USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 965 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 73 THR OG1 : rot 71:sc= 1.28 USER MOD Set 1.2: A 89 LYS NZ :NH3+ -147:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= -1.32 K(o=-1.4,f=0) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.0433 K(o=-1.4,f=-0.074) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -117:sc= 0.886 (180deg=-2.36!) USER MOD Set 3.2: A 52 THR OG1 : rot -155:sc= 0.108 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0749 (180deg=-0.48) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0845 (180deg=-0.0288) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= -0.0327 (180deg=-0.244) USER MOD Single : A 13 HIS : no HD1:sc= -0.0442 X(o=-0.044,f=-0.086) USER MOD Single : A 17 GLN : amide:sc= -0.57 K(o=-0.57,f=-1.9) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.00375 X(o=0.0037,f=0.015) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 47 SER OG : rot -147:sc= -1.71! USER MOD Single : A 50 SER OG : rot -3:sc= 1.35 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.38) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 129:sc= 0.00338 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -115:sc= 1.24 (180deg=-0.0582) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0191 K(o=-0.019,f=0.75) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -81:sc= 0.0287 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 85 SER OG : rot 43:sc= 0.039 USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= 0.0656 (180deg=0.0039) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 111:sc= 1.22 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -125:sc= 1.1 (180deg=-0.634!) USER MOD Single : A 111 GLN : amide:sc= 0.625 K(o=0.62,f=-1.3) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 30:sc= -0.0113 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.780 -12.628 -4.516 1.00 16.25 N ATOM 2 CA MET A 1 16.562 -12.465 -3.265 1.00 15.99 C ATOM 3 C MET A 1 18.047 -12.625 -3.522 1.00 15.41 C ATOM 4 O MET A 1 18.461 -13.002 -4.619 1.00 15.45 O ATOM 5 CB MET A 1 16.113 -13.512 -2.242 1.00 16.51 C ATOM 6 CG MET A 1 14.745 -13.239 -1.644 1.00 16.79 C ATOM 7 SD MET A 1 14.203 -14.521 -0.495 1.00 17.24 S ATOM 8 CE MET A 1 14.018 -15.921 -1.602 1.00 17.83 C ATOM 0 H1 MET A 1 15.220 -11.769 -4.690 1.00 16.25 H new ATOM 0 H2 MET A 1 16.429 -12.785 -5.313 1.00 16.25 H new ATOM 0 H3 MET A 1 15.142 -13.444 -4.423 1.00 16.25 H new ATOM 0 HA MET A 1 16.384 -11.461 -2.881 1.00 15.99 H new ATOM 0 HB2 MET A 1 16.101 -14.491 -2.720 1.00 16.51 H new ATOM 0 HB3 MET A 1 16.848 -13.559 -1.438 1.00 16.51 H new ATOM 0 HG2 MET A 1 14.767 -12.281 -1.125 1.00 16.79 H new ATOM 0 HG3 MET A 1 14.015 -13.149 -2.449 1.00 16.79 H new ATOM 0 HE1 MET A 1 13.384 -16.674 -1.134 1.00 17.83 H new ATOM 0 HE2 MET A 1 13.560 -15.590 -2.534 1.00 17.83 H new ATOM 0 HE3 MET A 1 14.997 -16.351 -1.812 1.00 17.83 H new ATOM 20 N GLY A 2 18.841 -12.337 -2.503 1.00 15.02 N ATOM 21 CA GLY A 2 20.279 -12.445 -2.603 1.00 14.60 C ATOM 22 C GLY A 2 20.936 -11.606 -1.536 1.00 13.81 C ATOM 23 O GLY A 2 21.198 -12.077 -0.431 1.00 13.66 O ATOM 0 H GLY A 2 18.506 -12.024 -1.592 1.00 15.02 H new ATOM 0 HA2 GLY A 2 20.582 -13.487 -2.496 1.00 14.60 H new ATOM 0 HA3 GLY A 2 20.609 -12.117 -3.589 1.00 14.60 H new ATOM 27 N ASP A 3 21.139 -10.342 -1.856 1.00 13.48 N ATOM 28 CA ASP A 3 21.707 -9.396 -0.912 1.00 12.89 C ATOM 29 C ASP A 3 20.685 -9.154 0.193 1.00 12.18 C ATOM 30 O ASP A 3 21.008 -9.137 1.385 1.00 12.23 O ATOM 31 CB ASP A 3 22.038 -8.088 -1.631 1.00 13.20 C ATOM 32 CG ASP A 3 22.579 -7.030 -0.696 1.00 13.55 C ATOM 33 OD1 ASP A 3 23.689 -7.216 -0.161 1.00 13.96 O ATOM 34 OD2 ASP A 3 21.896 -6.004 -0.497 1.00 13.59 O ATOM 0 H ASP A 3 20.918 -9.944 -2.769 1.00 13.48 H new ATOM 0 HA ASP A 3 22.627 -9.791 -0.481 1.00 12.89 H new ATOM 0 HB2 ASP A 3 22.770 -8.284 -2.414 1.00 13.20 H new ATOM 0 HB3 ASP A 3 21.141 -7.710 -2.121 1.00 13.20 H new ATOM 39 N THR A 4 19.436 -9.006 -0.226 1.00 11.73 N ATOM 40 CA THR A 4 18.329 -8.799 0.688 1.00 11.23 C ATOM 41 C THR A 4 17.474 -10.057 0.796 1.00 10.51 C ATOM 42 O THR A 4 17.483 -10.920 -0.095 1.00 10.53 O ATOM 43 CB THR A 4 17.466 -7.625 0.220 1.00 11.64 C ATOM 44 OG1 THR A 4 17.577 -7.460 -1.183 1.00 12.39 O ATOM 45 CG2 THR A 4 17.828 -6.310 0.875 1.00 11.87 C ATOM 0 H THR A 4 19.165 -9.027 -1.209 1.00 11.73 H new ATOM 0 HA THR A 4 18.740 -8.571 1.672 1.00 11.23 H new ATOM 0 HB THR A 4 16.446 -7.878 0.511 1.00 11.64 H new ATOM 0 HG1 THR A 4 17.019 -6.707 -1.469 1.00 12.39 H new ATOM 0 HG21 THR A 4 17.176 -5.523 0.496 1.00 11.87 H new ATOM 0 HG22 THR A 4 17.704 -6.395 1.955 1.00 11.87 H new ATOM 0 HG23 THR A 4 18.865 -6.063 0.647 1.00 11.87 H new ATOM 53 N GLY A 5 16.730 -10.144 1.883 1.00 10.10 N ATOM 54 CA GLY A 5 15.862 -11.272 2.101 1.00 9.63 C ATOM 55 C GLY A 5 14.432 -10.945 1.728 1.00 9.04 C ATOM 56 O GLY A 5 14.175 -10.402 0.652 1.00 9.05 O ATOM 0 H GLY A 5 16.714 -9.444 2.625 1.00 10.10 H new ATOM 0 HA2 GLY A 5 16.209 -12.120 1.511 1.00 9.63 H new ATOM 0 HA3 GLY A 5 15.908 -11.572 3.148 1.00 9.63 H new ATOM 60 N LYS A 6 13.498 -11.262 2.611 1.00 8.78 N ATOM 61 CA LYS A 6 12.094 -10.984 2.350 1.00 8.49 C ATOM 62 C LYS A 6 11.574 -9.876 3.260 1.00 7.56 C ATOM 63 O LYS A 6 10.432 -9.914 3.717 1.00 7.43 O ATOM 64 CB LYS A 6 11.244 -12.263 2.489 1.00 9.13 C ATOM 65 CG LYS A 6 11.574 -13.133 3.699 1.00 9.99 C ATOM 66 CD LYS A 6 10.900 -12.638 4.969 1.00 10.66 C ATOM 67 CE LYS A 6 11.122 -13.587 6.129 1.00 11.46 C ATOM 68 NZ LYS A 6 12.557 -13.900 6.332 1.00 11.90 N ATOM 0 H LYS A 6 13.684 -11.709 3.509 1.00 8.78 H new ATOM 0 HA LYS A 6 12.007 -10.635 1.321 1.00 8.49 H new ATOM 0 HB2 LYS A 6 10.193 -11.978 2.542 1.00 9.13 H new ATOM 0 HB3 LYS A 6 11.367 -12.862 1.586 1.00 9.13 H new ATOM 0 HG2 LYS A 6 11.263 -14.159 3.502 1.00 9.99 H new ATOM 0 HG3 LYS A 6 12.654 -13.151 3.847 1.00 9.99 H new ATOM 0 HD2 LYS A 6 11.288 -11.652 5.226 1.00 10.66 H new ATOM 0 HD3 LYS A 6 9.831 -12.524 4.792 1.00 10.66 H new ATOM 0 HE2 LYS A 6 10.716 -13.146 7.039 1.00 11.46 H new ATOM 0 HE3 LYS A 6 10.572 -14.511 5.950 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 12.675 -14.425 7.222 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 12.902 -14.479 5.540 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 13.102 -13.016 6.377 1.00 11.90 H new ATOM 82 N LEU A 7 12.414 -8.880 3.510 1.00 7.18 N ATOM 83 CA LEU A 7 12.034 -7.755 4.354 1.00 6.55 C ATOM 84 C LEU A 7 12.054 -6.462 3.545 1.00 5.97 C ATOM 85 O LEU A 7 11.892 -6.485 2.321 1.00 6.20 O ATOM 86 CB LEU A 7 12.976 -7.635 5.558 1.00 7.03 C ATOM 87 CG LEU A 7 13.028 -8.853 6.491 1.00 7.64 C ATOM 88 CD1 LEU A 7 13.964 -8.579 7.657 1.00 8.38 C ATOM 89 CD2 LEU A 7 11.640 -9.231 6.997 1.00 7.67 C ATOM 0 H LEU A 7 13.363 -8.828 3.140 1.00 7.18 H new ATOM 0 HA LEU A 7 11.023 -7.930 4.723 1.00 6.55 H new ATOM 0 HB2 LEU A 7 13.983 -7.441 5.189 1.00 7.03 H new ATOM 0 HB3 LEU A 7 12.678 -6.765 6.143 1.00 7.03 H new ATOM 0 HG LEU A 7 13.410 -9.698 5.919 1.00 7.64 H new ATOM 0 HD11 LEU A 7 13.993 -9.449 8.312 1.00 8.38 H new ATOM 0 HD12 LEU A 7 14.966 -8.375 7.279 1.00 8.38 H new ATOM 0 HD13 LEU A 7 13.605 -7.715 8.217 1.00 8.38 H new ATOM 0 HD21 LEU A 7 11.716 -10.097 7.654 1.00 7.67 H new ATOM 0 HD22 LEU A 7 11.213 -8.393 7.548 1.00 7.67 H new ATOM 0 HD23 LEU A 7 10.998 -9.473 6.150 1.00 7.67 H new ATOM 101 N GLY A 8 12.251 -5.340 4.220 1.00 5.56 N ATOM 102 CA GLY A 8 12.283 -4.064 3.534 1.00 5.28 C ATOM 103 C GLY A 8 10.985 -3.300 3.698 1.00 4.37 C ATOM 104 O GLY A 8 10.657 -2.436 2.884 1.00 4.43 O ATOM 0 H GLY A 8 12.389 -5.289 5.229 1.00 5.56 H new ATOM 0 HA2 GLY A 8 13.108 -3.465 3.920 1.00 5.28 H new ATOM 0 HA3 GLY A 8 12.477 -4.227 2.474 1.00 5.28 H new ATOM 108 N ARG A 9 10.252 -3.618 4.763 1.00 3.85 N ATOM 109 CA ARG A 9 8.978 -2.963 5.064 1.00 3.14 C ATOM 110 C ARG A 9 9.222 -1.596 5.711 1.00 2.98 C ATOM 111 O ARG A 9 8.766 -1.341 6.828 1.00 3.23 O ATOM 112 CB ARG A 9 8.120 -3.835 6.001 1.00 2.97 C ATOM 113 CG ARG A 9 7.513 -5.064 5.347 1.00 3.11 C ATOM 114 CD ARG A 9 8.528 -6.182 5.175 1.00 3.35 C ATOM 115 NE ARG A 9 7.938 -7.360 4.554 1.00 3.78 N ATOM 116 CZ ARG A 9 7.121 -8.210 5.176 1.00 4.27 C ATOM 117 NH1 ARG A 9 7.217 -8.357 6.492 1.00 4.46 N ATOM 118 NH2 ARG A 9 6.569 -9.190 4.480 1.00 4.95 N ATOM 0 H ARG A 9 10.521 -4.333 5.439 1.00 3.85 H new ATOM 0 HA ARG A 9 8.440 -2.825 4.126 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.735 -4.155 6.842 1.00 2.97 H new ATOM 0 HB3 ARG A 9 7.316 -3.223 6.409 1.00 2.97 H new ATOM 0 HG2 ARG A 9 6.680 -5.422 5.952 1.00 3.11 H new ATOM 0 HG3 ARG A 9 7.106 -4.792 4.373 1.00 3.11 H new ATOM 0 HD2 ARG A 9 9.359 -5.827 4.565 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.939 -6.452 6.148 1.00 3.35 H new ATOM 0 HE ARG A 9 8.165 -7.547 3.577 1.00 3.78 H new ATOM 0 HH11 ARG A 9 7.910 -7.823 7.016 1.00 4.46 H new ATOM 0 HH12 ARG A 9 6.597 -9.004 6.979 1.00 4.46 H new ATOM 0 HH21 ARG A 9 6.771 -9.285 3.485 1.00 4.95 H new ATOM 0 HH22 ARG A 9 5.941 -9.850 4.938 1.00 4.95 H new ATOM 132 N ILE A 10 9.968 -0.747 5.007 1.00 2.78 N ATOM 133 CA ILE A 10 10.325 0.588 5.486 1.00 2.70 C ATOM 134 C ILE A 10 9.120 1.394 5.992 1.00 2.20 C ATOM 135 O ILE A 10 9.136 1.865 7.131 1.00 2.49 O ATOM 136 CB ILE A 10 11.108 1.377 4.403 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.325 2.831 4.841 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.412 1.300 3.054 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.194 3.642 3.906 1.00 3.25 C ATOM 0 H ILE A 10 10.344 -0.966 4.084 1.00 2.78 H new ATOM 0 HA ILE A 10 10.975 0.439 6.348 1.00 2.70 H new ATOM 0 HB ILE A 10 12.088 0.913 4.289 1.00 2.80 H new ATOM 0 HG12 ILE A 10 10.355 3.319 4.931 1.00 2.80 H new ATOM 0 HG13 ILE A 10 11.777 2.835 5.833 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.985 1.862 2.316 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.340 0.259 2.741 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.411 1.724 3.136 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.295 4.657 4.291 1.00 3.25 H new ATOM 0 HD12 ILE A 10 13.179 3.182 3.834 1.00 3.25 H new ATOM 0 HD13 ILE A 10 11.735 3.673 2.918 1.00 3.25 H new ATOM 151 N ILE A 11 8.079 1.560 5.180 1.00 1.98 N ATOM 152 CA ILE A 11 6.922 2.317 5.630 1.00 1.56 C ATOM 153 C ILE A 11 5.975 1.446 6.459 1.00 1.31 C ATOM 154 O ILE A 11 6.027 1.461 7.691 1.00 1.71 O ATOM 155 CB ILE A 11 6.133 2.966 4.463 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.045 3.862 3.619 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.972 3.778 5.019 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.310 4.647 2.548 1.00 2.05 C ATOM 0 H ILE A 11 8.015 1.190 4.232 1.00 1.98 H new ATOM 0 HA ILE A 11 7.319 3.119 6.252 1.00 1.56 H new ATOM 0 HB ILE A 11 5.747 2.174 3.822 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.563 4.560 4.277 1.00 1.94 H new ATOM 0 HG13 ILE A 11 7.808 3.245 3.145 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.419 4.233 4.197 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.308 3.124 5.584 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.356 4.560 5.675 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.021 5.258 1.992 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.814 3.956 1.866 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.566 5.292 3.016 1.00 2.05 H new ATOM 170 N ARG A 12 5.098 0.710 5.789 1.00 0.96 N ATOM 171 CA ARG A 12 4.119 -0.130 6.474 1.00 1.02 C ATOM 172 C ARG A 12 3.735 -1.346 5.637 1.00 0.77 C ATOM 173 O ARG A 12 4.037 -1.410 4.447 1.00 0.91 O ATOM 174 CB ARG A 12 2.872 0.709 6.775 1.00 1.53 C ATOM 175 CG ARG A 12 2.889 1.379 8.134 1.00 2.10 C ATOM 176 CD ARG A 12 1.750 2.381 8.271 1.00 2.67 C ATOM 177 NE ARG A 12 1.766 3.088 9.558 1.00 3.29 N ATOM 178 CZ ARG A 12 2.761 3.875 9.983 1.00 3.98 C ATOM 179 NH1 ARG A 12 3.873 3.994 9.277 1.00 4.30 N ATOM 180 NH2 ARG A 12 2.652 4.523 11.136 1.00 4.72 N ATOM 0 H ARG A 12 5.043 0.676 4.771 1.00 0.96 H new ATOM 0 HA ARG A 12 4.564 -0.496 7.399 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.768 1.474 6.006 1.00 1.53 H new ATOM 0 HB3 ARG A 12 1.992 0.069 6.709 1.00 1.53 H new ATOM 0 HG2 ARG A 12 2.808 0.623 8.915 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.842 1.887 8.280 1.00 2.10 H new ATOM 0 HD2 ARG A 12 1.812 3.108 7.461 1.00 2.67 H new ATOM 0 HD3 ARG A 12 0.799 1.861 8.159 1.00 2.67 H new ATOM 0 HE ARG A 12 0.960 2.971 10.172 1.00 3.29 H new ATOM 0 HH11 ARG A 12 3.978 3.483 8.400 1.00 4.30 H new ATOM 0 HH12 ARG A 12 4.626 4.596 9.609 1.00 4.30 H new ATOM 0 HH21 ARG A 12 1.808 4.422 11.700 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.412 5.122 11.458 1.00 4.72 H new ATOM 194 N HIS A 13 3.054 -2.300 6.261 1.00 0.70 N ATOM 195 CA HIS A 13 2.603 -3.508 5.582 1.00 0.68 C ATOM 196 C HIS A 13 1.351 -4.039 6.282 1.00 0.74 C ATOM 197 O HIS A 13 1.310 -4.113 7.508 1.00 1.04 O ATOM 198 CB HIS A 13 3.710 -4.578 5.567 1.00 0.93 C ATOM 199 CG HIS A 13 3.990 -5.207 6.901 1.00 1.07 C ATOM 200 ND1 HIS A 13 4.566 -4.536 7.959 1.00 1.69 N ATOM 201 CD2 HIS A 13 3.717 -6.453 7.358 1.00 1.46 C ATOM 202 CE1 HIS A 13 4.631 -5.342 9.004 1.00 1.98 C ATOM 203 NE2 HIS A 13 4.121 -6.510 8.668 1.00 1.80 N ATOM 0 H HIS A 13 2.800 -2.258 7.248 1.00 0.70 H new ATOM 0 HA HIS A 13 2.365 -3.266 4.546 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.430 -5.361 4.862 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.629 -4.126 5.193 1.00 0.93 H new ATOM 0 HD2 HIS A 13 3.264 -7.255 6.794 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.035 -5.086 9.972 1.00 1.98 H new ATOM 0 HE2 HIS A 13 4.040 -7.322 9.280 1.00 1.80 H new ATOM 212 N ASP A 14 0.324 -4.373 5.518 1.00 0.60 N ATOM 213 CA ASP A 14 -0.925 -4.865 6.098 1.00 0.69 C ATOM 214 C ASP A 14 -1.531 -5.960 5.228 1.00 0.61 C ATOM 215 O ASP A 14 -0.853 -6.529 4.367 1.00 0.86 O ATOM 216 CB ASP A 14 -1.920 -3.706 6.217 1.00 0.83 C ATOM 217 CG ASP A 14 -2.876 -3.852 7.388 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.485 -3.505 8.524 1.00 2.03 O ATOM 219 OD2 ASP A 14 -4.015 -4.320 7.180 1.00 1.78 O ATOM 0 H ASP A 14 0.325 -4.315 4.500 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.711 -5.280 7.083 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.368 -2.772 6.322 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -2.495 -3.634 5.294 1.00 0.83 H new ATOM 224 N ALA A 15 -2.817 -6.233 5.429 1.00 0.75 N ATOM 225 CA ALA A 15 -3.528 -7.229 4.647 1.00 0.71 C ATOM 226 C ALA A 15 -4.994 -6.848 4.525 1.00 0.68 C ATOM 227 O ALA A 15 -5.744 -6.900 5.497 1.00 0.88 O ATOM 228 CB ALA A 15 -3.397 -8.617 5.251 1.00 0.84 C ATOM 0 H ALA A 15 -3.389 -5.771 6.135 1.00 0.75 H new ATOM 0 HA ALA A 15 -3.077 -7.256 3.655 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.942 -9.334 4.637 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.345 -8.899 5.290 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.810 -8.615 6.260 1.00 0.84 H new ATOM 234 N PHE A 16 -5.395 -6.465 3.327 1.00 0.60 N ATOM 235 CA PHE A 16 -6.771 -6.076 3.078 1.00 0.67 C ATOM 236 C PHE A 16 -7.417 -7.027 2.097 1.00 0.68 C ATOM 237 O PHE A 16 -6.815 -7.396 1.092 1.00 1.00 O ATOM 238 CB PHE A 16 -6.844 -4.659 2.520 1.00 0.77 C ATOM 