USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1009 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 135 GLN : amide:sc= 0.619 K(o=2.6,f=-7.7!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -132:sc= 1.42 (180deg=0) USER MOD Set 1.3: A 139 GLN : amide:sc= 0.599 K(o=2.6,f=-1.4) USER MOD Set 2.1: A 113 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 127 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Set 3.1: A 112 CYS SG : rot -179:sc= -0.884 USER MOD Set 3.2: A 116 ASN : amide:sc= 0.147 X(o=-0.74,f=-0.95) USER MOD Set 4.1: A 54 GLN : amide:sc= -0.992 K(o=0.16,f=0.88) USER MOD Set 4.2: A 60 TYR OH : rot 46:sc= 1.15 USER MOD Set 5.1: A 35 LYS NZ :NH3+ 172:sc= 0.23 (180deg=0) USER MOD Set 5.2: A 40 GLN : amide:sc= 0.269 K(o=1.6,f=-1.5!) USER MOD Set 5.3: A 43 GLN : amide:sc= 0.67 K(o=1.6,f=-1.5) USER MOD Set 5.4: A 44 ASN : amide:sc= 0.387 X(o=1.6,f=1.1) USER MOD Set 6.1: A 42 MET CE :methyl -153:sc= -2.05 (180deg=-3.24!) USER MOD Set 6.2: A 102 MET CE :methyl -177:sc= -0.681 (180deg=-0.348) USER MOD Set 6.3: A 140 MET CE :methyl -137:sc= -0.771 (180deg=-1.28) USER MOD Set 7.1: A 36 THR OG1 : rot -157:sc= 0.64 USER MOD Set 7.2: A 38 GLN : amide:sc= 1.36 K(o=2.6,f=-0.81) USER MOD Set 7.3: A 97 SER OG : rot -124:sc= 0.552 USER MOD Set 8.1: A 27 SER OG : rot 180:sc= 0.0131 USER MOD Set 8.2: A 92 ASN : amide:sc= 1.5 K(o=1.5,f=0.64!) USER MOD Single : A 28 ASN : amide:sc= 0.69 K(o=0.69,f=-4.7!) USER MOD Single : A 30 SER OG : rot 180:sc=0.000843 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 2.47 (180deg=2.27) USER MOD Single : A 37 ASN : amide:sc= -3.4! C(o=-3.4!,f=-2.1!) USER MOD Single : A 41 TYR OH : rot -89:sc= 1.04 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 105:sc= 1.23 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-6.3!) USER MOD Single : A 61 GLN : amide:sc= 0.449 K(o=0.45,f=-0.087) USER MOD Single : A 67 LYS NZ :NH3+ -112:sc= -1.29 (180deg=-5.2!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 150:sc= -0.0664 USER MOD Single : A 74 HIS : no HD1:sc= -0.502 K(o=-0.5,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 1.09 (180deg=0.256) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 81 MET CE :methyl 163:sc= -0.117 (180deg=-0.762) USER MOD Single : A 83 MET CE :methyl 174:sc= -0.921 (180deg=-1.05) USER MOD Single : A 85 THR OG1 : rot -112:sc= 0.488 USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= 1.15 (180deg=0.754) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.21) USER MOD Single : A 93 ASN : amide:sc= -0.0713 K(o=-0.071,f=-1.5!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -78:sc= 0.875 USER MOD Single : A 99 SER OG : rot 180:sc= 0.167 USER MOD Single : A 101 CYS SG : rot -36:sc= -1.15 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 108 MET CE :methyl -178:sc= 0 (180deg=-0.000696) USER MOD Single : A 110 THR OG1 : rot -86:sc= 1.11 USER MOD Single : A 111 ASN : amide:sc= 0.589 K(o=0.59,f=-2.4!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 125 MET CE :methyl 180:sc= -0.0449 (180deg=-0.0449) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc= 0.0604 X(o=0.06,f=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 5.652 -13.810 3.370 1.00 0.93 N ATOM 69 CA VAL A 26 5.872 -12.430 3.763 1.00 0.84 C ATOM 70 C VAL A 26 7.351 -12.243 4.084 1.00 0.83 C ATOM 71 O VAL A 26 7.850 -11.125 4.228 1.00 0.85 O ATOM 72 CB VAL A 26 4.986 -12.035 4.968 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.487 -12.653 6.267 1.00 0.93 C ATOM 74 CG2 VAL A 26 4.894 -10.524 5.090 1.00 0.83 C ATOM 0 HA VAL A 26 5.591 -11.774 2.939 1.00 0.84 H new ATOM 0 HB VAL A 26 3.987 -12.431 4.785 1.00 0.83 H new ATOM 0 HG11 VAL A 26 4.837 -12.351 7.088 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.480 -13.739 6.180 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.503 -12.312 6.464 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.267 -10.265 5.943 1.00 0.83 H new ATOM 0 HG22 VAL A 26 5.892 -10.109 5.234 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.457 -10.111 4.180 1.00 0.83 H new ATOM 84 N SER A 27 8.042 -13.372 4.151 1.00 0.91 N ATOM 85 CA SER A 27 9.461 -13.421 4.399 1.00 1.00 C ATOM 86 C SER A 27 10.040 -14.595 3.636 1.00 1.07 C ATOM 87 O SER A 27 9.431 -15.665 3.589 1.00 1.19 O ATOM 88 CB SER A 27 9.745 -13.612 5.887 1.00 1.15 C ATOM 89 OG SER A 27 8.582 -13.413 6.673 1.00 1.61 O ATOM 0 H SER A 27 7.617 -14.292 4.031 1.00 0.91 H new ATOM 0 HA SER A 27 9.912 -12.483 4.075 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.132 -14.617 6.058 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.521 -12.914 6.202 1.00 1.15 H new ATOM 0 HG SER A 27 8.800 -13.544 7.619 1.00 1.61 H new ATOM 95 N ASN A 28 11.188 -14.401 3.028 1.00 1.07 N ATOM 96 CA ASN A 28 11.855 -15.489 2.334 1.00 1.18 C ATOM 97 C ASN A 28 13.365 -15.388 2.512 1.00 1.23 C ATOM 98 O ASN A 28 13.973 -14.375 2.174 1.00 1.12 O ATOM 99 CB ASN A 28 11.483 -15.494 0.851 1.00 1.19 C ATOM 100 CG ASN A 28 11.885 -16.783 0.159 1.00 1.39 C ATOM 101 OD1 ASN A 28 13.074 -17.077 0.001 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.899 -17.560 -0.263 1.00 1.48 N ATOM 0 H ASN A 28 11.680 -13.508 2.997 1.00 1.07 H new ATOM 0 HA ASN A 28 11.520 -16.431 2.769 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.407 -15.350 0.748 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.966 -14.652 0.355 1.00 1.19 H new ATOM 0 HD21 ASN A 28 11.109 -18.438 -0.738 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.930 -17.281 -0.113 1.00 1.48 H new ATOM 109 N PRO A 29 13.980 -16.446 3.063 1.00 1.46 N ATOM 110 CA PRO A 29 15.425 -16.483 3.359 1.00 1.60 C ATOM 111 C PRO A 29 16.299 -16.479 2.108 1.00 1.54 C ATOM 112 O PRO A 29 17.277 -15.736 2.021 1.00 1.54 O ATOM 113 CB PRO A 29 15.583 -17.817 4.093 1.00 1.87 C ATOM 114 CG PRO A 29 14.466 -18.648 3.573 1.00 1.86 C ATOM 115 CD PRO A 29 13.313 -17.705 3.445 1.00 1.65 C ATOM 0 HA PRO A 29 15.741 -15.605 3.922 1.00 1.60 H new ATOM 0 HB2 PRO A 29 16.551 -18.274 3.886 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.516 -17.689 5.173 1.00 1.87 H new ATOM 0 HG2 PRO A 29 14.720 -19.094 2.612 1.00 1.86 H new ATOM 0 HG3 PRO A 29 14.233 -19.467 4.253 1.00 1.86 H new ATOM 0 HD2 PRO A 29 12.600 -18.034 2.689 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.762 -17.606 4.380 1.00 1.65 H new ATOM 123 N SER A 30 15.938 -17.315 1.145 1.00 1.57 N ATOM 124 CA SER A 30 16.726 -17.497 -0.054 1.00 1.63 C ATOM 125 C SER A 30 16.622 -16.274 -0.950 1.00 1.47 C ATOM 126 O SER A 30 17.605 -15.841 -1.553 1.00 1.58 O ATOM 127 CB SER A 30 16.217 -18.728 -0.787 1.00 1.81 C ATOM 128 OG SER A 30 15.889 -19.763 0.127 1.00 2.18 O ATOM 0 H SER A 30 15.091 -17.883 1.178 1.00 1.57 H new ATOM 0 HA SER A 30 17.774 -17.631 0.214 1.00 1.63 H new ATOM 0 HB2 SER A 30 15.339 -18.467 -1.377 1.00 1.81 H new ATOM 0 HB3 SER A 30 16.977 -19.081 -1.484 1.00 1.81 H new ATOM 0 HG SER A 30 15.562 -20.544 -0.367 1.00 2.18 H new ATOM 134 N LYS A 31 15.421 -15.724 -1.020 1.00 1.28 N ATOM 135 CA LYS A 31 15.164 -14.543 -1.830 1.00 1.14 C ATOM 136 C LYS A 31 15.916 -13.341 -1.256 1.00 1.01 C ATOM 137 O LYS A 31 15.848 -13.079 -0.054 1.00 1.03 O ATOM 138 CB LYS A 31 13.654 -14.263 -1.894 1.00 1.14 C ATOM 139 CG LYS A 31 13.301 -12.829 -2.264 1.00 1.18 C ATOM 140 CD LYS A 31 12.226 -12.247 -1.350 1.00 1.26 C ATOM 141 CE LYS A 31 12.719 -12.091 0.082 1.00 1.93 C ATOM 142 NZ LYS A 31 13.235 -10.722 0.349 1.00 2.75 N ATOM 0 H LYS A 31 14.604 -16.078 -0.523 1.00 1.28 H new ATOM 0 HA LYS A 31 15.522 -14.721 -2.844 1.00 1.14 H new ATOM 0 HB2 LYS A 31 13.201 -14.936 -2.622 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.211 -14.496 -0.926 1.00 1.14 H new ATOM 0 HG2 LYS A 31 14.197 -12.210 -2.209 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.954 -12.797 -3.297 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.911 -11.276 -1.733 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.349 -12.895 -1.363 1.00 1.26 H new ATOM 0 HE2 LYS A 31 11.904 -12.312 0.772 1.00 1.93 H new ATOM 0 HE3 LYS A 31 13.507 -12.819 0.275 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 13.257 -10.553 1.375 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 14.196 -10.632 -0.038 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.613 -10.022 -0.103 1.00 2.75 H new ATOM 156 N PRO A 32 16.654 -12.609 -2.106 1.00 0.99 N ATOM 157 CA PRO A 32 17.421 -11.436 -1.680 1.00 0.97 C ATOM 158 C PRO A 32 16.536 -10.339 -1.094 1.00 0.85 C ATOM 159 O PRO A 32 15.336 -10.266 -1.376 1.00 0.89 O ATOM 160 CB PRO A 32 18.099 -10.950 -2.968 1.00 1.14 C ATOM 161 CG PRO A 32 17.326 -11.573 -4.080 1.00 1.38 C ATOM 162 CD PRO A 32 16.805 -12.874 -3.546 1.00 1.13 C ATOM 0 HA PRO A 32 18.125 -11.686 -0.886 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.079 -9.862 -3.036 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.146 -11.252 -2.999 1.00 1.14 H new ATOM 0 HG2 PRO A 32 16.508 -10.926 -4.396 1.00 1.38 H new ATOM 0 HG3 PRO A 32 17.960 -11.735 -4.952 1.00 1.38 H new ATOM 0 HD2 PRO A 32 15.856 -13.147 -4.007 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.499 -13.693 -3.734 1.00 1.13 H new ATOM 170 N GLY A 33 17.137 -9.494 -0.278 1.00 0.83 N ATOM 171 CA GLY A 33 16.413 -8.413 0.353 1.00 0.79 C ATOM 172 C GLY A 33 17.362 -7.347 0.833 1.00 0.76 C ATOM 173 O GLY A 33 17.484 -7.095 2.032 1.00 0.97 O ATOM 0 H GLY A 33 18.127 -9.538 -0.038 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.702 -7.983 -0.353 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.835 -8.797 1.193 1.00 0.79 H new ATOM 177 N ARG A 34 18.057 -6.737 -0.110 1.00 0.81 N ATOM 178 CA ARG A 34 19.088 -5.766 0.212 1.00 0.79 C ATOM 179 C ARG A 34 18.458 -4.424 0.541 1.00 0.79 C ATOM 180 O ARG A 34 17.599 -3.940 -0.183 1.00 0.97 O ATOM 181 CB ARG A 34 20.073 -5.632 -0.951 1.00 0.82 C ATOM 182 CG ARG A 34 20.529 -6.971 -1.514 1.00 1.24 C ATOM 183 CD ARG A 34 22.041 -7.041 -1.657 1.00 1.04 C ATOM 184 NE ARG A 34 22.540 -6.120 -2.675 1.00 0.98 N ATOM 185 CZ ARG A 34 23.031 -6.490 -3.856 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.087 -7.776 -4.194 1.00 1.93 N ATOM 187 NH2 ARG A 34 23.457 -5.564 -4.705 1.00 1.56 N ATOM 0 H ARG A 34 17.926 -6.897 -1.109 1.00 0.81 H new ATOM 0 HA ARG A 34 19.638 -6.112 1.087 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.607 -5.051 -1.747 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.945 -5.071 -0.616 1.00 0.82 H new ATOM 0 HG2 ARG A 34 20.189 -7.774 -0.861 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.065 -7.133 -2.487 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.506 -6.809 -0.699 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.334 -8.059 -1.915 1.00 1.04 H new ATOM 0 HE ARG A 34 22.510 -5.122 -2.466 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.752 -8.489 -3.546 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.465 -8.049 -5.101 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.407 -4.577 -4.451 1.00 1.56 H new ATOM 0 HH22 ARG A 34 23.835 -5.839 -5.612 1.00 1.56 H new ATOM 201 N LYS A 35 18.897 -3.829 1.633 1.00 0.80 N ATOM 202 CA LYS A 35 18.285 -2.610 2.134 1.00 0.82 C ATOM 203 C LYS A 35 18.795 -1.403 1.361 1.00 0.77 C ATOM 204 O LYS A 35 19.993 -1.138 1.337 1.00 0.93 O ATOM 205 CB LYS A 35 18.600 -2.454 3.624 1.00 0.87 C ATOM 206 CG LYS A 35 17.621 -1.569 4.373 1.00 1.42 C ATOM 207 CD LYS A 35 18.319 -0.760 5.453 1.00 1.71 C ATOM 208 CE LYS A 35 18.412 -1.533 6.757 1.00 1.85 C ATOM 209 NZ LYS A 35 18.966 -0.700 7.856 1.00 2.64 N ATOM 0 H LYS A 35 19.678 -4.170 2.193 1.00 0.80 H new ATOM 0 HA LYS A 35 17.205 -2.673 1.999 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.610 -3.440 4.088 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.603 -2.041 3.731 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.128 -0.895 3.672 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.843 -2.185 4.824 1.00 1.42 H new ATOM 0 HD2 LYS A 35 19.320 -0.490 5.117 1.00 1.71 H new ATOM 0 HD3 LYS A 35 17.777 0.171 5.619 1.00 1.71 H new ATOM 0 HE2 LYS A 35 17.422 -1.892 7.037 1.00 1.85 H new ATOM 0 HE3 LYS A 35 19.041 -2.411 6.614 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 18.888 -1.216 8.756 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 19.966 -0.490 7.662 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 18.432 0.190 7.920 1.00 2.64 H new ATOM 223 N THR A 36 17.897 -0.682 0.709 1.00 0.59 N ATOM 224 CA THR A 36 18.290 0.508 -0.028 1.00 0.54 C ATOM 225 C THR A 36 17.721 1.768 0.617 1.00 0.46 C ATOM 226 O THR A 36 16.767 1.701 1.399 1.00 0.46 O ATOM 227 CB THR A 36 17.857 0.445 -1.513 1.00 0.56 C ATOM 228 OG1 THR A 36 16.590 1.096 -1.702 1.00 0.54 O ATOM 229 CG2 THR A 36 17.758 -0.993 -2.004 1.00 0.68 C ATOM 0 H THR A 36 16.900 -0.897 0.675 1.00 0.59 H new ATOM 0 HA THR A 36 19.379 0.547 0.007 1.00 0.54 H new ATOM 0 HB THR A 36 18.622 0.962 -2.092 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.163 0.751 -2.514 1.00 0.54 H new ATOM 0 HG21 THR A 36 17.452 -1.000 -3.050 1.00 0.68 H new ATOM 0 HG22 THR A 36 18.729 -1.478 -1.907 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.022 -1.531 -1.407 1.00 0.68 H new ATOM 237 N ASN A 37 18.326 2.909 0.292 1.00 0.42 N ATOM 238 CA ASN A 37 17.856 4.210 0.762 1.00 0.40 C ATOM 239 C ASN A 37 16.397 4.413 0.383 1.00 0.33 C ATOM 240 O ASN A 37 15.588 4.809 1.208 1.00 0.33 O ATOM 241 CB ASN A 37 18.715 5.329 0.155 1.00 0.48 C ATOM 242 CG ASN A 37 18.122 6.713 0.354 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.757 7.094 1.464 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.027 7.482 -0.725 1.00 0.78 N ATOM 0 H ASN A 37 19.153 2.957 -0.303 1.00 0.42 H new ATOM 0 HA ASN A 37 17.944 4.242 1.848 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.709 5.299 0.602 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.840 5.144 -0.912 1.00 0.48 H new ATOM 0 HD21 ASN A 37 17.641 8.423 -0.648 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.340 7.132 -1.630 1.00 0.78 H new ATOM 251 N GLN A 38 16.081 4.109 -0.871 1.00 0.33 N ATOM 252 CA GLN A 38 14.725 4.231 -1.397 1.00 0.31 C ATOM 253 C GLN A 38 13.734 3.458 -0.533 1.00 0.26 C ATOM 254 O GLN A 38 12.674 3.973 -0.171 1.00 0.25 O ATOM 255 CB GLN A 38 14.686 3.691 -2.828 1.00 0.36 C ATOM 256 CG GLN A 38 13.961 4.586 -3.820 1.00 0.46 C ATOM 257 CD GLN A 38 14.211 4.167 -5.255 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.946 3.029 -5.639 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.715 5.086 -6.061 1.00 0.55 N ATOM 0 H GLN A 38 16.759 3.770 -1.554 1.00 0.33 H new ATOM 0 HA GLN A 38 14.442 5.284 -1.388 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.709 3.540 -3.174 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.204 2.713 -2.821 1.00 0.36 H new ATOM 0 HG2 GLN A 38 12.891 4.559 -3.616 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.286 5.617 -3.682 1.00 0.46 H new ATOM 0 HE21 GLN A 38 14.921 6.019 -5.705 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.897 4.862 -7.039 1.00 0.55 H new ATOM 268 N LEU A 39 14.103 2.228 -0.196 1.00 0.28 N ATOM 269 CA LEU A 39 13.245 1.341 0.579 1.00 0.31 C ATOM 270 C LEU A 39 12.889 1.947 1.932 1.00 0.29 C ATOM 271 O LEU A 39 11.713 2.135 2.252 1.00 0.30 O ATOM 272 CB LEU A 39 13.940 -0.006 0.781 1.00 0.38 C ATOM 273 CG LEU A 39 13.225 -0.974 1.724 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.603 -2.110 0.935 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.188 -1.515 2.771 1.00 0.80 C ATOM 0 H LEU A 39 15.002 1.819 -0.451 1.00 0.28 H new ATOM 0 HA LEU A 39 12.319 1.198 0.022 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.053 -0.487 -0.190 1.00 0.38 H new ATOM 0 HB3 LEU A 39 14.944 0.175 1.165 1.00 0.38 H new ATOM 0 HG LEU A 39 12.432 -0.432 2.240 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.097 -2.793 1.618 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.882 -1.707 0.224 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.383 -2.648 0.396 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.659 -2.202 3.432 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.004 -2.043 2.277 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.592 -0.688 