USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 180:sc= -0.0169 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 105 CYS SG : rot 67:sc= 0.128 USER MOD Set 2.1: A 43 GLN : amide:sc= 1.08 K(o=1.9,f=-3.1!) USER MOD Set 2.2: A 86 HIS : no HD1:sc= 0.818 K(o=1.9,f=-13!) USER MOD Set 3.1: A 40 ASN : amide:sc=-0.00748 K(o=0.014,f=-3.7!) USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0.0214 USER MOD Set 4.1: A 11 LYS NZ :NH3+ -155:sc= 0.883 (180deg=0) USER MOD Set 4.2: A 14 GLN : amide:sc= 0.765 K(o=1.6,f=-3.1) USER MOD Set 5.1: A 12 CYS SG : rot -61:sc= -3.24! USER MOD Set 5.2: A 50 CYS SG : rot -79:sc= -2.89! USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0168 (180deg=-0.289) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.22) USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= 0.459 (180deg=-1.32) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -83:sc= -2.28! USER MOD Single : A 21 ASN : amide:sc= 1.14 K(o=1.1,f=-0.017) USER MOD Single : A 22 SER OG : rot 23:sc= 0.795 USER MOD Single : A 26 SER OG : rot 180:sc= -0.548 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -155:sc= 1.02 USER MOD Single : A 36 TYR OH : rot -88:sc= 0.00328 USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 1.26 (180deg=1.23) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 44 GLN : amide:sc= 1.15 K(o=1.1,f=-0.048) USER MOD Single : A 45 THR OG1 : rot 41:sc= 0.0784 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0.927) USER MOD Single : A 51 TYR OH : rot 169:sc= -2.4! USER MOD Single : A 54 LYS NZ :NH3+ -169:sc=-0.00124 (180deg=-0.0877) USER MOD Single : A 59 SER OG : rot -38:sc= 0.297 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 43:sc= 0.115 USER MOD Single : A 65 CYS SG : rot 63:sc= -0.422! USER MOD Single : A 72 MET CE :methyl -161:sc= -0.0896 (180deg=-0.519) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 36:sc= 0.467 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.202 USER MOD Single : A 78 SER OG : rot -103:sc= 0.846 USER MOD Single : A 80 SER OG : rot 102:sc= 0.0801 USER MOD Single : A 83 SER OG : rot -180:sc= -0.321 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 170:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00426 USER MOD Single : A 94 GLN : amide:sc= -2.43! K(o=-2.4!,f=-1.9) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= -0.265 (180deg=-1.05) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 104 TYR OH : rot 176:sc= 0.481 USER MOD Single : A 106 THR OG1 : rot -131:sc= 1.36 USER MOD Single : A 108 LYS NZ :NH3+ -163:sc= -0.0986 (180deg=-0.4) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.24) USER MOD Single : A 112 GLN : amide:sc= -5.85! K(o=-5.8!,f=-1.1) USER MOD Single : A 114 SER OG : rot -150:sc= 0.952 USER MOD Single : A 115 GLN : amide:sc= -0.853 K(o=-0.85,f=-0.084) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.845 12.108 -6.861 1.00 0.54 N ATOM 2 CA ALA A 1 -2.590 10.839 -6.695 1.00 0.39 C ATOM 3 C ALA A 1 -4.080 11.111 -6.620 1.00 0.35 C ATOM 4 O ALA A 1 -4.515 12.064 -5.985 1.00 0.37 O ATOM 5 CB ALA A 1 -2.120 10.099 -5.453 1.00 0.28 C ATOM 0 H1 ALA A 1 -1.008 12.102 -6.244 1.00 0.54 H new ATOM 0 H2 ALA A 1 -1.544 12.207 -7.852 1.00 0.54 H new ATOM 0 H3 ALA A 1 -2.459 12.907 -6.604 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.394 10.208 -7.562 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.680 9.170 -5.350 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.057 9.874 -5.544 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.285 10.722 -4.574 1.00 0.28 H new ATOM 13 N PRO A 2 -4.873 10.287 -7.309 1.00 0.34 N ATOM 14 CA PRO A 2 -6.328 10.406 -7.351 1.00 0.34 C ATOM 15 C PRO A 2 -7.002 9.874 -6.106 1.00 0.28 C ATOM 16 O PRO A 2 -8.115 10.281 -5.770 1.00 0.28 O ATOM 17 CB PRO A 2 -6.725 9.534 -8.537 1.00 0.39 C ATOM 18 CG PRO A 2 -5.447 9.222 -9.236 1.00 0.45 C ATOM 19 CD PRO A 2 -4.423 9.190 -8.152 1.00 0.39 C ATOM 0 HA PRO A 2 -6.630 11.451 -7.428 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.226 8.624 -8.207 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.417 10.057 -9.197 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.503 8.266 -9.757 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.209 9.979 -9.984 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.415 8.238 -7.620 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.414 9.350 -8.533 1.00 0.39 H new ATOM 27 N THR A 3 -6.334 8.949 -5.435 1.00 0.27 N ATOM 28 CA THR A 3 -6.917 8.282 -4.291 1.00 0.24 C ATOM 29 C THR A 3 -5.932 8.224 -3.130 1.00 0.19 C ATOM 30 O THR A 3 -4.722 8.367 -3.345 1.00 0.19 O ATOM 31 CB THR A 3 -7.380 6.866 -4.660 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.262 6.093 -5.130 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.455 6.923 -5.738 1.00 0.37 C ATOM 0 H THR A 3 -5.388 8.646 -5.666 1.00 0.27 H new ATOM 0 HA THR A 3 -7.785 8.862 -3.979 1.00 0.24 H new ATOM 0 HB THR A 3 -7.798 6.393 -3.771 1.00 0.31 H new ATOM 0 HG1 THR A 3 -6.563 5.190 -5.362 1.00 0.34 H new ATOM 0 HG21 THR A 3 -8.773 5.911 -5.989 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.309 7.491 -5.370 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.053 7.408 -6.628 1.00 0.37 H new ATOM 41 N LEU A 4 -6.430 8.034 -1.915 1.00 0.16 N ATOM 42 CA LEU A 4 -5.578 8.118 -0.730 1.00 0.15 C ATOM 43 C LEU A 4 -4.452 7.093 -0.774 1.00 0.18 C ATOM 44 O LEU A 4 -3.310 7.394 -0.422 1.00 0.24 O ATOM 45 CB LEU A 4 -6.394 7.961 0.557 1.00 0.13 C ATOM 46 CG LEU A 4 -5.569 7.942 1.842 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.007 9.326 2.102 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.401 7.474 3.023 1.00 0.15 C ATOM 0 H LEU A 4 -7.409 7.823 -1.722 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.129 9.111 -0.731 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.113 8.778 0.616 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -6.967 7.036 0.496 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.748 7.236 1.719 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.418 9.313 3.019 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.372 9.624 1.267 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.826 10.038 2.207 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -5.786 7.471 3.923 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.246 8.148 3.163 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -6.769 6.466 2.832 1.00 0.15 H new ATOM 60 N GLN A 5 -4.755 5.894 -1.241 1.00 0.17 N ATOM 61 CA GLN A 5 -3.751 4.852 -1.288 1.00 0.22 C ATOM 62 C GLN A 5 -2.662 5.170 -2.308 1.00 0.22 C ATOM 63 O GLN A 5 -1.515 4.784 -2.120 1.00 0.25 O ATOM 64 CB GLN A 5 -4.364 3.501 -1.600 1.00 0.29 C ATOM 65 CG GLN A 5 -3.367 2.374 -1.399 1.00 0.55 C ATOM 66 CD GLN A 5 -3.354 1.371 -2.529 1.00 0.67 C ATOM 67 OE1 GLN A 5 -4.384 1.061 -3.124 1.00 1.58 O ATOM 68 NE2 GLN A 5 -2.169 0.884 -2.853 1.00 0.73 N ATOM 0 H GLN A 5 -5.675 5.623 -1.588 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.299 4.808 -0.297 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.232 3.338 -0.960 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -4.721 3.492 -2.630 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -2.369 2.798 -1.289 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -3.598 1.857 -0.468 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.340 1.169 -2.331 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -2.083 0.223 -3.625 1.00 0.73 H new ATOM 77 N GLU A 6 -2.997 5.875 -3.382 1.00 0.23 N ATOM 78 CA GLU A 6 -1.965 6.255 -4.337 1.00 0.24 C ATOM 79 C GLU A 6 -1.126 7.381 -3.758 1.00 0.23 C ATOM 80 O GLU A 6 0.015 7.587 -4.156 1.00 0.24 O ATOM 81 CB GLU A 6 -2.520 6.663 -5.699 1.00 0.30 C ATOM 82 CG GLU A 6 -1.434 6.760 -6.742 1.00 0.34 C ATOM 83 CD GLU A 6 -1.922 7.176 -8.105 1.00 0.95 C ATOM 84 OE1 GLU A 6 -2.647 6.383 -8.738 1.00 1.11 O ATOM 85 OE2 GLU A 6 -1.598 8.300 -8.545 1.00 1.70 O ATOM 0 H GLU A 6 -3.942 6.186 -3.609 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.351 5.371 -4.508 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.267 5.937 -6.019 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.027 7.624 -5.612 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -0.684 7.474 -6.404 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -0.939 5.793 -6.825 1.00 0.34 H new ATOM 92 N ALA A 7 -1.697 8.110 -2.808 1.00 0.22 N ATOM 93 CA ALA A 7 -0.940 9.101 -2.067 1.00 0.22 C ATOM 94 C ALA A 7 0.059 8.380 -1.176 1.00 0.19 C ATOM 95 O ALA A 7 1.125 8.902 -0.849 1.00 0.19 O ATOM 96 CB ALA A 7 -1.872 9.993 -1.259 1.00 0.24 C ATOM 0 H ALA A 7 -2.677 8.032 -2.536 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.398 9.750 -2.755 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.285 10.730 -0.710 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.560 10.505 -1.932 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.439 9.384 -0.555 1.00 0.24 H new ATOM 102 N LEU A 8 -0.293 7.154 -0.817 1.00 0.17 N ATOM 103 CA LEU A 8 0.618 6.269 -0.123 1.00 0.15 C ATOM 104 C LEU A 8 1.687 5.767 -1.070 1.00 0.15 C ATOM 105 O LEU A 8 2.869 5.845 -0.774 1.00 0.16 O ATOM 106 CB LEU A 8 -0.103 5.077 0.451 1.00 0.15 C ATOM 107 CG LEU A 8 -1.041 5.354 1.599 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.342 4.061 2.314 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.439 6.355 2.552 1.00 0.12 C ATOM 0 H LEU A 8 -1.212 6.751 -0.999 1.00 0.17 H new ATOM 0 HA LEU A 8 1.068 6.842 0.688 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.672 4.603 -0.349 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.642 4.354 0.784 1.00 0.15 H new ATOM 0 HG LEU A 8 -1.966 5.779 1.210 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -2.020 4.254 3.145 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.809 3.362 1.620 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.415 3.631 2.694 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.133 6.540 3.372 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.496 5.962 2.950 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.245 7.289 2.024 1.00 0.12 H new ATOM 121 N ASP A 9 1.247 5.247 -2.213 1.00 0.15 N ATOM 122 CA ASP A 9 2.143 4.779 -3.273 1.00 0.15 C ATOM 123 C ASP A 9 3.094 5.901 -3.687 1.00 0.15 C ATOM 124 O ASP A 9 4.181 5.664 -4.208 1.00 0.15 O ATOM 125 CB ASP A 9 1.332 4.319 -4.498 1.00 0.20 C ATOM 126 CG ASP A 9 0.470 3.088 -4.240 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.518 2.549 -3.111 1.00 1.34 O ATOM 128 OD2 ASP A 9 -0.260 2.654 -5.155 1.00 1.61 O ATOM 0 H ASP A 9 0.257 5.137 -2.433 1.00 0.15 H new ATOM 0 HA ASP A 9 2.719 3.936 -2.890 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.691 5.137 -4.826 1.00 0.20 H new ATOM 0 HB3 ASP A 9 2.019 4.105 -5.317 1.00 0.20 H new ATOM 133 N ARG A 10 2.666 7.126 -3.417 1.00 0.17 N ATOM 134 CA ARG A 10 3.419 8.320 -3.747 1.00 0.20 C ATOM 135 C ARG A 10 4.430 8.613 -2.644 1.00 0.19 C ATOM 136 O ARG A 10 5.537 9.078 -2.903 1.00 0.24 O ATOM 137 CB ARG A 10 2.435 9.473 -3.909 1.00 0.25 C ATOM 138 CG ARG A 10 2.852 10.516 -4.909 1.00 0.67 C ATOM 139 CD ARG A 10 1.685 10.850 -5.800 1.00 0.64 C ATOM 140 NE ARG A 10 2.062 11.714 -6.914 1.00 1.02 N ATOM 141 CZ ARG A 10 1.511 11.651 -8.124 1.00 1.80 C ATOM 142 NH1 ARG A 10 0.598 10.724 -8.399 1.00 2.60 N ATOM 143 NH2 ARG A 10 1.888 12.499 -9.068 1.00 2.10 N ATOM 0 H ARG A 10 1.776 7.317 -2.957 1.00 0.17 H new ATOM 0 HA ARG A 10 3.971 8.183 -4.677 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.468 9.069 -4.207 1.00 0.25 H new ATOM 0 HB3 ARG A 10 2.295 9.953 -2.940 1.00 0.25 H new ATOM 0 HG2 ARG A 10 3.198 11.412 -4.394 1.00 0.67 H new ATOM 0 HG3 ARG A 10 3.687 10.149 -5.507 1.00 0.67 H new ATOM 0 HD2 ARG A 10 1.254 9.928 -6.189 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.910 11.340 -5.210 1.00 0.64 H new ATOM 0 HE ARG A 10 2.792 12.408 -6.756 1.00 1.02 H new ATOM 0 HH11 ARG A 10 0.317 10.057 -7.681 1.00 2.60 H new ATOM 0 HH12 ARG A 10 0.179 10.681 -9.328 1.00 2.60 H new ATOM 0 HH21 ARG A 10 2.601 13.201 -8.868 1.00 2.10 H new ATOM 0 HH22 ARG A 10 1.466 