239 CG PHE A 16 -6.248 -3.628 3.428 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.874 -3.292 4.614 1.00 1.83 C ATOM 241 CD2 PHE A 16 -5.052 -3.012 3.102 1.00 1.74 C ATOM 242 CE1 PHE A 16 -6.320 -2.355 5.461 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.493 -2.071 3.943 1.00 2.26 C ATOM 244 CZ PHE A 16 -5.125 -1.743 5.127 1.00 2.35 C ATOM 0 H PHE A 16 -4.787 -6.415 2.510 1.00 0.60 H new ATOM 0 HA PHE A 16 -7.304 -6.112 4.028 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -6.328 -4.628 1.560 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.887 -4.405 2.330 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -7.806 -3.768 4.880 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.551 -3.270 2.181 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.819 -2.099 6.384 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -3.563 -1.592 3.676 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.688 -1.011 5.790 1.00 2.35 H new ATOM 254 N GLN A 17 -8.643 -7.387 2.379 1.00 0.59 N ATOM 255 CA GLN A 17 -9.396 -8.274 1.513 1.00 0.60 C ATOM 256 C GLN A 17 -10.595 -7.503 1.020 1.00 0.64 C ATOM 257 O GLN A 17 -11.697 -7.620 1.559 1.00 0.95 O ATOM 258 CB GLN A 17 -9.805 -9.542 2.271 1.00 0.74 C ATOM 259 CG GLN A 17 -10.088 -10.757 1.388 1.00 1.07 C ATOM 260 CD GLN A 17 -11.345 -10.626 0.545 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.375 -9.904 -0.451 1.00 1.81 O ATOM 262 NE2 GLN A 17 -12.397 -11.321 0.950 1.00 1.63 N ATOM 0 H GLN A 17 -9.150 -7.079 3.209 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.794 -8.602 0.665 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.013 -9.799 2.974 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.696 -9.324 2.860 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -9.236 -10.921 0.729 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.177 -11.641 2.020 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -12.331 -11.908 1.781 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -13.273 -11.269 0.431 1.00 1.63 H new ATOM 271 N VAL A 18 -10.358 -6.663 0.026 1.00 0.51 N ATOM 272 CA VAL A 18 -11.378 -5.806 -0.521 1.00 0.59 C ATOM 273 C VAL A 18 -11.188 -5.595 -2.007 1.00 0.60 C ATOM 274 O VAL A 18 -10.102 -5.793 -2.547 1.00 1.04 O ATOM 275 CB VAL A 18 -11.390 -4.441 0.186 1.00 0.83 C ATOM 276 CG1 VAL A 18 -12.332 -4.463 1.371 1.00 1.24 C ATOM 277 CG2 VAL A 18 -9.986 -4.058 0.620 1.00 0.84 C ATOM 0 H VAL A 18 -9.447 -6.562 -0.421 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.333 -6.306 -0.356 1.00 0.59 H new ATOM 0 HB VAL A 18 -11.748 -3.689 -0.517 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -12.327 -3.488 1.858 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -13.341 -4.692 1.029 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -12.007 -5.225 2.080 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -10.011 -3.089 1.119 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -9.600 -4.810 1.308 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -9.338 -3.999 -0.255 1.00 0.84 H new ATOM 287 N TRP A 19 -12.287 -5.239 -2.631 1.00 0.63 N ATOM 288 CA TRP A 19 -12.401 -4.997 -4.062 1.00 0.65 C ATOM 289 C TRP A 19 -11.133 -4.422 -4.699 1.00 0.68 C ATOM 290 O TRP A 19 -10.588 -3.407 -4.246 1.00 1.04 O ATOM 291 CB TRP A 19 -13.594 -4.089 -4.266 1.00 0.72 C ATOM 292 CG TRP A 19 -14.799 -4.582 -3.507 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.690 -5.539 -3.906 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.198 -4.193 -2.183 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.653 -5.719 -2.938 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.370 -4.906 -1.874 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.695 -3.291 -1.244 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -17.037 -4.756 -0.658 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.353 -3.147 -0.036 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.521 -3.865 0.240 1.00 0.96 C ATOM 0 H TRP A 19 -13.169 -5.102 -2.138 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.540 -5.951 -4.571 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.345 -3.080 -3.939 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -13.831 -4.030 -5.328 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.645 -6.075 -4.843 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.448 -6.355 -3.003 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.807 -2.715 -1.457 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.928 -5.323 -0.435 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.958 -2.469 0.706 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -17.026 -3.712 1.183 1.00 0.96 H new ATOM 311 N GLU A 20 -10.661 -5.115 -5.741 1.00 0.69 N ATOM 312 CA GLU A 20 -9.436 -4.737 -6.449 1.00 0.77 C ATOM 313 C GLU A 20 -9.564 -4.943 -7.968 1.00 1.18 C ATOM 314 O GLU A 20 -10.129 -5.934 -8.426 1.00 1.81 O ATOM 315 CB GLU A 20 -8.273 -5.583 -5.904 1.00 1.04 C ATOM 316 CG GLU A 20 -6.914 -5.331 -6.553 1.00 1.26 C ATOM 317 CD GLU A 20 -6.455 -3.895 -6.444 1.00 1.90 C ATOM 318 OE1 GLU A 20 -6.973 -3.045 -7.195 1.00 2.42 O ATOM 319 OE2 GLU A 20 -5.609 -3.605 -5.577 1.00 2.62 O ATOM 0 H GLU A 20 -11.115 -5.948 -6.114 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.252 -3.676 -6.280 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.184 -5.399 -4.833 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -8.525 -6.636 -6.027 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -6.171 -5.979 -6.087 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -6.965 -5.610 -7.606 1.00 1.26 H new ATOM 326 N GLY A 21 -8.990 -4.001 -8.723 1.00 1.49 N ATOM 327 CA GLY A 21 -8.983 -4.057 -10.181 1.00 1.95 C ATOM 328 C GLY A 21 -10.312 -4.431 -10.797 1.00 2.05 C ATOM 329 O GLY A 21 -11.364 -3.924 -10.404 1.00 2.48 O ATOM 0 H GLY A 21 -8.519 -3.182 -8.338 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -8.677 -3.085 -10.569 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -8.232 -4.779 -10.501 1.00 1.95 H new ATOM 333 N ASP A 22 -10.260 -5.326 -11.776 1.00 2.34 N ATOM 334 CA ASP A 22 -11.455 -5.787 -12.466 1.00 2.75 C ATOM 335 C ASP A 22 -11.900 -7.141 -11.942 1.00 2.43 C ATOM 336 O ASP A 22 -12.720 -7.822 -12.560 1.00 2.85 O ATOM 337 CB ASP A 22 -11.218 -5.860 -13.973 1.00 3.62 C ATOM 338 CG ASP A 22 -11.726 -4.634 -14.694 1.00 4.19 C ATOM 339 OD1 ASP A 22 -12.948 -4.378 -14.643 1.00 4.65 O ATOM 340 OD2 ASP A 22 -10.906 -3.913 -15.311 1.00 4.60 O ATOM 0 H ASP A 22 -9.394 -5.749 -12.111 1.00 2.34 H new ATOM 0 HA ASP A 22 -12.248 -5.065 -12.272 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -10.151 -5.976 -14.165 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -11.712 -6.745 -14.374 1.00 3.62 H new ATOM 345 N GLU A 23 -11.378 -7.492 -10.796 1.00 2.07 N ATOM 346 CA GLU A 23 -11.728 -8.744 -10.129 1.00 2.37 C ATOM 347 C GLU A 23 -12.326 -8.384 -8.772 1.00 1.70 C ATOM 348 O GLU A 23 -11.590 -8.260 -7.801 1.00 1.86 O ATOM 349 CB GLU A 23 -10.491 -9.647 -9.973 1.00 3.34 C ATOM 350 CG GLU A 23 -10.024 -10.302 -11.267 1.00 4.22 C ATOM 351 CD GLU A 23 -9.213 -9.371 -12.148 1.00 5.12 C ATOM 352 OE1 GLU A 23 -8.773 -8.307 -11.662 1.00 5.52 O ATOM 353 OE2 GLU A 23 -8.989 -9.711 -13.331 1.00 5.78 O ATOM 0 H GLU A 23 -10.697 -6.926 -10.289 1.00 2.07 H new ATOM 0 HA GLU A 23 -12.450 -9.306 -10.721 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -9.673 -9.054 -9.564 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -10.715 -10.427 -9.245 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -9.424 -11.179 -11.027 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -10.893 -10.653 -11.823 1.00 4.22 H new ATOM 360 N PRO A 24 -13.673 -8.198 -8.731 1.00 1.42 N ATOM 361 CA PRO A 24 -14.489 -7.817 -7.572 1.00 1.17 C ATOM 362 C PRO A 24 -13.744 -7.805 -6.206 1.00 0.97 C ATOM 363 O PRO A 24 -12.856 -6.969 -6.051 1.00 1.08 O ATOM 364 CB PRO A 24 -15.647 -8.800 -7.726 1.00 1.65 C ATOM 365 CG PRO A 24 -15.776 -9.007 -9.218 1.00 2.09 C ATOM 366 CD PRO A 24 -14.572 -8.355 -9.865 1.00 2.00 C ATOM 0 HA PRO A 24 -14.810 -6.776 -7.557 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -15.441 -9.739 -7.212 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -16.567 -8.399 -7.300 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -15.813 -10.070 -9.457 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -16.700 -8.564 -9.590 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -14.139 -8.980 -10.646 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -14.822 -7.398 -10.324 1.00 2.00 H new ATOM 374 N PRO A 25 -14.026 -8.641 -5.168 1.00 0.88 N ATOM 375 CA PRO A 25 -13.260 -8.529 -3.941 1.00 0.77 C ATOM 376 C PRO A 25 -12.025 -9.423 -3.993 1.00 0.74 C ATOM 377 O PRO A 25 -12.115 -10.611 -4.310 1.00 0.92 O ATOM 378 CB PRO A 25 -14.236 -8.975 -2.854 1.00 0.92 C ATOM 379 CG PRO A 25 -15.383 -9.652 -3.562 1.00 1.08 C ATOM 380 CD PRO A 25 -15.040 -9.702 -5.031 1.00 1.09 C ATOM 0 HA PRO A 25 -12.883 -7.522 -3.764 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.753 -9.658 -2.155 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.587 -8.122 -2.274 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.537 -10.657 -3.169 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.311 -9.102 -3.403 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -14.647 -10.676 -5.321 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.912 -9.511 -5.656 1.00 1.09 H new ATOM 388 N LYS A 26 -10.869 -8.840 -3.729 1.00 0.65 N ATOM 389 CA LYS A 26 -9.615 -9.579 -3.797 1.00 0.73 C ATOM 390 C LYS A 26 -8.672 -9.153 -2.680 1.00 0.66 C ATOM 391 O LYS A 26 -8.486 -7.961 -2.419 1.00 0.88 O ATOM 392 CB LYS A 26 -8.988 -9.365 -5.180 1.00 0.95 C ATOM 393 CG LYS A 26 -7.631 -10.030 -5.389 1.00 1.34 C ATOM 394 CD LYS A 26 -7.197 -9.970 -6.851 1.00 1.42 C ATOM 395 CE LYS A 26 -7.445 -8.591 -7.454 1.00 1.61 C ATOM 396 NZ LYS A 26 -6.916 -8.456 -8.844 1.00 2.20 N ATOM 0 H LYS A 26 -10.770 -7.860 -3.466 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.807 -10.643 -3.657 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -9.678 -9.740 -5.936 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.880 -8.294 -5.350 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -6.884 -9.538 -4.766 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -7.681 -11.070 -5.066 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -6.138 -10.216 -6.927 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.741 -10.721 -7.424 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.516 -8.390 -7.458 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -6.981 -7.835 -6.820 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -6.174 -7.728 -8.864 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -6.517 -9.365 -9.154 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -7.688 -8.181 -9.484 1.00 2.20 H new ATOM 410 N LEU A 27 -8.081 -10.137 -2.021 1.00 0.67 N ATOM 411 CA LEU A 27 -7.160 -9.881 -0.929 1.00 0.65 C ATOM 412 C LEU A 27 -5.819 -9.421 -1.480 1.00 0.67 C ATOM 413 O LEU A 27 -5.371 -9.874 -2.533 1.00 1.02 O ATOM 414 CB LEU A 27 -7.022 -11.130 -0.043 1.00 0.76 C ATOM 415 CG LEU A 27 -6.021 -11.029 1.113 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.508 -11.800 2.336 1.00 1.23 C ATOM 417 CD2 LEU A 27 -4.674 -11.560 0.665 1.00 1.31 C ATOM 0 H LEU A 27 -8.225 -11.126 -2.226 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.553 -9.081 -0.301 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -8.002 -11.367 0.371 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.732 -11.969 -0.676 1.00 0.76 H new ATOM 0 HG LEU A 27 -5.926 -9.981 1.395 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.776 -11.709 3.139 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -7.463 -11.391 2.667 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -6.634 -12.851 2.077 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -3.963 -11.488 1.488 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.776 -12.603 0.364 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -4.314 -10.972 -0.179 1.00 1.31 H new ATOM 429 N ARG A 28 -5.200 -8.500 -0.772 1.00 0.57 N ATOM 430 CA ARG A 28 -3.929 -7.950 -1.182 1.00 0.59 C ATOM 431 C ARG A 28 -3.083 -7.598 0.035 1.00 0.55 C ATOM 432 O ARG A 28 -3.532 -6.889 0.945 1.00 0.64 O ATOM 433 CB ARG A 28 -4.143 -6.689 -2.030 1.00 0.71 C ATOM 434 CG ARG A 28 -4.874 -5.590 -1.276 1.00 1.41 C ATOM 435 CD ARG A 28 -4.766 -4.242 -1.962 1.00 1.72 C ATOM 436 NE ARG A 28 -5.787 -4.026 -2.984 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.098 -3.945 -2.744 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.641 -4.724 -1.814 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.879 -3.512 -3.714 1.00 3.18 N ATOM 0 H ARG A 28 -5.563 -8.114 0.100 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.409 -8.702 -1.776 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.176 -6.313 -2.364 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.710 -6.949 -2.924 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.925 -5.860 -1.177 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.468 -5.514 -0.267 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -4.841 -3.454 -1.212 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -3.781 -4.154 -2.419 1.00 1.72 H new ATOM 0 HE ARG A 28 -5.476 -3.930 -3.951 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.057 -5.376 -1.291 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.642 -4.669 -1.624 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.477 -3.251 -4.614 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.885 -3.438 -3.564 1.00 3.18 H new ATOM 453 N TYR A 29 -1.851 -8.072 0.039 1.00 0.55 N ATOM 454 CA TYR A 29 -0.930 -7.767 1.120 1.00 0.59 C ATOM 455 C TYR A 29 -0.223 -6.469 0.758 1.00 0.55 C ATOM 456 O TYR A 29 0.683 -6.461 -0.066 1.00 0.70 O ATOM 457 CB TYR A 29 0.083 -8.909 1.320 1.00 0.71 C ATOM 458 CG TYR A 29 -0.486 -10.141 2.006 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.812 -10.187 2.406 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.309 -11.257 2.258 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.335 -11.298 3.033 1.00 1.63 C ATOM 462 CE2 TYR A 29 -0.212 -12.375 2.889 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.533 -12.387 3.272 1.00 1.26 C ATOM 464 OH TYR A 29 -2.053 -13.488 3.905 1.00 1.58 O ATOM 0 H TYR A 29 -1.465 -8.669 -0.692 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.469 -7.658 2.061 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.480 -9.200 0.348 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.922 -8.536 1.908 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.449 -9.335 2.223 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.346 -11.251 1.957 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -3.372 -11.312 3.335 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.416 -13.233 3.079 1.00 1.55 H new ATOM 0 HH TYR A 29 -1.357 -14.172 3.997 1.00 1.58 H new ATOM 474 N VAL A 30 -0.689 -5.366 1.320 1.00 0.48 N ATOM 475 CA VAL A 30 -0.129 -4.065 0.992 1.00 0.48 C ATOM 476 C VAL A 30 1.139 -3.754 1.778 1.00 0.49 C ATOM 477 O VAL A 30 1.133 -3.703 3.005 1.00 0.59 O ATOM 478 CB VAL A 30 -1.161 -2.938 1.223 