239 6.478 1.00 0.00 C ATOM 1516 C HIS A 99 110.171 -3.644 6.953 1.00 0.00 C ATOM 1517 O HIS A 99 109.151 -3.839 7.613 1.00 0.00 O ATOM 1518 CB HIS A 99 109.342 -1.308 6.693 1.00 0.00 C ATOM 1519 CG HIS A 99 109.766 0.112 6.454 1.00 0.00 C ATOM 1520 ND1 HIS A 99 109.823 0.661 5.183 1.00 0.00 N ATOM 1521 CD2 HIS A 99 110.156 1.109 7.312 1.00 0.00 C ATOM 1522 CE1 HIS A 99 110.235 1.935 5.311 1.00 0.00 C ATOM 1523 NE2 HIS A 99 110.452 2.260 6.588 1.00 0.00 N ATOM 0 H HIS A 99 110.174 -2.623 4.442 1.00 0.00 H new ATOM 0 HA HIS A 99 111.391 -1.885 7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 99 108.531 -1.576 6.015 1.00 0.00 H new ATOM 0 HB3 HIS A 99 108.959 -1.419 7.707 1.00 0.00 H new ATOM 0 HD2 HIS A 99 110.223 1.015 8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 99 110.374 2.613 4.482 1.00 0.00 H new ATOM 0 HE2 HIS A 99 110.767 3.159 6.954 1.00 0.00 H new ATOM 1531 N HIS A 100 111.009 -4.620 6.612 1.00 0.00 N ATOM 1532 CA HIS A 100 110.762 -6.002 7.009 1.00 0.00 C ATOM 1533 C HIS A 100 111.279 -6.261 8.423 1.00 0.00 C ATOM 1534 O HIS A 100 110.832 -5.634 9.383 1.00 0.00 O ATOM 1535 CB HIS A 100 111.457 -6.956 6.034 1.00 0.00 C ATOM 1536 CG HIS A 100 110.890 -6.770 4.656 1.00 0.00 C ATOM 1537 ND1 HIS A 100 109.698 -7.357 4.261 1.00 0.00 N ATOM 1538 CD2 HIS A 100 111.338 -6.062 3.571 1.00 0.00 C ATOM 1539 CE1 HIS A 100 109.472 -6.995 2.985 1.00 0.00 C ATOM 1540 NE2 HIS A 100 110.442 -6.203 2.516 1.00 0.00 N ATOM 0 H HIS A 100 111.859 -4.480 6.066 1.00 0.00 H new ATOM 0 HA HIS A 100 109.686 -6.175 6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 100 112.530 -6.765 6.025 1.00 0.00 H new ATOM 0 HB3 HIS A 100 111.319 -7.987 6.359 1.00 0.00 H new ATOM 0 HD1 HIS A 100 109.101 -7.954 4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 100 112.249 -5.482 3.540 1.00 0.00 H new ATOM 0 HE1 HIS A 100 108.612 -7.306 2.410 1.00 0.00 H new ATOM 1548 N HIS A 101 112.214 -7.197 8.537 1.00 0.00 N ATOM 1549 CA HIS A 101 112.784 -7.554 9.827 1.00 0.00 C ATOM 1550 C HIS A 101 113.560 -6.387 10.433 1.00 0.00 C ATOM 1551 O HIS A 101 113.405 -6.074 11.614 1.00 0.00 O ATOM 1552 CB HIS A 101 113.722 -8.747 9.647 1.00 0.00 C ATOM 1553 CG HIS A 101 114.212 -9.203 10.989 1.00 0.00 C ATOM 1554 ND1 HIS A 101 115.519 -9.005 11.405 1.00 0.00 N ATOM 1555 CD2 HIS A 101 113.579 -9.840 12.025 1.00 0.00 C ATOM 1556 CE1 HIS A 101 115.629 -9.515 12.645 1.00 0.00 C ATOM 1557 NE2 HIS A 101 114.476 -10.036 13.071 1.00 0.00 N ATOM 0 H HIS A 101 112.593 -7.722 7.749 1.00 0.00 H new ATOM 0 HA HIS A 101 111.969 -7.810 10.505 1.00 0.00 H new ATOM 0 HB2 HIS A 101 113.201 -9.560 9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 101 114.565 -8.468 9.015 1.00 0.00 H new ATOM 0 HD2 HIS A 101 112.542 -10.143 12.029 1.00 0.00 H new ATOM 0 HE1 HIS A 101 116.540 -9.504 13.225 1.00 0.00 H new ATOM 0 HE2 HIS A 101 114.292 -10.482 13.970 1.00 0.00 H new ATOM 1565 N HIS A 102 114.402 -5.755 9.624 1.00 0.00 N ATOM 1566 CA HIS A 102 115.207 -4.634 10.096 1.00 0.00 C ATOM 1567 C HIS A 102 114.352 -3.384 10.269 1.00 0.00 C ATOM 1568 O HIS A 102 114.913 -2.301 10.241 1.00 0.00 O ATOM 1569 CB HIS A 102 116.331 -4.353 9.098 1.00 0.00 C ATOM 1570 CG HIS A 102 115.742 -4.020 7.754 1.00 0.00 C ATOM 1571 ND1 HIS A 102 116.523 -3.603 6.686 1.00 0.00 N ATOM 1572 CD2 HIS A 102 114.451 -4.041 7.288 1.00 0.00 C ATOM 1573 CE1 HIS A 102 115.701 -3.392 5.642 1.00 0.00 C ATOM 1574 NE2 HIS A 102 114.427 -3.643 5.954 1.00 0.00 N ATOM 1575 OXT HIS A 102 113.152 -3.527 10.430 1.00 0.00 O ATOM 0 H HIS A 102 114.545 -5.997 8.644 1.00 0.00 H new ATOM 0 HA HIS A 102 115.631 -4.898 11.065 1.00 0.00 H new ATOM 0 HB2 HIS A 102 116.946 -3.526 9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 102 116.983 -5.223 9.015 1.00 0.00 H new ATOM 0 HD1 HIS A 102 117.535 -3.479 6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 102 113.585 -4.323 7.868 1.00 0.00 H new ATOM 0 HE1 HIS A 102 116.032 -3.060 4.669 1.00 0.00 H new TER 1583 HIS A 102