12.451 -9.995 1.00 2.10 H new ATOM 157 N LYS A 11 4.039 8.312 -1.410 1.00 0.18 N ATOM 158 CA LYS A 11 4.949 8.358 -0.282 1.00 0.21 C ATOM 159 C LYS A 11 5.990 7.267 -0.480 1.00 0.18 C ATOM 160 O LYS A 11 7.190 7.468 -0.303 1.00 0.18 O ATOM 161 CB LYS A 11 4.185 8.137 1.016 1.00 0.26 C ATOM 162 CG LYS A 11 5.049 8.256 2.252 1.00 0.42 C ATOM 163 CD LYS A 11 5.917 9.490 2.204 1.00 0.52 C ATOM 164 CE LYS A 11 5.084 10.750 2.173 1.00 0.59 C ATOM 165 NZ LYS A 11 5.918 11.978 2.175 1.00 0.99 N ATOM 0 H LYS A 11 3.088 8.032 -1.169 1.00 0.18 H new ATOM 0 HA LYS A 11 5.434 9.332 -0.222 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.373 8.862 1.079 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.728 7.148 0.996 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.415 8.290 3.138 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.678 7.371 2.344 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.574 9.508 3.073 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.556 9.453 1.322 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.453 10.744 1.284 1.00 0.59 H new ATOM 0 HE3 LYS A 11 4.419 10.764 3.036 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 5.370 12.769 2.570 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 6.766 11.821 2.756 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 6.203 12.206 1.201 1.00 0.99 H new ATOM 179 N CYS A 12 5.481 6.115 -0.889 1.00 0.16 N ATOM 180 CA CYS A 12 6.281 4.960 -1.253 1.00 0.14 C ATOM 181 C CYS A 12 7.283 5.290 -2.348 1.00 0.14 C ATOM 182 O CYS A 12 8.392 4.761 -2.368 1.00 0.14 O ATOM 183 CB CYS A 12 5.346 3.838 -1.700 1.00 0.13 C ATOM 184 SG CYS A 12 4.335 3.174 -0.362 1.00 0.15 S ATOM 0 H CYS A 12 4.478 5.956 -0.978 1.00 0.16 H new ATOM 0 HA CYS A 12 6.857 4.643 -0.383 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.693 4.212 -2.488 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.938 3.032 -2.133 1.00 0.13 H new ATOM 0 HG CYS A 12 5.106 2.668 0.554 1.00 0.15 H new ATOM 190 N ALA A 13 6.896 6.175 -3.250 1.00 0.17 N ATOM 191 CA ALA A 13 7.757 6.570 -4.349 1.00 0.20 C ATOM 192 C ALA A 13 8.882 7.459 -3.839 1.00 0.21 C ATOM 193 O ALA A 13 9.997 7.436 -4.358 1.00 0.28 O ATOM 194 CB ALA A 13 6.941 7.286 -5.409 1.00 0.25 C ATOM 0 H ALA A 13 5.986 6.635 -3.242 1.00 0.17 H new ATOM 0 HA ALA A 13 8.202 5.681 -4.796 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.592 7.581 -6.232 1.00 0.25 H new ATOM 0 HB2 ALA A 13 6.164 6.619 -5.782 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.480 8.174 -4.975 1.00 0.25 H new ATOM 200 N GLN A 14 8.581 8.213 -2.794 1.00 0.20 N ATOM 201 CA GLN A 14 9.534 9.140 -2.202 1.00 0.23 C ATOM 202 C GLN A 14 10.608 8.407 -1.413 1.00 0.26 C ATOM 203 O GLN A 14 11.697 8.930 -1.200 1.00 0.43 O ATOM 204 CB GLN A 14 8.806 10.113 -1.300 1.00 0.24 C ATOM 205 CG GLN A 14 7.934 11.077 -2.076 1.00 0.26 C ATOM 206 CD GLN A 14 7.290 12.134 -1.200 1.00 0.32 C ATOM 207 OE1 GLN A 14 6.201 11.934 -0.662 1.00 0.87 O ATOM 208 NE2 GLN A 14 7.945 13.278 -1.074 1.00 1.07 N ATOM 0 H GLN A 14 7.671 8.200 -2.333 1.00 0.20 H new ATOM 0 HA GLN A 14 10.024 9.683 -3.010 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.189 9.558 -0.593 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.533 10.676 -0.715 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.536 11.566 -2.842 1.00 0.26 H new ATOM 0 HG3 GLN A 14 7.154 10.517 -2.592 1.00 0.26 H new ATOM 0 HE21 GLN A 14 8.845 13.404 -1.536 1.00 1.07 H new ATOM 0 HE22 GLN A 14 7.549 14.033 -0.515 1.00 1.07 H new ATOM 217 N PHE A 15 10.276 7.211 -0.962 1.00 0.20 N ATOM 218 CA PHE A 15 11.225 6.356 -0.255 1.00 0.20 C ATOM 219 C PHE A 15 11.843 5.339 -1.206 1.00 0.19 C ATOM 220 O PHE A 15 13.059 5.298 -1.383 1.00 0.24 O ATOM 221 CB PHE A 15 10.546 5.602 0.889 1.00 0.21 C ATOM 222 CG PHE A 15 9.918 6.476 1.928 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.686 7.396 2.607 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.568 6.384 2.222 1.00 0.18 C ATOM 225 CE1 PHE A 15 10.131 8.208 3.562 1.00 0.42 C ATOM 226 CE2 PHE A 15 8.003 7.195 3.183 1.00 0.24 C ATOM 227 CZ PHE A 15 8.725 8.073 3.845 1.00 0.33 C ATOM 0 H PHE A 15 9.348 6.803 -1.072 1.00 0.20 H new ATOM 0 HA PHE A 15 12.001 7.004 0.151 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.780 4.949 0.471 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.283 4.960 1.371 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.739 7.479 2.384 1.00 0.36 H new ATOM 0 HD2 PHE A 15 7.952 5.671 1.694 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.734 8.932 4.090 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.948 7.108 3.396 1.00 0.24 H new ATOM 0 HZ PHE A 15 8.264 8.692 4.600 1.00 0.33 H new ATOM 237 N GLY A 16 10.984 4.525 -1.817 1.00 0.15 N ATOM 238 CA GLY A 16 11.427 3.466 -2.697 1.00 0.15 C ATOM 239 C GLY A 16 12.346 3.962 -3.783 1.00 0.15 C ATOM 240 O GLY A 16 13.507 3.577 -3.855 1.00 0.18 O ATOM 0 H GLY A 16 9.971 4.587 -1.712 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.941 2.703 -2.112 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.559 2.989 -3.151 1.00 0.15 H new ATOM 244 N LYS A 17 11.844 4.850 -4.613 1.00 0.18 N ATOM 245 CA LYS A 17 12.592 5.301 -5.763 1.00 0.23 C ATOM 246 C LYS A 17 13.715 6.232 -5.339 1.00 0.28 C ATOM 247 O LYS A 17 14.625 6.505 -6.107 1.00 0.34 O ATOM 248 CB LYS A 17 11.671 5.996 -6.739 1.00 0.28 C ATOM 249 CG LYS A 17 10.338 5.295 -6.918 1.00 0.28 C ATOM 250 CD LYS A 17 10.486 3.890 -7.480 1.00 0.27 C ATOM 251 CE LYS A 17 9.151 3.371 -7.971 1.00 0.90 C ATOM 252 NZ LYS A 17 8.567 4.255 -9.015 1.00 1.24 N ATOM 0 H LYS A 17 10.921 5.273 -4.512 1.00 0.18 H new ATOM 0 HA LYS A 17 13.035 4.434 -6.253 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.493 7.015 -6.396 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.168 6.068 -7.707 1.00 0.28 H new ATOM 0 HG2 LYS A 17 9.826 5.246 -5.957 1.00 0.28 H new ATOM 0 HG3 LYS A 17 9.709 5.884 -7.585 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.205 3.894 -8.299 1.00 0.27 H new ATOM 0 HD3 LYS A 17 10.881 3.225 -6.712 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.277 2.366 -8.374 1.00 0.90 H new ATOM 0 HE3 LYS A 17 8.460 3.293 -7.132 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 7.766 4.784 -8.614 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 9.291 4.923 -9.349 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 8.235 3.677 -9.813 1.00 1.24 H new ATOM 266 N GLU A 18 13.634 6.729 -4.118 1.00 0.27 N ATOM 267 CA GLU A 18 14.746 7.457 -3.522 1.00 0.34 C ATOM 268 C GLU A 18 15.927 6.506 -3.352 1.00 0.35 C ATOM 269 O GLU A 18 17.073 6.850 -3.657 1.00 0.43 O ATOM 270 CB GLU A 18 14.312 8.079 -2.192 1.00 0.36 C ATOM 271 CG GLU A 18 15.403 8.839 -1.441 1.00 0.53 C ATOM 272 CD GLU A 18 16.202 7.974 -0.486 1.00 1.01 C ATOM 273 OE1 GLU A 18 15.713 7.713 0.634 1.00 1.47 O ATOM 274 OE2 GLU A 18 17.329 7.565 -0.840 1.00 1.55 O ATOM 0 H GLU A 18 12.813 6.644 -3.519 1.00 0.27 H new ATOM 0 HA GLU A 18 15.057 8.274 -4.173 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.482 8.760 -2.382 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.933 7.287 -1.546 1.00 0.36 H new ATOM 0 HG2 GLU A 18 16.083 9.290 -2.164 1.00 0.53 H new ATOM 0 HG3 GLU A 18 14.946 9.655 -0.882 1.00 0.53 H new ATOM 281 N SER A 19 15.633 5.291 -2.897 1.00 0.30 N ATOM 282 CA SER A 19 16.620 4.224 -2.876 1.00 0.32 C ATOM 283 C SER A 19 17.114 3.954 -4.290 1.00 0.33 C ATOM 284 O SER A 19 18.310 3.804 -4.529 1.00 0.40 O ATOM 285 CB SER A 19 16.016 2.961 -2.276 1.00 0.29 C ATOM 286 OG SER A 19 15.464 3.217 -0.993 1.00 0.30 O ATOM 0 H SER A 19 14.716 5.024 -2.538 1.00 0.30 H new ATOM 0 HA SER A 19 17.464 4.530 -2.258 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.241 2.575 -2.938 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.782 2.190 -2.198 1.00 0.29 H new ATOM 0 HG SER A 19 15.081 2.391 -0.631 1.00 0.30 H new ATOM 292 N CYS A 20 16.179 3.916 -5.229 1.00 0.30 N ATOM 293 CA CYS A 20 16.505 3.741 -6.637 1.00 0.33 C ATOM 294 C CYS A 20 17.424 4.861 -7.133 1.00 0.39 C ATOM 295 O CYS A 20 18.354 4.621 -7.905 1.00 0.43 O ATOM 296 CB CYS A 20 15.215 3.689 -7.460 1.00 0.32 C ATOM 297 SG CYS A 20 15.301 4.537 -9.056 1.00 1.08 S ATOM 0 H CYS A 20 15.181 4.005 -5.039 1.00 0.30 H new ATOM 0 HA CYS A 20 17.042 2.800 -6.759 1.00 0.33 H new ATOM 0 HB2 CYS A 20 14.952 2.645 -7.632 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.408 4.128 -6.874 1.00 0.32 H new ATOM 0 HG CYS A 20 15.090 5.808 -8.884 1.00 1.08 H new ATOM 303 N ASN A 21 17.166 6.078 -6.671 1.00 0.44 N ATOM 304 CA ASN A 21 17.964 7.235 -7.053 1.00 0.52 C ATOM 305 C ASN A 21 19.382 7.132 -6.515 1.00 0.58 C ATOM 306 O ASN A 21 20.337 7.511 -7.190 1.00 0.69 O ATOM 307 CB ASN A 21 17.311 8.529 -6.568 1.00 0.55 C ATOM 308 CG ASN A 21 16.395 9.149 -7.613 1.00 0.56 C ATOM 309 OD1 ASN A 21 16.831 9.966 -8.425 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.127 8.765 -7.610 1.00 0.58 N ATOM 0 H ASN A 21 16.404 6.290 -6.026 1.00 0.44 H new ATOM 0 HA ASN A 21 18.013 7.253 -8.142 1.00 0.52 H new ATOM 0 HB2 ASN A 21 16.739 8.326 -5.663 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.088 9.245 -6.300 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.476 9.148 -8.296 1.00 0.58 H new ATOM 0 HD22 ASN A 21 14.801 8.086 -6.922 1.00 0.58 H new ATOM 317 N SER A 22 19.525 6.602 -5.308 1.00 0.55 N ATOM 318 CA SER A 22 20.839 6.479 -4.696 1.00 0.63 C ATOM 319 C SER A 22 21.620 5.297 -5.277 1.00 0.63 C ATOM 320 O SER A 22 22.849 5.344 -5.358 1.00 0.76 O ATOM 321 CB SER A 22 20.711 6.365 -3.175 1.00 0.67 C ATOM 322 OG SER A 22 19.638 5.516 -2.807 1.00 1.28 O ATOM 0 H SER A 22 18.754 6.253 -4.738 1.00 0.55 H new ATOM 0 HA SER A 22 21.404 7.382 -4.926 1.00 0.63 H new ATOM 0 HB2 SER A 22 21.641 5.979 -2.758 1.00 0.67 H new ATOM 0 HB3 SER A 22 20.556 7.355 -2.746 1.00 0.67 H new ATOM 0 HG SER A 22 19.432 4.909 -3.548 1.00 1.28 H new ATOM 328 N GLY A 23 20.920 4.254 -5.716 1.00 0.52 N ATOM 329 CA GLY A 23 21.609 3.148 -6.362 1.00 0.57 C ATOM 330 C GLY A 23 20.870 1.824 -6.295 1.00 0.50 C ATOM 331 O GLY A 23 21.359 0.820 -6.812 1.00 0.57 O ATOM 0 H GLY A 23 19.908 4.154 -5.639 1.00 0.52 H new ATOM 0 HA2 GLY A 23 21.779 3.403 -7.408 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.589 3.027 -5.900 1.00 0.57 H new ATOM 335 N LEU A 24 19.706 1.806 -5.663 1.00 0.41 N ATOM 336 CA LEU A 24 18.919 0.586 -5.575 1.00 0.35 C ATOM 337 C LEU A 24 18.293 0.255 -6.913 1.00 0.37 C ATOM 338 O LEU A 24 17.417 0.966 -7.405 1.00 0.53 O ATOM 339 CB LEU A 24 17.846 0.704 -4.499 1.00 0.30 C ATOM 340 CG LEU A 24 18.155 -0.033 -3.198 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.799 -1.500 -3.317 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.624 0.113 -2.848 1.00 0.48 C ATOM 0 H LEU A 24 19.288 2.617 -5.206 1.00 0.41 H new ATOM 0 HA LEU A 24 19.590 -0.227 -5.297 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.693 1.759 -4.274 1.00 0.30 H new ATOM 0 HB3 LEU A 24 16.907 0.324 -4.900 1.00 0.30 H new ATOM 0 HG LEU A 24 17.553 0.409 -2.404 1.00 0.38 H new ATOM 0 HD11 LEU A 24 18.027 -2.007 -2.379 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.736 -1.600 -3.534 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.378 -1.951 -4.123 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.831 -0.417 -1.918 1.00 0.48 H new ATOM 0 HD22 LEU A 24 20.232 -0.308 -3.649 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.866 1.169 -2.725 1.00 0.48 H new ATOM 354 N ALA A 25 18.755 -0.834 -7.489 1.00 0.32 N ATOM 355 CA ALA A 25 18.329 -1.245 -8.820 1.00 0.33 C ATOM 356 C ALA A 25 16.905 -1.789 -8.817 1.00 0.31 C ATOM 357 O ALA A 25 16.249 -1.829 -9.855 1.00 0.41 O ATOM 358 CB ALA A 25 19.292 -2.276 -9.381 1.00 0.37 C ATOM 0 H ALA A 25 19.433 -1.460 -7.055 1.00 0.32 H new ATOM 0 HA ALA A 25 18.338 -0.362 -9.460 1.00 0.33 H new ATOM 0 HB1 ALA A 25 18.964 -2.576 -10.376 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.291 -1.845 -9.443 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.313 -3.148 -8.727 1.00 0.37 H new ATOM 364 N SER A 26 16.428 -2.192 -7.651 1.00 0.25 N ATOM 365 CA SER A 26 15.100 -2.766 -7.525 1.00 0.22 C ATOM 366 C SER A 26 14.005 -1.742 -7.822 1.00 0.19 C ATOM 367 O SER A 26 13.141 -1.985 -8.659 1.00 0.22 O ATOM 368 CB SER A 26 14.924 -3.350 -6.135 1.00 0.24 C ATOM 369 OG SER A 26 15.255 -2.405 -5.132 1.00 1.04 O ATOM 0 H SER A 26 16.945 -2.131 -6.774 1.00 0.25 H new ATOM 0 HA SER A 26 15.004 -3.560 -8.266 1.00 0.22 H new ATOM 0 HB2 SER A 26 13.892 -3.676 -6.004 1.00 0.24 H new ATOM 0 HB3 SER A 26 15.554 -4.233 -6.027 1.00 0.24 H new ATOM 0 HG SER A 26 15.130 -2.809 -4.248 1.00 1.04 H new ATOM 375 N TYR A 27 14.045 -0.600 -7.138 1.00 0.16 N ATOM 376 CA TYR A 27 13.042 0.447 -7.337 1.00 0.16 C ATOM 377 C TYR A 27 13.278 1.173 -8.656 1.00 0.21 C ATOM 378 O TYR A 27 12.444 1.962 -9.103 1.00 0.26 O ATOM 379 CB TYR A 27 13.068 1.451 -6.177 1.00 0.15 C ATOM 380 CG TYR A 27 13.215 0.798 -4.826 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.141 0.147 -4.236 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.432 0.807 -4.155 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.269 -0.471 -3.010 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.568 0.183 -2.932 1.00 0.22 C ATOM 385 CZ TYR A 27 13.490 -0.451 -2.363 1.00 0.21 C ATOM 386 OH TYR A 27 13.636 -1.067 -1.143 1.00 0.27 O ATOM 0 H TYR A 27 14.758 -0.376 -6.444 1.00 0.16 H new ATOM 0 HA TYR A 27 12.061 -0.028 -7.367 1.00 0.16 H new ATOM 0 HB2 TYR A 27 13.892 2.148 -6.327 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.149 2.036 -6.192 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.189 0.124 -4.745 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.281 1.308 -4.596 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.422 -0.967 -2.559 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.520 0.193 -2.423 1.00 0.22 H new ATOM 0 HH TYR A 27 14.558 -0.958 -0.830 1.00 0.27 H new ATOM 396 N CYS A 28 14.417 0.894 -9.276 1.00 0.25 N ATOM 397 CA CYS A 28 14.789 1.538 -10.520 1.00 0.31 C ATOM 398 C CYS A 28 13.937 0.994 -11.665 1.00 0.41 C ATOM 399 O CYS A 28 14.039 -0.181 -12.024 1.00 0.48 O ATOM 400 CB CYS A 28 16.277 1.313 -10.798 1.00 0.35 C ATOM 401 SG CYS A 28 16.945 2.313 -12.146 1.00 0.81 S ATOM 0 H CYS A 28 15.101 0.220 -8.931 1.00 0.25 H new ATOM 0 HA CYS A 28 14.610 2.610 -10.437 1.00 0.31 H new ATOM 0 HB2 CYS A 28 16.840 1.527 -9.890 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.435 0.260 -11.030 1.00 0.35 H new ATOM 0 HG CYS A 28 18.209 2.049 -12.297 1.00 0.81 H new ATOM 407 N GLY A 29 13.084 1.849 -12.222 1.00 0.50 N ATOM 408 CA GLY A 29 12.162 1.412 -13.252 1.00 0.65 C ATOM 409 C GLY A 29 11.080 0.514 -12.690 1.00 0.57 C ATOM 410 O GLY A 29 10.511 -0.321 -13.399 1.00 0.74 O ATOM 0 H GLY A 29 13.016 2.837 -11.977 1.00 0.50 H new ATOM 0 HA2 GLY A 29 11.705 2.282 -13.724 1.00 0.65 H new ATOM 0 HA3 GLY A 29 12.710 0.879 -14.029 1.00 0.65 H new ATOM 414 N ALA A 30 10.804 0.680 -11.406 1.00 0.43 N ATOM 415 CA ALA A 30 9.835 -0.146 -10.715 1.00 0.35 C ATOM 416 C ALA A 30 8.595 0.646 -10.348 1.00 0.30 C ATOM 417 O ALA A 30 8.580 1.871 -10.412 1.00 0.41 O ATOM 418 CB ALA A 30 10.450 -0.746 -9.468 1.00 0.33 C ATOM 0 H ALA A 30 11.245 1.388 -10.819 1.00 0.43 H new ATOM 0 HA ALA A 30 9.539 -0.947 -11.392 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.711 -1.364 -8.959 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.308 -1.359 -9.744 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.775 0.053 -8.802 1.00 0.33 H new ATOM 424 N ALA A 31 7.553 -0.075 -9.990 1.00 0.24 N ATOM 425 CA ALA A 31 6.327 0.511 -9.494 1.00 0.19 C ATOM 426 C ALA A 31 6.221 0.235 -8.009 1.00 0.18 C ATOM 427 O ALA A 31 6.033 -0.902 -7.627 1.00 0.30 O ATOM 428 CB ALA A 31 5.148 -0.100 -10.220 1.00 0.19 C ATOM 0 H ALA A 31 7.534 -1.094 -10.036 1.00 0.24 H new ATOM 0 HA ALA A 31 6.329 1.587 -9.666 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.223 0.341 -9.847 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.238 0.095 -11.289 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.132 -1.176 -10.048 1.00 0.19 H new ATOM 434 N ILE A 32 6.358 1.236 -7.159 1.00 0.14 N ATOM 435 CA ILE A 32 6.317 0.968 -5.733 1.00 0.13 C ATOM 436 C ILE A 32 4.952 1.329 -5.166 1.00 0.13 C ATOM 437 O ILE A 32 4.363 2.350 -5.526 1.00 0.21 O ATOM 438 CB ILE A 32 7.440 1.685 -4.945 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.463 1.176 -3.502 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.238 3.183 -4.977 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.828 1.206 -2.861 1.00 0.15 C ATOM 0 H ILE A 32 6.495 2.213 -7.419 1.00 0.14 H new ATOM 0 HA ILE A 32 6.490 -0.101 -5.611 1.00 0.13 H new ATOM 0 HB ILE A 32 8.399 1.463 -5.414 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.779 1.779 -2.904 1.00 0.13 H new ATOM 0 HG13 ILE A 32 7.086 0.153 -3.483 1.00 0.13 H new ATOM 0 HG21 ILE A 32 8.037 3.670 -4.418 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.254 3.530 -6.010 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.277 3.430 -4.526 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.759 0.830 -1.840 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.512 0.580 -3.433 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.200 2.230 -2.846 1.00 0.15 H new ATOM 453 N TYR A 33 4.450 0.464 -4.304 1.00 0.10 N ATOM 454 CA TYR A 33 3.105 0.589 -3.776 1.00 0.10 C ATOM 455 C TYR A 33 3.108 0.514 -2.260 1.00 0.09 C ATOM 456 O TYR A 33 4.020 -0.053 -1.654 1.00 0.09 O ATOM 457 CB TYR A 33 2.230 -0.533 -4.324 1.00 0.10 C ATOM 458 CG TYR A 33 2.197 -0.611 -5.830 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.384 0.235 -6.567 1.00 0.16 C ATOM 460 CD2 TYR A 33 2.983 -1.526 -6.512 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.357 0.173 -7.941 1.00 0.19 C ATOM 462 CE2 TYR A 33 2.961 -1.596 -7.890 1.00 0.16 C ATOM 463 CZ TYR A 33 2.129 -0.764 -8.599 1.00 0.19 C ATOM 464 OH TYR A 33 2.127 -0.801 -9.976 1.00 0.24 O ATOM 0 H TYR A 33 4.963 -0.344 -3.951 1.00 0.10 H new ATOM 0 HA TYR A 33 2.710 1.558 -4.082 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.589 -1.484 -3.930 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.213 -0.398 -3.956 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.762 0.954 -6.055 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.623 -2.195 -5.956 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.735 0.854 -8.503 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.594 -2.301 -8.408 1.00 0.16 H new ATOM 0 HH TYR A 33 2.368 -1.701 -10.279 1.00 0.24 H new ATOM 474 N ALA A 34 2.081 1.085 -1.659 1.00 0.11 N ATOM 475 CA ALA A 34 1.876 0.990 -0.230 1.00 0.11 C ATOM 476 C ALA A 34 1.052 -0.224 0.090 1.00 0.10 C ATOM 477 O ALA A 34 -0.089 -0.338 -0.356 1.00 0.14 O ATOM 478 CB ALA A 34 1.159 2.208 0.293 1.00 0.12 C ATOM 0 H ALA A 34 1.368 1.626 -2.148 1.00 0.11 H new ATOM 0 HA ALA A 34 2.855 0.917 0.244 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.017 2.112 1.369 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.753 3.098 0.083 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.188 2.296 -0.195 1.00 0.12 H new ATOM 484 N ARG A 35 1.609 -1.130 0.854 1.00 0.09 N ATOM 485 CA ARG A 35 0.854 -2.276 1.276 1.00 0.09 C ATOM 486 C ARG A 35 1.106 -2.543 2.749 1.00 0.08 C ATOM 487 O ARG A 35 2.239 -2.741 3.178 1.00 0.08 O ATOM 488 CB ARG A 35 1.176 -3.500 0.405 1.00 0.10 C ATOM 489 CG ARG A 35 -0.038 -4.381 0.163 1.00 0.12 C ATOM 490 CD ARG A 35 -1.122 -3.616 -0.593 1.00 0.16 C ATOM 491 NE ARG A 35 -0.625 -3.091 -1.876 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.354 -2.384 -2.743 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.638 -2.159 -2.513 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.795 -1.926 -3.861 1.00 0.40 N ATOM 0 H ARG A 35 2.571 -1.095 1.192 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.209 -2.070 1.147 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.574 -3.165 -0.553 1.00 0.10 H new ATOM 0 HB3 ARG A 35 1.957 -4.088 0.886 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.255 -5.263 -0.406 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.433 -4.733 1.116 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.972 -4.274 -0.774 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.482 -2.792 0.023 1.00 0.16 H new ATOM 0 HE ARG A 35 0.347 -3.281 -2.120 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -3.077 -2.527 -1.669 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -3.188 -1.618 -3.180 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.188 -2.115 -4.054 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.350 -1.386 -4.525 1.00 0.40 H new ATOM 508 N TYR A 36 0.042 -2.465 3.524 1.00 0.10 N ATOM 509 CA TYR A 36 0.074 -2.841 4.918 1.00 0.11 C ATOM 510 C TYR A 36 0.107 -4.358 4.972 1.00 0.14 C ATOM 511 O TYR A 36 -0.934 -5.005 5.044 1.00 0.19 O ATOM 512 CB TYR A 36 -1.174 -2.316 5.634 1.00 0.14 C ATOM 513 CG TYR A 36 -1.071 -2.339 7.137 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.288 -1.427 7.830 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.764 -3.287 7.861 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.204 -1.471 9.210 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.695 -3.338 9.230 1.00 0.21 C ATOM 518 CZ TYR A 36 -0.852 -2.334 9.904 1.00 0.18 C ATOM 519 OH TYR A 36 -0.835 -2.489 11.278 1.00 0.20 O ATOM 0 H TYR A 36 -0.869 -2.138 3.201 1.00 0.10 H new ATOM 0 HA TYR A 36 0.947 -2.417 5.413 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.364 -1.293 5.308 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -2.034 -2.913 5.329 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.262 -0.674 7.286 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.376 -4.007 7.337 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.426 -0.757 9.719 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.237 -4.084 9.792 1.00 0.21 H new ATOM 0 HH TYR A 36 -0.109 -3.097 11.530 1.00 0.20 H new ATOM 529 N ASP A 37 1.299 -4.914 4.880 1.00 0.13 N ATOM 530 CA ASP A 37 1.471 -6.354 4.777 1.00 0.17 C ATOM 531 C ASP A 37 2.798 -6.748 5.387 1.00 0.17 C ATOM 532 O ASP A 37 3.433 -5.941 6.066 1.00 0.16 O ATOM 533 CB ASP A 37 1.398 -6.832 3.317 1.00 0.19 C ATOM 534 CG ASP A 37 0.529 -8.070 3.187 1.00 0.47 C ATOM 535 OD1 ASP A 37 1.019 -9.173 3.494 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.657 -7.938 2.804 1.00 0.63 O ATOM 0 H ASP A 37 2.172 -4.386 4.874 1.00 0.13 H new ATOM 0 HA ASP A 37 0.657 -6.834 5.321 1.00 0.17 H new ATOM 0 HB2 ASP A 37 0.997 -6.035 2.691 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.402 -7.049 2.952 1.00 0.19 H new ATOM 541 N LYS A 38 3.219 -7.973 5.157 1.00 0.24 N ATOM 542 CA LYS A 38 4.479 -8.452 5.700 1.00 0.27 C ATOM 543 C LYS A 38 5.645 -7.914 4.889 1.00 0.26 C ATOM 544 O LYS A 38 5.530 -7.706 3.684 1.00 0.24 O ATOM 545 CB LYS A 38 4.523 -9.979 5.659 1.00 0.35 C ATOM 546 CG LYS A 38 3.335 -10.659 6.324 1.00 0.73 C ATOM 547 CD LYS A 38 3.286 -12.144 6.026 1.00 1.05 C ATOM 548 CE LYS A 38 3.440 -12.415 4.547 1.00 0.94 C ATOM 549 NZ LYS A 38 3.181 -13.840 4.214 1.00 1.74 N ATOM 0 H LYS A 38 2.710 -8.658 4.598 1.00 0.24 H new ATOM 0 HA LYS A 38 4.557 -8.104 6.730 1.00 0.27 H new ATOM 0 HB2 LYS A 38 4.576 -10.301 4.619 1.00 0.35 H new ATOM 0 HB3 LYS A 38 5.439 -10.317 6.144 1.00 0.35 H new ATOM 0 HG2 LYS A 38 3.389 -10.508 7.402 1.00 0.73 H new ATOM 0 HG3 LYS A 38 2.412 -10.191 5.982 1.00 0.73 H new ATOM 0 HD2 LYS A 38 4.078 -12.653 6.575 1.00 1.05 H new ATOM 0 HD3 LYS A 38 2.340 -12.556 6.376 1.00 1.05 H new ATOM 0 HE2 LYS A 38 2.752 -11.781 3.988 1.00 0.94 H new ATOM 0 HE3 LYS A 38 4.448 -12.146 4.232 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 3.735 -14.107 3.375 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 3.458 -14.440 5.017 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 2.169 -13.972 4.016 1.00 1.74 H new ATOM 563 N GLY A 39 6.756 -7.685 5.562 1.00 0.34 N ATOM 564 CA GLY A 39 7.966 -7.276 4.884 1.00 0.39 C ATOM 565 C GLY A 39 8.857 -8.467 4.629 1.00 0.38 C ATOM 566 O GLY A 39 8.442 -9.426 3.982 1.00 0.40 O ATOM 0 H GLY A 39 