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.611 -1.595 0.772 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.458 -3.236 0.493 1.00 0.65 C ATOM 0 H VAL A 30 -1.448 -5.344 2.001 1.00 0.48 H new ATOM 0 HA VAL A 30 0.133 -4.111 -0.065 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.363 -2.890 2.293 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.357 -0.819 0.946 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.292 -1.363 1.337 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.373 -1.638 -0.291 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.169 -2.429 0.670 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.263 -3.319 -0.576 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.875 -4.174 0.860 1.00 0.65 H new ATOM 490 N PHE A 31 2.207 -3.516 1.036 1.00 0.49 N ATOM 491 CA PHE A 31 3.500 -3.155 1.590 1.00 0.54 C ATOM 492 C PHE A 31 3.893 -1.805 1.011 1.00 0.52 C ATOM 493 O PHE A 31 4.032 -1.664 -0.203 1.00 0.56 O ATOM 494 CB PHE A 31 4.577 -4.187 1.229 1.00 0.61 C ATOM 495 CG PHE A 31 4.223 -5.618 1.530 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.431 -6.149 2.790 1.00 1.44 C ATOM 497 CD2 PHE A 31 3.703 -6.436 0.540 1.00 1.22 C ATOM 498 CE1 PHE A 31 4.120 -7.466 3.061 1.00 1.49 C ATOM 499 CE2 PHE A 31 3.398 -7.758 0.803 1.00 1.30 C ATOM 500 CZ PHE A 31 3.607 -8.273 2.065 1.00 0.85 C ATOM 0 H PHE A 31 2.200 -3.569 0.017 1.00 0.49 H new ATOM 0 HA PHE A 31 3.424 -3.119 2.677 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.797 -4.101 0.165 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.492 -3.936 1.766 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.841 -5.526 3.571 1.00 1.44 H new ATOM 0 HD2 PHE A 31 3.534 -6.036 -0.449 1.00 1.22 H new ATOM 0 HE1 PHE A 31 4.278 -7.865 4.052 1.00 1.49 H new ATOM 0 HE2 PHE A 31 2.997 -8.387 0.022 1.00 1.30 H new ATOM 0 HZ PHE A 31 3.370 -9.306 2.274 1.00 0.85 H new ATOM 510 N LEU A 32 4.089 -0.803 1.845 1.00 0.57 N ATOM 511 CA LEU A 32 4.470 0.495 1.333 1.00 0.59 C ATOM 512 C LEU A 32 5.965 0.685 1.487 1.00 0.67 C ATOM 513 O LEU A 32 6.511 0.503 2.581 1.00 0.84 O ATOM 514 CB LEU A 32 3.775 1.647 2.051 1.00 0.74 C ATOM 515 CG LEU A 32 2.321 1.443 2.465 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.885 2.619 3.330 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.414 1.326 1.250 1.00 1.43 C ATOM 0 H LEU A 32 3.993 -0.860 2.859 1.00 0.57 H new ATOM 0 HA LEU A 32 4.167 0.514 0.286 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.350 1.881 2.947 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.821 2.523 1.404 1.00 0.74 H new ATOM 0 HG LEU A 32 2.242 0.513 3.029 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.846 2.483 3.632 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.517 2.672 4.217 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.980 3.544 2.761 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.384 1.181 1.577 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.481 2.238 0.656 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.725 0.475 0.644 1.00 1.43 H new ATOM 529 N PHE A 33 6.619 1.068 0.408 1.00 0.75 N ATOM 530 CA PHE A 33 8.051 1.315 0.425 1.00 0.96 C ATOM 531 C PHE A 33 8.272 2.780 0.081 1.00 1.08 C ATOM 532 O PHE A 33 7.308 3.489 -0.204 1.00 1.56 O ATOM 533 CB PHE A 33 8.772 0.397 -0.578 1.00 1.17 C ATOM 534 CG PHE A 33 8.591 -1.079 -0.308 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.129 -1.531 0.924 1.00 2.01 C ATOM 536 CD2 PHE A 33 8.883 -2.015 -1.285 1.00 1.79 C ATOM 537 CE1 PHE A 33 7.956 -2.878 1.169 1.00 2.28 C ATOM 538 CE2 PHE A 33 8.713 -3.368 -1.045 1.00 2.06 C ATOM 539 CZ PHE A 33 8.247 -3.800 0.182 1.00 2.01 C ATOM 0 H PHE A 33 6.178 1.216 -0.500 1.00 0.75 H new ATOM 0 HA PHE A 33 8.463 1.097 1.410 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.409 0.618 -1.582 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.837 0.629 -0.565 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.902 -0.816 1.701 1.00 2.01 H new ATOM 0 HD2 PHE A 33 9.248 -1.686 -2.247 1.00 1.79 H new ATOM 0 HE1 PHE A 33 7.594 -3.211 2.130 1.00 2.28 H new ATOM 0 HE2 PHE A 33 8.945 -4.086 -1.817 1.00 2.06 H new ATOM 0 HZ PHE A 33 8.111 -4.855 0.369 1.00 2.01 H new ATOM 549 N ARG A 34 9.497 3.257 0.097 1.00 1.04 N ATOM 550 CA ARG A 34 9.701 4.652 -0.238 1.00 1.17 C ATOM 551 C ARG A 34 9.701 4.822 -1.747 1.00 1.03 C ATOM 552 O ARG A 34 10.361 4.066 -2.468 1.00 1.87 O ATOM 553 CB ARG A 34 10.963 5.237 0.409 1.00 1.83 C ATOM 554 CG ARG A 34 12.278 4.634 -0.041 1.00 2.51 C ATOM 555 CD ARG A 34 13.416 5.254 0.749 1.00 3.05 C ATOM 556 NE ARG A 34 14.736 4.886 0.249 1.00 3.66 N ATOM 557 CZ ARG A 34 15.871 5.392 0.734 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.853 6.067 1.882 1.00 4.48 N ATOM 559 NH2 ARG A 34 17.032 5.036 0.212 1.00 5.12 N ATOM 0 H ARG A 34 10.337 2.727 0.328 1.00 1.04 H new ATOM 0 HA ARG A 34 8.871 5.224 0.177 1.00 1.17 H new ATOM 0 HB2 ARG A 34 10.988 6.308 0.207 1.00 1.83 H new ATOM 0 HB3 ARG A 34 10.882 5.119 1.490 1.00 1.83 H new ATOM 0 HG2 ARG A 34 12.265 3.554 0.107 1.00 2.51 H new ATOM 0 HG3 ARG A 34 12.424 4.808 -1.107 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.316 6.339 0.725 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.333 4.949 1.792 1.00 3.05 H new ATOM 0 HE ARG A 34 14.794 4.207 -0.510 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.975 6.194 2.385 1.00 4.48 H new ATOM 0 HH12 ARG A 34 16.717 6.456 2.258 1.00 4.48 H new ATOM 0 HH21 ARG A 34 17.061 4.373 -0.563 1.00 5.12 H new ATOM 0 HH22 ARG A 34 17.899 5.424 0.584 1.00 5.12 H new ATOM 573 N ASN A 35 8.921 5.804 -2.204 1.00 0.98 N ATOM 574 CA ASN A 35 8.760 6.123 -3.624 1.00 1.38 C ATOM 575 C ASN A 35 7.836 5.124 -4.333 1.00 1.09 C ATOM 576 O ASN A 35 7.830 5.063 -5.565 1.00 1.24 O ATOM 577 CB ASN A 35 10.110 6.178 -4.355 1.00 2.08 C ATOM 578 CG ASN A 35 10.166 7.250 -5.426 1.00 2.84 C ATOM 579 OD1 ASN A 35 9.205 7.471 -6.160 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.307 7.907 -5.541 1.00 3.64 N ATOM 0 H ASN A 35 8.376 6.408 -1.589 1.00 0.98 H new ATOM 0 HA ASN A 35 8.301 7.111 -3.662 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.902 6.358 -3.628 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.309 5.208 -4.810 1.00 2.08 H new ATOM 0 HD21 ASN A 35 11.412 8.625 -6.257 1.00 3.64 H new ATOM 0 HD22 ASN A 35 12.083 7.696 -4.913 1.00 3.64 H new ATOM 587 N LYS A 36 7.025 4.361 -3.576 1.00 0.89 N ATOM 588 CA LYS A 36 6.092 3.408 -4.193 1.00 0.69 C ATOM 589 C LYS A 36 5.249 2.657 -3.154 1.00 0.66 C ATOM 590 O LYS A 36 5.530 2.675 -1.964 1.00 0.77 O ATOM 591 CB LYS A 36 6.836 2.377 -5.043 1.00 0.80 C ATOM 592 CG LYS A 36 7.641 1.378 -4.220 1.00 1.05 C ATOM 593 CD LYS A 36 7.910 0.102 -4.997 1.00 1.32 C ATOM 594 CE LYS A 36 8.752 0.377 -6.227 1.00 1.84 C ATOM 595 NZ LYS A 36 9.058 -0.862 -6.991 1.00 2.23 N ATOM 0 H LYS A 36 6.998 4.386 -2.557 1.00 0.89 H new ATOM 0 HA LYS A 36 5.429 4.005 -4.820 1.00 0.69 H new ATOM 0 HB2 LYS A 36 6.116 1.835 -5.655 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.507 2.897 -5.726 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.587 1.830 -3.922 1.00 1.05 H new ATOM 0 HG3 LYS A 36 7.100 1.140 -3.304 1.00 1.05 H new ATOM 0 HD2 LYS A 36 8.421 -0.616 -4.356 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.965 -0.352 -5.294 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.227 1.080 -6.874 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.684 0.855 -5.927 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 9.635 -0.623 -7.823 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 9.582 -1.524 -6.384 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.171 -1.306 -7.302 1.00 2.23 H new ATOM 609 N ILE A 37 4.247 1.950 -3.653 1.00 0.61 N ATOM 610 CA ILE A 37 3.368 1.117 -2.835 1.00 0.60 C ATOM 611 C ILE A 37 3.256 -0.238 -3.526 1.00 0.54 C ATOM 612 O ILE A 37 2.702 -0.339 -4.622 1.00 0.75 O ATOM 613 CB ILE A 37 1.962 1.730 -2.644 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.050 2.997 -1.786 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.022 0.701 -2.013 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.716 3.671 -1.534 1.00 1.01 C ATOM 0 H ILE A 37 4.016 1.936 -4.646 1.00 0.61 H new ATOM 0 HA ILE A 37 3.796 1.029 -1.837 1.00 0.60 H new ATOM 0 HB ILE A 37 1.558 2.008 -3.617 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.502 2.742 -0.828 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.717 3.708 -2.275 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.034 1.143 -1.883 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.947 -0.170 -2.664 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.414 0.397 -1.043 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.867 4.559 -0.920 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.269 3.960 -2.485 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.051 2.980 -1.016 1.00 1.01 H new ATOM 628 N MET A 38 3.836 -1.259 -2.923 1.00 0.51 N ATOM 629 CA MET A 38 3.850 -2.582 -3.525 1.00 0.59 C ATOM 630 C MET A 38 3.038 -3.600 -2.735 1.00 0.60 C ATOM 631 O MET A 38 3.350 -3.928 -1.597 1.00 0.98 O ATOM 632 CB MET A 38 5.303 -3.062 -3.662 1.00 0.75 C ATOM 633 CG MET A 38 5.439 -4.518 -4.083 1.00 1.40 C ATOM 634 SD MET A 38 7.152 -5.079 -4.151 1.00 1.72 S ATOM 635 CE MET A 38 6.919 -6.795 -4.617 1.00 2.53 C ATOM 0 H MET A 38 4.303 -1.199 -2.018 1.00 0.51 H new ATOM 0 HA MET A 38 3.382 -2.500 -4.506 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.814 -2.435 -4.392 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.812 -2.921 -2.709 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.885 -5.145 -3.384 1.00 1.40 H new ATOM 0 HG3 MET A 38 4.980 -4.651 -5.063 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.889 -7.284 -4.701 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.322 -7.300 -3.858 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.403 -6.845 -5.576 1.00 2.53 H new ATOM 645 N PHE A 39 2.010 -4.127 -3.366 1.00 0.61 N ATOM 646 CA PHE A 39 1.182 -5.138 -2.743 1.00 0.71 C ATOM 647 C PHE A 39 1.059 -6.347 -3.658 1.00 0.72 C ATOM 648 O PHE A 39 1.391 -6.281 -4.842 1.00 1.08 O ATOM 649 CB PHE A 39 -0.199 -4.582 -2.368 1.00 1.11 C ATOM 650 CG PHE A 39 -0.913 -3.874 -3.488 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.614 -2.553 -3.784 1.00 1.31 C ATOM 652 CD2 PHE A 39 -1.874 -4.527 -4.241 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.260 -1.898 -4.812 1.00 1.69 C ATOM 654 CE2 PHE A 39 -2.525 -3.875 -5.271 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.212 -2.559 -5.558 1.00 1.57 C ATOM 0 H PHE A 39 1.727 -3.871 -4.312 1.00 0.61 H new ATOM 0 HA PHE A 39 1.663 -5.451 -1.816 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -0.824 -5.403 -2.018 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.084 -3.891 -1.533 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.133 -2.031 -3.204 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -2.117 -5.556 -4.021 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -1.020 -0.868 -5.032 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -3.276 -4.392 -5.850 1.00 1.66 H new ATOM 0 HZ PHE A 39 -2.714 -2.049 -6.367 1.00 1.57 H new ATOM 665 N THR A 40 0.610 -7.453 -3.092 1.00 0.63 N ATOM 666 CA THR A 40 0.467 -8.698 -3.835 1.00 0.74 C ATOM 667 C THR A 40 -0.970 -9.203 -3.728 1.00 0.84 C ATOM 668 O THR A 40 -1.532 -9.256 -2.634 1.00 1.16 O ATOM 669 CB THR A 40 1.446 -9.735 -3.290 1.00 0.98 C ATOM 670 OG1 THR A 40 2.683 -9.116 -2.960 1.00 1.45 O ATOM 671 CG2 THR A 40 1.747 -10.854 -4.265 1.00 1.35 C ATOM 0 H THR A 40 0.335 -7.517 -2.112 1.00 0.63 H new ATOM 0 HA THR A 40 0.693 -8.524 -4.887 1.00 0.74 H new ATOM 0 HB THR A 40 0.959 -10.163 -2.414 1.00 0.98 H new ATOM 0 HG1 THR A 40 3.303 -9.790 -2.610 1.00 1.45 H new ATOM 0 HG21 THR A 40 2.449 -11.553 -3.811 1.00 1.35 H new ATOM 0 HG22 THR A 40 0.824 -11.377 -4.515 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.185 -10.438 -5.172 1.00 1.35 H new ATOM 679 N GLU A 41 -1.565 -9.540 -4.864 1.00 1.04 N ATOM 680 CA GLU A 41 -2.944 -10.009 -4.899 1.00 1.27 C ATOM 681 C GLU A 41 -3.031 -11.499 -4.599 1.00 1.20 C ATOM 682 O GLU A 41 -2.255 -12.293 -5.129 1.00 1.66 O ATOM 683 CB GLU A 41 -3.552 -9.736 -6.274 1.00 1.89 C ATOM 684 CG GLU A 41 -3.260 -8.348 -6.812 1.00 2.55 C ATOM 685 CD GLU A 41 -3.878 -8.134 -8.180 1.00 3.05 C ATOM 686 OE1 GLU A 41 -3.614 -8.950 -9.085 1.00 3.56 O ATOM 687 OE2 GLU A 41 -4.650 -7.171 -8.348 1.00 3.46 O ATOM 0 H GLU A 41 -1.112 -9.497 -5.777 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.499 -9.469 -4.132 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.174 -10.475 -6.980 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -4.632 -9.873 -6.216 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.645 -7.601 -6.118 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -2.182 -8.201 -6.873 1.00 2.55 H new ATOM 694 N GLN A 42 -3.988 -11.867 -3.762 1.00 1.08 N ATOM 695 CA GLN A 42 -4.212 -13.257 -3.387 1.00 1.24 C ATOM 696 C GLN A 42 -5.706 -13.466 -3.127 1.00 1.37 C ATOM 697 O GLN A 42 -6.311 -12.704 -2.387 1.00 1.84 O ATOM 698 CB GLN A 42 -3.416 -13.621 -2.122 1.00 1.58 C ATOM 699 CG GLN A 42 -1.905 -13.456 -2.244 1.00 2.34 C ATOM 700 CD GLN A 42 -1.159 -13.999 -1.040 1.00 2.87 C ATOM 701 OE1 GLN A 42 -1.433 -13.627 0.100 1.00 3.26 O ATOM 702 NE2 GLN A 42 -0.197 -14.873 -1.286 1.00 3.46 N ATOM 0 H GLN A 42 -4.633 -11.211 -3.322 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.875 -13.900 -4.200 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.769 -13.001 -1.298 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.634 -14.656 -1.859 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -1.559 -13.968 -3.142 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -1.668 -12.399 -2.368 1.00 2.34 H new ATOM 0 HE21 GLN A 42 0.001 -15.157 -2.245 1.00 3.46 H new ATOM 0 HE22 GLN A 42 0.347 -15.263 -0.516 1.00 3.46 H new ATOM 711 N ASP A 43 -6.307 -14.491 -3.715 1.00 1.32 N ATOM 712 CA ASP A 43 -7.729 -14.742 -3.491 1.00 1.60 C ATOM 713 C ASP A 43 -7.871 -15.870 -2.467 1.00 1.62 C ATOM 714 O ASP A 43 -6.869 -16.478 -2.088 1.00 1.97 O ATOM 715 CB ASP A 43 -8.437 -15.070 -4.817 1.00 2.08 C ATOM 716 CG ASP A 43 -9.947 -14.865 -4.770 1.00 2.50 C ATOM 717 OD1 ASP A 43 -10.507 -14.671 -3.670 1.00 2.87 O ATOM 718 OD2 ASP A 43 -10.585 -14.906 -5.846 1.00 2.96 O ATOM 0 H ASP A 43 -5.846 -15.152 -4.340 1.00 1.32 H new ATOM 0 HA ASP A 43 -8.211 -13.849 -3.094 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -8.019 -14.446 -5.607 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -8.228 -16.106 -5.084 1.00 2.08 H new ATOM 723 N ALA A 44 -9.091 -16.114 -1.996 1.00 1.87 N ATOM 724 CA ALA A 44 -9.356 -17.143 -0.984 1.00 2.28 C ATOM 725 C ALA A 44 -8.742 -18.487 -1.365 1.00 2.75 C ATOM 726 O ALA A 44 -9.220 -19.147 -2.281 1.00 3.39 O ATOM 727 CB ALA A 44 -10.860 -17.294 -0.780 1.00 2.82 C ATOM 0 H ALA A 44 -9.923 -15.609 -2.301 1.00 1.87 H new ATOM 0 HA ALA A 44 -8.890 -16.821 -0.053 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -11.050 -18.059 -0.028 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -11.279 -16.345 -0.446 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -11.327 -17.586 -1.721 1.00 