3.355 1.00 0.80 H new ATOM 287 N GLN A 40 13.911 2.259 2.718 1.00 0.29 N ATOM 288 CA GLN A 40 13.706 2.783 4.060 1.00 0.30 C ATOM 289 C GLN A 40 13.162 4.205 4.008 1.00 0.26 C ATOM 290 O GLN A 40 12.487 4.657 4.939 1.00 0.28 O ATOM 291 CB GLN A 40 15.010 2.727 4.856 1.00 0.36 C ATOM 292 CG GLN A 40 15.227 1.386 5.538 1.00 0.42 C ATOM 293 CD GLN A 40 15.684 1.525 6.975 1.00 0.72 C ATOM 294 OE1 GLN A 40 16.881 1.508 7.260 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.738 1.650 7.893 1.00 0.83 N ATOM 0 H GLN A 40 14.890 2.158 2.449 1.00 0.29 H new ATOM 0 HA GLN A 40 12.968 2.161 4.565 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.847 2.929 4.188 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.005 3.516 5.609 1.00 0.36 H new ATOM 0 HG2 GLN A 40 14.299 0.815 5.510 1.00 0.42 H new ATOM 0 HG3 GLN A 40 15.969 0.815 4.979 1.00 0.42 H new ATOM 0 HE21 GLN A 40 13.756 1.660 7.616 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.991 1.737 8.877 1.00 0.83 H new ATOM 304 N TYR A 41 13.446 4.899 2.911 1.00 0.25 N ATOM 305 CA TYR A 41 12.922 6.225 2.694 1.00 0.24 C ATOM 306 C TYR A 41 11.408 6.190 2.634 1.00 0.22 C ATOM 307 O TYR A 41 10.746 6.767 3.484 1.00 0.23 O ATOM 308 CB TYR A 41 13.482 6.820 1.402 1.00 0.24 C ATOM 309 CG TYR A 41 13.085 8.255 1.185 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.905 8.576 0.538 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.899 9.287 1.620 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.547 9.890 0.326 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.551 10.603 1.419 1.00 0.52 C ATOM 314 CZ TYR A 41 12.336 10.899 0.803 1.00 0.53 C ATOM 315 OH TYR A 41 12.020 12.217 0.556 1.00 0.64 O ATOM 0 H TYR A 41 14.042 4.554 2.158 1.00 0.25 H new ATOM 0 HA TYR A 41 13.228 6.855 3.529 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.570 6.750 1.420 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.138 6.224 0.557 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.255 7.785 0.194 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.824 9.055 2.126 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.643 10.122 -0.217 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.211 11.397 1.735 1.00 0.52 H new ATOM 0 HH TYR A 41 12.428 12.498 -0.289 1.00 0.64 H new ATOM 325 N MET A 42 10.860 5.482 1.654 1.00 0.20 N ATOM 326 CA MET A 42 9.423 5.467 1.450 1.00 0.20 C ATOM 327 C MET A 42 8.722 4.949 2.697 1.00 0.21 C ATOM 328 O MET A 42 7.651 5.429 3.062 1.00 0.22 O ATOM 329 CB MET A 42 9.067 4.607 0.229 1.00 0.23 C ATOM 330 CG MET A 42 7.678 3.985 0.285 1.00 0.80 C ATOM 331 SD MET A 42 6.578 4.626 -0.991 1.00 1.07 S ATOM 332 CE MET A 42 7.084 3.640 -2.394 1.00 1.13 C ATOM 0 H MET A 42 11.389 4.914 0.992 1.00 0.20 H new ATOM 0 HA MET A 42 9.083 6.485 1.261 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.141 5.222 -0.668 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.805 3.811 0.132 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.764 2.904 0.176 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.239 4.173 1.265 1.00 0.80 H new ATOM 0 HE1 MET A 42 6.887 4.189 -3.315 1.00 1.13 H new ATOM 0 HE2 MET A 42 8.150 3.424 -2.321 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.524 2.705 -2.402 1.00 1.13 H new ATOM 342 N GLN A 43 9.365 3.999 3.362 1.00 0.24 N ATOM 343 CA GLN A 43 8.825 3.400 4.574 1.00 0.30 C ATOM 344 C GLN A 43 8.539 4.465 5.637 1.00 0.30 C ATOM 345 O GLN A 43 7.421 4.566 6.143 1.00 0.33 O ATOM 346 CB GLN A 43 9.808 2.343 5.101 1.00 0.42 C ATOM 347 CG GLN A 43 9.775 2.125 6.606 1.00 0.84 C ATOM 348 CD GLN A 43 10.928 1.265 7.078 1.00 0.76 C ATOM 349 OE1 GLN A 43 11.826 1.731 7.782 1.00 1.30 O ATOM 350 NE2 GLN A 43 10.919 0.006 6.686 1.00 0.54 N ATOM 0 H GLN A 43 10.270 3.624 3.079 1.00 0.24 H new ATOM 0 HA GLN A 43 7.876 2.918 4.339 1.00 0.30 H new ATOM 0 HB2 GLN A 43 9.597 1.394 4.607 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.818 2.634 4.814 1.00 0.42 H new ATOM 0 HG2 GLN A 43 9.810 3.089 7.113 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.833 1.653 6.884 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.157 -0.341 6.103 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.674 -0.621 6.965 1.00 0.54 H new ATOM 359 N ASN A 44 9.545 5.259 5.969 1.00 0.30 N ATOM 360 CA ASN A 44 9.400 6.269 7.014 1.00 0.33 C ATOM 361 C ASN A 44 8.853 7.583 6.477 1.00 0.31 C ATOM 362 O ASN A 44 8.219 8.342 7.207 1.00 0.34 O ATOM 363 CB ASN A 44 10.741 6.518 7.703 1.00 0.37 C ATOM 364 CG ASN A 44 11.250 5.297 8.440 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.746 4.947 9.507 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.248 4.637 7.874 1.00 0.47 N ATOM 0 H ASN A 44 10.467 5.227 5.535 1.00 0.30 H new ATOM 0 HA ASN A 44 8.681 5.878 7.734 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.477 6.822 6.959 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.637 7.345 8.405 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.628 3.804 8.323 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.637 4.961 6.989 1.00 0.47 H new ATOM 373 N VAL A 45 9.123 7.868 5.220 1.00 0.27 N ATOM 374 CA VAL A 45 8.731 9.138 4.632 1.00 0.27 C ATOM 375 C VAL A 45 7.334 9.087 4.023 1.00 0.24 C ATOM 376 O VAL A 45 6.444 9.833 4.424 1.00 0.28 O ATOM 377 CB VAL A 45 9.734 9.565 3.547 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.257 10.810 2.830 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.113 9.776 4.149 1.00 0.30 C ATOM 0 H VAL A 45 9.612 7.239 4.583 1.00 0.27 H new ATOM 0 HA VAL A 45 8.724 9.867 5.443 1.00 0.27 H new ATOM 0 HB VAL A 45 9.804 8.764 2.811 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.983 11.092 2.068 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.294 10.612 2.358 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.149 11.624 3.547 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.809 10.078 3.367 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.063 10.555 4.910 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.458 8.847 4.603 1.00 0.30 H new ATOM 389 N VAL A 46 7.136 8.186 3.079 1.00 0.19 N ATOM 390 CA VAL A 46 5.914 8.179 2.294 1.00 0.19 C ATOM 391 C VAL A 46 4.766 7.533 3.060 1.00 0.19 C ATOM 392 O VAL A 46 3.772 8.194 3.372 1.00 0.19 O ATOM 393 CB VAL A 46 6.105 7.457 0.943 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.839 7.555 0.104 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.294 8.037 0.188 1.00 0.22 C ATOM 0 H VAL A 46 7.802 7.452 2.837 1.00 0.19 H new ATOM 0 HA VAL A 46 5.665 9.222 2.096 1.00 0.19 H new ATOM 0 HB VAL A 46 6.307 6.404 1.141 1.00 0.20 H new ATOM 0 HG11 VAL A 46 4.991 7.041 -0.845 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.011 7.091 0.640 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.608 8.603 -0.084 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.412 7.515 -0.761 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.124 9.097 0.000 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.198 7.915 0.784 1.00 0.22 H new ATOM 405 N VAL A 47 4.911 6.250 3.384 1.00 0.20 N ATOM 406 CA VAL A 47 3.833 5.508 4.023 1.00 0.23 C ATOM 407 C VAL A 47 3.485 6.087 5.396 1.00 0.23 C ATOM 408 O VAL A 47 2.325 6.073 5.792 1.00 0.25 O ATOM 409 CB VAL A 47 4.142 3.987 4.128 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.311 3.605 3.240 1.00 0.70 C ATOM 411 CG2 VAL A 47 4.400 3.542 5.563 1.00 0.83 C ATOM 0 H VAL A 47 5.759 5.708 3.215 1.00 0.20 H new ATOM 0 HA VAL A 47 2.961 5.618 3.378 1.00 0.23 H new ATOM 0 HB VAL A 47 3.250 3.465 3.781 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.505 2.536 3.333 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.073 3.841 2.203 1.00 0.70 H new ATOM 0 HG13 VAL A 47 6.197 4.162 3.545 1.00 0.70 H new ATOM 0 HG21 VAL A 47 4.610 2.473 5.580 1.00 0.83 H new ATOM 0 HG22 VAL A 47 5.255 4.086 5.965 1.00 0.83 H new ATOM 0 HG23 VAL A 47 3.520 3.748 6.172 1.00 0.83 H new ATOM 421 N LYS A 48 4.478 6.618 6.111 1.00 0.26 N ATOM 422 CA LYS A 48 4.227 7.205 7.423 1.00 0.30 C ATOM 423 C LYS A 48 3.384 8.475 7.316 1.00 0.28 C ATOM 424 O LYS A 48 2.552 8.746 8.181 1.00 0.33 O ATOM 425 CB LYS A 48 5.541 7.510 8.138 1.00 0.36 C ATOM 426 CG LYS A 48 5.782 6.644 9.365 1.00 0.53 C ATOM 427 CD LYS A 48 5.566 7.427 10.649 1.00 1.25 C ATOM 428 CE LYS A 48 5.784 6.558 11.879 1.00 1.79 C ATOM 429 NZ LYS A 48 7.000 6.961 12.637 1.00 2.40 N ATOM 0 H LYS A 48 5.451 6.653 5.807 1.00 0.26 H new ATOM 0 HA LYS A 48 3.667 6.474 8.006 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.366 7.372 7.439 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.548 8.558 8.437 1.00 0.36 H new ATOM 0 HG2 LYS A 48 5.111 5.786 9.344 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.799 6.254 9.342 1.00 0.53 H new ATOM 0 HD2 LYS A 48 6.249 8.276 10.677 1.00 1.25 H new ATOM 0 HD3 LYS A 48 4.554 7.831 10.663 1.00 1.25 H new ATOM 0 HE2 LYS A 48 4.912 6.625 12.530 1.00 1.79 H new ATOM 0 HE3 LYS A 48 5.875 5.515 11.575 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 7.112 6.344 13.467 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.836 6.873 12.025 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 6.903 7.948 12.950 1.00 2.40 H new ATOM 443 N THR A 49 3.589 9.248 6.255 1.00 0.23 N ATOM 444 CA THR A 49 2.812 10.462 6.057 1.00 0.24 C ATOM 445 C THR A 49 1.390 10.121 5.609 1.00 0.22 C ATOM 446 O THR A 49 0.427 10.763 6.033 1.00 0.24 O ATOM 447 CB THR A 49 3.481 11.413 5.042 1.00 0.28 C ATOM 448 OG1 THR A 49 4.850 11.627 5.409 1.00 0.55 O ATOM 449 CG2 THR A 49 2.759 12.753 4.992 1.00 0.52 C ATOM 0 H THR A 49 4.278 9.057 5.528 1.00 0.23 H new ATOM 0 HA THR A 49 2.768 10.981 7.015 1.00 0.24 H new ATOM 0 HB THR A 49 3.428 10.951 4.056 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.433 11.122 4.805 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.250 13.404 4.269 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.722 12.597 4.694 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.787 13.218 5.977 1.00 0.52 H new ATOM 457 N LEU A 50 1.264 9.093 4.771 1.00 0.20 N ATOM 458 CA LEU A 50 -0.047 8.608 4.354 1.00 0.21 C ATOM 459 C LEU A 50 -0.781 8.004 5.550 1.00 0.20 C ATOM 460 O LEU A 50 -1.989 8.168 5.706 1.00 0.21 O ATOM 461 CB LEU A 50 0.094 7.561 3.236 1.00 0.24 C ATOM 462 CG LEU A 50 -0.750 7.805 1.973 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.316 6.500 1.445 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.879 8.788 2.246 1.00 0.29 C ATOM 0 H LEU A 50 2.051 8.583 4.370 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.623 9.448 3.968 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.143 7.510 2.944 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.171 6.585 3.643 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.094 8.237 1.217 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.909 6.696 0.552 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.499 5.823 1.197 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.947 6.042 2.207 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.457 8.940 1.335 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.528 8.389 3.026 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.461 9.740 2.574 1.00 0.29 H new ATOM 476 N TRP A 51 -0.023 7.325 6.401 1.00 0.22 N ATOM 477 CA TRP A 51 -0.561 6.689 7.599 1.00 0.24 C ATOM 478 C TRP A 51 -1.093 7.719 8.592 1.00 0.26 C ATOM 479 O TRP A 51 -1.969 7.424 9.400 1.00 0.29 O ATOM 480 CB TRP A 51 0.525 5.842 8.267 1.00 0.27 C ATOM 481 CG TRP A 51 -0.016 4.778 9.167 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.481 4.944 10.440 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.145 3.384 8.870 1.00 0.29 C ATOM 484 NE1 TRP A 51 -0.900 3.745 10.948 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.702 2.768 10.005 1.00 0.31 C ATOM 486 CE3 TRP A 51 0.149 2.596 7.751 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -0.973 1.403 10.054 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.112 1.241 7.804 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.669 0.656 8.949 1.00 0.39 C ATOM 0 H TRP A 51 0.982 7.199 6.281 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.393 6.054 7.296 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.137 5.376 7.495 1.00 0.27 H new ATOM 0 HB3 TRP A 51 1.181 6.495 8.843 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.513 5.885 10.969 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.295 3.601 11.877 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.572 3.040 6.862 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.408 0.950 10.933 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 0.117 0.622 6.949 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -0.862 -0.407 8.959 1.00 0.39 H new ATOM 500 N LYS A 52 -0.565 8.929 8.536 1.00 0.27 N ATOM 501 CA LYS A 52 -0.965 9.955 9.483 1.00 0.29 C ATOM 502 C LYS A 52 -2.156 10.758 8.973 1.00 0.30 C ATOM 503 O LYS A 52 -2.603 11.702 9.622 1.00 0.45 O ATOM 504 CB LYS A 52 0.204 10.863 9.815 1.00 0.33 C ATOM 505 CG LYS A 52 1.088 10.286 10.907 1.00 0.48 C ATOM 506 CD LYS A 52 0.988 11.088 12.195 1.00 1.13 C ATOM 507 CE LYS A 52 -0.167 10.606 13.056 1.00 1.74 C ATOM 508 NZ LYS A 52 -0.217 11.301 14.369 1.00 2.24 N ATOM 0 H LYS A 52 0.134 9.223 7.853 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.281 9.455 10.399 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.800 11.028 8.917 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.172 11.836 10.131 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.801 9.252 11.099 1.00 0.48 H new ATOM 0 HG3 LYS A 52 2.124 10.271 10.567 1.00 0.48 H new ATOM 0 HD2 LYS A 52 1.921 11.003 12.753 1.00 1.13 H new ATOM 0 HD3 LYS A 52 0.853 12.144 11.959 1.00 1.13 H new ATOM 0 HE2 LYS A 52 -1.105 10.767 12.525 1.00 1.74 H new ATOM 0 HE3 LYS A 52 -0.073 9.532 13.219 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 -1.020 10.940 14.922 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 0.667 11.127 14.888 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 -0.333 12.323 14.217 1.00 2.24 H new ATOM 522 N HIS A 53 -2.673 10.372 7.815 1.00 0.25 N ATOM 523 CA HIS A 53 -3.865 11.004 7.268 1.00 0.26 C ATOM 524 C HIS A 53 -5.105 10.285 7.778 1.00 0.31 C ATOM 525 O HIS A 53 -5.205 9.060 7.684 1.00 0.35 O ATOM 526 CB HIS A 53 -3.830 10.973 5.742 1.00 0.24 C ATOM 527 CG HIS A 53 -4.705 11.997 5.087 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.907 11.651 4.531 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.482 13.314 4.868 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.383 12.750 3.979 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.556 13.790 4.158 1.00 0.39 N ATOM 0 H HIS A 53 -2.286 9.626 7.237 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.895 12.044 7.592 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.803 11.123 5.410 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.133 9.982 5.403 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.622 13.882 5.191 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.322 12.805 3.449 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.697 14.746 3.831 1.00 0.39 H new ATOM 539 N GLN A 54 -6.058 11.045 8.296 1.00 0.42 N ATOM 540 CA GLN A 54 -7.214 10.463 8.967 1.00 0.54 C ATOM 541 C GLN A 54 -8.248 9.928 7.976 1.00 0.42 C ATOM 542 O GLN A 54 -9.256 9.350 8.377 1.00 0.47 O ATOM 543 CB GLN A 54 -7.855 11.485 9.905 1.00 0.79 C ATOM 544 CG GLN A 54 -7.820 11.065 11.367 1.00 1.09 C ATOM 545 CD GLN A 54 -6.408 10.870 11.893 1.00 1.24 C ATOM 546 OE1 GLN A 54 -5.804 11.794 12.437 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.872 9.668 11.740 1.00 1.21 N ATOM 0 H GLN A 54 -6.055 12.065 8.266 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.856 9.615 9.551 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.341 12.440 9.796 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.891 11.644 9.605 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -8.325 11.820 11.969 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.378 10.136 11.486 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -6.404 8.927 11.284 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -4.928 