6.844 -7.775 6.574 1.00 0.34 H new ATOM 0 HA2 GLY A 39 7.715 -6.793 3.940 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.497 -6.540 5.487 1.00 0.39 H new ATOM 570 N ASN A 40 10.076 -8.419 5.143 1.00 0.42 N ATOM 571 CA ASN A 40 10.956 -9.581 5.110 1.00 0.46 C ATOM 572 C ASN A 40 10.365 -10.664 6.023 1.00 0.45 C ATOM 573 O ASN A 40 9.425 -10.387 6.764 1.00 0.42 O ATOM 574 CB ASN A 40 12.379 -9.178 5.545 1.00 0.56 C ATOM 575 CG ASN A 40 13.352 -10.342 5.590 1.00 0.82 C ATOM 576 OD1 ASN A 40 13.282 -11.264 4.777 1.00 0.89 O ATOM 577 ND2 ASN A 40 14.262 -10.310 6.551 1.00 1.69 N ATOM 0 H ASN A 40 10.479 -7.593 5.586 1.00 0.42 H new ATOM 0 HA ASN A 40 11.030 -9.978 4.098 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.760 -8.423 4.858 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.332 -8.716 6.531 1.00 0.56 H new ATOM 0 HD21 ASN A 40 14.939 -11.068 6.638 1.00 1.69 H new ATOM 0 HD22 ASN A 40 14.286 -9.527 7.205 1.00 1.69 H new ATOM 584 N SER A 41 10.904 -11.874 5.972 1.00 0.57 N ATOM 585 CA SER A 41 10.330 -13.025 6.673 1.00 0.65 C ATOM 586 C SER A 41 10.022 -12.743 8.149 1.00 0.63 C ATOM 587 O SER A 41 8.968 -13.133 8.652 1.00 0.75 O ATOM 588 CB SER A 41 11.280 -14.210 6.548 1.00 0.94 C ATOM 589 OG SER A 41 12.629 -13.787 6.664 1.00 1.58 O ATOM 0 H SER A 41 11.750 -12.090 5.446 1.00 0.57 H new ATOM 0 HA SER A 41 9.374 -13.250 6.201 1.00 0.65 H new ATOM 0 HB2 SER A 41 11.056 -14.945 7.322 1.00 0.94 H new ATOM 0 HB3 SER A 41 11.130 -14.703 5.587 1.00 0.94 H new ATOM 0 HG SER A 41 13.223 -14.562 6.583 1.00 1.58 H new ATOM 595 N SER A 42 10.926 -12.060 8.837 1.00 0.70 N ATOM 596 CA SER A 42 10.741 -11.760 10.253 1.00 0.85 C ATOM 597 C SER A 42 9.688 -10.665 10.456 1.00 0.84 C ATOM 598 O SER A 42 9.073 -10.557 11.519 1.00 1.07 O ATOM 599 CB SER A 42 12.078 -11.336 10.857 1.00 1.03 C ATOM 600 OG SER A 42 12.735 -10.406 10.012 1.00 1.61 O ATOM 0 H SER A 42 11.795 -11.703 8.440 1.00 0.70 H new ATOM 0 HA SER A 42 10.382 -12.657 10.758 1.00 0.85 H new ATOM 0 HB2 SER A 42 11.915 -10.891 11.839 1.00 1.03 H new ATOM 0 HB3 SER A 42 12.710 -12.211 11.005 1.00 1.03 H new ATOM 0 HG SER A 42 13.589 -10.144 10.415 1.00 1.61 H new ATOM 606 N GLN A 43 9.462 -9.891 9.405 1.00 0.71 N ATOM 607 CA GLN A 43 8.570 -8.741 9.448 1.00 0.85 C ATOM 608 C GLN A 43 7.160 -9.117 9.004 1.00 0.89 C ATOM 609 O GLN A 43 6.431 -8.292 8.447 1.00 1.47 O ATOM 610 CB GLN A 43 9.112 -7.618 8.564 1.00 0.90 C ATOM 611 CG GLN A 43 10.463 -7.089 9.013 1.00 1.37 C ATOM 612 CD GLN A 43 10.959 -5.948 8.147 1.00 1.82 C ATOM 613 OE1 GLN A 43 10.655 -5.877 6.951 1.00 2.47 O ATOM 614 NE2 GLN A 43 11.723 -5.046 8.740 1.00 2.27 N ATOM 0 H GLN A 43 9.894 -10.043 8.494 1.00 0.71 H new ATOM 0 HA GLN A 43 8.521 -8.395 10.480 1.00 0.85 H new ATOM 0 HB2 GLN A 43 9.196 -7.981 7.540 1.00 0.90 H new ATOM 0 HB3 GLN A 43 8.395 -6.797 8.553 1.00 0.90 H new ATOM 0 HG2 GLN A 43 10.391 -6.751 10.047 1.00 1.37 H new ATOM 0 HG3 GLN A 43 11.192 -7.899 8.992 1.00 1.37 H new ATOM 0 HE21 GLN A 43 11.950 -5.142 9.730 1.00 2.27 H new ATOM 0 HE22 GLN A 43 12.085 -4.255 8.208 1.00 2.27 H new ATOM 623 N GLN A 44 6.796 -10.378 9.215 1.00 0.61 N ATOM 624 CA GLN A 44 5.486 -10.892 8.814 1.00 0.58 C ATOM 625 C GLN A 44 4.319 -10.226 9.547 1.00 0.65 C ATOM 626 O GLN A 44 3.156 -10.509 9.258 1.00 1.34 O ATOM 627 CB GLN A 44 5.401 -12.386 9.038 1.00 0.63 C ATOM 628 CG GLN A 44 6.018 -12.846 10.333 1.00 1.03 C ATOM 629 CD GLN A 44 6.145 -14.345 10.398 1.00 1.58 C ATOM 630 OE1 GLN A 44 5.261 -15.035 10.904 1.00 2.07 O ATOM 631 NE2 GLN A 44 7.234 -14.860 9.862 1.00 2.18 N ATOM 0 H GLN A 44 7.395 -11.070 9.666 1.00 0.61 H new ATOM 0 HA GLN A 44 5.396 -10.655 7.754 1.00 0.58 H new ATOM 0 HB2 GLN A 44 4.354 -12.687 9.019 1.00 0.63 H new ATOM 0 HB3 GLN A 44 5.894 -12.896 8.211 1.00 0.63 H new ATOM 0 HG2 GLN A 44 7.003 -12.394 10.446 1.00 1.03 H new ATOM 0 HG3 GLN A 44 5.410 -12.497 11.168 1.00 1.03 H new ATOM 0 HE21 GLN A 44 7.940 -14.248 9.454 1.00 2.18 H new ATOM 0 HE22 GLN A 44 7.370 -15.871 9.855 1.00 2.18 H new ATOM 640 N THR A 45 4.607 -9.379 10.512 1.00 0.27 N ATOM 641 CA THR A 45 3.556 -8.626 11.160 1.00 0.30 C ATOM 642 C THR A 45 3.320 -7.338 10.385 1.00 0.25 C ATOM 643 O THR A 45 4.241 -6.541 10.196 1.00 0.35 O ATOM 644 CB THR A 45 3.898 -8.356 12.634 1.00 0.47 C ATOM 645 OG1 THR A 45 5.202 -7.769 12.754 1.00 0.57 O ATOM 646 CG2 THR A 45 3.849 -9.661 13.411 1.00 0.59 C ATOM 0 H THR A 45 5.548 -9.196 10.861 1.00 0.27 H new ATOM 0 HA THR A 45 2.634 -9.208 11.158 1.00 0.30 H new ATOM 0 HB THR A 45 3.167 -7.657 13.041 1.00 0.47 H new ATOM 0 HG1 THR A 45 5.328 -7.104 12.045 1.00 0.57 H new ATOM 0 HG21 THR A 45 4.091 -9.471 14.457 1.00 0.59 H new ATOM 0 HG22 THR A 45 2.849 -10.088 13.342 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.572 -10.361 12.992 1.00 0.59 H new ATOM 654 N LYS A 46 2.097 -7.169 9.892 1.00 0.21 N ATOM 655 CA LYS A 46 1.809 -6.123 8.925 1.00 0.18 C ATOM 656 C LYS A 46 2.058 -4.736 9.479 1.00 0.17 C ATOM 657 O LYS A 46 1.632 -4.390 10.580 1.00 0.21 O ATOM 658 CB LYS A 46 0.378 -6.186 8.404 1.00 0.20 C ATOM 659 CG LYS A 46 0.002 -7.504 7.762 1.00 0.23 C ATOM 660 CD LYS A 46 -1.083 -7.307 6.714 1.00 0.24 C ATOM 661 CE LYS A 46 -1.521 -8.623 6.106 1.00 0.34 C ATOM 662 NZ LYS A 46 -2.405 -8.428 4.925 1.00 0.55 N ATOM 0 H LYS A 46 1.293 -7.743 10.147 1.00 0.21 H new ATOM 0 HA LYS A 46 2.498 -6.308 8.101 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.305 -5.991 9.231 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.234 -5.387 7.676 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.882 -7.952 7.301 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.347 -8.199 8.526 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -1.942 -6.812 7.168 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.714 -6.648 5.928 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -0.642 -9.195 5.810 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.046 -9.212 6.858 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -3.030 -9.253 4.819 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -2.981 -7.573 5.060 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -1.823 -8.322 4.070 1.00 0.55 H new ATOM 676 N GLU A 47 2.768 -3.968 8.689 1.00 0.13 N ATOM 677 CA GLU A 47 2.922 -2.537 8.891 1.00 0.14 C ATOM 678 C GLU A 47 2.975 -1.886 7.542 1.00 0.11 C ATOM 679 O GLU A 47 3.331 -2.534 6.555 1.00 0.12 O ATOM 680 CB GLU A 47 4.191 -2.187 9.667 1.00 0.18 C ATOM 681 CG GLU A 47 4.043 -2.300 11.163 1.00 0.32 C ATOM 682 CD GLU A 47 5.374 -2.420 11.873 1.00 0.33 C ATOM 683 OE1 GLU A 47 5.968 -1.380 12.212 1.00 0.64 O ATOM 684 OE2 GLU A 47 5.837 -3.557 12.097 1.00 0.47 O ATOM 0 H GLU A 47 3.266 -4.320 7.872 1.00 0.13 H new ATOM 0 HA GLU A 47 2.078 -2.180 9.481 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.997 -2.844 9.341 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.489 -1.169 9.417 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.513 -1.425 11.539 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.430 -3.170 11.399 1.00 0.32 H new ATOM 691 N TRP A 48 2.584 -0.630 7.485 1.00 0.11 N ATOM 692 CA TRP A 48 2.674 0.108 6.248 1.00 0.11 C ATOM 693 C TRP A 48 4.107 0.153 5.779 1.00 0.10 C ATOM 694 O TRP A 48 4.962 0.775 6.393 1.00 0.12 O ATOM 695 CB TRP A 48 2.153 1.522 6.405 1.00 0.12 C ATOM 696 CG TRP A 48 0.672 1.631 6.327 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.173 2.046 7.308 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.136 1.317 5.195 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.468 2.031 6.839 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.469 1.575 5.548 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.145 0.844 3.913 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.524 1.378 4.659 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -0.899 0.645 3.035 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.220 0.912 3.412 1.00 0.14 C ATOM 0 H TRP A 48 2.205 -0.105 8.273 1.00 0.11 H new ATOM 0 HA TRP A 48 2.057 -0.405 5.510 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.486 1.917 7.365 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.595 2.150 5.631 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.126 2.342 8.303 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.293 2.314 7.368 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.162 0.637 3.614 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.544 1.586 4.946 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.694 0.277 2.040 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -3.016 0.746 2.701 1.00 0.14 H new ATOM 715 N ARG A 49 4.368 -0.510 4.695 1.00 0.11 N ATOM 716 CA ARG A 49 5.690 -0.532 4.145 1.00 0.13 C ATOM 717 C ARG A 49 5.598 -0.218 2.674 1.00 0.11 C ATOM 718 O ARG A 49 4.520 -0.312 2.080 1.00 0.13 O ATOM 719 CB ARG A 49 6.332 -1.901 4.381 1.00 0.15 C ATOM 720 CG ARG A 49 6.658 -2.181 5.843 1.00 0.21 C ATOM 721 CD ARG A 49 6.763 -3.670 6.126 1.00 0.31 C ATOM 722 NE ARG A 49 7.108 -3.942 7.519 1.00 0.51 N ATOM 723 CZ ARG A 49 6.489 -4.832 8.289 1.00 0.30 C ATOM 724 NH1 ARG A 49 5.474 -5.535 7.818 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.884 -5.015 9.539 1.00 0.45 N ATOM 0 H ARG A 49 3.678 -1.047 4.170 1.00 0.11 H new ATOM 0 HA ARG A 49 6.318 0.214 4.632 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.660 -2.676 4.013 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.248 -1.969 3.794 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.598 -1.695 6.105 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.886 -1.745 6.477 1.00 0.21 H new ATOM 0 HD2 ARG A 49 5.815 -4.152 5.887 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.517 -4.110 5.474 1.00 0.31 H new ATOM 0 HE ARG A 49 7.877 -3.413 7.930 1.00 0.51 H new ATOM 0 HH11 ARG A 49 5.160 -5.397 6.857 1.00 0.82 H new ATOM 0 HH12 ARG A 49 5.004 -6.216 8.415 1.00 0.82 H new ATOM 0 HH21 ARG A 49 7.664 -4.473 9.912 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.409 -5.698 10.129 1.00 0.45 H new ATOM 739 N CYS A 50 6.707 0.140 2.084 1.00 0.11 N ATOM 740 CA CYS A 50 6.712 0.449 0.687 1.00 0.11 C ATOM 741 C CYS A 50 7.241 -0.758 -0.040 1.00 0.11 C ATOM 742 O CYS A 50 8.363 -1.190 0.192 1.00 0.17 O ATOM 743 CB CYS A 50 7.598 1.671 0.435 1.00 0.19 C ATOM 744 SG CYS A 50 7.145 3.117 1.421 1.00 1.13 S ATOM 0 H CYS A 50 7.611 0.223 2.549 1.00 0.11 H new ATOM 0 HA CYS A 50 5.709 0.686 0.331 1.00 0.11 H new ATOM 0 HB2 CYS A 50 8.634 1.407 0.649 1.00 0.19 H new ATOM 0 HB3 CYS A 50 7.547 1.933 -0.622 1.00 0.19 H new ATOM 0 HG CYS A 50 6.115 3.702 0.886 1.00 1.13 H new ATOM 750 N TYR A 51 6.421 -1.290 -0.913 1.00 0.10 N ATOM 751 CA TYR A 51 6.741 -2.500 -1.629 1.00 0.11 C ATOM 752 C TYR A 51 6.665 -2.224 -3.103 1.00 0.10 C ATOM 753 O TYR A 51 5.632 -1.782 -3.592 1.00 0.11 O ATOM 754 CB TYR A 51 5.734 -3.598 -1.298 1.00 0.11 C ATOM 755 CG TYR A 51 5.631 -3.965 0.148 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.753 -4.240 0.906 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.391 -4.069 0.743 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.639 -4.599 2.231 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.265 -4.424 2.063 1.00 0.16 C ATOM 760 CZ TYR A 51 5.390 -4.689 2.801 1.00 0.16 C ATOM 761 OH TYR A 51 5.266 -5.048 4.115 1.00 0.20 O ATOM 0 H TYR A 51 5.510 -0.895 -1.147 1.00 0.10 H new ATOM 0 HA TYR A 51 7.741 -2.825 -1.341 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.751 -3.281 -1.645 1.00 0.11 H new ATOM 0 HB3 TYR A 51 5.999 -4.492 -1.863 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.732 -4.173 0.454 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.504 -3.868 0.160 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.522 -4.808 2.817 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.287 -4.494 2.517 1.00 0.16 H new ATOM 0 HH TYR A 51 4.344 -4.897 4.410 1.00 0.20 H new ATOM 771 N ILE A 52 7.736 -2.454 -3.819 1.00 0.11 N ATOM 772 CA ILE A 52 7.659 -2.339 -5.252 1.00 0.12 C ATOM 773 C ILE A 52 6.878 -3.510 -5.819 1.00 0.15 C ATOM 774 O ILE A 52 6.801 -4.562 -5.193 1.00 0.17 O ATOM 775 CB ILE A 52 9.029 -2.238 -5.919 1.00 0.15 C ATOM 776 CG1 ILE A 52 10.072 -2.986 -5.150 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.443 -0.788 -6.050 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.407 -2.905 -5.835 1.00 0.24 C ATOM 0 H ILE A 52 8.649 -2.715 -3.446 1.00 0.11 H new ATOM 0 HA ILE A 52 7.141 -1.406 -5.472 1.00 0.12 H new ATOM 0 HB ILE A 52 8.945 -2.687 -6.909 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.150 -2.576 -4.143 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.775 -4.030 -5.047 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.421 -0.731 -6.527 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.712 -0.254 -6.657 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.495 -0.334 -5.061 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.147 -3.457 -5.256 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.331 -3.338 -6.833 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.713 -1.862 -5.914 1.00 0.24 H new ATOM 790 N GLU A 53 6.288 -3.313 -6.990 1.00 0.16 N ATOM 791 CA GLU A 53 5.463 -4.321 -7.640 1.00 0.18 C ATOM 792 C GLU A 53 6.223 -5.639 -7.774 1.00 0.20 C ATOM 793 O GLU A 53 5.631 -6.714 -7.875 1.00 0.24 O ATOM 794 CB GLU A 53 5.004 -3.816 -9.006 1.00 0.19 C ATOM 795 CG GLU A 53 4.120 -4.805 -9.730 1.00 0.22 C ATOM 796 CD GLU A 53 3.547 -4.249 -11.020 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.775 -3.265 -10.959 1.00 0.34 O ATOM 798 OE2 GLU A 53 3.862 -4.796 -12.097 1.00 0.39 O ATOM 0 H GLU A 53 6.369 -2.444 -7.518 1.00 0.16 H new ATOM 0 HA GLU A 53 4.584 -4.505 -7.023 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.463 -2.878 -8.879 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.878 -3.599 -9.620 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.695 -5.704 -9.951 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.302 -5.103 -9.073 1.00 0.22 H new ATOM 805 N LYS A 54 7.543 -5.528 -7.757 1.00 0.20 N ATOM 806 CA LYS A 54 8.423 -6.679 -7.725 1.00 0.24 C ATOM 807 C LYS A 54 8.089 -7.602 -6.555 1.00 0.25 C ATOM 808 O LYS A 54 8.104 -8.826 -6.680 1.00 0.30 O ATOM 809 CB LYS A 54 9.880 -6.210 -7.583 1.00 0.26 C ATOM 810 CG LYS A 54 10.543 -5.848 -8.883 1.00 0.79 C ATOM 811 CD LYS A 54 11.912 -5.254 -8.634 1.00 1.67 C ATOM 812 CE LYS A 54 12.612 -4.970 -9.935 1.00 2.57 C ATOM 813 NZ LYS A 54 13.068 -6.221 -10.600 1.00 3.37 N ATOM 0 H LYS A 54 8.032 -4.633 -7.765 1.00 0.20 H new ATOM 0 HA LYS A 54 8.287 -7.230 -8.656 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.908 -5.344 -6.921 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.458 -6.999 -7.101 1.00 0.26 H new ATOM 0 HG2 LYS A 54 10.634 -6.735 -9.511 1.00 0.79 H new ATOM 0 HG3 LYS A 54 9.924 -5.134 -9.427 1.00 0.79 H new ATOM 0 HD2 LYS A 54 11.815 -4.333 -8.059 1.00 1.67 H new ATOM 0 HD3 LYS A 54 12.510 -5.942 -8.036 1.00 1.67 H new ATOM 0 HE2 LYS A 54 11.939 -4.429 -10.600 1.00 2.57 H new ATOM 0 HE3 LYS A 54 13.469 -4.322 -9.753 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 13.702 -5.983 -11.389 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 13.577 -6.814 -9.913 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 12.244 -6.741 -10.963 1.00 3.37 H new ATOM 827 N GLU A 55 7.771 -6.991 -5.428 1.00 0.22 N ATOM 828 CA GLU A 55 7.681 -7.696 -4.165 1.00 0.26 C ATOM 829 C GLU A 55 6.238 -8.040 -3.783 1.00 0.24 C ATOM 830 O GLU A 55 6.007 -8.911 -2.946 1.00 0.38 O ATOM 831 CB GLU A 55 8.341 -6.836 -3.097 1.00 0.28 C ATOM 832 CG GLU A 55 9.714 -6.337 -3.513 1.00 0.27 C ATOM 833 CD GLU A 55 10.722 -7.458 -3.654 1.00 0.32 C ATOM 834 OE1 GLU A 55 11.256 -7.907 -2.620 1.00 0.71 O ATOM 835 OE2 GLU A 55 10.988 -7.886 -4.798 1.00 0.70 O ATOM 0 H GLU A 55 7.568 -5.993 -5.364 1.00 0.22 H new ATOM 0 HA GLU A 55 8.197 -8.652 -4.257 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.700 -5.982 -2.876 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.432 -7.413 -2.177 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.632 -5.806 -4.461 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.075 -5.619 -2.776 1.00 0.27 H new ATOM 842 N LEU A 56 5.267 -7.362 -4.388 1.00 0.15 N ATOM 843 CA LEU A 56 3.867 -7.678 -4.154 1.00 0.14 C ATOM 844 C LEU A 56 3.450 -8.902 -4.945 1.00 0.16 C ATOM 845 O LEU A 56 4.195 -9.413 -5.784 1.00 0.22 O ATOM 846 CB LEU A 56 2.947 -6.528 -4.569 1.00 0.14 C ATOM 847 CG LEU A 56 2.878 -5.323 -3.635 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.171 -4.562 -3.695 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.745 -4.412 -4.053 1.00 0.15 C ATOM 0 H LEU A 56 5.426 -6.594 -5.041 1.00 0.15 H new ATOM 0 HA LEU A 56 3.770 -7.859 -3.084 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.265 -6.177 -5.551 1.00 0.14 H new ATOM 0 HB3 LEU A 56 1.939 -6.926 -4.684 1.00 0.14 H new ATOM 0 HG LEU A 56 2.705 -5.673 -2.617 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.119 -3.702 -3.027 1.00 0.12 H new ATOM 0 HD12 LEU A 56 4.990 -5.212 -3.387 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.344 -4.219 -4.715 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.702 -3.554 -3.382 1.00 0.15 H new ATOM 0 HD22 LEU A 56 1.913 -4.067 -5.073 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.803 -4.958 -4.005 1.00 0.15 H new ATOM 861 N ASP A 57 2.241 -9.343 -4.677 1.00 0.16 N ATOM 862 CA ASP A 57 1.612 -10.400 -5.444 1.00 0.19 C ATOM 863 C ASP A 57 0.196 -9.981 -5.799 1.00 0.21 C ATOM 864 O ASP A 57 -0.624 -9.727 -4.916 1.00 0.24 O ATOM 865 CB ASP A 57 1.584 -11.713 -4.655 1.00 0.22 C ATOM 866 CG ASP A 57 0.983 -12.855 -5.449 1.00 0.28 C ATOM 867 OD1 ASP A 57 0.848 -12.719 -6.681 1.00 0.98 O ATOM 868 OD2 ASP A 57 0.643 -13.892 -4.844 1.00 0.80 O ATOM 0 H ASP A 57 1.663 -8.979 -3.919 1.00 0.16 H new ATOM 0 HA ASP A 57 2.191 -10.566 -6.352 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.599 -11.976 -4.358 1.00 0.22 H new ATOM 0 HB3 ASP A 57 1.011 -11.570 -3.739 1.00 0.22 H new ATOM 873 N PHE A 58 -0.081 -9.879 -7.087 1.00 0.21 N ATOM 874 CA PHE A 58 -1.408 -9.515 -7.553 1.00 0.23 C ATOM 875 C PHE A 58 -2.298 -10.743 -7.679 1.00 0.28 C ATOM 876 O PHE A 58 -3.449 -10.650 -8.108 1.00 0.35 O ATOM 877 CB PHE A 58 -1.325 -8.756 -8.870 1.00 0.27 C ATOM 878 CG PHE A 58 -0.999 -7.302 -8.687 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.306 -6.879 -8.482 1.00 0.25 C ATOM 880 CD2 PHE A 58 -2.006 -6.356 -8.730 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.598 -5.537 -8.327 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.721 -5.011 -8.573 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.417 -4.603 -8.376 1.00 0.31 C ATOM 0 H PHE A 58 0.597 -10.044 -7.831 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.860 -8.855 -6.813 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.566 -9.217 -9.502 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.275 -8.847 -9.396 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.103 -7.607 -8.443 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -3.027 -6.670 -8.888 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.618 -5.220 -8.168 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.517 -4.282 -8.605 1.00 0.33 H new ATOM 0 HZ PHE A 58 -0.191 -3.553 -8.260 1.00 0.31 H new ATOM 893 N SER A 59 -1.759 -11.892 -7.294 1.00 0.27 N ATOM 894 CA SER A 59 -2.555 -13.097 -7.147 1.00 0.33 C ATOM 895 C SER A 59 -3.051 -13.148 -5.711 1.00 0.33 C ATOM 896 O SER A 59 -3.773 -14.060 -5.294 1.00 0.38 O ATOM 897 CB SER A 59 -1.742 -14.335 -7.493 1.00 0.38 C ATOM 898 OG SER A 59 -2.546 -15.502 -7.471 1.00 1.29 O ATOM 0 H SER A 59 -0.769 -12.012 -7.078 1.00 0.27 H new ATOM 0 HA SER A 59 -3.400 -13.078 -7.835 1.00 0.33 H new ATOM 0 HB2 SER A 59 -1.297 -14.216 -8.481 1.00 0.38 H new ATOM 0 HB3 SER A 59 -0.921 -14.443 -6.784 1.00 0.38 H new ATOM 0 HG SER A 59 -3.192 -15.441 -6.736 1.00 1.29 H new ATOM 904 N LYS A 60 -2.639 -12.133 -4.966 1.00 0.29 N ATOM 905 CA LYS A 60 -3.069 -11.916 -3.616 1.00 0.29 C ATOM 906 C LYS A 60 -4.059 -10.770 -3.583 1.00 0.29 C ATOM 907 O LYS A 60 -3.767 -9.681 -4.078 1.00 0.30 O ATOM 908 CB LYS A 60 -1.864 -11.530 -2.758 1.00 0.31 C ATOM 909 CG LYS A 60 -1.129 -12.694 -2.125 1.00 0.46 C ATOM 910 CD LYS A 60 -1.359 -12.732 -0.627 1.00 0.97 C ATOM 911 CE LYS A 60 -2.838 -12.845 -0.308 1.00 1.43 C ATOM 912 NZ LYS A 60 -3.108 -12.752 1.150 1.00 2.40 N ATOM 0 H LYS A 60 -1.982 -11.429 -5.302 1.00 0.29 H new ATOM 0 HA LYS A 60 -3.531 -12.827 -3.235 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -1.162 -10.969 -3.375 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.200 -10.859 -1.968 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -1.467 -13.629 -2.572 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -0.062 -12.610 -2.331 1.00 0.46 H new ATOM 0 HD2 LYS A 60 -0.824 -13.578 -0.194 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -0.952 -11.830 -0.170 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -3.381 -12.055 -0.827 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -3.218 -13.794 -0.686 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -4.131 -12.834 1.320 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 -2.612 -13.521 1.645 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -2.770 -11.836 1.508 1.00 2.40 H new ATOM 926 N SER A 61 -5.221 -10.996 -3.010 1.00 0.33 N ATOM 927 CA SER A 61 -6.091 -9.893 -2.705 1.00 0.36 C ATOM 928 C SER A 61 -5.715 -9.375 -1.335 1.00 0.40 C ATOM 929 O SER A 61 -5.843 -10.075 -0.331 1.00 0.49 O ATOM 930 CB SER A 61 -7.564 -10.277 -2.760 1.00 0.45 C ATOM 931 OG SER A 61 -7.836 -11.462 -2.027 1.00 1.19 O ATOM 0 H SER A 61 -5.576 -11.917 -2.752 1.00 0.33 H new ATOM 0 HA SER A 61 -5.961 -9.117 -3.459 1.00 0.36 H new ATOM 0 HB2 SER A 61 -8.166 -9.460 -2.363 1.00 0.45 H new ATOM 0 HB3 SER A 61 -7.863 -10.417 -3.799 1.00 0.45 H new ATOM 0 HG SER A 61 -7.349 -11.440 -1.177 1.00 1.19 H new ATOM 937 N GLY A 62 -5.243 -8.158 -1.306 1.00 0.42 N ATOM 938 CA GLY A 62 -4.602 -7.652 -0.121 1.00 0.53 C ATOM 939 C GLY A 62 -5.514 -6.818 0.733 1.00 0.36 C ATOM 940 O GLY A 62 -5.937 -5.730 0.339 1.00 0.28 O ATOM 0 H GLY A 62 -5.289 -7.501 -2.085 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -4.228 -8.489 0.468 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.738 -7.054 -0.410 1.00 0.53 H new ATOM 944 N ASP A 63 -5.806 -7.331 1.910 1.00 0.39 N ATOM 945 CA ASP A 63 -6.585 -6.614 2.908 1.00 0.35 C ATOM 946 C ASP A 63 -5.673 -5.673 3.688 1.00 0.28 C ATOM 947 O ASP A 63 -5.883 -5.406 4.873 1.00 0.36 O ATOM 948 CB ASP A 63 -7.241 -7.616 3.865 1.00 0.53 C ATOM 949 CG ASP A 63 -6.220 -8.528 4.533 1.00 1.59 C ATOM 950 OD1 ASP A 63 -5.535 -9.296 3.827 1.00 2.10 O ATOM 951 OD2 ASP A 63 -6.095 -8.479 5.778 1.00 2.41 O ATOM 0 H ASP A 63 -5.510 -8.261 2.206 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.362 -6.031 2.413 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -7.797 -7.074 4.630 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -7.962 -8.222 3.316 1.00 0.53 H new ATOM 956 N GLY A 64 -4.663 -5.172 2.999 1.00 0.19 N ATOM 957 CA GLY A 64 -3.661 -4.340 3.628 1.00 0.17 C ATOM 958 C GLY A 64 -3.481 -3.043 2.874 1.00 0.14 C ATOM 959 O GLY A 64 -2.455 -2.388 2.954 1.00 0.20 O ATOM 0 H GLY A 64 -4.518 -5.329 2.002 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -3.952 -4.129 4.657 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.712 -4.875 3.669 1.00 0.17 H new ATOM 963 N CYS A 65 -4.483 -2.687 2.111 1.00 0.16 N ATOM 964 CA CYS A 65 -4.499 -1.417 1.416 1.00 0.19 C ATOM 965 C CYS A 65 -5.392 -0.485 2.199 1.00 0.20 C ATOM 966 O CYS A 65 -6.048 -0.913 3.138 1.00 0.28 O ATOM 967 CB CYS A 65 -5.056 -1.613 0.009 1.00 0.20 C ATOM 968 SG CYS A 65 -4.649 -3.222 -0.706 1.00 0.30 S ATOM 0 H CYS A 65 -5.309 -3.264 1.952 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.494 -1.004 1.335 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.140 -1.499 0.036 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.669 -0.827 -0.640 1.00 0.20 H new ATOM 0 HG CYS A 65 -5.188 -4.164 0.010 1.00 0.30 H new ATOM 974 N VAL A 66 -5.416 