2.82 H new ATOM 733 N SER A 45 -7.677 -18.871 -0.651 1.00 3.20 N ATOM 734 CA SER A 45 -6.962 -20.122 -0.891 1.00 4.25 C ATOM 735 C SER A 45 -6.341 -20.123 -2.292 1.00 4.77 C ATOM 736 O SER A 45 -5.177 -19.756 -2.464 1.00 5.30 O ATOM 737 CB SER A 45 -7.886 -21.330 -0.682 1.00 4.93 C ATOM 738 OG SER A 45 -7.168 -22.548 -0.786 1.00 5.22 O ATOM 0 H SER A 45 -7.288 -18.317 0.112 1.00 3.20 H new ATOM 0 HA SER A 45 -6.152 -20.203 -0.166 1.00 4.25 H new ATOM 0 HB2 SER A 45 -8.358 -21.265 0.299 1.00 4.93 H new ATOM 0 HB3 SER A 45 -8.686 -21.312 -1.422 1.00 4.93 H new ATOM 0 HG SER A 45 -7.780 -23.301 -0.647 1.00 5.22 H new ATOM 744 N THR A 46 -7.127 -20.488 -3.286 1.00 5.00 N ATOM 745 CA THR A 46 -6.678 -20.486 -4.660 1.00 5.82 C ATOM 746 C THR A 46 -7.656 -19.652 -5.476 1.00 5.62 C ATOM 747 O THR A 46 -7.319 -18.551 -5.915 1.00 5.88 O ATOM 748 CB THR A 46 -6.560 -21.914 -5.198 1.00 6.59 C ATOM 749 OG1 THR A 46 -7.638 -22.721 -4.745 1.00 6.31 O ATOM 750 CG2 THR A 46 -5.268 -22.595 -4.803 1.00 7.39 C ATOM 0 H THR A 46 -8.092 -20.793 -3.162 1.00 5.00 H new ATOM 0 HA THR A 46 -5.683 -20.047 -4.732 1.00 5.82 H new ATOM 0 HB THR A 46 -6.581 -21.815 -6.283 1.00 6.59 H new ATOM 0 HG1 THR A 46 -7.541 -23.628 -5.104 1.00 6.31 H new ATOM 0 HG21 THR A 46 -5.247 -23.604 -5.216 1.00 7.39 H new ATOM 0 HG22 THR A 46 -4.423 -22.026 -5.192 1.00 7.39 H new ATOM 0 HG23 THR A 46 -5.201 -22.646 -3.716 1.00 7.39 H new ATOM 758 N SER A 47 -8.883 -20.165 -5.616 1.00 5.54 N ATOM 759 CA SER A 47 -9.965 -19.475 -6.324 1.00 5.68 C ATOM 760 C SER A 47 -9.634 -19.229 -7.813 1.00 5.14 C ATOM 761 O SER A 47 -8.490 -18.975 -8.180 1.00 5.00 O ATOM 762 CB SER A 47 -10.297 -18.162 -5.585 1.00 6.41 C ATOM 763 OG SER A 47 -11.274 -17.390 -6.265 1.00 6.89 O ATOM 0 H SER A 47 -9.154 -21.074 -5.240 1.00 5.54 H new ATOM 0 HA SER A 47 -10.845 -20.119 -6.322 1.00 5.68 H new ATOM 0 HB2 SER A 47 -10.655 -18.394 -4.582 1.00 6.41 H new ATOM 0 HB3 SER A 47 -9.387 -17.573 -5.471 1.00 6.41 H new ATOM 0 HG SER A 47 -11.095 -16.437 -6.122 1.00 6.89 H new ATOM 769 N PRO A 48 -10.653 -19.326 -8.695 1.00 5.23 N ATOM 770 CA PRO A 48 -10.489 -19.131 -10.144 1.00 5.13 C ATOM 771 C PRO A 48 -9.702 -17.863 -10.514 1.00 4.48 C ATOM 772 O PRO A 48 -8.718 -17.958 -11.250 1.00 4.75 O ATOM 773 CB PRO A 48 -11.926 -19.039 -10.657 1.00 5.87 C ATOM 774 CG PRO A 48 -12.717 -19.842 -9.687 1.00 6.34 C ATOM 775 CD PRO A 48 -12.048 -19.658 -8.349 1.00 5.91 C ATOM 0 HA PRO A 48 -9.908 -19.941 -10.584 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -12.270 -18.005 -10.691 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -12.013 -19.438 -11.668 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -13.753 -19.504 -9.655 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -12.733 -20.894 -9.973 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -12.518 -18.861 -7.773 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -12.106 -20.564 -7.745 1.00 5.91 H new ATOM 783 N PRO A 49 -10.096 -16.655 -10.022 1.00 4.08 N ATOM 784 CA PRO A 49 -9.374 -15.420 -10.345 1.00 3.90 C ATOM 785 C PRO A 49 -7.946 -15.436 -9.809 1.00 3.66 C ATOM 786 O PRO A 49 -6.997 -15.157 -10.543 1.00 4.13 O ATOM 787 CB PRO A 49 -10.187 -14.314 -9.653 1.00 4.20 C ATOM 788 CG PRO A 49 -11.518 -14.926 -9.387 1.00 4.54 C ATOM 789 CD PRO A 49 -11.246 -16.380 -9.138 1.00 4.40 C ATOM 0 HA PRO A 49 -9.284 -15.280 -11.422 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -9.708 -13.992 -8.728 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -10.277 -13.433 -10.289 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -11.998 -14.463 -8.525 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -12.189 -14.792 -10.236 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -11.007 -16.573 -8.092 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -12.106 -17.001 -9.389 1.00 4.40 H new ATOM 797 N SER A 50 -7.815 -15.753 -8.518 1.00 3.25 N ATOM 798 CA SER A 50 -6.523 -15.793 -7.833 1.00 3.42 C ATOM 799 C SER A 50 -5.910 -14.392 -7.787 1.00 2.88 C ATOM 800 O SER A 50 -6.193 -13.611 -6.877 1.00 3.28 O ATOM 801 CB SER A 50 -5.559 -16.779 -8.508 1.00 4.28 C ATOM 802 OG SER A 50 -6.075 -18.098 -8.514 1.00 4.85 O ATOM 0 H SER A 50 -8.605 -15.990 -7.918 1.00 3.25 H new ATOM 0 HA SER A 50 -6.692 -16.142 -6.814 1.00 3.42 H new ATOM 0 HB2 SER A 50 -5.369 -16.458 -9.532 1.00 4.28 H new ATOM 0 HB3 SER A 50 -4.602 -16.766 -7.987 1.00 4.28 H new ATOM 0 HG SER A 50 -6.931 -18.116 -8.038 1.00 4.85 H new ATOM 808 N TYR A 51 -5.102 -14.066 -8.784 1.00 2.46 N ATOM 809 CA TYR A 51 -4.481 -12.760 -8.880 1.00 2.13 C ATOM 810 C TYR A 51 -4.420 -12.343 -10.338 1.00 2.52 C ATOM 811 O TYR A 51 -4.545 -13.178 -11.233 1.00 3.20 O ATOM 812 CB TYR A 51 -3.072 -12.767 -8.277 1.00 2.21 C ATOM 813 CG TYR A 51 -2.029 -13.462 -9.122 1.00 2.58 C ATOM 814 CD1 TYR A 51 -2.176 -14.782 -9.526 1.00 3.33 C ATOM 815 CD2 TYR A 51 -0.887 -12.780 -9.506 1.00 2.99 C ATOM 816 CE1 TYR A 51 -1.204 -15.406 -10.286 1.00 4.15 C ATOM 817 CE2 TYR A 51 0.091 -13.393 -10.265 1.00 3.82 C ATOM 818 CZ TYR A 51 -0.072 -14.706 -10.655 1.00 4.30 C ATOM 819 OH TYR A 51 0.903 -15.327 -11.413 1.00 5.34 O ATOM 0 H TYR A 51 -4.861 -14.700 -9.546 1.00 2.46 H new ATOM 0 HA TYR A 51 -5.081 -12.047 -8.314 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -2.758 -11.737 -8.110 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -3.111 -13.251 -7.301 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -3.063 -15.330 -9.242 1.00 3.33 H new ATOM 0 HD2 TYR A 51 -0.758 -11.750 -9.207 1.00 2.99 H new ATOM 0 HE1 TYR A 51 -1.329 -16.435 -10.589 1.00 4.15 H new ATOM 0 HE2 TYR A 51 0.978 -12.847 -10.551 1.00 3.82 H new ATOM 0 HH TYR A 51 1.633 -14.696 -11.588 1.00 5.34 H new ATOM 829 N THR A 52 -4.210 -11.071 -10.580 1.00 2.67 N ATOM 830 CA THR A 52 -4.111 -10.575 -11.934 1.00 3.45 C ATOM 831 C THR A 52 -2.642 -10.411 -12.281 1.00 3.24 C ATOM 832 O THR A 52 -2.149 -10.987 -13.253 1.00 3.53 O ATOM 833 CB THR A 52 -4.863 -9.249 -12.064 1.00 4.25 C ATOM 834 OG1 THR A 52 -6.111 -9.318 -11.385 1.00 4.76 O ATOM 835 CG2 THR A 52 -5.140 -8.871 -13.499 1.00 4.89 C ATOM 0 H THR A 52 -4.104 -10.359 -9.857 1.00 2.67 H new ATOM 0 HA THR A 52 -4.566 -11.280 -12.630 1.00 3.45 H new ATOM 0 HB THR A 52 -4.215 -8.492 -11.622 1.00 4.25 H new ATOM 0 HG1 THR A 52 -6.736 -8.676 -11.782 1.00 4.76 H new ATOM 0 HG21 THR A 52 -5.675 -7.922 -13.528 1.00 4.89 H new ATOM 0 HG22 THR A 52 -4.198 -8.773 -14.038 1.00 4.89 H new ATOM 0 HG23 THR A 52 -5.747 -9.645 -13.968 1.00 4.89 H new ATOM 843 N HIS A 53 -1.952 -9.652 -11.439 1.00 3.23 N ATOM 844 CA HIS A 53 -0.525 -9.394 -11.565 1.00 3.30 C ATOM 845 C HIS A 53 -0.021 -8.885 -10.230 1.00 2.67 C ATOM 846 O HIS A 53 -0.788 -8.794 -9.275 1.00 3.21 O ATOM 847 CB HIS A 53 -0.234 -8.326 -12.628 1.00 4.24 C ATOM 848 CG HIS A 53 -0.328 -8.809 -14.038 1.00 4.85 C ATOM 849 ND1 HIS A 53 0.456 -9.823 -14.555 1.00 5.28 N ATOM 850 CD2 HIS A 53 -1.136 -8.411 -15.039 1.00 5.52 C ATOM 851 CE1 HIS A 53 0.125 -10.020 -15.814 1.00 6.09 C ATOM 852 NE2 HIS A 53 -0.839 -9.178 -16.133 1.00 6.21 N ATOM 0 H HIS A 53 -2.377 -9.190 -10.635 1.00 3.23 H new ATOM 0 HA HIS A 53 -0.030 -10.318 -11.862 1.00 3.30 H new ATOM 0 HB2 HIS A 53 -0.932 -7.499 -12.494 1.00 4.24 H new ATOM 0 HB3 HIS A 53 0.767 -7.929 -12.460 1.00 4.24 H new ATOM 0 HD2 HIS A 53 -1.881 -7.631 -14.988 1.00 5.52 H new ATOM 0 HE1 HIS A 53 0.569 -10.749 -16.475 1.00 6.09 H new ATOM 0 HE2 HIS A 53 -1.289 -9.110 -17.046 1.00 6.21 H new ATOM 861 N TYR A 54 1.232 -8.489 -10.167 1.00 2.10 N ATOM 862 CA TYR A 54 1.760 -7.921 -8.943 1.00 2.00 C ATOM 863 C TYR A 54 1.621 -6.415 -9.060 1.00 1.62 C ATOM 864 O TYR A 54 2.596 -5.700 -9.305 1.00 1.96 O ATOM 865 CB TYR A 54 3.216 -8.336 -8.701 1.00 2.78 C ATOM 866 CG TYR A 54 3.395 -9.803 -8.340 1.00 3.45 C ATOM 867 CD1 TYR A 54 2.302 -10.619 -8.074 1.00 4.24 C ATOM 868 CD2 TYR A 54 4.664 -10.361 -8.248 1.00 3.89 C ATOM 869 CE1 TYR A 54 2.465 -11.947 -7.734 1.00 5.15 C ATOM 870 CE2 TYR A 54 4.834 -11.691 -7.905 1.00 4.87 C ATOM 871 CZ TYR A 54 3.733 -12.480 -7.650 1.00 5.40 C ATOM 872 OH TYR A 54 3.898 -13.807 -7.307 1.00 6.50 O ATOM 0 H TYR A 54 1.898 -8.548 -10.938 1.00 2.10 H new ATOM 0 HA TYR A 54 1.204 -8.293 -8.082 1.00 2.00 H new ATOM 0 HB2 TYR A 54 3.797 -8.121 -9.598 1.00 2.78 H new ATOM 0 HB3 TYR A 54 3.628 -7.723 -7.899 1.00 2.78 H new ATOM 0 HD1 TYR A 54 1.306 -10.206 -8.134 1.00 4.24 H new ATOM 0 HD2 TYR A 54 5.531 -9.748 -8.447 1.00 3.89 H new ATOM 0 HE1 TYR A 54 1.602 -12.566 -7.535 1.00 5.15 H new ATOM 0 HE2 TYR A 54 5.827 -12.110 -7.837 1.00 4.87 H new ATOM 0 HH TYR A 54 4.853 -14.025 -7.293 1.00 6.50 H new ATOM 882 N SER A 55 0.377 -5.965 -8.941 1.00 1.34 N ATOM 883 CA SER A 55 0.019 -4.560 -9.076 1.00 1.50 C ATOM 884 C SER A 55 0.915 -3.648 -8.236 1.00 1.20 C ATOM 885 O SER A 55 1.044 -3.816 -7.017 1.00 1.33 O ATOM 886 CB SER A 55 -1.458 -4.368 -8.710 1.00 2.13 C ATOM 887 OG SER A 55 -2.295 -5.171 -9.535 1.00 2.61 O ATOM 0 H SER A 55 -0.419 -6.573 -8.746 1.00 1.34 H new ATOM 0 HA SER A 55 0.174 -4.272 -10.116 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.614 -4.629 -7.663 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.731 -3.318 -8.821 1.00 2.13 H new ATOM 0 HG SER A 55 -2.904 -5.693 -8.973 1.00 2.61 H new ATOM 893 N SER A 56 1.527 -2.680 -8.902 1.00 1.07 N ATOM 894 CA SER A 56 2.399 -1.724 -8.251 1.00 0.91 C ATOM 895 C SER A 56 1.756 -0.348 -8.294 1.00 0.80 C ATOM 896 O SER A 56 1.161 0.039 -9.305 1.00 0.93 O ATOM 897 CB SER A 56 3.776 -1.701 -8.930 1.00 1.09 C ATOM 898 OG SER A 56 4.695 -0.878 -8.222 1.00 1.73 O ATOM 0 H SER A 56 1.431 -2.538 -9.908 1.00 1.07 H new ATOM 0 HA SER A 56 2.544 -2.018 -7.212 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.169 -2.716 -8.992 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.672 -1.336 -9.952 1.00 1.09 H new ATOM 0 HG SER A 56 5.562 -0.887 -8.680 1.00 1.73 H new ATOM 904 N ILE A 57 1.862 0.388 -7.203 1.00 0.68 N ATOM 905 CA ILE A 57 1.283 1.714 -7.130 1.00 0.67 C ATOM 906 C ILE A 57 2.372 2.771 -7.058 1.00 0.63 C ATOM 907 O ILE A 57 3.317 2.669 -6.273 1.00 0.81 O ATOM 908 CB ILE A 57 0.325 1.864 -5.927 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.961 1.065 -6.167 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.001 3.332 -5.660 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.782 1.540 -7.347 1.00 0.81 C ATOM 0 H ILE A 57 2.344 0.089 -6.356 1.00 0.68 H new ATOM 0 HA ILE A 57 0.701 1.858 -8.040 1.00 0.67 H new ATOM 0 HB ILE A 57 0.825 1.466 -5.044 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.700 0.018 -6.320 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.577 1.113 -5.269 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.675 3.406 -4.808 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.921 3.874 -5.441 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.475 3.765 -6.540 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.673 0.920 -7.444 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.077 2.577 -7.191 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.187 1.465 -8.258 1.00 0.81 H new ATOM 923 N ARG A 58 2.204 3.779 -7.882 1.00 0.66 N ATOM 924 CA ARG A 58 3.135 4.882 -7.937 1.00 0.73 C ATOM 925 C ARG A 58 2.847 5.846 -6.804 1.00 0.75 C ATOM 926 O ARG A 58 1.782 6.443 -6.728 1.00 0.91 O ATOM 927 CB ARG A 58 3.018 5.602 -9.259 1.00 0.96 C ATOM 928 CG ARG A 58 4.176 6.527 -9.587 1.00 1.24 C ATOM 929 CD ARG A 58 5.476 6.046 -8.983 1.00 1.86 C ATOM 930 NE ARG A 58 6.600 6.900 -9.364 1.00 2.47 N ATOM 931 CZ ARG A 58 7.845 6.741 -8.911 1.00 2.95 C ATOM 932 NH1 ARG A 58 8.160 5.656 -8.213 1.00 3.22 N ATOM 933 NH2 ARG A 58 8.798 7.588 -9.278 1.00 3.70 N ATOM 0 H ARG A 58 1.421 3.858 -8.531 1.00 0.66 H new ATOM 0 HA ARG A 58 4.149 4.494 -7.837 1.00 0.73 H new ATOM 0 HB2 ARG A 58 2.928 4.861 -10.053 1.00 0.96 H new ATOM 0 HB3 ARG A 58 2.096 6.183 -9.259 1.00 0.96 H new ATOM 0 HG2 ARG A 58 4.285 6.601 -10.669 1.00 1.24 H new ATOM 0 HG3 ARG A 58 3.955 7.529 -9.219 1.00 1.24 H new ATOM 0 HD2 ARG A 58 5.387 6.026 -7.897 1.00 1.86 H new ATOM 0 HD3 ARG A 58 5.671 5.023 -9.306 1.00 1.86 H new ATOM 0 HE ARG A 58 6.422 7.664 -10.016 1.00 2.47 H new ATOM 0 HH11 ARG A 58 7.451 4.947 -8.025 1.00 3.22 H new ATOM 0 HH12 ARG A 58 9.111 5.531 -7.865 1.00 3.22 H new ATOM 0 HH21 ARG A 58 8.579 8.361 -9.907 1.00 3.70 H new ATOM 0 HH22 ARG A 58 9.750 7.466 -8.932 1.00 3.70 H new ATOM 947 N LEU A 59 3.820 5.981 -5.946 1.00 0.85 N ATOM 948 CA LEU A 59 3.747 6.856 -4.787 1.00 1.02 C ATOM 949 C LEU A 59 4.549 8.124 -5.065 1.00 1.15 C ATOM 950 O LEU A 59 5.408 8.517 -4.274 1.00 1.59 O ATOM 951 CB LEU A 59 4.324 6.131 -3.569 1.00 1.28 C ATOM 952 CG LEU A 59 4.118 6.805 -2.212 1.00 1.35 C ATOM 953 CD1 LEU A 59 2.683 6.651 -1.754 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.084 6.225 -1.187 1.00 1.79 C ATOM 0 H LEU A 59 4.706 5.481 -6.025 1.00 0.85 H new ATOM 0 HA LEU A 59 2.709 7.122 -4.587 1.00 1.02 H new ATOM 0 HB2 LEU A 59 3.884 5.135 -3.525 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.395 6.000 -3.726 1.00 1.28 H new ATOM 0 HG LEU A 59 4.324 7.870 -2.313 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.556 7.137 -0.787 1.00 1.35 H new ATOM 0 HD12 LEU A 59 2.017 7.113 -2.483 1.00 1.35 H new ATOM 0 HD13 LEU A 59 2.442 5.592 -1.663 1.00 1.35 H new ATOM 0 HD21 LEU A 59 4.929 6.712 -0.224 1.00 1.79 H new ATOM 0 HD22 LEU A 59 4.907 5.154 -1.085 1.00 1.79 H new ATOM 0 HD23 LEU A 59 6.109 6.393 -1.517 1.00 1.79 H new ATOM 966 N ASP A 60 4.292 8.713 -6.213 1.00 1.13 N ATOM 967 CA ASP A 60 5.014 9.921 -6.644 1.00 1.33 C ATOM 968 C ASP A 60 4.055 11.052 -6.991 1.00 1.33 C ATOM 969 O ASP A 60 4.175 12.166 -6.478 1.00 1.56 O ATOM 970 CB ASP A 60 5.844 9.586 -7.869 1.00 1.46 C ATOM 971 CG ASP A 60 6.965 10.569 -8.142 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.740 11.787 -8.052 1.00 2.52 O ATOM 973 OD2 ASP A 60 8.075 10.114 -8.489 1.00 2.27 O ATOM 0 H ASP A 60 3.589 8.385 -6.875 1.00 1.13 H new ATOM 0 HA ASP A 60 5.649 10.252 -5.822 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.270 8.590 -7.745 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.189 9.547 -8.739 1.00 1.46 H new ATOM 978 N LYS A 61 3.120 10.767 -7.894 1.00 1.22 N ATOM 979 CA LYS A 61 2.151 11.757 -8.349 1.00 1.28 C ATOM 980 C LYS A 61 0.782 11.107 -8.538 1.00 1.06 C ATOM 981 O LYS A 61 0.323 10.938 -9.669 1.00 1.27 O ATOM 982 CB LYS A 61 2.606 12.357 -9.683 1.00 1.60 C ATOM 983 CG LYS A 61 4.002 12.957 -9.655 1.00 1.93 C ATOM 984 CD LYS A 61 4.517 13.228 -11.059 1.00 2.55 C ATOM 985 CE LYS A 61 4.747 11.937 -11.832 1.00 3.16 C ATOM 986 NZ LYS A 61 4.956 12.183 -13.283 1.00 3.92 N ATOM 0 H LYS A 61 3.014 9.850 -8.327 1.00 1.22 H new ATOM 0 HA LYS A 61 2.079 12.543 -7.597 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.572 11.581 -10.448 1.00 1.60 H new ATOM 0 HB3 LYS A 61 1.897 13.129 -9.981 1.00 1.60 H new ATOM 0 HG2 LYS A 61 3.989 13.886 -9.085 1.00 1.93 H new ATOM 0 HG3 LYS A 61 4.682 12.277 -9.141 1.00 1.93 H new ATOM 0 HD2 LYS A 61 3.801 13.851 -11.595 1.00 2.55 H new ATOM 0 HD3 LYS A 61 5.449 13.790 -11.003 1.00 2.55 H new ATOM 0 HE2 LYS A 61 5.616 11.420 -11.424 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.891 11.276 -11.697 