9.484 12.078 1.00 1.21 H new ATOM 556 N PHE A 55 -8.000 10.118 6.689 1.00 0.36 N ATOM 557 CA PHE A 55 -8.877 9.567 5.662 1.00 0.31 C ATOM 558 C PHE A 55 -8.366 8.203 5.213 1.00 0.27 C ATOM 559 O PHE A 55 -9.055 7.465 4.513 1.00 0.29 O ATOM 560 CB PHE A 55 -8.974 10.517 4.468 1.00 0.36 C ATOM 561 CG PHE A 55 -10.158 11.445 4.520 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.728 11.791 5.737 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.701 11.971 3.357 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.815 12.643 5.792 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.787 12.824 3.407 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.347 13.158 4.605 1.00 0.86 C ATOM 0 H PHE A 55 -7.204 10.646 6.330 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.874 9.448 6.086 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.062 11.111 4.414 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.026 9.929 3.552 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.317 11.390 6.652 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.270 11.711 2.401 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.250 12.909 6.744 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.195 13.228 2.492 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.200 13.819 4.637 1.00 0.86 H new ATOM 576 N ALA A 56 -7.157 7.865 5.643 1.00 0.25 N ATOM 577 CA ALA A 56 -6.551 6.581 5.315 1.00 0.25 C ATOM 578 C ALA A 56 -6.857 5.554 6.398 1.00 0.26 C ATOM 579 O ALA A 56 -6.184 4.530 6.516 1.00 0.28 O ATOM 580 CB ALA A 56 -5.047 6.743 5.147 1.00 0.28 C ATOM 0 H ALA A 56 -6.573 8.467 6.224 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.974 6.224 4.376 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.602 5.778 4.902 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.845 7.451 4.343 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.615 7.116 6.076 1.00 0.28 H new ATOM 586 N TRP A 57 -7.890 5.824 7.178 1.00 0.30 N ATOM 587 CA TRP A 57 -8.223 4.977 8.320 1.00 0.34 C ATOM 588 C TRP A 57 -8.720 3.574 7.915 1.00 0.35 C ATOM 589 O TRP A 57 -8.421 2.607 8.617 1.00 0.40 O ATOM 590 CB TRP A 57 -9.202 5.674 9.286 1.00 0.37 C ATOM 591 CG TRP A 57 -10.588 5.899 8.763 1.00 0.38 C ATOM 592 CD1 TRP A 57 -11.000 6.910 7.950 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.752 5.109 9.042 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.343 6.798 7.698 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.830 5.702 8.357 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.986 3.958 9.798 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.121 5.183 8.410 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.269 3.445 9.851 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.323 4.059 9.159 1.00 0.58 C ATOM 0 H TRP A 57 -8.514 6.620 7.045 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.287 4.820 8.857 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.270 5.078 10.196 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.780 6.639 9.567 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.361 7.688 7.560 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.891 7.430 7.114 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.179 3.477 10.332 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.934 5.653 7.877 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.463 2.557 10.435 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.314 3.635 9.220 1.00 0.58 H new ATOM 610 N PRO A 58 -9.459 3.400 6.789 1.00 0.34 N ATOM 611 CA PRO A 58 -9.835 2.070 6.315 1.00 0.40 C ATOM 612 C PRO A 58 -8.705 1.429 5.518 1.00 0.36 C ATOM 613 O PRO A 58 -8.888 0.403 4.870 1.00 0.45 O ATOM 614 CB PRO A 58 -11.048 2.328 5.406 1.00 0.47 C ATOM 615 CG PRO A 58 -11.289 3.802 5.434 1.00 0.40 C ATOM 616 CD PRO A 58 -10.010 4.430 5.898 1.00 0.32 C ATOM 0 HA PRO A 58 -10.053 1.387 7.136 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.852 1.986 4.390 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -11.923 1.784 5.762 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.566 4.169 4.446 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.110 4.049 6.107 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.340 4.649 5.067 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.185 5.369 6.422 1.00 0.32 H new ATOM 624 N PHE A 59 -7.541 2.061 5.567 1.00 0.31 N ATOM 625 CA PHE A 59 -6.386 1.609 4.811 1.00 0.31 C ATOM 626 C PHE A 59 -5.287 1.097 5.737 1.00 0.31 C ATOM 627 O PHE A 59 -4.365 0.421 5.290 1.00 0.52 O ATOM 628 CB PHE A 59 -5.860 2.750 3.941 1.00 0.36 C ATOM 629 CG PHE A 59 -6.281 2.649 2.504 1.00 0.47 C ATOM 630 CD1 PHE A 59 -5.821 1.615 1.706 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.134 3.589 1.948 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.205 1.519 0.381 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.521 3.498 0.625 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.064 2.460 -0.157 1.00 0.95 C ATOM 0 H PHE A 59 -7.373 2.896 6.128 1.00 0.31 H new ATOM 0 HA PHE A 59 -6.695 0.782 4.172 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.210 3.698 4.348 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.771 2.764 3.992 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -5.154 0.875 2.123 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.501 4.403 2.556 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -5.835 0.711 -0.232 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -8.182 4.241 0.204 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.376 2.381 -1.188 1.00 0.95 H new ATOM 644 N TYR A 60 -5.384 1.423 7.028 1.00 0.35 N ATOM 645 CA TYR A 60 -4.411 0.936 8.012 1.00 0.39 C ATOM 646 C TYR A 60 -4.530 -0.570 8.164 1.00 0.45 C ATOM 647 O TYR A 60 -3.566 -1.259 8.500 1.00 0.63 O ATOM 648 CB TYR A 60 -4.636 1.559 9.395 1.00 0.46 C ATOM 649 CG TYR A 60 -4.714 3.067 9.428 1.00 0.37 C ATOM 650 CD1 TYR A 60 -3.952 3.854 8.577 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.553 3.699 10.333 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.032 5.236 8.627 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.638 5.073 10.390 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.879 5.838 9.536 1.00 0.45 C ATOM 655 OH TYR A 60 -4.972 7.210 9.598 1.00 0.58 O ATOM 0 H TYR A 60 -6.118 2.016 7.415 1.00 0.35 H new ATOM 0 HA TYR A 60 -3.424 1.218 7.644 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -5.561 1.156 9.809 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -3.827 1.241 10.053 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.288 3.383 7.867 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.151 3.103 11.006 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.435 5.839 7.959 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.298 5.547 11.102 1.00 0.56 H new ATOM 0 HH TYR A 60 -5.046 7.574 8.691 1.00 0.58 H new ATOM 665 N GLN A 61 -5.731 -1.063 7.925 1.00 0.46 N ATOM 666 CA GLN A 61 -6.054 -2.452 8.174 1.00 0.55 C ATOM 667 C GLN A 61 -5.970 -3.255 6.887 1.00 0.56 C ATOM 668 O GLN A 61 -6.725 -3.010 5.945 1.00 0.57 O ATOM 669 CB GLN A 61 -7.451 -2.561 8.788 1.00 0.65 C ATOM 670 CG GLN A 61 -7.883 -1.308 9.540 1.00 0.71 C ATOM 671 CD GLN A 61 -9.382 -1.088 9.507 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.162 -2.033 9.602 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.797 0.162 9.378 1.00 1.63 N ATOM 0 H GLN A 61 -6.506 -0.513 7.554 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.330 -2.862 8.878 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.172 -2.767 7.997 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.474 -3.411 9.470 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -7.554 -1.381 10.577 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.384 -0.441 9.108 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.118 0.919 9.302 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.796 0.368 9.355 1.00 1.63 H new ATOM 682 N PRO A 62 -5.044 -4.223 6.834 1.00 0.63 N ATOM 683 CA PRO A 62 -4.837 -5.048 5.648 1.00 0.68 C ATOM 684 C PRO A 62 -6.062 -5.879 5.295 1.00 0.69 C ATOM 685 O PRO A 62 -6.665 -6.522 6.167 1.00 0.77 O ATOM 686 CB PRO A 62 -3.661 -5.954 6.026 1.00 0.78 C ATOM 687 CG PRO A 62 -3.581 -5.912 7.511 1.00 0.87 C ATOM 688 CD PRO A 62 -4.121 -4.575 7.925 1.00 0.73 C ATOM 0 HA PRO A 62 -4.646 -4.438 4.765 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -3.821 -6.972 5.671 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -2.734 -5.601 5.574 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -4.162 -6.720 7.955 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.552 -6.037 7.848 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.636 -4.630 8.884 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.326 -3.837 8.032 1.00 0.73 H new ATOM 696 N VAL A 63 -6.428 -5.862 4.017 1.00 0.66 N ATOM 697 CA VAL A 63 -7.554 -6.644 3.539 1.00 0.69 C ATOM 698 C VAL A 63 -7.280 -8.126 3.749 1.00 0.77 C ATOM 699 O VAL A 63 -6.399 -8.720 3.125 1.00 0.88 O ATOM 700 CB VAL A 63 -7.891 -6.362 2.057 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.671 -7.516 1.450 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.698 -5.082 1.936 1.00 0.75 C ATOM 0 H VAL A 63 -5.958 -5.314 3.296 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.426 -6.345 4.120 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.953 -6.250 1.513 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.896 -7.294 0.407 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.076 -8.427 1.507 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.601 -7.656 2.000 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.929 -4.895 0.887 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.626 -5.182 2.499 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.120 -4.248 2.335 1.00 0.75 H new ATOM 712 N ASP A 64 -8.033 -8.700 4.663 1.00 0.79 N ATOM 713 CA ASP A 64 -7.841 -10.078 5.070 1.00 0.93 C ATOM 714 C ASP A 64 -9.128 -10.863 4.850 1.00 1.00 C ATOM 715 O ASP A 64 -9.174 -12.078 5.029 1.00 1.51 O ATOM 716 CB ASP A 64 -7.398 -10.074 6.541 1.00 1.02 C ATOM 717 CG ASP A 64 -7.768 -11.314 7.325 1.00 1.29 C ATOM 718 OD1 ASP A 64 -6.955 -12.259 7.356 1.00 1.42 O ATOM 719 OD2 ASP A 64 -8.849 -11.320 7.951 1.00 1.85 O ATOM 0 H ASP A 64 -8.796 -8.225 5.146 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.071 -10.568 4.475 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.316 -9.949 6.578 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.837 -9.207 7.034 1.00 1.02 H new ATOM 724 N ALA A 65 -10.164 -10.138 4.414 1.00 0.94 N ATOM 725 CA ALA A 65 -11.503 -10.692 4.180 1.00 0.94 C ATOM 726 C ALA A 65 -12.240 -10.950 5.489 1.00 1.03 C ATOM 727 O ALA A 65 -13.427 -10.668 5.599 1.00 1.29 O ATOM 728 CB ALA A 65 -11.455 -11.959 3.331 1.00 0.96 C ATOM 0 H ALA A 65 -10.096 -9.141 4.212 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.060 -9.939 3.621 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.467 -12.336 3.182 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.006 -11.732 2.364 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.857 -12.715 3.840 1.00 0.96 H new ATOM 734 N ILE A 66 -11.535 -11.454 6.485 1.00 1.03 N ATOM 735 CA ILE A 66 -12.152 -11.800 7.755 1.00 1.14 C ATOM 736 C ILE A 66 -12.209 -10.593 8.690 1.00 1.13 C ATOM 737 O ILE A 66 -13.290 -10.142 9.068 1.00 1.19 O ATOM 738 CB ILE A 66 -11.399 -12.955 8.446 1.00 1.24 C ATOM 739 CG1 ILE A 66 -11.212 -14.125 7.475 1.00 1.35 C ATOM 740 CG2 ILE A 66 -12.144 -13.412 9.691 1.00 1.37 C ATOM 741 CD1 ILE A 66 -9.817 -14.714 7.488 1.00 1.89 C ATOM 0 H ILE A 66 -10.532 -11.634 6.440 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.170 -12.124 7.538 1.00 1.14 H new ATOM 0 HB ILE A 66 -10.416 -12.593 8.748 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -11.929 -14.908 7.722 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -11.444 -13.787 6.465 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -11.597 -14.227 10.164 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -12.230 -12.580 10.389 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -13.140 -13.757 9.413 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -9.763 -15.537 6.775 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -9.095 -13.946 7.211 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -9.588 -15.084 8.487 1.00 1.89 H new ATOM 753 N LYS A 67 -11.044 -10.048 9.036 1.00 1.10 N ATOM 754 CA LYS A 67 -10.976 -8.952 10.006 1.00 1.15 C ATOM 755 C LYS A 67 -11.517 -7.638 9.435 1.00 1.13 C ATOM 756 O LYS A 67 -11.717 -6.672 10.170 1.00 1.27 O ATOM 757 CB LYS A 67 -9.546 -8.762 10.531 1.00 1.21 C ATOM 758 CG LYS A 67 -8.555 -8.226 9.512 1.00 1.50 C ATOM 759 CD LYS A 67 -7.151 -8.739 9.800 1.00 1.90 C ATOM 760 CE LYS A 67 -6.095 -7.967 9.024 1.00 2.46 C ATOM 761 NZ LYS A 67 -5.035 -8.863 8.478 1.00 2.99 N ATOM 0 H LYS A 67 -10.141 -10.343 8.664 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.617 -9.234 10.841 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.575 -8.081 11.381 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.181 -9.720 10.902 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -8.859 -8.528 8.510 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -8.560 -7.136 9.532 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -6.947 -8.659 10.868 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -7.091 -9.796 9.542 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -6.570 -7.427 8.205 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -5.639 -7.222 9.676 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -4.136 -8.675 8.966 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -5.309 -9.855 8.627 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -4.920 -8.685 7.460 1.00 2.99 H new ATOM 775 N LEU A 68 -11.757 -7.601 8.132 1.00 1.02 N ATOM 776 CA LEU A 68 -12.355 -6.424 7.512 1.00 1.03 C ATOM 777 C LEU A 68 -13.741 -6.754 6.957 1.00 1.05 C ATOM 778 O LEU A 68 -14.435 -5.884 6.429 1.00 1.10 O ATOM 779 CB LEU A 68 -11.455 -5.883 6.397 1.00 1.02 C ATOM 780 CG LEU A 68 -11.431 -4.352 6.231 1.00 1.07 C ATOM 781 CD1 LEU A 68 -12.321 -3.653 7.253 1.00 1.61 C ATOM 782 CD2 LEU A 68 -10.008 -3.839 6.342 1.00 1.66 C ATOM 0 H LEU A 68 -11.550 -8.364 7.488 1.00 1.02 H new ATOM 0 HA LEU A 68 -12.460 -5.655 8.277 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -10.436 -6.224 6.582 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -11.773 -6.326 5.453 1.00 1.02 H new ATOM 0 HG LEU A 68 -11.825 -4.122 5.241 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -12.274 -2.575 7.099 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -13.350 -3.992 7.132 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -11.976 -3.892 8.259 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -10.002 -2.756 6.223 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -9.603 -4.099 7.320 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -9.396 -4.293 5.563 1.00 1.66 H new ATOM 794 N ASN A 69 -14.137 -8.017 7.098 1.00 1.06 N ATOM 795 CA ASN A 69 -15.425 -8.506 6.598 1.00 1.12 C ATOM 796 C ASN A 69 -15.621 -8.174 5.117 1.00 1.09 C ATOM 797 O ASN A 69 -16.645 -7.623 4.717 1.00 1.15 O ATOM 798 CB ASN A 69 -16.580 -7.952 7.431 1.00 1.24 C ATOM 799 CG ASN A 69 -17.804 -8.848 7.385 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.744 -8.599 6.630 1.00 1.74 O ATOM 801 ND2 ASN A 69 -17.804 -9.897 8.196 1.00 1.55 N ATOM 0 H ASN A 69 -13.576 -8.732 7.561 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.419 -9.592 6.695 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.256 -7.836 8.465 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -16.845 -6.960 7.066 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.602 -10.532 8.209 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -17.006 -10.069 8.807 1.00 1.55 H new ATOM 808 N LEU A 70 -14.621 -8.507 4.314 1.00 1.04 N ATOM 809 CA LEU A 70 -14.698 -8.362 2.866 1.00 1.01 C ATOM 810 C LEU A 70 -14.495 -9.724 2.202 1.00 0.99 C ATOM 811 O LEU A 70 -13.459 -9.973 1.582 1.00 0.95 O ATOM 812 CB LEU A 70 -13.644 -7.366 2.369 1.00 1.01 C ATOM 813 CG LEU