0.770 1.840 1.00 0.23 N ATOM 975 CA VAL A 66 -6.351 1.690 2.448 1.00 0.20 C ATOM 976 C VAL A 66 -7.233 2.272 1.371 1.00 0.20 C ATOM 977 O VAL A 66 -6.818 2.405 0.219 1.00 0.25 O ATOM 978 CB VAL A 66 -5.637 2.813 3.240 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.420 3.282 2.483 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.551 3.994 3.524 1.00 0.20 C ATOM 0 H VAL A 66 -4.805 1.181 1.135 1.00 0.23 H new ATOM 0 HA VAL A 66 -6.957 1.141 3.169 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.340 2.392 4.200 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.923 4.072 3.046 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.733 2.447 2.346 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.723 3.667 1.509 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -6.002 4.753 4.081 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.902 4.417 2.583 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.406 3.659 4.112 1.00 0.20 H new ATOM 990 N ASP A 67 -8.446 2.585 1.755 1.00 0.18 N ATOM 991 CA ASP A 67 -9.427 3.149 0.851 1.00 0.23 C ATOM 992 C ASP A 67 -9.109 4.639 0.707 1.00 0.24 C ATOM 993 O ASP A 67 -7.975 5.047 0.957 1.00 0.26 O ATOM 994 CB ASP A 67 -10.823 2.895 1.442 1.00 0.29 C ATOM 995 CG ASP A 67 -11.973 3.210 0.498 1.00 0.85 C ATOM 996 OD1 ASP A 67 -12.366 2.314 -0.284 1.00 1.49 O ATOM 997 OD2 ASP A 67 -12.465 4.361 0.518 1.00 1.04 O ATOM 0 H ASP A 67 -8.786 2.456 2.708 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.402 2.695 -0.140 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.892 1.850 1.743 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -10.936 3.494 2.345 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.058 5.460 0.315 1.00 0.28 N ATOM 1003 CA ASP A 68 -9.799 6.896 0.317 1.00 0.32 C ATOM 1004 C ASP A 68 -9.832 7.384 1.750 1.00 0.33 C ATOM 1005 O ASP A 68 -9.129 8.304 2.122 1.00 0.73 O ATOM 1006 CB ASP A 68 -10.766 7.709 -0.554 1.00 0.45 C ATOM 1007 CG ASP A 68 -10.470 7.593 -2.034 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -9.287 7.711 -2.420 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -11.425 7.409 -2.820 1.00 1.41 O ATOM 0 H ASP A 68 -10.987 5.179 -0.000 1.00 0.28 H new ATOM 0 HA ASP A 68 -8.817 7.052 -0.130 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -11.786 7.373 -0.366 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -10.717 8.758 -0.260 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.633 6.732 2.567 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.602 6.970 3.997 1.00 0.28 C ATOM 1016 C CYS A 69 -9.626 5.982 4.616 1.00 0.24 C ATOM 1017 O CYS A 69 -9.464 4.880 4.091 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.997 6.780 4.595 1.00 0.40 C ATOM 1019 SG CYS A 69 -12.062 6.839 6.403 1.00 1.49 S ATOM 0 H CYS A 69 -11.313 6.034 2.267 1.00 0.32 H new ATOM 0 HA CYS A 69 -10.284 7.992 4.202 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.656 7.551 4.196 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.392 5.820 4.262 1.00 0.40 H new ATOM 0 HG CYS A 69 -13.289 6.669 6.799 1.00 1.49 H new ATOM 1025 N GLY A 70 -8.964 6.363 5.706 1.00 0.25 N ATOM 1026 CA GLY A 70 -8.009 5.462 6.327 1.00 0.25 C ATOM 1027 C GLY A 70 -8.683 4.297 7.021 1.00 0.28 C ATOM 1028 O GLY A 70 -8.756 4.228 8.249 1.00 0.36 O ATOM 0 H GLY A 70 -9.070 7.268 6.165 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.324 5.083 5.568 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.409 6.015 7.050 1.00 0.25 H new ATOM 1032 N SER A 71 -9.187 3.400 6.204 1.00 0.25 N ATOM 1033 CA SER A 71 -9.658 2.104 6.617 1.00 0.28 C ATOM 1034 C SER A 71 -9.152 1.109 5.588 1.00 0.25 C ATOM 1035 O SER A 71 -9.156 1.411 4.391 1.00 0.24 O ATOM 1036 CB SER A 71 -11.181 2.103 6.675 1.00 0.34 C ATOM 1037 OG SER A 71 -11.650 3.103 7.566 1.00 1.10 O ATOM 0 H SER A 71 -9.282 3.561 5.201 1.00 0.25 H new ATOM 0 HA SER A 71 -9.295 1.842 7.611 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.588 2.277 5.679 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.537 1.125 6.998 1.00 0.34 H new ATOM 0 HG SER A 71 -12.630 3.088 7.588 1.00 1.10 H new ATOM 1043 N MET A 72 -8.688 -0.040 6.030 1.00 0.32 N ATOM 1044 CA MET A 72 -8.045 -0.970 5.119 1.00 0.30 C ATOM 1045 C MET A 72 -9.032 -1.568 4.127 1.00 0.30 C ATOM 1046 O MET A 72 -10.016 -2.210 4.505 1.00 0.46 O ATOM 1047 CB MET A 72 -7.312 -2.075 5.866 1.00 0.36 C ATOM 1048 CG MET A 72 -6.226 -1.562 6.800 1.00 0.85 C ATOM 1049 SD MET A 72 -5.380 -2.886 7.690 1.00 1.03 S ATOM 1050 CE MET A 72 -6.717 -3.529 8.695 1.00 1.68 C ATOM 0 H MET A 72 -8.741 -0.352 7.000 1.00 0.32 H new ATOM 0 HA MET A 72 -7.310 -0.393 4.557 1.00 0.30 H new ATOM 0 HB2 MET A 72 -8.034 -2.652 6.444 1.00 0.36 H new ATOM 0 HB3 MET A 72 -6.865 -2.757 5.142 1.00 0.36 H new ATOM 0 HG2 MET A 72 -5.496 -0.995 6.223 1.00 0.85 H new ATOM 0 HG3 MET A 72 -6.668 -0.873 7.519 1.00 0.85 H new ATOM 0 HE1 MET A 72 -6.305 -4.103 9.525 1.00 1.68 H new ATOM 0 HE2 MET A 72 -7.310 -2.701 9.085 1.00 1.68 H new ATOM 0 HE3 MET A 72 -7.351 -4.175 8.087 1.00 1.68 H new ATOM 1060 N THR A 73 -8.751 -1.339 2.853 1.00 0.21 N ATOM 1061 CA THR A 73 -9.556 -1.874 1.776 1.00 0.19 C ATOM 1062 C THR A 73 -8.842 -3.069 1.148 1.00 0.18 C ATOM 1063 O THR A 73 -7.611 -3.166 1.196 1.00 0.19 O ATOM 1064 CB THR A 73 -9.854 -0.802 0.699 1.00 0.21 C ATOM 1065 OG1 THR A 73 -10.813 -1.302 -0.241 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.591 -0.397 -0.042 1.00 0.22 C ATOM 0 H THR A 73 -7.959 -0.777 2.542 1.00 0.21 H new ATOM 0 HA THR A 73 -10.511 -2.195 2.192 1.00 0.19 H new ATOM 0 HB THR A 73 -10.255 0.075 1.207 1.00 0.21 H new ATOM 0 HG1 THR A 73 -10.996 -0.617 -0.917 1.00 0.26 H new ATOM 0 HG21 THR A 73 -8.834 0.357 -0.791 1.00 0.22 H new ATOM 0 HG22 THR A 73 -7.870 0.014 0.665 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.161 -1.270 -0.532 1.00 0.22 H new ATOM 1074 N SER A 74 -9.609 -3.988 0.586 1.00 0.27 N ATOM 1075 CA SER A 74 -9.049 -5.180 -0.013 1.00 0.30 C ATOM 1076 C SER A 74 -8.777 -4.968 -1.502 1.00 0.35 C ATOM 1077 O SER A 74 -9.705 -4.861 -2.307 1.00 0.47 O ATOM 1078 CB SER A 74 -10.008 -6.351 0.190 1.00 0.37 C ATOM 1079 OG SER A 74 -11.299 -6.043 -0.315 1.00 1.25 O ATOM 0 H SER A 74 -10.626 -3.927 0.534 1.00 0.27 H new ATOM 0 HA SER A 74 -8.099 -5.402 0.472 1.00 0.30 H new ATOM 0 HB2 SER A 74 -9.618 -7.236 -0.312 1.00 0.37 H new ATOM 0 HB3 SER A 74 -10.076 -6.591 1.251 1.00 0.37 H new ATOM 0 HG SER A 74 -11.212 -5.500 -1.126 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.508 -4.920 -1.861 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.111 -4.713 -3.250 1.00 0.35 C ATOM 1087 C CYS A 75 -5.917 -5.588 -3.585 1.00 0.33 C ATOM 1088 O CYS A 75 -5.130 -5.929 -2.710 1.00 0.43 O ATOM 1089 CB CYS A 75 -6.793 -3.240 -3.500 1.00 0.39 C ATOM 1090 SG CYS A 75 -6.414 -2.844 -5.222 1.00 1.40 S ATOM 0 H CYS A 75 -6.728 -5.021 -1.211 1.00 0.30 H new ATOM 0 HA CYS A 75 -7.939 -4.995 -3.900 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -7.643 -2.637 -3.179 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -5.945 -2.953 -2.878 1.00 0.39 H new ATOM 0 HG CYS A 75 -6.161 -1.573 -5.330 1.00 1.40 H new ATOM 1096 N ARG A 76 -5.782 -5.953 -4.853 1.00 0.27 N ATOM 1097 CA ARG A 76 -4.795 -6.945 -5.250 1.00 0.26 C ATOM 1098 C ARG A 76 -3.404 -6.359 -5.321 1.00 0.22 C ATOM 1099 O ARG A 76 -3.154 -5.406 -6.052 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.159 -7.597 -6.575 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.160 -8.706 -6.397 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.503 -8.138 -6.061 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.287 -7.839 -7.258 1.00 1.01 N ATOM 1104 CZ ARG A 76 -8.963 -6.707 -7.451 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -9.006 -5.778 -6.496 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -9.614 -6.512 -8.593 1.00 1.87 N ATOM 0 H ARG A 76 -6.341 -5.579 -5.620 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.798 -7.713 -4.477 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.567 -6.845 -7.250 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.258 -7.992 -7.045 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.225 -9.298 -7.310 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -5.832 -9.378 -5.604 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.050 -8.845 -5.437 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.375 -7.228 -5.475 1.00 0.79 H new ATOM 0 HE ARG A 76 -8.319 -8.544 -7.995 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -8.520 -5.932 -5.613 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -9.525 -4.913 -6.649 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -9.595 -7.228 -9.319 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -10.132 -5.646 -8.743 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.521 -6.911 -4.519 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.147 -6.487 -4.516 1.00 0.19 C ATOM 1122 C GLY A 77 -0.542 -6.656 -3.159 1.00 0.24 C ATOM 1123 O GLY A 77 -0.331 -5.692 -2.457 1.00 0.59 O ATOM 0 H GLY A 77 -2.736 -7.658 -3.859 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.581 -7.066 -5.246 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.083 -5.442 -4.820 1.00 0.19 H new ATOM 1127 N SER A 78 -0.260 -7.866 -2.775 1.00 0.20 N ATOM 1128 CA SER A 78 0.174 -8.105 -1.413 1.00 0.17 C ATOM 1129 C SER A 78 1.320 -9.077 -1.328 1.00 0.20 C ATOM 1130 O SER A 78 1.436 -10.009 -2.116 1.00 0.26 O ATOM 1131 CB SER A 78 -1.003 -8.594 -0.577 1.00 0.20 C ATOM 1132 OG SER A 78 -1.519 -7.561 0.247 1.00 0.73 O ATOM 0 H SER A 78 -0.318 -8.695 -3.366 1.00 0.20 H new ATOM 0 HA SER A 78 0.541 -7.158 -1.017 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.790 -8.963 -1.235 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.687 -9.432 0.044 1.00 0.20 H new ATOM 0 HG SER A 78 -1.212 -7.694 1.168 1.00 0.73 H new ATOM 1138 N VAL A 79 2.156 -8.828 -0.342 1.00 0.18 N ATOM 1139 CA VAL A 79 3.366 -9.580 -0.138 1.00 0.20 C ATOM 1140 C VAL A 79 3.067 -10.994 0.359 1.00 0.27 C ATOM 1141 O VAL A 79 2.781 -11.207 1.538 1.00 0.33 O ATOM 1142 CB VAL A 79 4.272 -8.840 0.858 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.563 -9.596 1.101 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.556 -7.433 0.357 1.00 0.25 C ATOM 0 H VAL A 79 2.009 -8.089 0.345 1.00 0.18 H new ATOM 0 HA VAL A 79 3.880 -9.671 -1.095 1.00 0.20 H new ATOM 0 HB VAL A 79 3.748 -8.776 1.812 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.180 -9.044 1.810 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.336 -10.582 1.507 1.00 0.31 H new ATOM 0 HG13 VAL A 79 6.102 -9.707 0.160 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.199 -6.916 1.069 1.00 0.25 H new ATOM 0 HG22 VAL A 79 5.055 -7.485 -0.611 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.618 -6.888 0.253 1.00 0.25 H new ATOM 1154 N SER A 80 3.111 -11.950 -0.559 1.00 0.33 N ATOM 1155 CA SER A 80 2.870 -13.344 -0.230 1.00 0.41 C ATOM 1156 C SER A 80 4.073 -13.933 0.502 1.00 0.43 C ATOM 1157 O SER A 80 3.967 -14.350 1.658 1.00 0.97 O ATOM 1158 CB SER A 80 2.569 -14.126 -1.508 1.00 0.48 C ATOM 1159 OG SER A 80 3.555 -13.876 -2.497 1.00 0.96 O ATOM 0 H SER A 80 3.313 -11.781 -1.544 1.00 0.33 H new ATOM 0 HA SER A 80 2.008 -13.415 0.434 1.00 0.41 H new ATOM 0 HB2 SER A 80 2.532 -15.193 -1.287 1.00 0.48 H new ATOM 0 HB3 SER A 80 1.587 -13.845 -1.888 1.00 0.48 H new ATOM 0 HG SER A 80 4.179 -14.630 -2.534 1.00 0.96 H new ATOM 1165 N GLY A 81 5.211 -13.960 -0.177 1.00 0.56 N ATOM 1166 CA GLY A 81 6.449 -14.370 0.456 1.00 0.58 C ATOM 1167 C GLY A 81 7.254 -13.169 0.884 1.00 0.56 C ATOM 1168 O GLY A 81 6.967 -12.064 0.446 1.00 0.86 O ATOM 0 H GLY A 81 5.299 -13.704 -1.160 1.00 0.56 H new ATOM 0 HA2 GLY A 81 6.231 -14.995 1.322 1.00 0.58 H new ATOM 0 HA3 GLY A 81 7.033 -14.977 -0.236 1.00 0.58 H new ATOM 1172 N PRO A 82 8.274 -13.368 1.724 1.00 0.46 N ATOM 1173 CA PRO A 82 9.124 -12.293 2.255 1.00 0.41 C ATOM 1174 C PRO A 82 9.560 -11.265 1.208 1.00 0.41 C ATOM 1175 O PRO A 82 10.228 -11.595 0.226 1.00 0.57 O ATOM 1176 CB PRO A 82 