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 4.174 11.760 -13.823 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 4.986 13.207 -13.461 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 5.855 11.754 -13.582 1.00 3.92 H new ATOM 1000 N TYR A 62 0.134 10.738 -7.447 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.177 10.101 -7.521 1.00 0.69 C ATOM 1002 C TYR A 62 -2.111 10.724 -6.483 1.00 0.67 C ATOM 1003 O TYR A 62 -1.648 11.359 -5.534 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.064 8.572 -7.339 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.902 8.110 -5.909 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.250 8.406 -5.186 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -1.909 7.393 -5.269 1.00 1.49 C ATOM 1008 CE1 TYR A 62 0.395 7.996 -3.878 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.770 6.986 -3.958 1.00 1.84 C ATOM 1010 CZ TYR A 62 -0.620 7.291 -3.264 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.488 6.888 -1.957 1.00 2.21 O ATOM 0 H TYR A 62 0.490 10.866 -6.500 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.599 10.272 -8.512 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.955 8.104 -7.757 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.214 8.214 -7.919 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.044 8.966 -5.658 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -2.814 7.151 -5.807 1.00 1.49 H new ATOM 0 HE1 TYR A 62 1.300 8.226 -3.335 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -2.561 6.430 -3.477 1.00 1.84 H new ATOM 0 HH TYR A 62 0.080 7.524 -1.474 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.419 10.575 -6.671 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.377 11.154 -5.745 1.00 0.73 C ATOM 1023 C ASN A 63 -4.960 10.101 -4.820 1.00 0.64 C ATOM 1024 O ASN A 63 -5.770 9.277 -5.222 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.496 11.859 -6.500 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.475 12.535 -5.567 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -6.096 13.397 -4.777 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -7.733 12.146 -5.647 1.00 2.13 N ATOM 0 H ASN A 63 -3.833 10.063 -7.450 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.844 11.885 -5.137 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.067 12.601 -7.173 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.027 11.136 -7.119 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -8.436 12.565 -5.038 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -8.003 11.427 -6.318 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.560 10.153 -3.574 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.056 9.223 -2.573 1.00 0.70 C ATOM 1037 C ILE A 64 -5.942 9.983 -1.596 1.00 0.79 C ATOM 1038 O ILE A 64 -5.652 11.127 -1.254 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.911 8.498 -1.832 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.475 7.329 -1.025 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.131 9.457 -0.936 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.424 6.332 -0.593 1.00 1.18 C ATOM 0 H ILE A 64 -3.887 10.833 -3.220 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.635 8.448 -3.074 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.212 8.110 -2.573 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.980 7.718 -0.141 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.228 6.815 -1.622 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.333 8.914 -0.430 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.700 10.253 -1.543 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.803 9.890 -0.195 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -3.895 5.530 -0.025 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -2.935 5.915 -1.473 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.683 6.832 0.031 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.030 9.359 -1.169 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.965 10.002 -0.257 1.00 0.80 C ATOM 1056 C ARG A 65 -8.344 9.049 0.875 1.00 0.68 C ATOM 1057 O ARG A 65 -7.994 7.871 0.857 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.243 10.418 -1.006 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.051 11.465 -2.100 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.811 12.859 -1.536 1.00 1.78 C ATOM 1061 NE ARG A 65 -7.503 12.999 -0.894 1.00 2.20 N ATOM 1062 CZ ARG A 65 -7.103 14.098 -0.255 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -7.837 15.199 -0.318 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -5.915 14.145 0.334 1.00 3.57 N ATOM 0 H ARG A 65 -7.287 8.410 -1.439 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.480 10.886 0.157 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.688 9.529 -1.452 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.960 10.803 -0.280 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.206 11.180 -2.727 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.933 11.482 -2.741 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -8.895 13.590 -2.340 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -9.592 13.091 -0.812 1.00 1.78 H new ATOM 0 HE ARG A 65 -6.860 12.209 -0.938 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.705 15.203 -0.854 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -7.534 16.042 0.170 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -5.297 13.334 0.301 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -5.620 14.992 0.820 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.074 9.569 1.845 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.526 8.774 2.971 1.00 0.83 C ATOM 1080 C GLN A 66 -10.858 9.305 3.472 1.00 0.99 C ATOM 1081 O GLN A 66 -11.050 10.513 3.597 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.471 8.746 4.091 1.00 0.97 C ATOM 1083 CG GLN A 66 -7.835 10.092 4.407 1.00 1.30 C ATOM 1084 CD GLN A 66 -8.348 10.691 5.705 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -9.516 11.046 5.825 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -7.474 10.804 6.695 1.00 2.45 N ATOM 0 H GLN A 66 -9.368 10.545 1.875 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.667 7.745 2.642 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.935 8.358 4.998 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.684 8.046 3.811 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -6.753 9.973 4.469 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.033 10.784 3.589 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -6.510 10.499 6.561 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -7.766 11.196 7.590 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.786 8.401 3.737 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.112 8.773 4.205 1.00 1.14 C ATOM 1097 C HIS A 67 -13.381 8.129 5.550 1.00 1.30 C ATOM 1098 O HIS A 67 -13.588 6.923 5.627 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.178 8.334 3.201 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.099 9.058 1.888 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.532 10.354 1.712 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.601 8.666 0.694 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.303 10.729 0.466 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.738 9.721 -0.174 1.00 1.61 N ATOM 0 H HIS A 67 -11.644 7.396 3.635 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.153 9.857 4.307 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.079 7.263 3.023 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.164 8.495 3.637 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.174 7.701 0.465 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.538 11.695 0.043 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.451 9.726 -1.153 1.00 1.61 H new ATOM 1113 N THR A 68 -13.343 8.926 6.598 1.00 1.74 N ATOM 1114 CA THR A 68 -13.561 8.434 7.947 1.00 2.04 C ATOM 1115 C THR A 68 -15.004 8.683 8.404 1.00 1.92 C ATOM 1116 O THR A 68 -15.946 8.343 7.684 1.00 2.16 O ATOM 1117 CB THR A 68 -12.550 9.096 8.885 1.00 2.74 C ATOM 1118 OG1 THR A 68 -12.370 10.459 8.542 1.00 3.12 O ATOM 1119 CG2 THR A 68 -11.188 8.430 8.870 1.00 3.23 C ATOM 0 H THR A 68 -13.161 9.928 6.542 1.00 1.74 H new ATOM 0 HA THR A 68 -13.411 7.355 7.968 1.00 2.04 H new ATOM 0 HB THR A 68 -12.971 8.992 9.885 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.745 10.527 7.790 1.00 3.12 H new ATOM 0 HG21 THR A 68 -10.521 8.950 9.557 1.00 3.23 H new ATOM 0 HG22 THR A 68 -11.288 7.390 9.179 1.00 3.23 H new ATOM 0 HG23 THR A 68 -10.774 8.471 7.862 1.00 3.23 H new ATOM 1127 N THR A 69 -15.165 9.268 9.600 1.00 2.34 N ATOM 1128 CA THR A 69 -16.483 9.574 10.183 1.00 2.58 C ATOM 1129 C THR A 69 -17.210 8.299 10.632 1.00 2.35 C ATOM 1130 O THR A 69 -17.709 8.221 11.752 1.00 2.76 O ATOM 1131 CB THR A 69 -17.338 10.367 9.185 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.568 11.416 8.616 1.00 3.61 O ATOM 1133 CG2 THR A 69 -18.582 10.992 9.791 1.00 3.69 C ATOM 0 H THR A 69 -14.383 9.544 10.194 1.00 2.34 H new ATOM 0 HA THR A 69 -16.323 10.188 11.069 1.00 2.58 H new ATOM 0 HB THR A 69 -17.659 9.639 8.440 1.00 3.11 H new ATOM 0 HG1 THR A 69 -17.118 11.917 7.979 1.00 3.61 H new ATOM 0 HG21 THR A 69 -19.130 11.534 9.020 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.218 10.209 10.205 1.00 3.69 H new ATOM 0 HG23 THR A 69 -18.293 11.682 10.584 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.234 7.301 9.765 1.00 2.34 N ATOM 1142 CA ASP A 70 -17.868 6.027 10.076 1.00 2.43 C ATOM 1143 C ASP A 70 -16.810 4.941 10.198 1.00 2.17 C ATOM 1144 O ASP A 70 -16.658 4.311 11.248 1.00 2.45 O ATOM 1145 CB ASP A 70 -18.895 5.653 9.006 1.00 3.01 C ATOM 1146 CG ASP A 70 -19.484 4.276 9.232 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -20.074 4.046 10.306 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -19.362 3.418 8.335 1.00 3.96 O ATOM 0 H ASP A 70 -16.820 7.347 8.834 1.00 2.34 H new ATOM 0 HA ASP A 70 -18.392 6.123 11.027 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -19.696 6.392 9.000 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -18.423 5.687 8.024 1.00 3.01 H new ATOM 1153 N GLU A 71 -16.057 4.755 9.125 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.980 3.779 9.077 1.00 2.00 C ATOM 1155 C GLU A 71 -13.875 4.338 8.205 1.00 1.55 C ATOM 1156 O GLU A 71 -14.158 4.912 7.159 1.00 1.90 O ATOM 1157 CB GLU A 71 -15.463 2.449 8.492 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.465 1.308 8.603 1.00 3.30 C ATOM 1159 CD GLU A 71 -14.933 0.067 7.873 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -15.937 -0.541 8.308 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -14.328 -0.286 6.845 1.00 4.50 O ATOM 0 H GLU A 71 -16.177 5.280 8.259 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.623 3.591 10.089 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -16.384 2.159 8.997 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.709 2.598 7.441 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -13.505 1.626 8.197 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -14.303 1.070 9.654 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.638 4.193 8.636 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.490 4.695 7.881 1.00 1.10 C ATOM 1170 C ASP A 72 -11.319 3.967 6.556 1.00 0.90 C ATOM 1171 O ASP A 72 -10.647 2.940 6.460 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.198 4.645 8.712 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.032 3.401 9.569 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.919 2.524 9.582 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -9.015 3.326 10.287 1.00 2.67 O ATOM 0 H ASP A 72 -12.393 3.729 9.511 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.696 5.741 7.653 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.346 4.718 8.036 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.167 5.521 9.360 1.00 1.58 H new ATOM 1180 N THR A 73 -11.954 4.520 5.533 1.00 0.74 N ATOM 1181 CA THR A 73 -11.928 3.957 4.198 1.00 0.65 C ATOM 1182 C THR A 73 -10.880 4.657 3.324 1.00 0.60 C ATOM 1183 O THR A 73 -11.005 5.845 3.023 1.00 0.79 O ATOM 1184 CB THR A 73 -13.327 4.096 3.599 1.00 0.79 C ATOM 1185 OG1 THR A 73 -14.278 3.479 4.456 1.00 0.89 O ATOM 1186 CG2 THR A 73 -13.469 3.493 2.218 1.00 0.94 C ATOM 0 H THR A 73 -12.503 5.376 5.610 1.00 0.74 H new ATOM 0 HA THR A 73 -11.647 2.905 4.244 1.00 0.65 H new ATOM 0 HB THR A 73 -13.504 5.167 3.503 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.377 4.012 5.273 1.00 0.89 H new ATOM 0 HG21 THR A 73 -14.490 3.633 1.863 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.777 3.984 1.534 1.00 0.94 H new ATOM 0 HG23 THR A 73 -13.243 2.428 2.261 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.847 3.916 2.938 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.776 4.467 2.112 1.00 0.52 C ATOM 1196 C ILE A 74 -9.033 4.197 0.629 1.00 0.50 C ATOM 1197 O ILE A 74 -9.235 3.047 0.226 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.404 3.862 2.490 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -7.096 4.056 3.978 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.302 4.485 1.647 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.026 5.501 4.399 1.00 0.99 C ATOM 0 H ILE A 74 -9.728 2.933 3.183 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.760 5.542 2.294 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.448 2.791 2.291 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.862 3.552 4.567 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.147 3.573 4.209 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.342 4.050 1.924 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.497 4.292 0.592 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.276 5.561 1.820 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.804 5.559 5.465 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.240 6.006 3.837 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.982 5.985 4.200 1.00 0.99 H new ATOM 1213 N VAL A 75 -9.011 5.245 -0.188 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.219 5.106 -1.618 1.00 0.45 C ATOM 1215 C VAL A 75 -8.117 5.837 -2.369 1.00 0.46 C ATOM 1216 O VAL A 75 -7.415 6.668 -1.793 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.584 5.671 -2.070 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.737 5.086 -1.272 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.598 7.186 -1.993 1.00 1.19 C ATOM 0 H VAL A 75 -8.850 6.203 0.122 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.201 4.040 -1.843 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.722 5.374 -3.110 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.676 5.512 -1.624 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.758 4.004 -1.402 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.605 5.322 -0.216 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.570 7.558 -2.317 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.413 7.500 -0.966 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.821 7.590 -2.641 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.968 5.539 -3.650 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.951 6.182 -4.462 1.00 0.58 C ATOM 1231 C LEU A 76 -7.435 6.355 -5.894 1.00 