A 70 -13.513 -6.097 3.202 1.00 1.13 C ATOM 814 CD1 LEU A 70 -12.251 -5.359 2.813 1.00 1.61 C ATOM 815 CD2 LEU A 70 -14.736 -5.212 3.033 1.00 1.54 C ATOM 0 H LEU A 70 -13.734 -8.885 4.646 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.683 -7.978 2.601 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.676 -7.867 2.343 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.886 -7.086 1.344 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.448 -6.370 4.255 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -12.161 -4.452 3.411 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -11.386 -5.998 2.991 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -12.295 -5.094 1.757 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -14.620 -4.312 3.637 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -14.842 -4.934 1.984 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -15.625 -5.754 3.356 1.00 1.54 H new ATOM 827 N PRO A 71 -15.486 -10.626 2.322 1.00 1.06 N ATOM 828 CA PRO A 71 -15.341 -12.029 1.906 1.00 1.11 C ATOM 829 C PRO A 71 -15.254 -12.208 0.394 1.00 1.05 C ATOM 830 O PRO A 71 -14.591 -13.126 -0.094 1.00 1.09 O ATOM 831 CB PRO A 71 -16.613 -12.690 2.445 1.00 1.28 C ATOM 832 CG PRO A 71 -17.611 -11.593 2.541 1.00 1.30 C ATOM 833 CD PRO A 71 -16.833 -10.348 2.863 1.00 1.18 C ATOM 0 HA PRO A 71 -14.414 -12.460 2.285 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -16.959 -13.480 1.779 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -16.437 -13.148 3.418 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.157 -11.480 1.604 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.348 -11.803 3.316 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.277 -9.467 2.399 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -16.803 -10.161 3.936 1.00 1.18 H new ATOM 841 N ASP A 72 -15.918 -11.335 -0.351 1.00 1.04 N ATOM 842 CA ASP A 72 -15.955 -11.462 -1.802 1.00 1.07 C ATOM 843 C ASP A 72 -14.964 -10.518 -2.465 1.00 0.94 C ATOM 844 O ASP A 72 -14.969 -10.350 -3.685 1.00 0.95 O ATOM 845 CB ASP A 72 -17.367 -11.216 -2.331 1.00 1.24 C ATOM 846 CG ASP A 72 -17.975 -12.470 -2.926 1.00 1.49 C ATOM 847 OD1 ASP A 72 -17.449 -13.573 -2.661 1.00 1.93 O ATOM 848 OD2 ASP A 72 -18.982 -12.368 -3.654 1.00 1.97 O ATOM 0 H ASP A 72 -16.434 -10.538 0.021 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.665 -12.482 -2.053 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.000 -10.855 -1.521 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.340 -10.432 -3.088 1.00 1.24 H new ATOM 853 N TYR A 73 -14.096 -9.922 -1.657 1.00 0.87 N ATOM 854 CA TYR A 73 -13.066 -9.026 -2.164 1.00 0.79 C ATOM 855 C TYR A 73 -12.106 -9.785 -3.070 1.00 0.74 C ATOM 856 O TYR A 73 -11.673 -9.274 -4.102 1.00 0.73 O ATOM 857 CB TYR A 73 -12.295 -8.391 -1.004 1.00 0.78 C ATOM 858 CG TYR A 73 -11.593 -7.097 -1.365 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.273 -5.887 -1.369 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.243 -7.089 -1.700 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.632 -4.707 -1.697 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.595 -5.913 -2.029 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.294 -4.725 -2.026 1.00 0.94 C ATOM 864 OH TYR A 73 -9.656 -3.553 -2.356 1.00 1.13 O ATOM 0 H TYR A 73 -14.086 -10.044 -0.644 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.548 -8.237 -2.741 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.986 -8.201 -0.183 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.556 -9.104 -0.639 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.322 -5.867 -1.111 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.692 -8.018 -1.703 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.178 -3.775 -1.695 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.546 -5.925 -2.287 1.00 0.90 H new ATOM 0 HH TYR A 73 -8.711 -3.612 -2.103 1.00 1.13 H new ATOM 874 N HIS A 74 -11.820 -11.028 -2.694 1.00 0.79 N ATOM 875 CA HIS A 74 -10.838 -11.846 -3.401 1.00 0.80 C ATOM 876 C HIS A 74 -11.423 -12.438 -4.679 1.00 0.85 C ATOM 877 O HIS A 74 -10.738 -13.149 -5.412 1.00 0.91 O ATOM 878 CB HIS A 74 -10.341 -12.985 -2.502 1.00 0.89 C ATOM 879 CG HIS A 74 -9.777 -12.542 -1.186 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.202 -11.303 -1.024 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.724 -13.209 -0.007 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.815 -11.245 0.237 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.110 -12.376 0.893 1.00 0.82 N ATOM 0 H HIS A 74 -12.257 -11.494 -1.899 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.004 -11.196 -3.666 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -11.168 -13.670 -2.316 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -9.577 -13.547 -3.039 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -10.094 -14.205 0.186 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.323 -10.394 0.684 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -8.915 -12.578 1.874 1.00 0.82 H new ATOM 891 N LYS A 75 -12.691 -12.156 -4.940 1.00 0.89 N ATOM 892 CA LYS A 75 -13.358 -12.680 -6.124 1.00 0.97 C ATOM 893 C LYS A 75 -13.323 -11.653 -7.242 1.00 0.92 C ATOM 894 O LYS A 75 -13.523 -11.977 -8.412 1.00 1.11 O ATOM 895 CB LYS A 75 -14.806 -13.058 -5.802 1.00 1.09 C ATOM 896 CG LYS A 75 -14.956 -13.844 -4.513 1.00 1.20 C ATOM 897 CD LYS A 75 -14.632 -15.313 -4.713 1.00 1.68 C ATOM 898 CE LYS A 75 -15.552 -16.203 -3.896 1.00 2.05 C ATOM 899 NZ LYS A 75 -15.820 -15.646 -2.542 1.00 2.86 N ATOM 0 H LYS A 75 -13.279 -11.568 -4.349 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.830 -13.576 -6.450 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.404 -12.149 -5.735 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.211 -13.646 -6.626 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.297 -13.426 -3.752 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.976 -13.743 -4.141 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -14.723 -15.566 -5.769 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -13.597 -15.500 -4.429 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -16.495 -16.332 -4.427 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.104 -17.192 -3.798 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -15.970 -16.425 -1.870 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -15.007 -15.075 -2.235 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -16.671 -15.048 -2.575 1.00 2.86 H new ATOM 913 N ILE A 76 -13.067 -10.410 -6.870 1.00 0.78 N ATOM 914 CA ILE A 76 -12.972 -9.335 -7.837 1.00 0.77 C ATOM 915 C ILE A 76 -11.553 -8.781 -7.869 1.00 0.69 C ATOM 916 O ILE A 76 -10.976 -8.577 -8.938 1.00 0.78 O ATOM 917 CB ILE A 76 -13.979 -8.203 -7.526 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.414 -8.691 -7.758 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.692 -6.972 -8.378 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.251 -8.751 -6.497 1.00 1.00 C ATOM 0 H ILE A 76 -12.921 -10.122 -5.902 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.220 -9.744 -8.817 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.868 -7.924 -6.478 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.901 -8.030 -8.475 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.382 -9.683 -8.209 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.413 -6.190 -8.141 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.685 -6.612 -8.169 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.773 -7.233 -9.433 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.253 -9.105 -6.742 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.788 -9.435 -5.785 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.315 -7.757 -6.055 1.00 1.00 H new ATOM 932 N ILE A 77 -10.984 -8.556 -6.697 1.00 0.58 N ATOM 933 CA ILE A 77 -9.631 -8.038 -6.600 1.00 0.53 C ATOM 934 C ILE A 77 -8.639 -9.186 -6.464 1.00 0.64 C ATOM 935 O ILE A 77 -8.674 -9.941 -5.493 1.00 0.75 O ATOM 936 CB ILE A 77 -9.483 -7.063 -5.412 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.444 -5.879 -5.565 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.057 -6.562 -5.304 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.357 -5.184 -6.911 1.00 0.50 C ATOM 0 H ILE A 77 -11.438 -8.724 -5.799 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.418 -7.485 -7.515 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.733 -7.603 -4.499 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.465 -6.231 -5.414 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.238 -5.153 -4.779 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.975 -5.876 -4.461 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.385 -7.407 -5.152 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.784 -6.042 -6.222 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.068 -4.358 -6.941 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.348 -4.800 -7.058 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.593 -5.894 -7.703 1.00 0.50 H new ATOM 951 N LYS A 78 -7.769 -9.320 -7.455 1.00 0.74 N ATOM 952 CA LYS A 78 -6.804 -10.411 -7.490 1.00 0.90 C ATOM 953 C LYS A 78 -5.672 -10.180 -6.497 1.00 0.73 C ATOM 954 O LYS A 78 -5.079 -11.129 -5.983 1.00 0.72 O ATOM 955 CB LYS A 78 -6.231 -10.566 -8.899 1.00 1.16 C ATOM 956 CG LYS A 78 -7.003 -11.553 -9.764 1.00 1.45 C ATOM 957 CD LYS A 78 -7.557 -10.896 -11.019 1.00 1.67 C ATOM 958 CE LYS A 78 -9.070 -10.752 -10.953 1.00 1.72 C ATOM 959 NZ LYS A 78 -9.617 -10.090 -12.164 1.00 1.99 N ATOM 0 H LYS A 78 -7.711 -8.683 -8.250 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.326 -11.326 -7.209 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.225 -9.593 -9.389 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.194 -10.893 -8.827 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.349 -12.378 -10.045 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.823 -11.979 -9.185 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -7.102 -9.914 -11.147 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.285 -11.490 -11.892 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.524 -11.737 -10.841 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -9.341 -10.174 -10.070 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -10.651 -10.011 -12.080 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -9.204 -9.140 -12.257 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -9.380 -10.654 -13.005 1.00 1.99 H new ATOM 973 N ASN A 79 -5.384 -8.919 -6.222 1.00 0.67 N ATOM 974 CA ASN A 79 -4.290 -8.563 -5.330 1.00 0.56 C ATOM 975 C ASN A 79 -4.793 -7.726 -4.164 1.00 0.54 C ATOM 976 O ASN A 79 -4.760 -6.497 -4.219 1.00 0.52 O ATOM 977 CB ASN A 79 -3.215 -7.791 -6.094 1.00 0.60 C ATOM 978 CG ASN A 79 -1.907 -8.550 -6.182 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.303 -8.891 -5.167 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.463 -8.815 -7.398 1.00 1.28 N ATOM 0 H ASN A 79 -5.893 -8.122 -6.604 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.860 -9.484 -4.937 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.574 -7.574 -7.100 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -3.043 -6.833 -5.604 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -0.586 -9.322 -7.522 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.997 -8.513 -8.213 1.00 1.28 H new ATOM 987 N PRO A 80 -5.277 -8.383 -3.099 1.00 0.58 N ATOM 988 CA PRO A 80 -5.804 -7.690 -1.916 1.00 0.60 C ATOM 989 C PRO A 80 -4.708 -6.966 -1.135 1.00 0.55 C ATOM 990 O PRO A 80 -4.085 -7.536 -0.240 1.00 0.64 O ATOM 991 CB PRO A 80 -6.403 -8.821 -1.076 1.00 0.70 C ATOM 992 CG PRO A 80 -5.692 -10.054 -1.509 1.00 0.89 C ATOM 993 CD PRO A 80 -5.349 -9.852 -2.956 1.00 0.67 C ATOM 0 HA PRO A 80 -6.523 -6.916 -2.183 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.259 -8.638 -0.011 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.477 -8.908 -1.242 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -4.793 -10.214 -0.914 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.322 -10.934 -1.377 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.402 -10.326 -3.213 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.108 -10.281 -3.611 1.00 0.67 H new ATOM 1001 N MET A 81 -4.470 -5.711 -1.492 1.00 0.46 N ATOM 1002 CA MET A 81 -3.431 -4.913 -0.855 1.00 0.43 C ATOM 1003 C MET A 81 -3.978 -3.552 -0.461 1.00 0.43 C ATOM 1004 O MET A 81 -4.960 -3.075 -1.038 1.00 0.55 O ATOM 1005 CB MET A 81 -2.228 -4.747 -1.787 1.00 0.44 C ATOM 1006 CG MET A 81 -1.577 -6.066 -2.182 1.00 0.74 C ATOM 1007 SD MET A 81 -0.250 -6.561 -1.064 1.00 0.82 S ATOM 1008 CE MET A 81 -0.908 -8.104 -0.436 1.00 0.70 C ATOM 0 H MET A 81 -4.986 -5.222 -2.223 1.00 0.46 H new ATOM 0 HA MET A 81 -3.102 -5.435 0.044 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.547 -4.224 -2.689 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.485 -4.116 -1.299 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.337 -6.847 -2.204 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.179 -5.980 -3.193 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.106 -8.682 0.022 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.676 -7.896 0.309 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.343 -8.675 -1.256 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.323 -2.928 0.504 1.00 0.37 N ATOM 1019 CA ASP A 82 -3.812 -1.699 1.108 1.00 0.36 C ATOM 1020 C ASP A 82 -2.633 -0.872 1.615 1.00 0.35 C ATOM 1021 O ASP A 82 -1.808 -0.430 0.828 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.782 -2.029 2.249 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.269 -3.152 3.125 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.552 -4.324 2.808 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.610 -2.871 4.149 1.00 1.32 O ATOM 0 H ASP A 82 -2.439 -3.258 0.890 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.349 -1.113 0.362 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -4.941 -1.139 2.858 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.750 -2.308 1.832 1.00 0.38 H new ATOM 1030 N MET A 83 -2.535 -0.669 2.919 1.00 0.27 N ATOM 1031 CA MET A 83 -1.400 0.045 3.477 1.00 0.26 C ATOM 1032 C MET A 83 -0.777 -0.741 4.621 1.00 0.25 C ATOM 1033 O MET A 83 0.399 -0.565 4.938 1.00 0.26 O ATOM 1034 CB MET A 83 -1.807 1.437 3.954 1.00 0.31 C ATOM 1035 CG MET A 83 -0.657 2.424 3.970 1.00 0.43 C ATOM 1036 SD MET A 83 -1.212 4.137 3.907 1.00 0.80 S ATOM 1037 CE MET A 83 -2.224 4.226 5.380 1.00 0.38 C ATOM 0 H MET A 83 -3.221 -0.985 3.604 1.00 0.27 H new ATOM 0 HA MET A 83 -0.658 0.157 2.687 1.00 0.26 H new ATOM 0 HB2 MET A 83 -2.596 1.819 3.306 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.226 1.362 4.957 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.065 2.271 4.872 1.00 0.43 H new ATOM 0 HG3 MET A 83 -0.002 2.227 3.121 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.551 5.254 5.535 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.095 3.582 5.262 1.00 0.38 H new ATOM 0 HE3 MET A 83 -1.643 3.896 6.241 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.557 -1.632 5.218 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.057 -2.440 6.305 1.00 0.29 C ATOM 1049 C GLY A 84 -0.313 -3.639 5.776 1.00 0.26 C ATOM 1050 O GLY A 84 0.571 -4.183 6.437 1.00 0.32 O ATOM 0 H GLY A 84 -2.530 -1.808 4.966 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.396 -1.844 6.934 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.886 -2.767 6.933 1.00 0.29 H new ATOM 1054 N THR A 85 -0.675 -4.044 4.569 1.00 0.24 N ATOM 1055 CA THR A 85 0.008 -5.126 3.888 1.00 0.25 C ATOM 1056 C THR A 85 1.335 -4.646 3.323 1.00 0.26 C ATOM 1057 O THR A 85 2.358 -5.322 3.455 1.00 0.32 O ATOM 1058 CB THR A 85 -0.862 -5.681 2.748 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.755 -4.655 2.287 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.663 -6.889 3.207 1.00 0.84 C ATOM 0 H THR A 85 -1.444 -3.634 4.040 1.00 0.24 H new ATOM 0 HA THR A 85 0.193 -5.918 4.614 1.00 0.25 H new ATOM 0 HB THR A 85 -0.207 -5.997 1.936 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.677 -4.896 