10.342 -13.041 2.791 1.00 0.48 C ATOM 1177 CG PRO A 82 10.185 -14.447 2.311 1.00 0.61 C ATOM 1178 CD PRO A 82 8.715 -14.667 2.220 1.00 0.70 C ATOM 0 HA PRO A 82 8.585 -11.705 2.997 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.268 -12.600 2.421 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.381 -12.999 3.879 1.00 0.48 H new ATOM 0 HG2 PRO A 82 10.665 -14.588 1.343 1.00 0.61 H new ATOM 0 HG3 PRO A 82 10.647 -15.153 3.002 1.00 0.61 H new ATOM 0 HD2 PRO A 82 8.460 -15.478 1.538 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.273 -14.912 3.186 1.00 0.70 H new ATOM 1186 N SER A 83 9.185 -10.017 1.444 1.00 0.36 N ATOM 1187 CA SER A 83 9.566 -8.913 0.581 1.00 0.37 C ATOM 1188 C SER A 83 10.946 -8.409 0.966 1.00 0.35 C ATOM 1189 O SER A 83 11.239 -8.207 2.146 1.00 0.45 O ATOM 1190 CB SER A 83 8.547 -7.774 0.702 1.00 0.44 C ATOM 1191 OG SER A 83 8.955 -6.630 -0.032 1.00 1.45 O ATOM 0 H SER A 83 8.608 -9.743 2.239 1.00 0.36 H new ATOM 0 HA SER A 83 9.587 -9.263 -0.451 1.00 0.37 H new ATOM 0 HB2 SER A 83 7.576 -8.113 0.340 1.00 0.44 H new ATOM 0 HB3 SER A 83 8.420 -7.508 1.751 1.00 0.44 H new ATOM 0 HG SER A 83 8.284 -5.922 0.066 1.00 1.45 H new ATOM 1197 N THR A 84 11.795 -8.203 -0.024 1.00 0.33 N ATOM 1198 CA THR A 84 13.122 -7.699 0.231 1.00 0.34 C ATOM 1199 C THR A 84 13.221 -6.246 -0.208 1.00 0.23 C ATOM 1200 O THR A 84 13.661 -5.390 0.559 1.00 0.21 O ATOM 1201 CB THR A 84 14.188 -8.521 -0.494 1.00 0.46 C ATOM 1202 OG1 THR A 84 13.786 -9.900 -0.551 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.510 -8.407 0.246 1.00 0.67 C ATOM 0 H THR A 84 11.586 -8.378 -1.007 1.00 0.33 H new ATOM 0 HA THR A 84 13.302 -7.777 1.303 1.00 0.34 H new ATOM 0 HB THR A 84 14.305 -8.140 -1.508 1.00 0.46 H new ATOM 0 HG1 THR A 84 14.472 -10.422 -1.018 1.00 0.91 H new ATOM 0 HG21 THR A 84 16.269 -8.994 -0.272 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.819 -7.362 0.280 1.00 0.67 H new ATOM 0 HG23 THR A 84 15.392 -8.783 1.262 1.00 0.67 H new ATOM 1211 N SER A 85 12.780 -5.969 -1.429 1.00 0.21 N ATOM 1212 CA SER A 85 12.798 -4.616 -1.951 1.00 0.25 C ATOM 1213 C SER A 85 11.660 -3.807 -1.338 1.00 0.29 C ATOM 1214 O SER A 85 10.583 -3.686 -1.922 1.00 0.61 O ATOM 1215 CB SER A 85 12.681 -4.633 -3.480 1.00 0.50 C ATOM 1216 OG SER A 85 13.692 -5.449 -4.052 1.00 1.76 O ATOM 0 H SER A 85 12.406 -6.666 -2.073 1.00 0.21 H new ATOM 0 HA SER A 85 13.745 -4.147 -1.684 1.00 0.25 H new ATOM 0 HB2 SER A 85 11.699 -5.006 -3.770 1.00 0.50 H new ATOM 0 HB3 SER A 85 12.764 -3.618 -3.867 1.00 0.50 H new ATOM 0 HG SER A 85 13.507 -5.579 -5.006 1.00 1.76 H new ATOM 1222 N HIS A 86 11.897 -3.254 -0.154 1.00 0.19 N ATOM 1223 CA HIS A 86 10.836 -2.582 0.576 1.00 0.20 C ATOM 1224 C HIS A 86 11.384 -1.623 1.626 1.00 0.20 C ATOM 1225 O HIS A 86 12.527 -1.746 2.064 1.00 0.25 O ATOM 1226 CB HIS A 86 9.923 -3.613 1.247 1.00 0.26 C ATOM 1227 CG HIS A 86 10.509 -4.252 2.474 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.676 -4.987 2.465 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.089 -4.239 3.761 1.00 0.50 C ATOM 1230 CE1 HIS A 86 11.948 -5.394 3.690 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.002 -4.952 4.493 1.00 0.44 N ATOM 0 H HIS A 86 12.803 -3.258 0.314 1.00 0.19 H new ATOM 0 HA HIS A 86 10.265 -1.997 -0.145 1.00 0.20 H new ATOM 0 HB2 HIS A 86 8.984 -3.129 1.517 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.683 -4.393 0.525 1.00 0.26 H new ATOM 0 HD2 HIS A 86 9.200 -3.757 4.140 1.00 0.50 H new ATOM 0 HE1 HIS A 86 12.801 -5.988 3.984 1.00 0.30 H new ATOM 0 HE2 HIS A 86 10.956 -5.114 5.499 1.00 0.44 H new ATOM 1240 N LEU A 87 10.541 -0.685 2.038 1.00 0.19 N ATOM 1241 CA LEU A 87 10.886 0.274 3.079 1.00 0.19 C ATOM 1242 C LEU A 87 9.784 0.322 4.126 1.00 0.18 C ATOM 1243 O LEU A 87 8.646 0.654 3.811 1.00 0.18 O ATOM 1244 CB LEU A 87 11.085 1.671 2.478 1.00 0.21 C ATOM 1245 CG LEU A 87 12.270 1.792 1.514 1.00 0.23 C ATOM 1246 CD1 LEU A 87 11.821 1.554 0.081 1.00 0.38 C ATOM 1247 CD2 LEU A 87 12.949 3.144 1.650 1.00 0.58 C ATOM 0 H LEU A 87 9.601 -0.568 1.661 1.00 0.19 H new ATOM 0 HA LEU A 87 11.817 -0.044 3.547 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.175 1.958 1.951 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.221 2.385 3.290 1.00 0.21 H new ATOM 0 HG LEU A 87 12.999 1.025 1.776 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.677 1.644 -0.588 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.396 0.554 -0.006 1.00 0.38 H new ATOM 0 HD13 LEU A 87 11.068 2.293 -0.192 1.00 0.38 H new ATOM 0 HD21 LEU A 87 13.786 3.202 0.954 1.00 0.58 H new ATOM 0 HD22 LEU A 87 12.234 3.935 1.424 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.315 3.266 2.669 1.00 0.58 H new ATOM 1259 N THR A 88 10.103 -0.015 5.365 1.00 0.17 N ATOM 1260 CA THR A 88 9.114 0.046 6.425 1.00 0.15 C ATOM 1261 C THR A 88 8.973 1.471 6.918 1.00 0.18 C ATOM 1262 O THR A 88 9.716 1.911 7.794 1.00 0.22 O ATOM 1263 CB THR A 88 9.473 -0.859 7.621 1.00 0.17 C ATOM 1264 OG1 THR A 88 9.834 -2.170 7.159 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.307 -0.973 8.590 1.00 0.18 C ATOM 0 H THR A 88 11.028 -0.330 5.658 1.00 0.17 H new ATOM 0 HA THR A 88 8.175 -0.311 6.001 1.00 0.15 H new ATOM 0 HB THR A 88 10.318 -0.406 8.140 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.062 -2.736 7.926 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.588 -1.617 9.423 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.049 0.017 8.967 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.447 -1.401 8.075 1.00 0.18 H new ATOM 1273 N ARG A 89 8.041 2.204 6.334 1.00 0.19 N ATOM 1274 CA ARG A 89 7.703 3.515 6.849 1.00 0.25 C ATOM 1275 C ARG A 89 6.216 3.564 7.172 1.00 0.20 C ATOM 1276 O ARG A 89 5.464 4.328 6.577 1.00 0.24 O ATOM 1277 CB ARG A 89 8.039 4.574 5.800 1.00 0.38 C ATOM 1278 CG ARG A 89 9.479 4.551 5.339 1.00 0.33 C ATOM 1279 CD ARG A 89 10.447 5.019 6.416 1.00 1.12 C ATOM 1280 NE ARG A 89 9.816 5.844 7.451 1.00 1.99 N ATOM 1281 CZ ARG A 89 9.758 5.497 8.742 1.00 2.70 C ATOM 1282 NH1 ARG A 89 10.212 4.313 9.138 1.00 2.77 N ATOM 1283 NH2 ARG A 89 9.227 6.325 9.627 1.00 3.65 N ATOM 0 H ARG A 89 7.511 1.916 5.512 1.00 0.19 H new ATOM 0 HA ARG A 89 8.275 3.711 7.756 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.390 4.433 4.936 1.00 0.38 H new ATOM 0 HB3 ARG A 89 7.815 5.559 6.209 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.743 3.538 5.034 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.585 5.186 4.460 1.00 0.33 H new ATOM 0 HD2 ARG A 89 10.904 4.148 6.886 1.00 1.12 H new ATOM 0 HD3 ARG A 89 11.251 5.588 5.949 1.00 1.12 H new ATOM 0 HE ARG A 89 9.398 6.731 7.171 1.00 1.99 H new ATOM 0 HH11 ARG A 89 10.607 3.664 8.457 1.00 2.77 H new ATOM 0 HH12 ARG A 89 10.166 4.053 10.123 1.00 2.77 H new ATOM 0 HH21 ARG A 89 8.862 7.228 9.325 1.00 3.65 H new ATOM 0 HH22 ARG A 89 9.183 6.060 10.611 1.00 3.65 H new ATOM 1297 N PRO A 90 5.788 2.806 8.185 1.00 0.15 N ATOM 1298 CA PRO A 90 4.377 2.694 8.533 1.00 0.14 C ATOM 1299 C PRO A 90 3.853 3.958 9.190 1.00 0.16 C ATOM 1300 O PRO A 90 2.678 4.309 9.050 1.00 0.25 O ATOM 1301 CB PRO A 90 4.319 1.490 9.481 1.00 0.13 C ATOM 1302 CG PRO A 90 5.682 0.875 9.458 1.00 0.14 C ATOM 1303 CD PRO A 90 6.629 1.943 9.014 1.00 0.15 C ATOM 0 HA PRO A 90 3.745 2.560 7.655 1.00 0.14 H new ATOM 0 HB2 PRO A 90 4.050 1.802 10.490 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.564 0.775 9.156 1.00 0.13 H new ATOM 0 HG2 PRO A 90 5.955 0.502 10.445 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.711 0.025 8.777 1.00 0.14 H new ATOM 0 HD2 PRO A 90 7.052 2.484 9.860 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.465 1.531 8.449 1.00 0.15 H new ATOM 1311 N SER A 91 4.741 4.652 9.879 1.00 0.16 N ATOM 1312 CA SER A 91 4.423 5.939 10.468 1.00 0.18 C ATOM 1313 C SER A 91 4.148 6.961 9.372 1.00 0.21 C ATOM 1314 O SER A 91 3.271 7.811 9.500 1.00 0.33 O ATOM 1315 CB SER A 91 5.597 6.403 11.323 1.00 0.27 C ATOM 1316 OG SER A 91 6.070 5.343 12.139 1.00 1.21 O ATOM 0 H SER A 91 5.698 4.341 10.045 1.00 0.16 H new ATOM 0 HA SER A 91 3.533 5.842 11.089 1.00 0.18 H new ATOM 0 HB2 SER A 91 6.402 6.762 10.681 1.00 0.27 H new ATOM 0 HB3 SER A 91 5.290 7.241 11.948 1.00 0.27 H new ATOM 0 HG SER A 91 6.824 5.658 12.680 1.00 1.21 H new ATOM 1322 N GLU A 92 4.887 6.838 8.277 1.00 0.17 N ATOM 1323 CA GLU A 92 4.836 7.814 7.204 1.00 0.20 C ATOM 1324 C GLU A 92 3.685 7.548 6.241 1.00 0.21 C ATOM 1325 O GLU A 92 3.057 8.490 5.760 1.00 0.33 O ATOM 1326 CB GLU A 92 6.164 7.840 6.460 1.00 0.30 C ATOM 1327 CG GLU A 92 7.006 9.061 6.785 1.00 0.99 C ATOM 1328 CD GLU A 92 7.328 9.164 8.258 1.00 1.98 C ATOM 1329 OE1 GLU A 92 8.335 8.569 8.684 1.00 2.78 O ATOM 1330 OE2 GLU A 92 6.575 9.834 8.996 1.00 2.37 O ATOM 0 H GLU A 92 5.532 6.065 8.111 1.00 0.17 H new ATOM 0 HA GLU A 92 4.657 8.791 7.653 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.729 6.941 6.706 1.00 0.30 H new ATOM 0 HB3 GLU A 92 5.973 7.813 5.387 1.00 0.30 H new ATOM 0 HG2 GLU A 92 7.934 9.021 6.215 1.00 0.99 H new ATOM 0 HG3 GLU A 92 6.476 9.959 6.468 1.00 0.99 H new ATOM 1337 N LEU A 93 3.411 6.279 5.948 1.00 0.17 N ATOM 1338 CA LEU A 93 2.260 5.937 5.117 1.00 0.18 C ATOM 1339 C LEU A 93 0.969 6.392 5.788 1.00 0.17 C ATOM 1340 O LEU A 93 0.192 7.151 5.214 1.00 0.19 O ATOM 1341 CB LEU A 93 2.182 4.430 4.830 1.00 0.19 C ATOM 1342 CG LEU A 93 2.989 3.910 3.628 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.728 4.758 2.401 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.476 3.861 3.920 1.00 0.33 C ATOM 0 H LEU A 93 3.961 5.482 6.268 1.00 0.17 H new ATOM 0 HA LEU A 93 2.386 6.455 4.166 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.517 3.897 5.720 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.135 4.167 4.676 1.00 0.19 H new ATOM 0 HG LEU A 93 2.655 2.891 3.435 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.308 4.373 1.563 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.667 4.724 2.154 1.00 0.15 H new ATOM 0 HD13 LEU A 93 3.021 5.789 2.602 1.00 0.15 H new ATOM 0 HD21 LEU A 93 5.007 3.488 3.044 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.833 4.862 4.161 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.659 3.197 4.765 1.00 0.33 H new ATOM 1356 N GLN A 94 0.773 5.985 7.032 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.478 6.267 7.730 1.00 0.18 C ATOM 1358 C GLN A 94 -0.602 7.765 7.967 1.00 0.18 C ATOM 1359 O GLN A 94 -1.689 8.291 8.164 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.543 5.485 9.045 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.814 4.655 9.186 1.00 0.36 C ATOM 1362 CD GLN A 94 -3.072 5.500 9.281 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -3.070 6.579 9.867 1.00 1.81 O ATOM 1364 NE2 GLN A 94 -4.149 5.023 8.679 1.00 0.34 N ATOM 0 H GLN A 94 1.457 5.462 7.579 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.318 5.945 7.115 1.00 0.18 H new ATOM 0 HB2 GLN A 94 0.323 4.826 9.112 1.00 0.17 H new ATOM 0 HB3 GLN A 94 -0.478 6.183 9.879 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.899 3.984 8.331 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -1.736 4.030 10.076 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -4.110 4.122 8.203 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -5.018 5.556 8.691 1.00 0.34 H new ATOM 1373 N ALA A 95 0.530 8.442 7.893 1.00 0.18 N ATOM 1374 CA ALA A 95 0.579 9.886 8.012 1.00 0.19 C ATOM 1375 C ALA A 95 -0.119 10.558 6.847 1.00 0.15 C ATOM 1376 O ALA A 95 -0.891 11.484 7.040 1.00 0.18 O ATOM 1377 CB ALA A 95 2.012 10.344 8.069 1.00 0.21 C ATOM 0 H ALA A 95 1.440 8.005 7.749 1.00 0.18 H new ATOM 0 HA ALA A 95 0.063 10.166 8.930 1.00 0.19 H new ATOM 0 HB1 ALA A 95 2.044 11.430 8.158 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.504 9.894 8.932 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.528 10.040 7.158 1.00 0.21 H new ATOM 1383 N VAL A 96 0.149 10.087 5.632 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.479 10.667 4.464 1.00 0.12 C ATOM 1385 C VAL A 96 -1.895 10.140 4.354 1.00 0.11 C ATOM 1386 O VAL A 96 -2.747 10.783 