0.59 C ATOM 1232 O LEU A 76 -7.967 5.427 -6.499 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.641 5.402 -4.425 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.729 3.965 -4.905 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -4.400 3.543 -5.501 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -6.148 3.032 -3.773 1.00 0.75 C ATOM 0 H LEU A 76 -8.539 4.856 -4.148 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.763 7.170 -4.042 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.907 5.928 -5.036 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -5.265 5.404 -3.402 1.00 0.74 H new ATOM 0 HG LEU A 76 -6.495 3.899 -5.678 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.467 2.511 -5.845 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -4.157 4.191 -6.343 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -3.620 3.624 -4.744 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -6.203 2.009 -4.146 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -5.416 3.086 -2.967 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -7.125 3.334 -3.396 1.00 0.75 H new ATOM 1248 N GLN A 77 -7.249 7.555 -6.413 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.665 7.895 -7.763 1.00 0.74 C ATOM 1250 C GLN A 77 -6.451 8.212 -8.632 1.00 0.78 C ATOM 1251 O GLN A 77 -5.571 8.976 -8.231 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.612 9.095 -7.725 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.915 8.789 -7.006 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.675 10.027 -6.585 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.260 10.744 -5.678 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -11.786 10.288 -7.248 1.00 2.03 N ATOM 0 H GLN A 77 -6.805 8.323 -5.910 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.186 7.041 -8.196 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.115 9.929 -7.230 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.830 9.413 -8.744 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.548 8.187 -7.658 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.701 8.186 -6.124 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -12.093 9.664 -7.994 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.338 11.113 -7.014 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.382 7.622 -9.831 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.269 7.841 -10.755 1.00 0.99 C ATOM 1267 C PRO A 78 -5.350 9.183 -11.487 1.00 1.02 C ATOM 1268 O PRO A 78 -6.407 9.563 -11.992 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.422 6.703 -11.757 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.884 6.408 -11.773 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.384 6.690 -10.382 1.00 1.20 C ATOM 0 HA PRO A 78 -4.315 7.862 -10.229 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -5.066 6.995 -12.745 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.845 5.829 -11.455 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.399 7.030 -12.505 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -7.069 5.370 -12.050 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.379 7.135 -10.397 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.452 5.778 -9.788 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.226 9.878 -11.578 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.170 11.152 -12.286 1.00 1.56 C ATOM 1281 C GLN A 79 -3.230 11.009 -13.475 1.00 1.66 C ATOM 1282 O GLN A 79 -3.062 11.920 -14.284 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.733 12.282 -11.343 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.399 12.046 -10.657 1.00 2.20 C ATOM 1285 CD GLN A 79 -2.121 13.063 -9.564 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -2.819 13.115 -8.550 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.110 13.889 -9.768 1.00 3.46 N ATOM 0 H GLN A 79 -3.339 9.582 -11.171 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.162 11.418 -12.652 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.677 13.211 -11.911 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.500 12.420 -10.581 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.386 11.044 -10.228 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.601 12.086 -11.398 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -0.555 13.815 -10.620 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.885 14.601 -9.073 1.00 3.46 H new ATOM 1296 N GLU A 80 -2.658 9.820 -13.594 1.00 1.50 N ATOM 1297 CA GLU A 80 -1.771 9.476 -14.685 1.00 1.81 C ATOM 1298 C GLU A 80 -2.246 8.150 -15.264 1.00 1.62 C ATOM 1299 O GLU A 80 -2.480 7.201 -14.510 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.322 9.351 -14.206 1.00 2.37 C ATOM 1301 CG GLU A 80 0.257 10.629 -13.625 1.00 3.06 C ATOM 1302 CD GLU A 80 1.764 10.562 -13.502 1.00 3.86 C ATOM 1303 OE1 GLU A 80 2.278 9.595 -12.902 1.00 4.42 O ATOM 1304 OE2 GLU A 80 2.446 11.481 -14.009 1.00 4.35 O ATOM 0 H GLU A 80 -2.801 9.062 -12.927 1.00 1.50 H new ATOM 0 HA GLU A 80 -1.795 10.262 -15.440 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -0.267 8.566 -13.452 1.00 2.37 H new ATOM 0 HB3 GLU A 80 0.299 9.033 -15.043 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -0.018 11.473 -14.258 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -0.179 10.812 -12.643 1.00 3.06 H new ATOM 1311 N PRO A 81 -2.427 8.062 -16.588 1.00 1.93 N ATOM 1312 CA PRO A 81 -2.911 6.839 -17.234 1.00 2.28 C ATOM 1313 C PRO A 81 -1.971 5.652 -17.037 1.00 2.24 C ATOM 1314 O PRO A 81 -0.872 5.612 -17.595 1.00 2.80 O ATOM 1315 CB PRO A 81 -3.001 7.202 -18.720 1.00 2.89 C ATOM 1316 CG PRO A 81 -2.927 8.686 -18.785 1.00 3.10 C ATOM 1317 CD PRO A 81 -2.201 9.148 -17.553 1.00 2.53 C ATOM 0 HA PRO A 81 -3.862 6.524 -16.805 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -2.187 6.746 -19.283 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -3.932 6.838 -19.155 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.401 9.006 -19.684 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -3.926 9.120 -18.828 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.139 9.297 -17.746 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -2.595 10.097 -17.188 1.00 2.53 H new ATOM 1325 N GLY A 82 -2.411 4.684 -16.246 1.00 1.99 N ATOM 1326 CA GLY A 82 -1.612 3.504 -15.989 1.00 2.10 C ATOM 1327 C GLY A 82 -1.870 2.947 -14.608 1.00 1.96 C ATOM 1328 O GLY A 82 -1.640 1.766 -14.349 1.00 2.51 O ATOM 0 H GLY A 82 -3.315 4.696 -15.774 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -1.835 2.743 -16.736 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -0.555 3.750 -16.091 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.349 3.807 -13.724 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.642 3.411 -12.361 1.00 1.40 C ATOM 1334 C LEU A 83 -4.120 3.107 -12.175 1.00 1.22 C ATOM 1335 O LEU A 83 -4.985 3.870 -12.613 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.214 4.509 -11.386 1.00 1.31 C ATOM 1337 CG LEU A 83 -0.707 4.628 -11.147 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -0.425 5.626 -10.033 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -0.128 3.265 -10.799 1.00 1.86 C ATOM 0 H LEU A 83 -2.543 4.787 -13.930 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.078 2.501 -12.153 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.582 5.465 -11.759 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -2.703 4.331 -10.428 1.00 1.31 H new ATOM 0 HG LEU A 83 -0.232 4.989 -12.059 1.00 1.47 H new ATOM 0 HD11 LEU A 83 0.651 5.700 -9.874 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -0.819 6.603 -10.312 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -0.905 5.290 -9.114 1.00 1.26 H new ATOM 0 HD21 LEU A 83 0.945 3.358 -10.630 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -0.606 2.887 -9.895 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -0.307 2.573 -11.622 1.00 1.86 H new ATOM 1351 N PRO A 84 -4.430 1.979 -11.524 1.00 1.33 N ATOM 1352 CA PRO A 84 -5.796 1.563 -11.263 1.00 1.29 C ATOM 1353 C PRO A 84 -6.340 2.217 -9.990 1.00 1.09 C ATOM 1354 O PRO A 84 -5.576 2.750 -9.184 1.00 1.15 O ATOM 1355 CB PRO A 84 -5.689 0.042 -11.085 1.00 1.58 C ATOM 1356 CG PRO A 84 -4.224 -0.293 -11.134 1.00 1.75 C ATOM 1357 CD PRO A 84 -3.474 1.005 -10.993 1.00 1.64 C ATOM 0 HA PRO A 84 -6.479 1.852 -12.062 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.126 -0.269 -10.136 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -6.233 -0.480 -11.873 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -3.958 -0.982 -10.332 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -3.971 -0.785 -12.073 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.215 1.214 -9.955 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -2.543 1.000 -11.559 1.00 1.64 H new ATOM 1365 N SER A 85 -7.648 2.164 -9.800 1.00 0.99 N ATOM 1366 CA SER A 85 -8.258 2.746 -8.611 1.00 0.88 C ATOM 1367 C SER A 85 -8.986 1.678 -7.806 1.00 0.63 C ATOM 1368 O SER A 85 -10.021 1.161 -8.226 1.00 0.82 O ATOM 1369 CB SER A 85 -9.207 3.890 -8.984 1.00 1.23 C ATOM 1370 OG SER A 85 -10.061 3.545 -10.066 1.00 1.43 O ATOM 0 H SER A 85 -8.305 1.728 -10.447 1.00 0.99 H new ATOM 0 HA SER A 85 -7.464 3.160 -7.990 1.00 0.88 H new ATOM 0 HB2 SER A 85 -9.811 4.157 -8.117 1.00 1.23 H new ATOM 0 HB3 SER A 85 -8.624 4.772 -9.250 1.00 1.23 H new ATOM 0 HG SER A 85 -10.393 2.631 -9.942 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.429 1.344 -6.653 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.018 0.327 -5.793 1.00 0.64 C ATOM 1378 C PHE A 86 -9.473 0.923 -4.462 1.00 0.57 C ATOM 1379 O PHE A 86 -9.278 2.113 -4.199 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.032 -0.832 -5.568 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.823 -0.527 -4.726 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.927 -0.423 -3.346 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -5.576 -0.383 -5.307 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.818 -0.185 -2.567 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.460 -0.136 -4.531 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.581 -0.038 -3.154 1.00 0.75 C ATOM 0 H PHE A 86 -7.571 1.761 -6.290 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.900 -0.068 -6.297 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.573 -1.656 -5.103 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -7.691 -1.184 -6.541 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.893 -0.531 -2.876 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -5.474 -0.465 -6.379 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.918 -0.113 -1.494 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.493 -0.019 -4.998 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.710 0.153 -2.545 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.073 0.082 -3.623 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.552 0.507 -2.313 1.00 0.57 C ATOM 1398 C ARG A 87 -10.119 -0.512 -1.259 1.00 0.57 C ATOM 1399 O ARG A 87 -10.321 -1.712 -1.437 1.00 0.79 O ATOM 1400 CB ARG A 87 -12.092 0.629 -2.286 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.697 1.424 -3.439 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.944 0.534 -4.651 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.559 1.247 -5.771 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.986 0.641 -6.879 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.056 -0.682 -6.920 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.554 1.351 -7.842 1.00 2.41 N ATOM 0 H ARG A 87 -10.239 -0.903 -3.830 1.00 0.60 H new ATOM 0 HA ARG A 87 -10.123 1.486 -2.100 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.521 -0.373 -2.291 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -12.388 1.097 -1.347 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -13.636 1.877 -3.119 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -12.027 2.239 -3.713 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -11.997 0.104 -4.978 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.587 -0.296 -4.360 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.666 2.259 -5.700 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.784 -1.233 -6.106 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.382 -1.149 -7.766 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -14.664 2.359 -7.735 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -14.881 0.889 -8.691 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.544 -0.038 -0.162 1.00 0.52 N ATOM 1421 CA ILE A 88 -9.122 -0.931 0.909 1.00 0.54 C ATOM 1422 C ILE A 88 -9.894 -0.628 2.185 1.00 0.59 C ATOM 1423 O ILE A 88 -9.939 0.513 2.646 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.609 -0.896 1.157 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -7.057 0.516 0.989 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.920 -1.871 0.212 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -5.570 0.612 1.240 1.00 0.74 C ATOM 0 H ILE A 88 -9.360 0.951 0.009 1.00 0.52 H new ATOM 0 HA ILE A 88 -9.353 -1.946 0.587 1.00 0.54 H new ATOM 0 HB ILE A 88 -7.411 -1.198 2.185 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -7.271 0.864 -0.022 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -7.578 1.186 1.674 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.844 -1.848 0.386 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -7.295 -2.878 0.392 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -7.127 -1.585 -0.819 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -5.244 1.643 1.103 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -5.352 0.294 2.260 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -5.040 -0.032 0.538 1.00 0.74 H new ATOM 1439 N LYS A 89 -10.542 -1.659 2.716 1.00 0.62 N ATOM 1440 CA LYS A 89 -11.373 -1.531 3.906 1.00 0.74 C ATOM 1441 C LYS A 89 -10.895 -2.460 5.020 1.00 0.85 C ATOM 1442 O LYS A 89 -10.593 -3.633 4.778 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.827 -1.874 3.541 1.00 0.95 C ATOM 1444 CG LYS A 89 -13.394 -1.051 2.396 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.052 0.226 2.897 1.00 1.68 C ATOM 1446 CE LYS A 89 -15.254 -0.064 3.783 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.915 1.184 4.255 1.00 2.46 N ATOM 0 H LYS A 89 -10.506 -2.604 2.334 1.00 0.62 H new ATOM 0 HA LYS A 89 -11.304 -0.505 4.268 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.884 -2.930 3.277 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -13.454 -1.731 4.421 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.596 -0.800 1.697 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -14.124 -1.646 1.846 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.324 0.815 3.455 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.366 0.830 2.046 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.974 -0.668 3.231 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.936 -0.653 4.643 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.306 1.031 5.206 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -15.218 1.955 4.287 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.683 1.438 3.602 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.844 -1.947 6.261 1.00 1.06 N ATOM 1462 CA PRO A 90 -10.431 -2.703 7.437 1.00 