2.517 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.269 -7.260 2.380 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.982 -7.673 3.538 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.314 -6.602 4.033 1.00 0.84 H new ATOM 1068 N ILE A 86 1.305 -3.478 2.696 1.00 0.27 N ATOM 1069 CA ILE A 86 2.510 -2.844 2.195 1.00 0.31 C ATOM 1070 C ILE A 86 3.495 -2.610 3.333 1.00 0.29 C ATOM 1071 O ILE A 86 4.668 -2.967 3.234 1.00 0.32 O ATOM 1072 CB ILE A 86 2.173 -1.507 1.509 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.385 -1.770 0.227 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.437 -0.711 1.213 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.894 -0.514 -0.450 1.00 0.97 C ATOM 0 H ILE A 86 0.450 -2.949 2.523 1.00 0.27 H new ATOM 0 HA ILE A 86 2.967 -3.508 1.461 1.00 0.31 H new ATOM 0 HB ILE A 86 1.560 -0.912 2.186 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.014 -2.325 -0.469 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.530 -2.405 0.460 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.170 0.228 0.729 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.962 -0.502 2.145 1.00 0.36 H new ATOM 0 HG23 ILE A 86 4.084 -1.288 0.553 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.343 -0.779 -1.353 1.00 0.97 H new ATOM 0 HD12 ILE A 86 0.238 0.032 0.228 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.745 0.113 -0.715 1.00 0.97 H new ATOM 1087 N LYS A 87 3.001 -2.036 4.426 1.00 0.29 N ATOM 1088 CA LYS A 87 3.833 -1.791 5.594 1.00 0.34 C ATOM 1089 C LYS A 87 4.412 -3.101 6.137 1.00 0.34 C ATOM 1090 O LYS A 87 5.538 -3.124 6.632 1.00 0.38 O ATOM 1091 CB LYS A 87 3.034 -1.041 6.676 1.00 0.41 C ATOM 1092 CG LYS A 87 2.689 -1.870 7.905 1.00 0.49 C ATOM 1093 CD LYS A 87 2.874 -1.073 9.185 1.00 0.69 C ATOM 1094 CE LYS A 87 2.431 -1.871 10.404 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.558 -2.144 11.336 1.00 1.15 N ATOM 0 H LYS A 87 2.032 -1.734 4.525 1.00 0.29 H new ATOM 0 HA LYS A 87 4.670 -1.160 5.295 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.607 -0.170 6.992 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.109 -0.671 6.234 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.657 -2.214 7.835 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.320 -2.759 7.934 1.00 0.49 H new ATOM 0 HD2 LYS A 87 3.922 -0.792 9.293 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.301 -0.148 9.126 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.650 -1.323 10.931 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.994 -2.815 10.079 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.422 -3.074 11.782 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 4.454 -2.141 10.808 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.587 -1.409 12.071 1.00 1.15 H new ATOM 1109 N LYS A 88 3.657 -4.193 6.011 1.00 0.35 N ATOM 1110 CA LYS A 88 4.108 -5.484 6.505 1.00 0.39 C ATOM 1111 C LYS A 88 5.304 -5.986 5.693 1.00 0.41 C ATOM 1112 O LYS A 88 6.334 -6.354 6.257 1.00 0.46 O ATOM 1113 CB LYS A 88 2.953 -6.491 6.465 1.00 0.42 C ATOM 1114 CG LYS A 88 3.354 -7.927 6.770 1.00 0.73 C ATOM 1115 CD LYS A 88 4.144 -8.045 8.065 1.00 1.26 C ATOM 1116 CE LYS A 88 3.248 -7.938 9.286 1.00 1.68 C ATOM 1117 NZ LYS A 88 4.005 -7.493 10.482 1.00 2.46 N ATOM 0 H LYS A 88 2.736 -4.205 5.573 1.00 0.35 H new ATOM 0 HA LYS A 88 4.433 -5.372 7.539 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.192 -6.180 7.181 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.493 -6.458 5.477 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.459 -8.545 6.836 1.00 0.73 H new ATOM 0 HG3 LYS A 88 3.951 -8.318 5.946 1.00 0.73 H new ATOM 0 HD2 LYS A 88 4.671 -8.999 8.083 1.00 1.26 H new ATOM 0 HD3 LYS A 88 4.902 -7.262 8.101 1.00 1.26 H new ATOM 0 HE2 LYS A 88 2.440 -7.235 9.084 1.00 1.68 H new ATOM 0 HE3 LYS A 88 2.787 -8.905 9.486 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 3.470 -7.733 11.341 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 4.929 -7.970 10.505 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 4.148 -6.464 10.439 1.00 2.46 H new ATOM 1131 N ARG A 89 5.177 -5.979 4.373 1.00 0.40 N ATOM 1132 CA ARG A 89 6.259 -6.421 3.504 1.00 0.44 C ATOM 1133 C ARG A 89 7.434 -5.447 3.569 1.00 0.43 C ATOM 1134 O ARG A 89 8.584 -5.830 3.363 1.00 0.48 O ATOM 1135 CB ARG A 89 5.753 -6.551 2.069 1.00 0.47 C ATOM 1136 CG ARG A 89 5.334 -7.968 1.693 1.00 0.68 C ATOM 1137 CD ARG A 89 4.311 -7.984 0.564 1.00 0.64 C ATOM 1138 NE ARG A 89 4.902 -7.646 -0.737 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.252 -6.987 -1.698 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.980 -6.661 -1.536 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.870 -6.658 -2.830 1.00 1.03 N ATOM 0 H ARG A 89 4.337 -5.673 3.881 1.00 0.40 H new ATOM 0 HA ARG A 89 6.606 -7.396 3.846 1.00 0.44 H new ATOM 0 HB2 ARG A 89 4.904 -5.882 1.930 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.535 -6.219 1.386 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.213 -8.538 1.393 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.915 -8.466 2.568 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.855 -8.972 0.506 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.513 -7.277 0.791 1.00 0.64 H new ATOM 0 HE ARG A 89 5.865 -7.931 -0.916 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.494 -6.913 -0.675 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.485 -6.157 -2.272 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.849 -6.910 -2.968 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.365 -6.154 -3.559 1.00 1.03 H new ATOM 1155 N LEU A 90 7.127 -4.188 3.854 1.00 0.40 N ATOM 1156 CA LEU A 90 8.148 -3.151 4.002 1.00 0.41 C ATOM 1157 C LEU A 90 9.004 -3.378 5.243 1.00 0.44 C ATOM 1158 O LEU A 90 10.227 -3.470 5.152 1.00 0.49 O ATOM 1159 CB LEU A 90 7.497 -1.772 4.094 1.00 0.39 C ATOM 1160 CG LEU A 90 7.510 -0.960 2.805 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.691 0.305 2.976 1.00 0.38 C ATOM 1162 CD2 LEU A 90 8.936 -0.623 2.391 1.00 0.45 C ATOM 0 H LEU A 90 6.172 -3.856 3.989 1.00 0.40 H new ATOM 0 HA LEU A 90 8.789 -3.202 3.122 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.463 -1.897 4.415 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.005 -1.199 4.870 1.00 0.39 H new ATOM 0 HG LEU A 90 7.063 -1.562 2.014 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.708 0.877 2.048 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.662 0.042 3.222 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.114 0.906 3.781 1.00 0.38 H new ATOM 0 HD21 LEU A 90 8.920 -0.043 1.468 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.415 -0.040 3.178 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.496 -1.544 2.230 1.00 0.45 H new ATOM 1174 N GLU A 91 8.357 -3.458 6.401 1.00 0.45 N ATOM 1175 CA GLU A 91 9.069 -3.607 7.671 1.00 0.50 C ATOM 1176 C GLU A 91 9.789 -4.951 7.747 1.00 0.54 C ATOM 1177 O GLU A 91 10.796 -5.093 8.444 1.00 0.64 O ATOM 1178 CB GLU A 91 8.107 -3.449 8.859 1.00 0.53 C ATOM 1179 CG GLU A 91 7.088 -4.570 8.991 1.00 0.76 C ATOM 1180 CD GLU A 91 5.846 -4.147 9.752 1.00 0.94 C ATOM 1181 OE1 GLU A 91 5.710 -2.946 10.062 1.00 1.23 O ATOM 1182 OE2 GLU A 91 5.000 -5.018 10.053 1.00 1.39 O ATOM 0 H GLU A 91 7.341 -3.422 6.489 1.00 0.45 H new ATOM 0 HA GLU A 91 9.818 -2.817 7.724 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.690 -3.393 9.779 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.577 -2.502 8.759 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.801 -4.913 7.997 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.549 -5.417 9.499 1.00 0.76 H new ATOM 1189 N ASN A 92 9.271 -5.929 7.019 1.00 0.51 N ATOM 1190 CA ASN A 92 9.861 -7.259 6.985 1.00 0.57 C ATOM 1191 C ASN A 92 10.929 -7.347 5.903 1.00 0.60 C ATOM 1192 O ASN A 92 11.616 -8.363 5.781 1.00 0.68 O ATOM 1193 CB ASN A 92 8.776 -8.305 6.731 1.00 0.60 C ATOM 1194 CG ASN A 92 9.017 -9.595 7.484 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.545 -9.600 8.596 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.628 -10.700 6.875 1.00 1.30 N ATOM 0 H ASN A 92 8.438 -5.825 6.440 1.00 0.51 H new ATOM 0 HA ASN A 92 10.329 -7.453 7.950 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.808 -7.896 7.021 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.725 -8.517 5.663 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.761 -11.605 7.326 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.195 -10.649 5.953 1.00 1.30 H new ATOM 1203 N ASN A 93 11.066 -6.264 5.134 1.00 0.58 N ATOM 1204 CA ASN A 93 11.988 -6.205 4.002 1.00 0.62 C ATOM 1205 C ASN A 93 11.794 -7.404 3.085 1.00 0.66 C ATOM 1206 O ASN A 93 12.694 -8.228 2.903 1.00 0.77 O ATOM 1207 CB ASN A 93 13.439 -6.128 4.476 1.00 0.70 C ATOM 1208 CG ASN A 93 14.326 -5.420 3.471 1.00 0.87 C ATOM 1209 OD1 ASN A 93 13.886 -5.061 2.379 1.00 1.75 O ATOM 1210 ND2 ASN A 93 15.578 -5.205 3.831 1.00 1.22 N ATOM 0 H ASN A 93 10.539 -5.403 5.281 1.00 0.58 H new ATOM 0 HA ASN A 93 11.765 -5.298 3.440 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.482 -5.603 5.431 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.818 -7.135 4.649 1.00 0.70 H new ATOM 0 HD21 ASN A 93 16.216 -4.727 3.195 1.00 1.22 H new ATOM 0 HD22 ASN A 93 15.907 -5.517 4.745 1.00 1.22 H new ATOM 1217 N TYR A 94 10.602 -7.516 2.525 1.00 0.61 N ATOM 1218 CA TYR A 94 10.308 -8.611 1.633 1.00 0.67 C ATOM 1219 C TYR A 94 10.754 -8.292 0.210 1.00 0.70 C ATOM 1220 O TYR A 94 11.164 -9.189 -0.526 1.00 0.79 O ATOM 1221 CB TYR A 94 8.822 -8.962 1.660 1.00 0.71 C ATOM 1222 CG TYR A 94 8.485 -10.087 0.718 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.940 -11.374 0.951 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.681 -9.858 -0.383 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.600 -12.410 0.101 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.327 -10.881 -1.232 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.944 -12.158 -1.043 1.00 0.85 C ATOM 1228 OH TYR A 94 7.424 -13.183 -1.828 1.00 0.96 O ATOM 0 H TYR A 94 9.831 -6.865 2.674 1.00 0.61 H new ATOM 0 HA TYR A 94 10.868 -9.478 1.982 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.535 -9.241 2.674 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.238 -8.081 1.395 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.568 -11.571 1.807 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.324 -8.858 -0.580 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.863 -13.425 0.358 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.604 -10.725 -2.019 1.00 0.81 H new ATOM 0 HH TYR A 94 6.983 -12.801 -2.615 1.00 0.96 H new ATOM 1238 N TYR A 95 10.685 -7.023 -0.178 1.00 0.77 N ATOM 1239 CA TYR A 95 11.116 -6.635 -1.515 1.00 0.88 C ATOM 1240 C TYR A 95 12.630 -6.494 -1.564 1.00 0.75 C ATOM 1241 O TYR A 95 13.371 -7.234 -0.919 1.00 1.04 O ATOM 1242 CB TYR A 95 10.508 -5.301 -1.994 1.00 1.17 C ATOM 1243 CG TYR A 95 9.210 -4.857 -1.366 1.00 0.95 C ATOM 1244 CD1 TYR A 95 8.160 -5.756 -1.231 1.00 0.92 C ATOM 1245 CD2 TYR A 95 9.044 -3.580 -0.862 1.00 1.05 C ATOM 1246 CE1 TYR A 95 6.983 -5.393 -0.615 1.00 0.96 C ATOM 1247 CE2 TYR A 95 7.866 -3.208 -0.250 1.00 1.09 C ATOM 1248 CZ TYR A 95 6.809 -3.963 -0.296 1.00 1.04 C ATOM 1249 OH TYR A 95 5.667 -3.748 0.492 1.00 1.28 O ATOM 0 H TYR A 95 10.341 -6.258 0.403 1.00 0.77 H new ATOM 0 HA TYR A 95 10.766 -7.429 -2.175 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.247 -4.517 -1.828 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.353 -5.370 -3.071 1.00 1.17 H new ATOM 0 HD1 TYR A 95 8.269 -6.759 -1.616 1.00 0.92 H new ATOM 0 HD2 TYR A 95 9.848 -2.864 -0.949 1.00 1.05 H new ATOM 0 HE1 TYR A 95 6.222 -6.122 -0.376 1.00 0.96 H new ATOM 0 HE2 TYR A 95 7.820 -2.268 0.280 1.00 1.09 H new ATOM 0 HH TYR A 95 4.868 -3.782 -0.074 1.00 1.28 H new ATOM 1259 N TRP A 96 13.063 -5.539 -2.358 1.00 0.72 N ATOM 1260 CA TRP A 96 14.450 -5.166 -2.456 1.00 0.65 C ATOM 1261 C TRP A 96 14.553 -3.668 -2.226 1.00 0.61 C ATOM 1262 O TRP A 96 15.281 -3.196 -1.360 1.00 0.64 O ATOM 1263 CB TRP A 96 14.965 -5.528 -3.848 1.00 0.68 C ATOM 1264 CG TRP A 96 16.442 -5.397 -4.016 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.199 -4.281 -3.814 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.339 -6.418 -4.453 1.00 0.82 C ATOM 1267 NE1 TRP A 96 18.514 -4.556 -4.080 1.00 0.79 N ATOM 1268 CE2 TRP A 96 18.625 -5.856 -4.481 1.00 0.86 C ATOM 1269 CE3 TRP A 96 17.180 -7.755 -4.816 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 19.746 -6.582 -4.862 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 18.296 -8.475 -5.197 1.00 1.03 C ATOM 1272 CH2 TRP A 96 19.564 -7.886 -5.218 1.00 1.05 C ATOM 0 H TRP A 96 12.448 -4.993 -2.962 1.00 0.72 H new ATOM 0 HA TRP A 96 15.050 -5.692 -1.713 1.00 0.65 H new ATOM 0 HB2 TRP A 96 14.676 -6.555 -4.072 1.00 0.68 H new ATOM 0 HB3 TRP A 96 14.471 -4.891 -4.581 1.00 0.68 H new ATOM 0 HD1 TRP A 96 16.818 -3.323 -3.492 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.286 -3.896 -3.993 1.00 0.79 H new ATOM 0 HE3 TRP A 96 16.205 -8.218 -4.800 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 20.727 -6.130 -4.876 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 18.187 -9.511 -5.484 1.00 1.03 H new ATOM 0 HH2 TRP A 96 20.416 -8.475 -5.522 1.00 1.05 H new ATOM 1283 N SER A 97 13.780 -2.930 -2.999 1.00 0.60 N ATOM 1284 CA SER A 97 13.794 -1.490 -2.937 1.00 0.56 C ATOM 1285 C SER A 97 12.363 -0.952 -2.909 1.00 0.54 C ATOM 1286 O SER A 97 11.403 -1.721 -2.818 1.00 0.55 O ATOM 1287 CB SER A 97 14.566 -0.961 -4.140 1.00 0.58 C ATOM 1288 OG SER A 97 14.842 0.428 -4.031 1.00 1.00 O ATOM 0 H SER A 97 13.129 -3.314 -3.684 1.00 0.60 H new ATOM 0 HA SER A 97 14.286 -1.154 -2.025 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.503 -1.509 -4.238 1.00 0.58 H new ATOM 0 HB3 SER A 97 13.992 -1.146 -5.048 1.00 0.58 H new ATOM 0 HG SER A 97 14.482 0.895 -4.814 1.00 1.00 H new ATOM 1294 N ALA A 98 12.217 0.363 -2.995 1.00 0.54 N ATOM 1295 CA ALA A 98 10.902 0.983 -2.918 1.00 0.56 C ATOM 1296 C ALA A 98 10.185 0.931 -4.261 1.00 0.52 C ATOM 1297 O ALA A 98 9.020 1.311 -4.364 1.00 0.53 O ATOM 1298 CB ALA A 98 11.015 2.415 -2.429 1.00 0.66 C ATOM 0 H ALA A 98 12.989 1.018 -3.118 1.00 0.54 H new ATOM 0 HA ALA A 98 10.308 0.416 -2.201 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.022 2.862 -2.378 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.469 2.426 -1.438 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.635 2.987 -3.119 1.00 0.66 H new ATOM 1304 N SER A 99 10.878 0.456 -5.284 1.00 0.52 N ATOM 1305 CA SER A 99 10.291 0.310 -6.607 1.00 0.54 C ATOM 1306 C SER A 99 9.146 -0.700 -6.577 1.00 0.48 C ATOM 1307 O SER A 99 8.086 -0.473 -7.164 1.00 0.50 O ATOM 1308 CB SER A 99 11.369 -0.132 -7.587 1.00 0.62 C ATOM 1309 OG SER A 99 12.641 -0.117 -6.959 1.00 0.85 O ATOM 0 H SER A 99 11.853 0.163 -5.223 1.00 0.52 H new ATOM 0 HA SER A 99 9.884 1.269 -6.928 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.148 -1.135 -7.953 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.376 0.529 -8.453 1.00 0.62 H new ATOM 0 HG SER A 99 13.325 -0.405 -7.599 1.00 0.85 H new ATOM 1315 N GLU A 100 9.353 -1.800 -5.860 1.00 0.46 N ATOM 1316 CA GLU A 100 8.323 -2.818 -5.712 1.00 0.48 C ATOM 1317 C GLU A 100 7.188 -2.276 -4.846 1.00 0.44 C ATOM 1318 O GLU A 100 6.026 -2.645 -5.010 1.00 0.52 O ATOM 1319 CB GLU A 100 8.926 -4.087 -5.097 1.00 0.56 C ATOM 1320 CG GLU A 100 8.470 -5.376 -5.774 1.00 1.03 C ATOM 1321 CD GLU A 100 7.250 -6.004 -5.123 1.00 1.83 C ATOM 1322 OE1 GLU A 100 7.393 -6.628 -4.050 1.00 2.37 O ATOM 1323 OE2 GLU A 100 6.143 -5.898 -5.696 1.00 2.44 O ATOM 0 H GLU A 100 10.225 -2.008 -5.373 1.00 0.46 H new ATOM 0 HA GLU A 100 7.919 -3.074 -6.691 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.013 -4.024 -5.151 1.00 0.56 H new ATOM 0 HB3 GLU A 100 8.661 -4.129 -4.041 1.00 0.56 H new ATOM 0 HG2 GLU A 100 8.247 -5.168 -6.820 1.00 1.03 H new ATOM 0 HG3 GLU A 100 9.290 -6.094 -5.760 1.00 1.03 H new ATOM 1330 N CYS A 101 7.543 -1.359 -3.954 1.00 0.41 N ATOM 1331 CA CYS A 101 6.574 -0.699 -3.091 1.00 0.44 C ATOM 1332 C CYS A 101 5.719 0.280 -3.895 1.00 0.38 C ATOM 1333 O CYS A 101 4.551 0.510 -3.583 1.00 0.38 O ATOM 1334 CB CYS A 101 7.298 0.038 -1.963 1.00 0.57 C ATOM 1335 SG CYS A 101 6.295 0.299 -0.489 1.00 0.95 S ATOM 0 H CYS A 101 8.506 -1.054 -3.810 1.00 0.41 H new ATOM 0 HA CYS A 101 5.919 -1.456 -2.660 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.188 -0.527 -1.688 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.637 1.005 -2.335 1.00 0.57 H new ATOM 0 HG CYS A 101 5.064 0.529 -0.837 1.00 0.95 H new ATOM 1341 N MET A 102 6.309 0.848 -4.941 1.00 0.39 N ATOM 1342 CA MET A 102 5.592 1.760 -5.820 1.00 0.44 C ATOM 1343 C MET A 102 4.477 1.016 -6.542 1.00 0.36 C ATOM 1344 O MET A 102 3.367 1.529 -6.696 1.00 0.39 O ATOM 1345 CB MET A 102 6.547 2.394 -6.836 1.00 0.58 C ATOM 1346 CG MET A 102 6.151 3.803 -7.245 1.00 0.75 C ATOM 1347 SD MET A 102 7.574 4.895 -7.441 1.00 1.02 S ATOM 1348 CE MET A 102 7.848 5.396 -5.744 1.00 1.13 C ATOM 0 H MET A 102 7.283 0.692 -5.200 1.00 0.39 H new ATOM 0 HA MET A 102 5.157 2.555 -5.215 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.552 2.416 -6.414 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.589 1.765 -7.725 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.597 3.763 -8.183 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.479 4.220 -6.495 1.00 0.75 H new ATOM 0 HE1 MET A 102 8.664 6.117 -5.705 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.941 5.853 -5.349 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.106 4.523 -5.144 1.00 1.13 H new ATOM 1358 N GLN A 103 4.779 -0.209 -6.964 1.00 0.34 N ATOM 1359 CA GLN A 103 3.790 -1.063 -7.606 1.00 0.36 C ATOM 1360 C GLN A 103 2.714 -1.460 -6.607 1.00 0.30 C ATOM 1361 O GLN A 103 1.533 -1.543 -6.950 1.00 0.31 O ATOM 1362 CB GLN A 103 4.453 -2.314 -8.183 1.00 0.43 C ATOM 1363 CG GLN A 103 4.582 -2.286 -9.696 1.00 1.36 C ATOM 1364 CD GLN A 103 5.636 -1.307 -10.169 1.00 2.17 C ATOM 1365 OE1 GLN A 103 5.364 -0.120 -10.354 1.00 2.70 O ATOM 1366 NE2 GLN A 103 6.848 -1.796 -10.369 1.00 2.96 N ATOM 0 H GLN A 103 5.703 -0.631 -6.872 1.00 0.34 H new ATOM 0 HA GLN A 103 3.331 -0.505 -8.422 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.444 -2.426 -7.743 1.00 0.43 H new ATOM 0 HB3 GLN A 103 3.874 -3.190 -7.891 1.00 0.43 H new ATOM 0 HG2 GLN A 103 4.831 -3.285 -10.055 1.00 1.36 H new ATOM 0 HG3 GLN A 103 3.620 -2.020 -10.135 1.00 1.36 H new ATOM 0 HE21 GLN A 103 7.032 -2.786 -10.204 1.00 2.96 H new ATOM 0 HE22 GLN A 103 7.599 -1.184 -10.688 1.00 2.96 H new ATOM 1375 N ASP A 104 3.137 -1.693 -5.371 1.00 0.30 N ATOM 1376 CA ASP A 104 2.225 -2.024 -4.280 1.00 0.32 C ATOM 1377 C ASP A 104 1.201 -0.915 -4.086 1.00 0.29 C ATOM 1378 O ASP A 104 -0.004 -1.155 -4.136 1.00 0.31 O ATOM 1379 CB ASP A 104 3.001 -2.217 -2.979 1.00 0.48 C ATOM 1380 CG ASP A 104 3.083 -3.661 -2.539 1.00 0.88 C ATOM 1381 OD1 ASP A 104 2.704 -4.559 -3.327 1.00 1.09 O ATOM 1382 OD2 ASP A 104 3.544 -3.906 -1.404 1.00 1.87 O ATOM 0 H ASP A 104 4.119 -1.658 -5.096 1.00 0.30 H new ATOM 0 HA ASP A 104 1.711 -2.950 -4.539 1.00 0.32 H new ATOM 0 HB2 ASP A 104 4.010 -1.825 -3.105 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.527 -1.631 -2.191 1.00 0.48 H new ATOM 1387 N PHE A 105 1.698 0.302 -3.879 1.00 0.30 N ATOM 1388 CA PHE A 105 0.846 1.469 -3.680 1.00 0.33 C ATOM 1389 C PHE A 105 -0.080 1.677 -4.874 1.00 0.32 C ATOM 1390 O PHE A 105 -1.273 1.933 -4.709 1.00 0.38 O ATOM 1391 CB PHE A 105 1.705 2.716 -3.467 1.00 0.38 C ATOM 1392 CG PHE A 105 1.898 3.087 -2.021 1.00 0.32 C ATOM 1393 CD1 PHE A 105 2.960 2.572 -1.294 1.00 0.32 C ATOM 1394 CD2 PHE A 105 1.022 3.961 -1.390 1.00 0.36 C ATOM 1395 CE1 PHE A 105 3.144 2.919 0.031 1.00 0.33 C ATOM 1396 CE2 PHE A 105 1.203 4.312 -0.064 1.00 0.35 C ATOM 1397 CZ PHE A 105 2.265 3.789 0.646 1.00 0.33 C ATOM 0 H PHE A 105 2.697 0.505 -3.845 1.00 0.30 H new ATOM 0 HA PHE A 105 0.234 1.297 -2.794 1.00 0.33 H new ATOM 0 HB2 PHE A 105 2.682 2.554 -3.923 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.245 3.555 -3.988 1.00 0.38 H new ATOM 0 HD1 PHE A 105 3.652 1.892 -1.769 1.00 0.32 H new ATOM 0 HD2 PHE A 105 0.189 4.372 -1.941 1.00 0.36 H new ATOM 0 HE1 PHE A 105 3.975 2.510 0.586 1.00 0.33 H new ATOM 0 HE2 PHE A 105 0.515 4.993 0.414 1.00 0.35 H new ATOM 0 HZ PHE A 105 2.408 4.060 1.682 1.00 0.33 H new ATOM 1407 N ASN A 106 0.475 1.558 -6.078 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.314 1.688 -7.303 1.00 0.34 C ATOM 1409 C ASN A 106 -1.463 0.680 -7.303 1.00 0.32 C ATOM 1410 O ASN A 106 -2.605 1.025 -7.613 1.00 0.38 O ATOM 1411 CB ASN A 106 0.577 1.488 -8.537 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.184 0.979 -9.751 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.901 1.730 -10.416 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.033 -0.304 -10.045 1.00 0.97 N ATOM 0 H ASN A 106 1.466 1.372 -6.233 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.735 2.693 -7.341 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.057 2.434 -8.788 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.371 0.783 -8.293 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.520 -0.704 -10.847 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.570 -0.892 -9.469 1.00 0.97 H new ATOM 1421 N THR A 107 -1.156 -0.556 -6.930 1.00 0.29 N ATOM 1422 CA THR A 107 -2.154 -1.613 -6.853 1.00 0.30 C ATOM 1423 C THR A 107 -3.189 -1.312 -5.771 1.00 0.26 C ATOM 1424 O THR A 107 -4.390 -1.399 -6.012 1.00 0.27 O ATOM 1425 CB THR A 107 -1.489 -2.972 -6.570 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.490 -3.235 -7.564 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.512 -4.097 -6.561 1.00 0.39 C ATOM 0 H THR A 107 -0.214 -0.852 -6.674 1.00 0.29 H new ATOM 0 HA THR A 107 -2.660 -1.659 -7.818 1.00 0.30 H new ATOM 0 HB THR A 107 -1.027 -2.926 -5.584 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.278 -2.643 -7.421 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.010 -5.043 -6.358 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.255 -3.907 -5.786 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.005 -4.148 -7.532 1.00 0.39 H new ATOM 1435 N MET A 108 -2.709 -0.934 -4.594 1.00 0.26 N ATOM 1436 CA MET A 108 -3.576 -0.618 -3.459 1.00 0.26 C ATOM 1437 C MET A 108 -4.593 0.467 -3.821 1.00 0.24 C ATOM 1438 O MET A 108 -5.767 0.378 -3.454 1.00 0.27 O ATOM 1439 CB MET A 108 -2.721 -0.176 -2.262 1.00 0.32 C ATOM 1440 CG MET A 108 -3.299 0.988 -1.465 1.00 0.62 C ATOM 1441 SD MET A 108 -2.165 2.383 -1.349 1.00 0.88 S ATOM 1442 CE MET A 108 -2.500 2.956 0.315 1.00 0.83 C ATOM 0 H MET A 108 -1.713 -0.837 -4.396 1.00 0.26 H new ATOM 0 HA MET A 108 -4.133 -1.515 -3.191 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.588 -1.027 -1.593 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.731 0.104 -2.623 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.227 1.317 -1.932 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.551 0.646 -0.461 1.00 0.62 H new ATOM 0 HE1 MET A 108 -1.898 3.841 0.523 1.00 0.83 H new ATOM 0 HE2 MET A 108 -3.557 3.206 0.408 1.00 0.83 H new ATOM 0 HE3 MET A 108 -2.249 2.170 1.028 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.142 1.479 -4.548 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.000 2.598 -4.898 1.00 0.23 C ATOM 1454 C PHE A 109 -6.007 2.189 -5.966 1.00 0.23 C ATOM 1455 O PHE A 109 -7.199 2.469 -5.840 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.163 3.791 -5.368 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.693 4.663 -4.238 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.607 5.229 -3.362 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.342 4.914 -4.045 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.182 6.025 -2.317 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.913 5.712 -2.999 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.836 6.267 -2.136 1.00 0.22 C ATOM 0 H PHE A 109 -3.189 1.547 -4.905 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.553 2.899 -4.008 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.298 3.425 -5.921 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.753 4.391 -6.061 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.662 5.045 -3.499 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.617 4.482 -4.719 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.904 6.459 -1.641 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.859 5.900 -2.858 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.505 6.891 -1.319 1.00 0.22 H new ATOM 1472 N THR A 110 -5.534 1.496 -6.995 1.00 0.22 N ATOM 1473 CA THR A 110 -6.402 1.069 -8.082 1.00 0.26 C ATOM 1474 C THR A 110 -7.459 0.092 -7.581 1.00 0.25 C ATOM 1475 O THR A 110 -8.597 0.106 -8.048 1.00 0.27 O ATOM 1476 CB THR A 110 -5.604 0.415 -9.227 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.537 -0.380 -8.702 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.039 1.473 -10.156 1.00 0.66 C ATOM 0 H THR A 110 -4.558 1.219 -7.098 1.00 0.22 H new ATOM 0 HA THR A 110 -6.890 1.964 -8.468 1.00 0.26 H new ATOM 0 HB THR A 110 -6.283 -0.225 -9.790 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.752 0.186 -8.549 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.479 0.992 -10.958 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.855 2.056 -10.583 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.376 2.133 -9.596 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.063 -0.744 -6.622 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.965 -1.704 -5.976 1.00 0.27 C ATOM 1488 C ASN A 111 -9.285 -1.048 -5.583 1.00 0.26 C ATOM 1489 O ASN A 111 -10.365 -1.528 -5.935 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.306 -2.280 -4.718 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.415 -3.472 -5.003 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.380 -3.990 -6.118 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -5.678 -3.914 -3.993 1.00 1.61 N ATOM 0 H ASN A 111 -6.107 -0.777 -6.269 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.167 -2.500 -6.693 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.716 -1.501 -4.236 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -8.082 -2.575 -4.012 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.055 -4.710 -4.127 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -5.735 -3.458 -3.082 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.178 0.066 -4.866 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.338 0.802 -4.388 1.00 0.30 C ATOM 1502 C CYS A 112 -11.196 1.291 -5.552 1.00 0.31 C ATOM 1503 O CYS A 112 -12.425 1.255 -5.489 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.877 1.988 -3.532 1.00 0.36 C ATOM 1505 SG CYS A 112 -11.163 3.211 -3.192 1.00 0.63 S ATOM 0 H CYS A 112 -8.285 0.482 -4.601 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.948 0.133 -3.781 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.494 1.609 -2.584 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -9.047 2.483 -4.036 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.665 4.178 -2.480 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.544 1.717 -6.625 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.241 2.289 -7.769 1.00 0.36 C ATOM 1513 C TYR A 113 -11.919 1.211 -8.615 1.00 0.41 C ATOM 1514 O TYR A 113 -12.771 1.512 -9.453 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.264 3.090 -8.623 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.872 4.400 -7.985 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.750 5.474 -7.959 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.614 4.568 -7.429 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -10.385 6.679 -7.396 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -8.243 5.769 -6.860 1.00 0.65 C ATOM 1521 CZ TYR A 113 -9.170 6.798 -6.773 1.00 0.66 C ATOM 1522 OH TYR A 113 -8.766 8.022 -6.286 1.00 0.81 O ATOM 0 H TYR A 113 -9.530 1.677 -6.727 1.00 0.32 H new ATOM 0 HA TYR A 113 -12.021 2.950 -7.390 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.369 2.494 -8.799 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.714 3.285 -9.597 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.736 5.365 -8.387 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.913 3.746 -7.441 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -11.054 7.525 -7.446 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -7.239 5.907 -6.485 1.00 0.65 H new ATOM 0 HH TYR A 113 -7.882 7.934 -5.873 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.521 -0.039 -8.413 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.108 -1.159 -9.141 1.00 0.43 C ATOM 1534 C ILE A 114 -13.272 -1.760 -8.363 1.00 0.47 C ATOM 1535 O ILE A 114 -14.368 -1.932 -8.896 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.070 -2.270 -9.414 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.882 -1.721 -10.207 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.708 -3.438 -10.158 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.653 -2.603 -10.157 1.00 0.44 C ATOM 0 H ILE A 114 -10.793 -0.304 -7.750 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.463 -0.764 -10.093 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.706 -2.632 -8.452 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.181 -1.590 -11.247 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.625 -0.734 -9.822 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.958 -4.208 -10.339 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.517 -3.854 -9.557 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.106 -3.089 -11.111 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.854 -2.147 -10.742 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.327 -2.715 -9.123 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.892 -3.583 -10.570 1.00 0.44 H new ATOM 1551 N TYR A 115 -13.020 -2.079 -7.099 1.00 0.44 N ATOM 1552 CA TYR A 115 -14.007 -2.756 -6.269 1.00 0.51 C ATOM 1553 C TYR A 115 -15.160 -1.829 -5.896 1.00 0.52 C ATOM 1554 O TYR A 115 -16.311 -2.261 -5.809 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.342 -3.301 -5.001 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.222 -4.245 -4.210 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.350 -5.579 -4.579 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.922 -3.803 -3.095 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.149 -6.445 -3.858 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.725 -4.664 -2.370 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.842 -5.979 -2.760 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.633 -6.841 -2.034 1.00 1.22 O ATOM 0 H TYR A 115 -12.139 -1.879 -6.626 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.418 -3.583 -6.848 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.424 -3.820 -5.277 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -13.056 -2.465 -4.363 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.816 -5.944 -5.444 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.838 -2.771 -2.789 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.231 -7.481 -4.152 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -16.258 -4.306 -1.501 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.051 -6.355 -1.292 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.852 -0.562 -5.683 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.855 0.395 -5.227 1.00 0.41 C ATOM 1574 C ASN A 116 -16.282 1.319 -6.360 1.00 0.45 C ATOM 1575 O ASN A 116 -15.795 1.207 -7.485 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.323 1.212 -4.048 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.744 0.338 -2.951 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.471 -0.332 -2.220 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.426 0.348 -2.829 1.00 0.88 N ATOM 0 H ASN A 116 -13.920 -0.169 -5.817 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.729 -0.166 -4.896 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.556 1.900 -4.403 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -16.130 1.819 -3.637 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.976 -0.215 -2.107 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.860 