1.30 C ATOM 1463 C PRO A 90 -11.609 -3.464 8.048 1.00 1.47 C ATOM 1464 O PRO A 90 -12.077 -3.148 9.147 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.930 -1.621 8.408 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.307 -0.298 7.804 1.00 1.77 C ATOM 1467 CD PRO A 90 -11.205 -0.580 6.631 1.00 1.29 C ATOM 0 HA PRO A 90 -9.677 -3.455 7.205 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -10.384 -1.742 9.391 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.851 -1.692 8.544 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -10.817 0.327 8.537 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.418 0.246 7.485 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -12.258 -0.500 6.901 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -11.031 0.119 5.813 1.00 1.29 H new ATOM 1475 N LYS A 91 -12.095 -4.449 7.312 1.00 1.40 N ATOM 1476 CA LYS A 91 -13.230 -5.256 7.740 1.00 1.72 C ATOM 1477 C LYS A 91 -12.903 -6.078 8.980 1.00 2.02 C ATOM 1478 O LYS A 91 -13.633 -6.043 9.971 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.681 -6.177 6.606 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.381 -5.451 5.461 1.00 2.50 C ATOM 1481 CD LYS A 91 -14.936 -6.432 4.439 1.00 2.94 C ATOM 1482 CE LYS A 91 -15.716 -5.723 3.340 1.00 3.58 C ATOM 1483 NZ LYS A 91 -16.369 -6.682 2.409 1.00 4.13 N ATOM 0 H LYS A 91 -11.716 -4.713 6.402 1.00 1.40 H new ATOM 0 HA LYS A 91 -14.040 -4.574 7.997 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.812 -6.704 6.212 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -14.355 -6.932 7.011 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.191 -4.839 5.857 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -13.679 -4.774 4.974 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.116 -6.998 3.996 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.585 -7.150 4.940 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -16.474 -5.082 3.790 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -15.043 -5.075 2.779 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -16.592 -6.200 1.515 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -15.726 -7.477 2.222 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.246 -7.040 2.838 1.00 4.13 H new ATOM 1497 N ASP A 92 -11.819 -6.833 8.915 1.00 2.34 N ATOM 1498 CA ASP A 92 -11.418 -7.673 10.021 1.00 2.92 C ATOM 1499 C ASP A 92 -9.960 -8.074 9.868 1.00 2.79 C ATOM 1500 O ASP A 92 -9.599 -8.710 8.878 1.00 3.27 O ATOM 1501 CB ASP A 92 -12.292 -8.922 10.045 1.00 3.81 C ATOM 1502 CG ASP A 92 -12.266 -9.634 11.376 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -11.780 -9.043 12.364 1.00 5.11 O ATOM 1504 OD2 ASP A 92 -12.746 -10.781 11.446 1.00 4.67 O ATOM 0 H ASP A 92 -11.202 -6.878 8.104 1.00 2.34 H new ATOM 0 HA ASP A 92 -11.537 -7.122 10.954 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -13.319 -8.645 9.807 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -11.958 -9.607 9.266 1.00 3.81 H new ATOM 1509 N PHE A 93 -9.138 -7.698 10.836 1.00 2.71 N ATOM 1510 CA PHE A 93 -7.719 -8.021 10.809 1.00 2.95 C ATOM 1511 C PHE A 93 -7.076 -7.750 12.173 1.00 3.05 C ATOM 1512 O PHE A 93 -6.167 -6.932 12.290 1.00 3.30 O ATOM 1513 CB PHE A 93 -6.995 -7.226 9.707 1.00 3.27 C ATOM 1514 CG PHE A 93 -5.633 -7.775 9.371 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -5.485 -9.101 8.988 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -4.500 -6.975 9.438 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -4.240 -9.615 8.687 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -3.254 -7.485 9.135 1.00 5.30 C ATOM 1519 CZ PHE A 93 -3.121 -8.806 8.756 1.00 5.69 C ATOM 0 H PHE A 93 -9.432 -7.166 11.655 1.00 2.71 H new ATOM 0 HA PHE A 93 -7.620 -9.083 10.585 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -7.610 -7.224 8.807 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -6.892 -6.189 10.025 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -6.355 -9.738 8.925 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -4.595 -5.940 9.731 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -4.140 -10.651 8.397 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -2.382 -6.850 9.194 1.00 5.30 H new ATOM 0 HZ PHE A 93 -2.147 -9.206 8.515 1.00 5.69 H new ATOM 1529 N GLU A 94 -7.550 -8.462 13.197 1.00 3.44 N ATOM 1530 CA GLU A 94 -7.021 -8.338 14.562 1.00 3.96 C ATOM 1531 C GLU A 94 -7.147 -6.901 15.108 1.00 3.75 C ATOM 1532 O GLU A 94 -7.961 -6.117 14.625 1.00 4.15 O ATOM 1533 CB GLU A 94 -5.563 -8.795 14.579 1.00 4.82 C ATOM 1534 CG GLU A 94 -5.097 -9.281 15.939 1.00 5.73 C ATOM 1535 CD GLU A 94 -3.656 -9.749 15.942 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -3.001 -9.693 14.883 1.00 7.20 O ATOM 1537 OE2 GLU A 94 -3.169 -10.171 17.008 1.00 6.69 O ATOM 0 H GLU A 94 -8.308 -9.139 13.107 1.00 3.44 H new ATOM 0 HA GLU A 94 -7.616 -8.975 15.217 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -5.433 -9.596 13.852 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -4.928 -7.969 14.260 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -5.213 -8.476 16.665 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -5.739 -10.099 16.265 1.00 5.73 H new ATOM 1544 N THR A 95 -6.341 -6.560 16.112 1.00 3.56 N ATOM 1545 CA THR A 95 -6.371 -5.231 16.715 1.00 3.57 C ATOM 1546 C THR A 95 -5.436 -4.285 15.949 1.00 3.11 C ATOM 1547 O THR A 95 -4.773 -3.424 16.526 1.00 3.46 O ATOM 1548 CB THR A 95 -5.972 -5.336 18.188 1.00 4.37 C ATOM 1549 OG1 THR A 95 -6.444 -6.558 18.730 1.00 4.92 O ATOM 1550 CG2 THR A 95 -6.522 -4.223 19.055 1.00 4.79 C ATOM 0 H THR A 95 -5.655 -7.191 16.526 1.00 3.56 H new ATOM 0 HA THR A 95 -7.379 -4.820 16.658 1.00 3.57 H new ATOM 0 HB THR A 95 -4.884 -5.270 18.197 1.00 4.37 H new ATOM 0 HG1 THR A 95 -6.184 -6.620 19.673 1.00 4.92 H new ATOM 0 HG21 THR A 95 -6.195 -4.368 20.085 1.00 4.79 H new ATOM 0 HG22 THR A 95 -6.156 -3.263 18.690 1.00 4.79 H new ATOM 0 HG23 THR A 95 -7.611 -4.235 19.015 1.00 4.79 H new ATOM 1558 N SER A 96 -5.392 -4.476 14.638 1.00 2.83 N ATOM 1559 CA SER A 96 -4.547 -3.683 13.750 1.00 2.92 C ATOM 1560 C SER A 96 -5.159 -2.316 13.465 1.00 2.63 C ATOM 1561 O SER A 96 -4.705 -1.592 12.575 1.00 2.95 O ATOM 1562 CB SER A 96 -4.299 -4.436 12.448 1.00 3.49 C ATOM 1563 OG SER A 96 -3.809 -5.741 12.710 1.00 4.05 O ATOM 0 H SER A 96 -5.942 -5.187 14.157 1.00 2.83 H new ATOM 0 HA SER A 96 -3.595 -3.519 14.254 1.00 2.92 H new ATOM 0 HB2 SER A 96 -5.225 -4.498 11.876 1.00 3.49 H new ATOM 0 HB3 SER A 96 -3.582 -3.889 11.836 1.00 3.49 H new ATOM 0 HG SER A 96 -4.489 -6.402 12.461 1.00 4.05 H new ATOM 1569 N GLU A 97 -6.174 -1.958 14.238 1.00 2.52 N ATOM 1570 CA GLU A 97 -6.841 -0.672 14.090 1.00 2.71 C ATOM 1571 C GLU A 97 -5.902 0.440 14.531 1.00 2.41 C ATOM 1572 O GLU A 97 -5.930 1.549 13.995 1.00 2.64 O ATOM 1573 CB GLU A 97 -8.120 -0.642 14.930 1.00 3.26 C ATOM 1574 CG GLU A 97 -9.025 -1.843 14.708 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.208 -1.862 15.651 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -10.344 -0.929 16.468 1.00 4.86 O ATOM 1577 OE2 GLU A 97 -10.999 -2.826 15.596 1.00 4.75 O ATOM 0 H GLU A 97 -6.556 -2.545 14.980 1.00 2.52 H new ATOM 0 HA GLU A 97 -7.108 -0.525 13.043 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -7.850 -0.592 15.985 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -8.675 0.267 14.699 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -9.385 -1.837 13.679 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -8.447 -2.758 14.838 1.00 3.93 H new ATOM 1584 N TYR A 98 -5.062 0.128 15.518 1.00 2.15 N ATOM 1585 CA TYR A 98 -4.114 1.086 16.051 1.00 1.95 C ATOM 1586 C TYR A 98 -3.186 1.571 14.954 1.00 1.56 C ATOM 1587 O TYR A 98 -3.094 2.767 14.678 1.00 1.45 O ATOM 1588 CB TYR A 98 -3.314 0.444 17.186 1.00 2.16 C ATOM 1589 CG TYR A 98 -2.539 1.433 18.033 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -1.379 2.046 17.564 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -2.985 1.765 19.303 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -0.693 2.959 18.338 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -2.299 2.674 20.086 1.00 4.46 C ATOM 1594 CZ TYR A 98 -1.154 3.268 19.599 1.00 4.66 C ATOM 1595 OH TYR A 98 -0.475 4.192 20.363 1.00 5.65 O ATOM 0 H TYR A 98 -5.025 -0.789 15.962 1.00 2.15 H new ATOM 0 HA TYR A 98 -4.657 1.945 16.445 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.997 -0.111 17.829 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -2.617 -0.279 16.761 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -1.011 1.802 16.578 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -3.884 1.305 19.687 1.00 3.63 H new ATOM 0 HE1 TYR A 98 0.201 3.429 17.957 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -2.658 2.918 21.075 1.00 4.46 H new ATOM 0 HH TYR A 98 -0.928 4.299 21.226 1.00 5.65 H new ATOM 1605 N VAL A 99 -2.508 0.631 14.322 1.00 1.54 N ATOM 1606 CA VAL A 99 -1.597 0.964 13.239 1.00 1.34 C ATOM 1607 C VAL A 99 -2.372 1.470 12.026 1.00 1.17 C ATOM 1608 O VAL A 99 -1.837 2.214 11.209 1.00 1.04 O ATOM 1609 CB VAL A 99 -0.724 -0.244 12.825 1.00 1.65 C ATOM 1610 CG1 VAL A 99 0.093 -0.763 13.997 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -1.583 -1.357 12.261 1.00 1.76 C ATOM 0 H VAL A 99 -2.569 -0.364 14.537 1.00 1.54 H new ATOM 0 HA VAL A 99 -0.937 1.749 13.607 1.00 1.34 H new ATOM 0 HB VAL A 99 -0.035 0.098 12.052 1.00 1.65 H new ATOM 0 HG11 VAL A 99 0.695 -1.612 13.673 1.00 1.91 H new ATOM 0 HG12 VAL A 99 0.748 0.028 14.363 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -0.577 -1.078 14.797 1.00 1.91 H new ATOM 0 HG21 VAL A 99 -0.949 -2.197 11.976 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -2.299 -1.682 13.016 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -2.120 -0.994 11.385 1.00 1.76 H new ATOM 1621 N ARG A 100 -3.641 1.080 11.921 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.485 1.504 10.813 1.00 1.42 C ATOM 1623 C ARG A 100 -4.700 3.009 10.862 1.00 1.31 C ATOM 1624 O ARG A 100 -4.765 3.674 9.827 1.00 1.31 O ATOM 1625 CB ARG A 100 -5.832 0.789 10.871 1.00 1.78 C ATOM 1626 CG ARG A 100 -6.639 0.893 9.587 1.00 2.37 C ATOM 1627 CD ARG A 100 -5.970 0.182 8.413 1.00 3.01 C ATOM 1628 NE ARG A 100 -6.194 -1.265 8.413 1.00 3.48 N ATOM 1629 CZ ARG A 100 -5.554 -2.137 9.196 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -4.374 -1.816 9.715 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -5.879 -3.418 9.121 1.00 4.93 N ATOM 0 H ARG A 100 -4.105 0.469 12.593 1.00 1.36 H new ATOM 0 HA ARG A 100 -3.986 1.246 9.879 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -5.664 -0.264 11.099 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.418 1.204 11.692 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -7.629 0.466 9.749 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -6.782 1.944 9.336 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -6.346 0.602 7.480 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -4.898 0.377 8.441 1.00 3.01 H new ATOM 0 HE ARG A 100 -6.891 -1.635 7.767 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -3.960 -0.906 9.515 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -3.883 -2.480 10.314 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -6.606 -3.723 8.474 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -5.402 -4.100 9.710 1.00 4.93 H new ATOM 1645 N LYS A 101 -4.787 3.546 12.070 1.00 1.34 N ATOM 1646 CA LYS A 101 -4.972 4.975 12.247 1.00 1.43 C ATOM 1647 C LYS A 101 -3.739 5.710 11.731 1.00 1.27 C ATOM 1648 O LYS A 101 -3.815 6.836 11.244 1.00 1.40 O ATOM 1649 CB LYS A 101 -5.195 5.307 13.718 1.00 1.68 C ATOM 1650 CG LYS A 101 -6.224 6.405 13.945 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.661 5.894 13.882 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.071 5.536 12.466 1.00 2.79 C ATOM 1653 NZ LYS A 101 -9.406 4.891 12.415 1.00 3.24 N ATOM 0 H LYS A 101 -4.732 3.014 12.939 1.00 1.34 H new ATOM 0 HA LYS A 101 -5.851 5.292 11.685 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.516 4.406 14.241 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -4.247 5.612 14.161 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.049 6.864 14.918 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -6.088 7.185 13.195 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -7.763 5.018 14.522 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.335 6.656 14.274 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -8.081 6.438 11.854 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -7.329 4.865 12.033 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -9.331 3.976 11.926 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.755 4.739 13.383 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.069 5.505 11.900 1.00 3.24 H new ATOM 1667 N ALA A 102 -2.606 5.033 11.824 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.340 5.581 11.368 1.00 1.11 C ATOM 1669 C ALA A 102 -1.081 5.227 9.902 1.00 0.99 C ATOM 1670 O ALA A 102 -0.051 5.599 9.343 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.211 5.078 12.251 1.00 1.22 C ATOM 0 H ALA A 102 -2.538 4.094 12.215 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.388 6.668 11.441 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.735 5.493 11.903 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -0.388 5.390 13.280 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -0.169 3.990 12.204 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.048 4.566 9.265 1.00 0.97 N ATOM 1678 CA TRP A 103 -1.918 4.242 7.845 1.00 1.01 C ATOM 1679 C TRP A 103 -2.361 5.435 7.033 1.00 0.93 C ATOM 1680 O TRP A 103 -1.688 5.844 6.095 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.717 3.003 7.411 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.917 1.731 7.419 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.582 0.977 8.502 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.317 1.080 6.282 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.829 -0.104 8.112 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.656 -0.065 6.756 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.296 1.342 4.908 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.043 -0.930 5.916 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.601 0.479 4.077 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.047 -0.648 4.578 1.00 0.98 C ATOM 0 H TRP A 103 -2.915 4.250 9.700 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.869 4.003 7.670 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.575 2.886 8.073 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.109 3.168 6.407 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.867 1.197 9.520 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.458 -0.822 8.735 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.812 2.200 4.503 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.563 -1.792 6.308 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.561 0.684 3.017 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.561 -1.310 3.898 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.491 6.015 7.420 1.00 0.95 N ATOM 1702 CA LEU A 104 -3.990 7.186 6.726 1.00 1.12 C ATOM 1703 C LEU A 104 -3.067 8.358 6.982 1.00 1.10 