0.919 -3.457 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.191 2.235 -6.057 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.735 3.142 -7.062 1.00 0.53 C ATOM 1588 C LYS A 117 -16.982 4.471 -7.062 1.00 0.52 C ATOM 1589 O LYS A 117 -16.412 4.858 -6.048 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.221 3.389 -6.789 1.00 0.65 C ATOM 1591 CG LYS A 117 -20.131 2.301 -7.334 1.00 1.20 C ATOM 1592 CD LYS A 117 -21.050 1.753 -6.256 1.00 1.82 C ATOM 1593 CE LYS A 117 -22.383 1.305 -6.836 1.00 2.62 C ATOM 1594 NZ LYS A 117 -23.487 2.229 -6.471 1.00 3.47 N ATOM 0 H LYS A 117 -17.570 2.371 -5.120 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.617 2.679 -8.042 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.375 3.474 -5.713 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.508 4.344 -7.228 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.728 2.701 -8.154 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.527 1.492 -7.745 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -20.568 0.912 -5.758 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -21.220 2.518 -5.498 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.304 1.245 -7.922 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -22.616 0.302 -6.477 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -24.377 1.887 -6.886 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -23.580 2.267 -5.436 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -23.278 3.180 -6.835 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.980 5.193 -8.198 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.339 6.519 -8.300 1.00 0.68 C ATOM 1610 C PRO A 118 -16.965 7.544 -7.349 1.00 0.70 C ATOM 1611 O PRO A 118 -16.382 8.591 -7.064 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.596 6.928 -9.755 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.901 5.663 -10.477 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.580 4.775 -9.478 1.00 0.68 C ATOM 0 HA PRO A 118 -15.284 6.480 -8.029 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -17.427 7.629 -9.824 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.725 7.424 -10.183 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.545 5.849 -11.336 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -15.990 5.200 -10.856 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.661 4.916 -9.482 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.396 3.721 -9.685 1.00 0.68 H new ATOM 1622 N THR A 119 -18.160 7.236 -6.876 1.00 0.67 N ATOM 1623 CA THR A 119 -18.880 8.100 -5.952 1.00 0.77 C ATOM 1624 C THR A 119 -18.669 7.668 -4.500 1.00 0.69 C ATOM 1625 O THR A 119 -19.198 8.287 -3.570 1.00 0.78 O ATOM 1626 CB THR A 119 -20.384 8.067 -6.266 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.641 7.071 -7.269 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.866 9.422 -6.755 1.00 1.23 C ATOM 0 H THR A 119 -18.660 6.381 -7.120 1.00 0.67 H new ATOM 0 HA THR A 119 -18.490 9.110 -6.076 1.00 0.77 H new ATOM 0 HB THR A 119 -20.925 7.820 -5.352 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.600 7.048 -7.469 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.933 9.372 -6.970 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.686 10.172 -5.985 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.325 9.695 -7.661 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.882 6.614 -4.313 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.707 6.012 -3.000 1.00 0.59 C ATOM 1638 C ASP A 120 -16.885 6.897 -2.081 1.00 0.47 C ATOM 1639 O ASP A 120 -16.080 7.716 -2.528 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.040 4.641 -3.112 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.576 3.662 -2.091 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.274 3.834 -0.890 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.290 2.714 -2.488 1.00 1.19 O ATOM 0 H ASP A 120 -17.354 6.159 -5.058 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.702 5.896 -2.571 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.198 4.242 -4.114 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -15.964 4.750 -2.979 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.082 6.694 -0.790 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.388 7.464 0.230 1.00 0.51 C ATOM 1650 C ASP A 121 -14.918 7.092 0.246 1.00 0.39 C ATOM 1651 O ASP A 121 -14.047 7.955 0.347 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.999 7.197 1.604 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.097 8.176 1.956 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.155 9.261 1.343 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.912 7.858 2.849 1.00 1.44 O ATOM 0 H ASP A 121 -17.725 5.994 -0.419 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.491 8.524 -0.003 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.400 6.184 1.628 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.216 7.248 2.361 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.652 5.795 0.120 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.286 5.288 0.128 1.00 0.27 C ATOM 1662 C ILE A 122 -12.531 5.752 -1.121 1.00 0.25 C ATOM 1663 O ILE A 122 -11.311 5.917 -1.098 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.259 3.741 0.227 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.820 3.221 0.254 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.033 3.111 -0.920 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.195 3.242 1.629 1.00 0.42 C ATOM 0 H ILE A 122 -15.367 5.076 0.011 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.789 5.692 1.010 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.742 3.457 1.162 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.804 2.200 -0.128 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.212 3.823 -0.421 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.000 2.025 -0.829 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.070 3.446 -0.887 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.585 3.409 -1.868 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.176 2.860 1.571 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.178 4.265 2.005 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.779 2.617 2.304 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.265 5.981 -2.203 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.669 6.498 -3.426 1.00 0.25 C ATOM 1681 C VAL A 123 -12.257 7.951 -3.225 1.00 0.24 C ATOM 1682 O VAL A 123 -11.145 8.350 -3.576 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.642 6.378 -4.624 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.533 7.583 -5.551 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.376 5.088 -5.387 1.00 0.32 C ATOM 0 H VAL A 123 -14.270 5.817 -2.258 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.787 5.899 -3.654 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.659 6.354 -4.234 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.229 7.467 -6.382 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.775 8.491 -4.998 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.516 7.654 -5.937 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.066 5.014 -6.228 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.351 5.089 -5.758 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.520 4.236 -4.723 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.156 8.727 -2.629 1.00 0.27 N ATOM 1696 CA LEU A 124 -12.883 10.125 -2.328 1.00 0.31 C ATOM 1697 C LEU A 124 -11.677 10.226 -1.407 1.00 0.29 C ATOM 1698 O LEU A 124 -10.890 11.170 -1.486 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.102 10.776 -1.673 1.00 0.37 C ATOM 1700 CG LEU A 124 -14.956 11.634 -2.609 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.434 11.340 -2.407 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.666 13.109 -2.381 1.00 0.49 C ATOM 0 H LEU A 124 -14.082 8.409 -2.345 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.668 10.651 -3.258 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.730 9.993 -1.248 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -13.762 11.397 -0.844 1.00 0.37 H new ATOM 0 HG LEU A 124 -14.699 11.385 -3.639 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.024 11.960 -3.082 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.628 10.288 -2.618 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.711 11.560 -1.376 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.280 13.709 -3.053 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.897 13.370 -1.348 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.612 13.307 -2.578 1.00 0.49 H new ATOM 1714 N MET A 125 -11.535 9.231 -0.542 1.00 0.25 N ATOM 1715 CA MET A 125 -10.402 9.162 0.357 1.00 0.26 C ATOM 1716 C MET A 125 -9.130 8.825 -0.412 1.00 0.24 C ATOM 1717 O MET A 125 -8.102 9.469 -0.229 1.00 0.25 O ATOM 1718 CB MET A 125 -10.646 8.121 1.452 1.00 0.35 C ATOM 1719 CG MET A 125 -11.682 8.545 2.478 1.00 0.62 C ATOM 1720 SD MET A 125 -12.440 7.145 3.325 1.00 0.54 S ATOM 1721 CE MET A 125 -13.370 8.002 4.592 1.00 0.62 C ATOM 0 H MET A 125 -12.196 8.460 -0.447 1.00 0.25 H new ATOM 0 HA MET A 125 -10.279 10.138 0.826 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.967 7.188 0.989 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.705 7.916 1.962 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.212 9.198 3.214 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.459 9.129 1.984 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.901 7.276 5.208 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.688 8.578 5.217 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.088 8.675 4.124 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.217 7.824 -1.283 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.072 7.381 -2.072 1.00 0.27 C ATOM 1733 C ALA A 126 -7.480 8.525 -2.888 1.00 0.25 C ATOM 1734 O ALA A 126 -6.263 8.654 -2.991 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.474 6.235 -2.986 1.00 0.31 C ATOM 0 H ALA A 126 -10.075 7.301 -1.461 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.305 7.033 -1.380 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.611 5.914 -3.569 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.837 5.401 -2.386 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.264 6.567 -3.660 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.346 9.358 -3.455 1.00 0.27 N ATOM 1742 CA GLN A 127 -7.907 10.499 -4.250 1.00 0.30 C ATOM 1743 C GLN A 127 -7.079 11.472 -3.411 1.00 0.28 C ATOM 1744 O GLN A 127 -6.026 11.942 -3.846 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.114 11.222 -4.850 1.00 0.38 C ATOM 1746 CG GLN A 127 -8.989 11.480 -6.344 1.00 0.86 C ATOM 1747 CD GLN A 127 -10.129 10.874 -7.145 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -9.906 10.148 -8.110 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -11.357 11.177 -6.755 1.00 1.62 N ATOM 0 H GLN A 127 -9.359 9.264 -3.378 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.277 10.123 -5.056 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.010 10.630 -4.666 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.250 12.173 -4.336 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -8.958 12.555 -6.521 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -8.043 11.071 -6.701 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.501 11.784 -5.948 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.160 10.804 -7.262 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.555 11.764 -2.206 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.845 12.661 -1.303 1.00 0.28 C ATOM 1760 C ALA A 128 -5.576 11.997 -0.776 1.00 0.24 C ATOM 1761 O ALA A 128 -4.544 12.644 -0.608 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.749 13.075 -0.151 1.00 0.32 C ATOM 0 H ALA A 128 -8.429 11.393 -1.832 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.558 13.555 -1.857 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.206 13.745 0.515 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.627 13.588 -0.544 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.063 12.189 0.402 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.669 10.700 -0.533 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.549 9.912 -0.035 1.00 0.17 C ATOM 1770 C LEU A 129 -3.416 9.875 -1.062 1.00 0.17 C ATOM 1771 O LEU A 129 -2.244 10.047 -0.726 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.026 8.487 0.267 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.516 8.209 1.698 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.135 9.447 2.323 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.517 7.064 1.689 1.00 0.33 C ATOM 0 H LEU A 129 -6.523 10.161 -0.675 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.170 10.374 0.877 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.836 8.246 -0.422 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.207 7.801 0.049 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.654 7.929 2.303 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.471 9.215 3.334 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.393 10.245 2.361 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -6.986 9.771 1.723 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.860 6.872 2.706 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.369 7.330 1.063 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -6.041 6.168 1.292 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.785 9.666 -2.321 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.819 9.571 -3.411 1.00 0.22 C ATOM 1789 C GLU A 130 -2.039 10.872 -3.577 1.00 0.20 C ATOM 1790 O GLU A 130 -0.901 10.868 -4.054 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.535 9.228 -4.717 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.777 8.249 -5.596 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.465 8.020 -6.925 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -3.907 9.002 -7.553 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.562 6.849 -7.351 1.00 1.47 O ATOM 0 H GLU A 130 -4.756 9.558 -2.614 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.112 8.779 -3.164 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.514 8.809 -4.484 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.707 10.147 -5.278 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -1.769 8.626 -5.771 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.675 7.298 -5.073 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.645 11.975 -3.162 1.00 0.24 N ATOM 1803 CA LYS A 131 -2.021 13.281 -3.277 1.00 0.28 C ATOM 1804 C LYS A 131 -0.770 13.339 -2.412 1.00 0.25 C ATOM 1805 O LYS A 131 0.270 13.835 -2.842 1.00 0.28 O ATOM 1806 CB LYS A 131 -3.020 14.377 -2.879 1.00 0.37 C ATOM 1807 CG LYS A 131 -2.390 15.590 -2.208 1.00 0.80 C ATOM 1808 CD LYS A 131 -3.424 16.659 -1.897 1.00 1.18 C ATOM 1809 CE LYS A 131 -4.449 16.175 -0.882 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.287 17.288 -0.366 1.00 2.24 N ATOM 0 H LYS A 131 -3.574 11.989 -2.740 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.726 13.450 -4.313 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.553 14.707 -3.771 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -3.761 13.948 -2.205 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -1.897 15.281 -1.286 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -1.620 16.006 -2.857 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -2.924 17.548 -1.513 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -3.932 16.951 -2.816 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.089 15.423 -1.343 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -3.936 15.691 -0.051 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -5.972 16.916 0.322 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -4.680 17.994 0.097 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -5.797 17.734 -1.155 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.869 12.795 -1.205 1.00 0.28 N ATOM 1825 CA ILE A 132 0.258 12.797 -0.285 1.00 0.33 C ATOM 1826 C ILE A 132 1.268 11.728 -0.677 1.00 0.26 C ATOM 1827 O ILE A 132 2.452 11.827 -0.344 1.00 0.29 O ATOM 1828 CB ILE A 132 -0.163 12.579 1.182 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.683 12.676 1.347 1.00 0.46 C ATOM 1830 CG2 ILE A 132 0.532 13.595 2.075 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -2.157 12.294 2.727 1.00 0.59 C ATOM 0 H ILE A 132 -1.713 12.350 -0.844 1.00 0.28 H new ATOM 0 HA ILE A 132 0.708 13.787 -0.357 1.00 0.33 H new ATOM 0 HB ILE A 132 0.139 11.574 1.477 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -2.001 13.696 1.130 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -2.164 12.029 0.613 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.230 13.436 3.110 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.612 13.476 1.989 1.00 1.23 H new ATOM 0 HG23 ILE A 132 0.252 14.602 1.766 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -3.242 12.384 2.777 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.868 11.264 2.939 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.703 12.957 3.464 1.00 0.59 H new ATOM 1843 N PHE A 133 0.796 10.713 -1.391 1.00 0.25 N ATOM 1844 CA PHE A 133 1.666 9.657 -1.890 1.00 0.28 C ATOM 1845 C PHE A 133 2.699 10.237 -2.852 1.00 0.26 C ATOM 1846 O PHE A 133 3.899 10.208 -2.574 1.00 0.28 O ATOM 1847 CB PHE A 133 0.841 8.572 -2.590 1.00 0.34 C ATOM 1848 CG PHE A 133 1.681 7.548 -3.294 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.638 6.824 -2.602 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.503 7.299 -4.644 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.400 5.869 -3.244 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.262 6.347 -5.291 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.259 5.679 -4.601 1.00 0.44 C ATOM 0 H PHE A 133 -0.187 10.600 -1.637 1.00 0.25 H new ATOM 0 HA PHE A 133 2.187 9.206 -1.045 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.212 8.072 -1.853 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.173 9.042 -3.312 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.789 7.009 -1.549 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.761 7.857 -5.197 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.105 5.272 -2.684 1.00 0.39 H new ATOM 0 HE2 PHE A 133 2.079 6.123 -6.332 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.925 5.010 -5.126 1.00 0.44 H new ATOM 1863 N LEU A 134 2.228 10.809 -3.957 1.00 0.27 N ATOM 1864 CA LEU A 134 3.123 11.374 -4.962 1.00 0.34 C ATOM 1865 C LEU A 134 3.883 12.563 -4.382 1.00 0.34 C ATOM 1866 O LEU A 134 5.001 12.868 -4.798 1.00 0.43 O ATOM 1867 CB LEU A 134 2.338 11.787 -6.217 1.00 0.42 C ATOM 1868 CG LEU A 134 1.507 13.068 -6.092 1.00 0.47 C ATOM 1869 CD1 LEU A 134 2.120 14.189 -6.921 1.00 0.64 C ATOM 1870 CD2 LEU A 134 0.071 12.815 -6.521 1.00 0.59 C ATOM 0 H LEU A 134 1.236 10.893 -4.178 1.00 0.27 H new ATOM 0 HA LEU A 134 3.845 10.611 -5.253 1.00 0.34 H new ATOM 0 HB2 LEU A 134 3.043 11.913 -7.039 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.671 10.969 -6.491 1.00 0.42 H new ATOM 0 HG LEU A 134 1.507 13.375 -5.046 1.00 0.47 H new ATOM 0 HD11 LEU A 134 1.515 15.090 -6.819 1.00 0.64 H new ATOM 0 HD12 LEU A 134 3.132 14.390 -6.570 1.00 0.64 H new ATOM 0 HD13 LEU A 134 2.152 13.891 -7.969 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.505 13.736 -6.426 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.055 12.482 -7.559 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.368 12.045 -5.886 1.00 0.59 H new ATOM 1882 N GLN A 135 3.273 13.199 -3.391 1.00 0.29 N ATOM 1883 CA GLN A 135 3.855 14.344 -2.710 1.00 0.35 C ATOM 1884 C GLN A 135 5.184 13.994 -2.051 1.00 0.36 C ATOM 1885 O GLN A 135 6.073 14.832 -1.950 1.00 0.55 O ATOM 1886 CB GLN A 135 2.884 14.841 -1.651 1.00 0.37 C ATOM 1887 CG GLN A 135 2.510 16.301 -1.795 1.00 0.51 C ATOM 1888 CD GLN A 135 2.368 16.988 -0.452 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.161 16.754 0.461 1.00 1.43 O ATOM 1890 NE2 GLN A 135 1.358 17.832 -0.319 1.00 1.61 N ATOM 0 H GLN A 135 2.355 12.932 -3.036 1.00 0.29 H new ATOM 0 HA GLN A 135 4.043 15.120 -3.452 1.00 0.35 H new ATOM 0 HB2 GLN A 135 1.977 14.238 -1.693 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.325 14.685 -0.666 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.270 16.813 -2.385 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.572 16.382 -2.344 1.00 0.51 H new ATOM 0 HE21 GLN A 135 0.725 17.997 -1.101 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.213 18.318 0.566 1.00 1.61 H new ATOM 1899 N LYS A 136 5.303 12.765 -1.571 1.00 0.25 N ATOM 1900 CA LYS A 136 6.523 12.320 -0.915 1.00 0.26 C ATOM 1901 C LYS A 136 7.401 11.542 -1.887 1.00 0.23 C ATOM 1902 O LYS A 136 8.620 11.484 -1.736 1.00 0.25 O ATOM 1903 CB LYS A 136 6.182 11.464 0.305 1.00 0.32 C ATOM 1904 CG LYS A 136 6.159 12.251 1.605 1.00 0.54 C ATOM 1905 CD LYS A 136 5.013 13.251 1.639 1.00 0.50 C ATOM 1906 CE LYS A 136 5.461 14.599 2.181 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.623 15.615 1.103 1.00 1.52 N ATOM 0 H LYS A 136 4.569 12.058 -1.624 1.00 0.25 H new ATOM 0 HA LYS A 136 7.079 13.196 -0.582 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.208 10.999 0.153 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.911 10.658 0.389 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.066 11.563 2.445 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.105 12.778 1.728 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.611 13.378 0.634 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.206 12.859 2.258 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.732 14.957 2.908 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.406 14.480 2.710 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.537 16.099 1.216 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.593 15.145 0.176 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.853 16.311 1.164 1.00 1.52 H new ATOM 1921 N VAL A 137 6.773 10.962 -2.898 1.00 0.23 N ATOM 1922 CA VAL A 137 7.484 10.201 -3.914 1.00 0.25 C ATOM 1923 C VAL A 137 8.323 11.129 -4.793 1.00 0.30 C ATOM 1924 O VAL A 137 9.403 10.761 -5.262 1.00 0.33 O ATOM 1925 CB VAL A 137 6.498 9.402 -4.791 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.197 8.798 -5.996 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.825 8.318 -3.971 1.00 0.33 C ATOM 0 H VAL A 137 5.763 11.005 -3.037 1.00 0.23 H new ATOM 0 HA VAL A 137 8.146 9.501 -3.405 1.00 0.25 H new ATOM 0 HB VAL A 137 5.737 10.092 -5.157 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.475 8.241 -6.594 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.632 9.594 -6.601 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.986 8.125 -5.660 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.132 7.762 -4.602 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.580 7.639 -3.576 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.278 8.773 -3.145 1.00 0.33 H new ATOM 1937 N ALA A 138 7.833 12.344 -4.993 1.00 0.34 N ATOM 1938 CA ALA A 138 8.559 13.338 -5.767 1.00 0.43 C ATOM 1939 C ALA A 138 9.811 13.785 -5.021 1.00 0.43 C ATOM 1940 O ALA A 138 10.729 14.360 -5.606 1.00 0.50 O ATOM 1941 CB ALA A 138 7.664 14.532 -6.073 1.00 0.50 C ATOM 0 H ALA A 138 6.935 12.664 -4.630 1.00 0.34 H new ATOM 0 HA ALA A 138 8.864 12.886 -6.711 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.223 15.267 -6.653 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.798 14.200 -6.646 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.330 14.985 -5.140 1.00 0.50 H new ATOM 1947 N GLN A 139 9.843 13.499 -3.726 1.00 0.39 N ATOM 1948 CA GLN A 139 10.967 13.875 -2.884 1.00 0.43 C ATOM 1949 C GLN A 139 11.883 12.679 -2.664 1.00 0.40 C ATOM 1950 O GLN A 139 12.892 12.768 -1.961 1.00 0.45 O ATOM 1951 CB GLN A 139 10.475 14.413 -1.540 1.00 0.45 C ATOM 1952 CG GLN A 139 9.170 15.183 -1.639 1.00 0.54 C ATOM 1953 CD GLN A 139 9.007 16.202 -0.531 1.00 1.08 C ATOM 1954 OE1 GLN A 139 8.323 15.950 0.461 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.629 17.359 -0.693 1.00 1.56 N ATOM 0 H GLN A 139 9.098 13.005 -3.235 1.00 0.39 H new ATOM 0 HA GLN A 139 11.527 14.662 -3.389 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.345 13.580 -0.849 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.240 15.063 -1.115 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.124 15.690 -2.603 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.336 14.482 -1.608 1.00 0.54 H new ATOM 0 HE21 GLN A 139 10.186 17.526 -1.531 1.00 1.56 H new ATOM 0 HE22 GLN A 139 9.552 18.084 0.020 1.00 1.56 H new ATOM 1964 N MET A 140 11.509 11.551 -3.256 1.00 0.35 N ATOM 1965 CA MET A 140 12.315 10.342 -3.193 1.00 0.35 C ATOM 1966 C MET A 140 13.566 10.498 -4.051 1.00 0.40 C ATOM 1967 O MET A 140 13.616 11.368 -4.922 1.00 0.48 O ATOM 1968 CB MET A 140 11.504 9.145 -3.695 1.00 0.38 C ATOM 1969 CG MET A 140 10.748 8.413 -2.606 1.00 0.66 C ATOM 1970 SD MET A 140 11.369 6.747 -2.331 1.00 0.86 S ATOM 1971 CE MET A 140 10.246 5.820 -3.365 1.00 0.67 C ATOM 0 H MET A 140 10.645 11.450 -3.789 1.00 0.35 H new ATOM 0 HA MET A 140 12.608 10.174 -2.157 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.794 9.490 -4.447 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.177 8.445 -4.189 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.816 8.980 -1.678 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.692 8.364 -2.872 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.927 4.920 -2.840 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.375 6.433 -3.597 1.00 0.67 H new ATOM 0 HE3 MET A 140 10.750 5.540 -4.290 1.00 0.67 H new ATOM 1981 N PRO A 141 14.595 9.668 -3.821 1.00 0.42 N ATOM 1982 CA PRO A 141 15.770 9.648 -4.682 1.00 0.52 C ATOM 1983 C PRO A 141 15.437 8.954 -5.990 1.00 0.61 C ATOM 1984 O PRO A 141 15.266 7.735 -6.026 1.00 0.67 O ATOM 1985 CB PRO A 141 16.789 8.842 -3.875 1.00 0.55 C ATOM 1986 CG PRO A 141 15.971 7.935 -3.028 1.00 0.53 C ATOM 1987 CD PRO A 141 14.693 8.680 -2.726 1.00 0.46 C ATOM 0 HA PRO A 141 16.138 10.640 -4.944 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.455 8.279 -4.529 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.416 9.494 -3.266 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.763 7.000 -3.547 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.499 7.679 -2.109 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.833 8.010 -2.713 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.734 9.166 -1.751 1.00 0.46 H new ATOM 1995 N GLN A 142 15.333 9.723 -7.062 1.00 0.76 N ATOM 1996 CA GLN A 142 14.846 9.196 -8.328 1.00 0.94 C ATOM 1997 C GLN A 142 15.870 8.281 -8.995 1.00 0.93 C ATOM 1998 O GLN A 142 15.643 7.777 -10.096 1.00 1.17 O ATOM 1999 CB GLN A 142 14.442 10.336 -9.260 1.00 1.21 C ATOM 2000 CG GLN A 142 12.934 10.511 -9.374 1.00 1.60 C ATOM 2001 CD GLN A 142 12.304 11.027 -8.092 1.00 2.34 C ATOM 2002 OE1 GLN A 142 12.290 12.230 -7.836 1.00 2.87 O ATOM 2003 NE2 GLN A 142 11.768 10.122 -7.285 1.00 2.91 N ATOM 0 H GLN A 142 15.579 10.713 -7.082 1.00 0.76 H new ATOM 0 HA GLN A 142 13.965 8.590 -8.117 1.00 0.94 H new ATOM 0 HB2 GLN A 142 14.883 11.265 -8.899 1.00 1.21 H new ATOM 0 HB3 GLN A 142 14.856 10.150 -10.251 1.00 1.21 H new ATOM 0 HG2 GLN A 142 12.713 11.203 -10.186 1.00 1.60 H new ATOM 0 HG3 GLN A 142 12.481 9.555 -9.638 1.00 1.60 H new ATOM 0 HE21 GLN A 142 11.801 9.133 -7.534 1.00 2.91 H new ATOM 0 HE22 GLN A 142 11.323 10.414 -6.415 1.00 2.91 H new ATOM 2012 N GLU A 143 16.995 8.063 -8.329 1.00 0.80 N ATOM 2013 CA GLU A 143 17.953 7.083 -8.783 1.00 0.91 C ATOM 2014 C GLU A 143 17.776 5.813 -7.963 1.00 0.87 C ATOM 2015 O GLU A 143 16.751 5.136 -8.073 1.00 1.20 O ATOM 2016 CB GLU A 143 19.378 7.621 -8.647 1.00 1.04 C ATOM 2017 CG GLU A 143 19.619 8.909 -9.412 1.00 1.22 C ATOM 2018 CD GLU A 143 21.069 9.088 -9.806 1.00 1.94 C ATOM 2019 OE1 GLU A 143 21.453 8.623 -10.896 1.00 2.70 O ATOM 2020 OE2 GLU A 143 21.832 9.694 -9.028 1.00 2.30 O ATOM 0 H GLU A 143 17.260 8.554 -7.475 1.00 0.80 H new ATOM 0 HA GLU A 143 17.783 6.863 -9.837 1.00 0.91 H new ATOM 0 HB2 GLU A 143 19.594 7.789 -7.592 1.00 1.04 H new ATOM 0 HB3 GLU A 143 20.078 6.863 -8.999 1.00 1.04 H new ATOM 0 HG2 GLU A 143 18.999 8.916 -10.308 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.305 9.755 -8.800 1.00 1.22 H new ATOM 2027 N GLU A 144 18.768 5.517 -7.136 1.00 0.77 N ATOM 2028 CA GLU A 144 18.707 4.428 -6.177 1.00 0.77 C ATOM 2029 C GLU A 144 20.029 4.361 -5.436 1.00 0.82 C ATOM 2030 O GLU A 144 21.094 4.415 -6.047 1.00 1.16 O ATOM 2031 CB GLU A 144 18.422 3.083 -6.856 1.00 0.82 C ATOM 2032 CG GLU A 144 17.793 2.060 -5.923 1.00 1.04 C ATOM 2033 CD GLU A 144 17.185 0.886 -6.661 1.00 1.58 C ATOM 2034 OE1 GLU A 144 17.920 0.205 -7.407 1.00 1.87 O ATOM 2035 OE2 GLU A 144 15.972 0.640 -6.504 1.00 2.34 O ATOM 0 H GLU A 144 19.647 6.033 -7.113 1.00 0.77 H new ATOM 0 HA GLU A 144 17.888 4.621 -5.485 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.759 3.246 -7.706 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.354 2.679 -7.252 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.550 1.694 -5.229 1.00 1.04 H new ATOM 0 HG3 GLU A 144 17.022 2.546 -5.326 1.00 1.04 H new ATOM 2042 N VAL A 145 19.964 4.287 -4.123 1.00 0.63 N ATOM 2043 CA VAL A 145 21.162 4.200 -3.313 1.00 0.68 C ATOM 2044 C VAL A 145 21.043 3.036 -2.347 1.00 0.61 C ATOM 2045 O VAL A 145 20.449 3.170 -1.280 1.00 0.61 O ATOM 2046 CB VAL A 145 21.424 5.497 -2.511 1.00 0.78 C ATOM 2047 CG1 VAL A 145 22.875 5.561 -2.061 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.062 6.734 -3.325 1.00 0.88 C ATOM 0 H VAL A 145 19.093 4.285 -3.593 1.00 0.63 H new ATOM 0 HA VAL A 145 22.001 4.050 -3.992 1.00 0.68 H new ATOM 0 HB VAL A 145 20.785 5.479 -1.628 1.00 0.78 H new ATOM 0 HG11 VAL A 145 23.041 6.480 -1.498 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.098 4.702 -1.428 1.00 0.99 H new ATOM 0 HG13 VAL A 145 23.528 5.547 -2.934 1.00 0.99 H new ATOM 0 HG21 VAL A 145 21.257 7.629 -2.734 1.00 0.88 H new ATOM 0 HG22 VAL A 145 21.664 6.761 -4.233 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.005 6.698 -3.591 1.00 0.88 H new ATOM 2058 N GLU A 146 21.560 1.887 -2.738 1.00 0.66 N ATOM 2059 CA GLU A 146 21.546 0.724 -1.871 1.00 0.68 C ATOM 2060 C GLU A 146 22.465 0.947 -0.681 1.00 0.72 C ATOM 2061 O GLU A 146 23.490 1.620 -0.797 1.00 0.75 O ATOM 2062 CB GLU A 146 21.971 -0.518 -2.637 1.00 0.79 C ATOM 2063 CG GLU A 146 21.151 -1.741 -2.284 1.00 1.00 C ATOM 2064 CD GLU A 146 21.693 -2.997 -2.915 1.00 1.10 C ATOM 2065 OE1 GLU A 146 22.743 -3.489 -2.463 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.069 -3.496 -3.872 1.00 1.24 O ATOM 0 H GLU A 146 21.994 1.734 -3.648 1.00 0.66 H new ATOM 0 HA GLU A 146 20.529 0.575 -1.508 1.00 0.68 H new ATOM 0 HB2 GLU A 146 21.884 -0.326 -3.706 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.022 -0.721 -2.434 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.131 -1.861 -1.201 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.121 -1.590 -2.607 1.00 1.00 H new ATOM 2073 N LEU A 147 22.094 0.400 0.459 1.00 0.76 N ATOM 2074 CA LEU A 147 22.878 0.574 1.661 1.00 0.86 C ATOM 2075 C LEU A 147 23.676 -0.688 1.953 1.00 1.01 C ATOM 2076 O LEU A 147 23.062 -1.771 2.047 1.00 1.57 O ATOM 2077 CB LEU A 147 21.974 0.916 2.846 1.00 0.86 C ATOM 2078 CG LEU A 147 21.005 2.078 2.612 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.809 1.970 3.545 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.711 3.412 2.804 1.00 0.82 C ATOM 2081 OXT LEU A 147 24.916 -0.599 2.068 1.00 1.46 O ATOM 0 H LEU A 147 21.255 -0.168 0.577 1.00 0.76 H new ATOM 0 HA LEU A 147 23.571 1.401 1.507 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.397 0.030 3.110 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.602 1.155 3.705 1.00 0.86 H new ATOM 0 HG LEU A 147 20.647 2.024 1.584 1.00 0.76 H new ATOM 0 HD11 LEU A 147 19.131 2.804 3.365 1.00 0.80 H new ATOM 0 HD12 LEU A 147 19.287 1.031 3.360 1.00 0.80 H new ATOM 0 HD13 LEU A 147 20.151 1.997 4.580 1.00 0.80 H new ATOM 0 HD21 LEU A 147 21.005 4.225 2.633 1.00 0.82 H new ATOM 0 HD22 LEU A 147 22.099 3.475 3.821 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.536 3.493 2.096 1.00 0.82 H new