C ATOM 1704 O LEU A 104 -2.953 9.255 6.164 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.428 7.523 7.129 1.00 1.35 C ATOM 1706 CG LEU A 104 -5.731 7.533 8.634 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -5.476 8.913 9.226 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.170 7.102 8.887 1.00 1.69 C ATOM 0 H LEU A 104 -4.068 5.697 8.199 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.007 6.967 5.658 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.675 8.504 6.724 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.094 6.804 6.651 1.00 1.35 H new ATOM 0 HG LEU A 104 -5.064 6.824 9.124 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -5.697 8.898 10.293 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -4.432 9.186 9.076 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -6.117 9.644 8.733 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -7.370 7.114 9.958 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -7.850 7.789 8.383 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -7.321 6.094 8.501 1.00 1.69 H new ATOM 1720 N ARG A 105 -2.398 8.333 8.124 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.479 9.407 8.456 1.00 1.18 C ATOM 1722 C ARG A 105 -0.333 9.412 7.454 1.00 1.08 C ATOM 1723 O ARG A 105 0.031 10.455 6.920 1.00 1.21 O ATOM 1724 CB ARG A 105 -0.913 9.296 9.876 1.00 1.38 C ATOM 1725 CG ARG A 105 -0.006 10.473 10.204 1.00 2.01 C ATOM 1726 CD ARG A 105 0.686 10.345 11.551 1.00 2.29 C ATOM 1727 NE ARG A 105 1.532 11.513 11.818 1.00 2.86 N ATOM 1728 CZ ARG A 105 2.615 11.839 11.098 1.00 3.68 C ATOM 1729 NH1 ARG A 105 3.276 10.898 10.429 1.00 4.09 N ATOM 1730 NH2 ARG A 105 3.205 13.010 11.304 1.00 4.52 N ATOM 0 H ARG A 105 -2.472 7.595 8.824 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.043 10.339 8.410 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.732 9.254 10.594 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.355 8.365 9.975 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.749 10.569 9.424 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.595 11.390 10.192 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -0.060 10.243 12.339 1.00 2.29 H new ATOM 0 HD3 ARG A 105 1.293 9.440 11.568 1.00 2.29 H new ATOM 0 HE ARG A 105 1.280 12.116 12.601 1.00 2.86 H new ATOM 0 HH11 ARG A 105 2.959 9.929 10.464 1.00 4.09 H new ATOM 0 HH12 ARG A 105 4.100 11.145 9.881 1.00 4.09 H new ATOM 0 HH21 ARG A 105 2.834 13.652 12.005 1.00 4.52 H new ATOM 0 HH22 ARG A 105 4.030 13.268 10.762 1.00 4.52 H new ATOM 1744 N ASP A 106 0.204 8.237 7.177 1.00 0.95 N ATOM 1745 CA ASP A 106 1.292 8.113 6.211 1.00 0.99 C ATOM 1746 C ASP A 106 0.777 8.338 4.801 1.00 0.96 C ATOM 1747 O ASP A 106 1.534 8.665 3.899 1.00 1.17 O ATOM 1748 CB ASP A 106 1.987 6.761 6.317 1.00 1.09 C ATOM 1749 CG ASP A 106 3.051 6.743 7.400 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.090 7.676 8.231 1.00 1.76 O ATOM 1751 OD2 ASP A 106 3.861 5.794 7.426 1.00 2.18 O ATOM 0 H ASP A 106 -0.090 7.358 7.602 1.00 0.95 H new ATOM 0 HA ASP A 106 2.030 8.881 6.443 1.00 0.99 H new ATOM 0 HB2 ASP A 106 1.246 5.990 6.526 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.443 6.513 5.359 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.522 8.161 4.638 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.185 8.352 3.355 1.00 1.04 C ATOM 1758 C ILE A 107 -1.461 9.839 3.123 1.00 1.23 C ATOM 1759 O ILE A 107 -1.232 10.369 2.033 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.497 7.516 3.304 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.186 6.080 2.860 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.543 8.141 2.386 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -3.269 5.078 3.197 1.00 1.45 C ATOM 0 H ILE A 107 -1.150 7.880 5.391 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.532 8.003 2.555 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.918 7.503 4.309 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.022 6.072 1.782 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.254 5.761 3.326 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.440 7.522 2.383 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.792 9.140 2.745 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.145 8.208 1.373 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -2.971 4.089 2.849 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -3.419 5.053 4.276 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -4.199 5.369 2.708 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.945 10.505 4.163 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.254 11.924 4.106 1.00 1.52 C ATOM 1777 C ALA A 108 -0.991 12.765 3.942 1.00 1.59 C ATOM 1778 O ALA A 108 -1.059 13.930 3.554 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.016 12.330 5.357 1.00 1.62 C ATOM 0 H ALA A 108 -2.134 10.075 5.069 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.878 12.107 3.232 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.247 13.394 5.313 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.943 11.760 5.420 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.405 12.127 6.237 1.00 1.62 H new ATOM 1785 N GLU A 109 0.158 12.162 4.216 1.00 1.39 N ATOM 1786 CA GLU A 109 1.442 12.845 4.086 1.00 1.50 C ATOM 1787 C GLU A 109 2.581 11.834 4.046 1.00 1.43 C ATOM 1788 O GLU A 109 3.336 11.677 5.010 1.00 1.70 O ATOM 1789 CB GLU A 109 1.654 13.855 5.218 1.00 1.69 C ATOM 1790 CG GLU A 109 1.202 13.364 6.581 1.00 1.73 C ATOM 1791 CD GLU A 109 1.521 14.358 7.668 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.110 15.529 7.548 1.00 2.40 O ATOM 1793 OE2 GLU A 109 2.189 13.974 8.651 1.00 2.56 O ATOM 0 H GLU A 109 0.229 11.195 4.532 1.00 1.39 H new ATOM 0 HA GLU A 109 1.434 13.398 3.147 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.712 14.110 5.269 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.116 14.772 4.978 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.128 13.178 6.563 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.687 12.413 6.804 1.00 1.73 H new ATOM 1800 N GLU A 110 2.684 11.150 2.911 1.00 1.49 N ATOM 1801 CA GLU A 110 3.712 10.143 2.679 1.00 1.63 C ATOM 1802 C GLU A 110 5.104 10.762 2.506 1.00 1.78 C ATOM 1803 O GLU A 110 5.287 11.967 2.684 1.00 2.20 O ATOM 1804 CB GLU A 110 3.351 9.259 1.474 1.00 2.09 C ATOM 1805 CG GLU A 110 2.412 9.890 0.445 1.00 2.83 C ATOM 1806 CD GLU A 110 3.007 11.067 -0.305 1.00 3.38 C ATOM 1807 OE1 GLU A 110 3.367 12.066 0.338 1.00 3.86 O ATOM 1808 OE2 GLU A 110 3.078 11.002 -1.549 1.00 3.86 O ATOM 0 H GLU A 110 2.052 11.280 2.121 1.00 1.49 H new ATOM 0 HA GLU A 110 3.751 9.516 3.569 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.273 8.972 0.969 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.891 8.343 1.844 1.00 2.09 H new ATOM 0 HG2 GLU A 110 2.116 9.127 -0.275 1.00 2.83 H new ATOM 0 HG3 GLU A 110 1.505 10.218 0.952 1.00 2.83 H new ATOM 1815 N GLN A 111 6.080 9.914 2.172 1.00 1.93 N ATOM 1816 CA GLN A 111 7.473 10.327 1.967 1.00 2.44 C ATOM 1817 C GLN A 111 7.672 11.125 0.675 1.00 2.84 C ATOM 1818 O GLN A 111 8.436 10.721 -0.209 1.00 3.22 O ATOM 1819 CB GLN A 111 8.380 9.097 1.992 1.00 2.97 C ATOM 1820 CG GLN A 111 8.954 8.815 3.367 1.00 3.66 C ATOM 1821 CD GLN A 111 9.575 7.436 3.492 1.00 4.54 C ATOM 1822 OE1 GLN A 111 8.883 6.445 3.689 1.00 5.12 O ATOM 1823 NE2 GLN A 111 10.887 7.371 3.363 1.00 5.02 N ATOM 0 H GLN A 111 5.926 8.915 2.035 1.00 1.93 H new ATOM 0 HA GLN A 111 7.741 10.998 2.783 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.815 8.228 1.655 1.00 2.97 H new ATOM 0 HB3 GLN A 111 9.197 9.240 1.285 1.00 2.97 H new ATOM 0 HG2 GLN A 111 9.708 9.567 3.598 1.00 3.66 H new ATOM 0 HG3 GLN A 111 8.163 8.918 4.110 1.00 3.66 H new ATOM 0 HE21 GLN A 111 11.426 8.221 3.200 1.00 5.02 H new ATOM 0 HE22 GLN A 111 11.362 6.470 3.427 1.00 5.02 H new ATOM 1832 N GLU A 112 6.987 12.255 0.578 1.00 3.29 N ATOM 1833 CA GLU A 112 7.064 13.131 -0.583 1.00 4.12 C ATOM 1834 C GLU A 112 8.394 13.891 -0.609 1.00 4.19 C ATOM 1835 O GLU A 112 8.832 14.366 -1.659 1.00 4.69 O ATOM 1836 CB GLU A 112 5.892 14.112 -0.556 1.00 5.03 C ATOM 1837 CG GLU A 112 5.929 15.076 0.620 1.00 5.36 C ATOM 1838 CD GLU A 112 4.663 15.891 0.743 1.00 6.31 C ATOM 1839 OE1 GLU A 112 4.275 16.546 -0.245 1.00 6.81 O ATOM 1840 OE2 GLU A 112 4.050 15.884 1.832 1.00 6.83 O ATOM 0 H GLU A 112 6.358 12.592 1.307 1.00 3.29 H new ATOM 0 HA GLU A 112 7.009 12.524 -1.486 1.00 4.12 H new ATOM 0 HB2 GLU A 112 5.887 14.684 -1.484 1.00 5.03 H new ATOM 0 HB3 GLU A 112 4.959 13.549 -0.524 1.00 5.03 H new ATOM 0 HG2 GLU A 112 6.086 14.514 1.541 1.00 5.36 H new ATOM 0 HG3 GLU A 112 6.780 15.748 0.508 1.00 5.36 H new ATOM 1847 N LYS A 113 9.028 14.007 0.556 1.00 3.97 N ATOM 1848 CA LYS A 113 10.302 14.705 0.669 1.00 4.36 C ATOM 1849 C LYS A 113 11.407 13.909 -0.022 1.00 4.15 C ATOM 1850 O LYS A 113 12.069 14.412 -0.936 1.00 4.65 O ATOM 1851 CB LYS A 113 10.683 14.918 2.142 1.00 4.79 C ATOM 1852 CG LYS A 113 9.576 15.490 3.006 1.00 5.55 C ATOM 1853 CD LYS A 113 8.924 16.685 2.348 1.00 5.63 C ATOM 1854 CE LYS A 113 7.773 17.204 3.180 1.00 6.48 C ATOM 1855 NZ LYS A 113 7.142 18.397 2.562 1.00 7.06 N ATOM 0 H LYS A 113 8.678 13.625 1.435 1.00 3.97 H new ATOM 0 HA LYS A 113 10.192 15.676 0.186 1.00 4.36 H new ATOM 0 HB2 LYS A 113 10.998 13.963 2.563 1.00 4.79 H new ATOM 0 HB3 LYS A 113 11.543 15.586 2.188 1.00 4.79 H new ATOM 0 HG2 LYS A 113 8.826 14.722 3.194 1.00 5.55 H new ATOM 0 HG3 LYS A 113 9.982 15.783 3.974 1.00 5.55 H new ATOM 0 HD2 LYS A 113 9.662 17.475 2.209 1.00 5.63 H new ATOM 0 HD3 LYS A 113 8.564 16.407 1.357 1.00 5.63 H new ATOM 0 HE2 LYS A 113 7.027 16.418 3.299 1.00 6.48 H new ATOM 0 HE3 LYS A 113 8.131 17.458 4.178 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 6.357 18.724 3.161 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 7.848 19.155 2.471 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 6.778 18.148 1.620 1.00 7.06 H new ATOM 1869 N TYR A 114 11.596 12.665 0.436 1.00 3.80 N ATOM 1870 CA TYR A 114 12.617 11.759 -0.097 1.00 4.21 C ATOM 1871 C TYR A 114 13.965 12.480 -0.215 1.00 4.57 C ATOM 1872 O TYR A 114 14.616 12.451 -1.261 1.00 5.17 O ATOM 1873 CB TYR A 114 12.174 11.208 -1.461 1.00 4.58 C ATOM 1874 CG TYR A 114 12.676 9.807 -1.782 1.00 5.45 C ATOM 1875 CD1 TYR A 114 14.030 9.542 -1.951 1.00 5.90 C ATOM 1876 CD2 TYR A 114 11.785 8.746 -1.916 1.00 6.18 C ATOM 1877 CE1 TYR A 114 14.480 8.271 -2.252 1.00 6.94 C ATOM 1878 CE2 TYR A 114 12.229 7.473 -2.215 1.00 7.17 C ATOM 1879 CZ TYR A 114 13.575 7.242 -2.382 1.00 7.49 C ATOM 1880 OH TYR A 114 14.021 5.977 -2.688 1.00 8.62 O ATOM 0 H TYR A 114 11.042 12.259 1.190 1.00 3.80 H new ATOM 0 HA TYR A 114 12.738 10.923 0.592 1.00 4.21 H new ATOM 0 HB2 TYR A 114 11.085 11.205 -1.498 1.00 4.58 H new ATOM 0 HB3 TYR A 114 12.518 11.888 -2.240 1.00 4.58 H new ATOM 0 HD1 TYR A 114 14.744 10.345 -1.845 1.00 5.90 H new ATOM 0 HD2 TYR A 114 10.728 8.921 -1.784 1.00 6.18 H new ATOM 0 HE1 TYR A 114 15.536 8.086 -2.385 1.00 6.94 H new ATOM 0 HE2 TYR A 114 11.523 6.662 -2.317 1.00 7.17 H new ATOM 0 HH TYR A 114 14.923 5.852 -2.326 1.00 8.62 H new ATOM 1890 N ALA A 115 14.369 13.138 0.869 1.00 4.51 N ATOM 1891 CA ALA A 115 15.625 13.883 0.915 1.00 5.16 C ATOM 1892 C ALA A 115 16.135 13.973 2.343 1.00 5.46 C ATOM 1893 O ALA A 115 15.461 14.551 3.205 1.00 5.73 O ATOM 1894 CB ALA A 115 15.438 15.281 0.341 1.00 5.63 C ATOM 0 H ALA A 115 13.837 13.170 1.738 1.00 4.51 H new ATOM 0 HA ALA A 115 16.360 13.352 0.311 1.00 5.16 H new ATOM 0 HB1 ALA A 115 16.384 15.821 0.383 1.00 5.63 H new ATOM 0 HB2 ALA A 115 15.108 15.208 -0.695 1.00 5.63 H new ATOM 0 HB3 ALA A 115 14.688 15.816 0.923 1.00 5.63 H new ATOM 1900 N ALA A 116 17.311 13.392 2.598 1.00 5.86 N ATOM 1901 CA ALA A 116 17.908 13.392 3.933 1.00 6.58 C ATOM 1902 C ALA A 116 16.886 12.907 4.962 1.00 7.22 C ATOM 1903 O ALA A 116 16.511 13.629 5.888 1.00 7.70 O ATOM 1904 CB ALA A 116 18.428 14.783 4.278 1.00 7.03 C ATOM 0 H ALA A 116 17.870 12.913 1.891 1.00 5.86 H new ATOM 0 HA ALA A 116 18.755 12.706 3.949 1.00 6.58 H new ATOM 0 HB1 ALA A 116 18.870 14.769 5.274 1.00 7.03 H new ATOM 0 HB2 ALA A 116 19.183 15.080 3.550 1.00 7.03 H new ATOM 0 HB3 ALA A 116 17.603 15.495 4.257 1.00 7.03 H new ATOM 1910 N GLU A 117 16.412 11.689 4.751 1.00 7.53 N ATOM 1911 CA GLU A 117 15.403 11.090 5.606 1.00 8.41 C ATOM 1912 C GLU A 117 16.011 10.558 6.898 1.00 9.09 C ATOM 1913 O GLU A 117 16.509 9.433 6.949 1.00 9.58 O ATOM 1914 CB GLU A 117 14.703 9.972 4.845 1.00 8.83 C ATOM 1915 CG GLU A 117 14.202 10.413 3.478 1.00 9.18 C ATOM 1916 CD GLU A 117 13.572 9.290 2.692 1.00 9.82 C ATOM 1917 OE1 GLU A 117 14.287 8.319 2.350 1.00 10.40 O ATOM 1918 OE2 GLU A 117 12.361 9.372 2.416 1.00 9.94 O ATOM 0 H GLU A 117 16.716 11.090 3.983 1.00 7.53 H new ATOM 0 HA GLU A 117 14.678 11.856 5.881 1.00 8.41 H new ATOM 0 HB2 GLU A 117 15.391 9.136 4.722 1.00 8.83 H new ATOM 0 HB3 GLU A 117 13.862 9.608 5.435 1.00 8.83 H new ATOM 0 HG2 GLU A 117 13.474 11.214 3.605 1.00 9.18 H new ATOM 0 HG3 GLU A 117 15.034 10.826 2.908 1.00 9.18 H new ATOM 1925 N ARG A 118 15.965 11.385 7.932 1.00 9.35 N ATOM 1926 CA ARG A 118 16.505 11.032 9.239 1.00 10.23 C ATOM 1927 C ARG A 118 15.601 10.039 9.955 1.00 10.76 C ATOM 1928 O ARG A 118 16.055 8.996 10.431 1.00 11.00 O ATOM 1929 CB ARG A 118 16.636 12.280 10.096 1.00 10.61 C ATOM 1930 CG ARG A 118 17.443 12.046 11.364 1.00 11.18 C ATOM 1931 CD ARG A 118 17.431 13.257 12.268 1.00 11.87 C ATOM 1932 NE ARG A 118 16.080 13.577 12.721 1.00 12.16 N ATOM 1933 CZ ARG A 118 15.733 14.762 13.207 1.00 12.66 C ATOM 1934 NH1 ARG A 118 16.388 15.833 12.778 1.00 12.91 N ATOM 1935 NH2 ARG A 118 14.530 14.915 13.756 1.00 13.09 N ATOM 0 H ARG A 118 15.554 12.317 7.890 1.00 9.35 H new ATOM 0 HA ARG A 118 17.482 10.575 9.086 1.00 10.23 H new ATOM 0 HB2 ARG A 118 17.109 13.068 9.511 1.00 10.61 H new ATOM 0 HB3 ARG A 118 15.641 12.636 10.365 1.00 10.61 H new ATOM 0 HG2 ARG A 118 17.037 11.188 11.900 1.00 11.18 H new ATOM 0 HG3 ARG A 118 18.471 11.800 11.100 1.00 11.18 H new ATOM 0 HD2 ARG A 118 18.071 13.074 13.131 1.00 11.87 H new ATOM 0 HD3 ARG A 118 17.849 14.112 11.737 1.00 11.87 H new ATOM 0 HE ARG A 118 15.366 12.851 12.661 1.00 12.16 H new ATOM 0 HH11 ARG A 118 17.136 15.732 12.092 1.00 12.91 H new ATOM 0 HH12 ARG A 118 16.143 16.757 13.134 1.00 12.91 H new ATOM 0 HH21 ARG A 118 13.885 14.126 13.800 1.00 13.09 H new ATOM 0 HH22 ARG A 118 14.253 15.821 14.133 1.00 13.09 H new ATOM 1949 N ASP A 119 14.321 10.377 10.031 1.00 11.16 N ATOM 1950 CA ASP A 119 13.345 9.526 10.691 1.00 11.89 C ATOM 1951 C ASP A 119 12.472 8.855 9.648 1.00 12.21 C ATOM 1952 O ASP A 119 11.973 7.746 9.912 1.00 0.00 O ATOM 1953 CB ASP A 119 12.452 10.319 11.659 1.00 12.51 C ATOM 1954 CG ASP A 119 13.206 11.007 12.786 1.00 13.33 C ATOM 1955 OD1 ASP A 119 14.445 11.135 12.711 1.00 13.75 O ATOM 1956 OD2 ASP A 119 12.549 11.448 13.755 1.00 13.70 O ATOM 1957 OXT ASP A 119 12.277 9.452 8.567 1.00 0.00 O ATOM 0 H ASP A 119 13.935 11.237 9.642 1.00 11.16 H new ATOM 0 HA ASP A 119 13.893 8.782 11.269 1.00 11.89 H new ATOM 0 HB2 ASP A 119 11.902 11.071 11.094 1.00 12.51 H new ATOM 0 HB3 ASP A 119 11.715 9.643 12.091 1.00 12.51 H new TER 1962 ASP A 119