3.788 1.00 0.11 O ATOM 1387 CB VAL A 96 0.298 10.430 3.135 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.527 9.575 3.357 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.592 9.806 2.069 1.00 0.16 C ATOM 0 H VAL A 96 0.788 9.316 5.439 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.477 11.748 4.607 1.00 0.12 H new ATOM 0 HB VAL A 96 0.621 11.408 2.779 1.00 0.14 H new ATOM 0 HG11 VAL A 96 2.045 9.430 2.409 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.193 10.072 4.062 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.229 8.607 3.760 1.00 0.19 H new ATOM 0 HG21 VAL A 96 -0.016 9.656 1.156 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -0.967 8.846 2.424 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.432 10.469 1.862 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.149 8.970 4.912 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.512 8.528 5.067 1.00 0.11 C ATOM 1401 C ILE A 97 -4.244 9.569 5.885 1.00 0.12 C ATOM 1402 O ILE A 97 -5.110 10.272 5.379 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.583 7.160 5.752 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.273 6.053 4.756 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.944 6.934 6.378 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.542 4.892 5.374 1.00 0.16 C ATOM 0 H ILE A 97 -1.440 8.323 5.258 1.00 0.11 H new ATOM 0 HA ILE A 97 -3.975 8.415 4.087 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.836 7.141 6.546 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.205 5.696 4.317 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.673 6.461 3.943 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.966 5.955 6.857 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.135 7.707 7.123 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.712 6.977 5.605 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.350 4.136 4.613 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.595 5.238 5.789 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.150 4.460 6.169 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.807 9.713 7.126 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.372 10.685 8.057 1.00 0.17 C ATOM 1420 C ASP A 98 -4.381 12.104 7.463 1.00 0.17 C ATOM 1421 O ASP A 98 -5.309 12.876 7.696 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.561 10.651 9.358 1.00 0.21 C ATOM 1423 CG ASP A 98 -4.025 11.676 10.374 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -5.153 11.540 10.889 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -3.271 12.636 10.647 1.00 0.98 O ATOM 0 H ASP A 98 -3.047 9.158 7.520 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.410 10.418 8.257 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -3.631 9.656 9.797 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -2.510 10.825 9.129 1.00 0.21 H new ATOM 1430 N SER A 99 -3.369 12.419 6.665 1.00 0.15 N ATOM 1431 CA SER A 99 -3.209 13.760 6.102 1.00 0.16 C ATOM 1432 C SER A 99 -3.991 13.923 4.795 1.00 0.16 C ATOM 1433 O SER A 99 -4.898 14.756 4.707 1.00 0.20 O ATOM 1434 CB SER A 99 -1.726 14.066 5.884 1.00 0.18 C ATOM 1435 OG SER A 99 -1.534 15.325 5.262 1.00 0.70 O ATOM 0 H SER A 99 -2.640 11.761 6.390 1.00 0.15 H new ATOM 0 HA SER A 99 -3.618 14.474 6.817 1.00 0.16 H new ATOM 0 HB2 SER A 99 -1.207 14.051 6.842 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.280 13.285 5.268 1.00 0.18 H new ATOM 0 HG SER A 99 -0.575 15.487 5.140 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.658 13.112 3.790 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.280 13.193 2.479 1.00 0.16 C ATOM 1443 C ASP A 100 -5.750 12.804 2.516 1.00 0.16 C ATOM 1444 O ASP A 100 -6.444 12.952 1.529 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.530 12.334 1.483 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.515 13.111 0.671 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -2.891 13.654 -0.390 1.00 0.72 O ATOM 1448 OD2 ASP A 100 -1.338 13.190 1.083 1.00 0.57 O ATOM 0 H ASP A 100 -2.949 12.383 3.868 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.229 14.234 2.161 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -3.021 11.531 2.016 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.245 11.865 0.807 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.219 12.273 3.639 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.655 12.063 3.841 1.00 0.16 C ATOM 1455 C LYS A 101 -8.441 13.339 3.565 1.00 0.20 C ATOM 1456 O LYS A 101 -9.612 13.301 3.196 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.921 11.625 5.267 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.167 10.166 5.416 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.542 9.686 6.708 1.00 0.17 C ATOM 1460 CE LYS A 101 -8.448 9.862 7.910 1.00 0.26 C ATOM 1461 NZ LYS A 101 -8.723 11.292 8.233 1.00 1.26 N ATOM 0 H LYS A 101 -5.634 11.980 4.421 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.978 11.289 3.145 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -7.069 11.904 5.887 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.785 12.169 5.648 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.238 9.964 5.419 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.743 9.625 4.570 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.281 8.632 6.609 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.613 10.230 6.879 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -9.392 9.350 7.724 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -7.991 9.382 8.775 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -9.013 11.374 9.229 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -7.863 11.855 8.075 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -9.486 11.646 7.621 1.00 1.26 H new ATOM 1475 N SER A 102 -7.791 14.467 3.761 1.00 0.23 N ATOM 1476 CA SER A 102 -8.392 15.759 3.458 1.00 0.28 C ATOM 1477 C SER A 102 -8.536 15.924 1.941 1.00 0.30 C ATOM 1478 O SER A 102 -9.290 16.769 1.457 1.00 0.38 O ATOM 1479 CB SER A 102 -7.537 16.883 4.045 1.00 0.36 C ATOM 1480 OG SER A 102 -8.256 18.104 4.093 1.00 1.23 O ATOM 0 H SER A 102 -6.842 14.520 4.130 1.00 0.23 H new ATOM 0 HA SER A 102 -9.384 15.809 3.908 1.00 0.28 H new ATOM 0 HB2 SER A 102 -7.212 16.610 5.049 1.00 0.36 H new ATOM 0 HB3 SER A 102 -6.637 17.011 3.443 1.00 0.36 H new ATOM 0 HG SER A 102 -7.686 18.804 4.474 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.805 15.100 1.207 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.863 15.075 -0.248 1.00 0.29 C ATOM 1488 C ASN A 103 -8.781 13.945 -0.702 1.00 0.28 C ATOM 1489 O ASN A 103 -9.463 14.049 -1.721 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.462 14.870 -0.830 1.00 0.33 C ATOM 1491 CG ASN A 103 -6.291 15.524 -2.190 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -5.903 16.685 -2.289 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -6.585 14.783 -3.246 1.00 0.93 N ATOM 0 H ASN A 103 -7.151 14.426 1.605 1.00 0.27 H new ATOM 0 HA ASN A 103 -8.255 16.027 -0.605 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.723 15.277 -0.140 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -6.262 13.802 -0.917 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -6.492 15.173 -4.184 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -6.904 13.822 -3.122 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.786 12.866 0.073 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.617 11.702 -0.197 1.00 0.22 C ATOM 1502 C TYR A 104 -10.037 11.109 1.114 1.00 0.21 C ATOM 1503 O TYR A 104 -9.191 10.799 1.934 1.00 0.20 O ATOM 1504 CB TYR A 104 -8.861 10.596 -0.939 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.541 11.016 -1.536 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.433 11.216 -0.722 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.396 11.197 -2.898 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.218 11.588 -1.250 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.185 11.569 -3.441 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.094 11.762 -2.612 1.00 0.22 C ATOM 1511 OH TYR A 104 -3.883 12.137 -3.145 1.00 0.30 O ATOM 0 H TYR A 104 -8.210 12.775 0.910 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.452 12.041 -0.810 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.684 9.771 -0.249 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.498 10.213 -1.736 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.527 11.077 0.345 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.245 11.045 -3.548 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.368 11.743 -0.602 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.088 11.709 -4.507 1.00 0.27 H new ATOM 0 HH TYR A 104 -3.947 12.153 -4.123 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.317 10.993 1.337 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.810 10.231 2.457 1.00 0.31 C ATOM 1523 C CYS A 105 -13.272 9.896 2.247 1.00 0.45 C ATOM 1524 O CYS A 105 -14.102 10.782 2.024 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.564 10.993 3.764 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.613 10.496 5.152 1.00 0.38 S ATOM 0 H CYS A 105 -12.042 11.417 0.758 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.268 9.288 2.531 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.521 10.862 4.052 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.712 12.057 3.579 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.316 9.281 5.507 1.00 0.38 H new ATOM 1532 N THR A 106 -13.575 8.613 2.291 1.00 0.65 N ATOM 1533 CA THR A 106 -14.927 8.144 2.112 1.00 0.77 C ATOM 1534 C THR A 106 -15.682 8.186 3.431 1.00 0.88 C ATOM 1535 O THR A 106 -15.138 7.839 4.482 1.00 1.26 O ATOM 1536 CB THR A 106 -14.934 6.717 1.528 1.00 1.41 C ATOM 1537 OG1 THR A 106 -13.933 5.914 2.170 1.00 1.84 O ATOM 1538 CG2 THR A 106 -14.676 6.755 0.035 1.00 2.07 C ATOM 0 H THR A 106 -12.892 7.873 2.451 1.00 0.65 H new ATOM 0 HA THR A 106 -15.430 8.804 1.405 1.00 0.77 H new ATOM 0 HB THR A 106 -15.915 6.277 1.707 1.00 1.41 H new ATOM 0 HG1 THR A 106 -13.403 5.448 1.491 1.00 1.84 H new ATOM 0 HG21 THR A 106 -14.684 5.740 -0.362 1.00 2.07 H new ATOM 0 HG22 THR A 106 -15.454 7.342 -0.454 1.00 2.07 H new ATOM 0 HG23 THR A 106 -13.704 7.211 -0.155 1.00 2.07 H new ATOM 1546 N ASP A 107 -16.917 8.660 3.382 1.00 1.33 N ATOM 1547 CA ASP A 107 -17.761 8.715 4.567 1.00 2.02 C ATOM 1548 C ASP A 107 -18.289 7.329 4.886 1.00 2.55 C ATOM 1549 O ASP A 107 -19.456 7.013 4.640 1.00 3.11 O ATOM 1550 CB ASP A 107 -18.906 9.708 4.376 1.00 2.51 C ATOM 1551 CG ASP A 107 -18.430 11.146 4.424 1.00 3.00 C ATOM 1552 OD1 ASP A 107 -18.009 11.667 3.370 1.00 3.25 O ATOM 1553 OD2 ASP A 107 -18.482 11.769 5.509 1.00 3.55 O ATOM 0 H ASP A 107 -17.359 9.013 2.533 1.00 1.33 H new ATOM 0 HA ASP A 107 -17.163 9.063 5.409 1.00 2.02 H new ATOM 0 HB2 ASP A 107 -19.392 9.520 3.419 1.00 2.51 H new ATOM 0 HB3 ASP A 107 -19.656 9.549 5.151 1.00 2.51 H new ATOM 1558 N LYS A 108 -17.402 6.519 5.446 1.00 2.65 N ATOM 1559 CA LYS A 108 -17.638 5.108 5.677 1.00 3.12 C ATOM 1560 C LYS A 108 -17.801 4.379 4.346 1.00 2.75 C ATOM 1561 O LYS A 108 -16.816 4.178 3.636 1.00 3.29 O ATOM 1562 CB LYS A 108 -18.829 4.864 6.611 1.00 3.97 C ATOM 1563 CG LYS A 108 -19.090 3.394 6.938 1.00 4.61 C ATOM 1564 CD LYS A 108 -17.865 2.703 7.528 1.00 4.66 C ATOM 1565 CE LYS A 108 -18.173 1.274 7.946 1.00 5.49 C ATOM 1566 NZ LYS A 108 -19.274 1.200 8.942 1.00 6.29 N ATOM 0 H LYS A 108 -16.483 6.833 5.757 1.00 2.65 H new ATOM 0 HA LYS A 108 -16.766 4.700 6.188 1.00 3.12 H new ATOM 0 HB2 LYS A 108 -18.661 5.405 7.542 1.00 3.97 H new ATOM 0 HB3 LYS A 108 -19.724 5.286 6.154 1.00 3.97 H new ATOM 0 HG2 LYS A 108 -19.918 3.323 7.643 1.00 4.61 H new ATOM 0 HG3 LYS A 108 -19.397 2.872 6.032 1.00 4.61 H new ATOM 0 HD2 LYS A 108 -17.059 2.702 6.794 1.00 4.66 H new ATOM 0 HD3 LYS A 108 -17.510 3.266 8.391 1.00 4.66 H new ATOM 0 HE2 LYS A 108 -18.443 0.691 7.066 1.00 5.49 H new ATOM 0 HE3 LYS A 108 -17.276 0.820 8.366 1.00 5.49 H new ATOM 0 HZ1 LYS A 108 -19.259 0.270 9.407 1.00 6.29 H new ATOM 0 HZ2 LYS A 108 -19.147 1.946 9.655 1.00 6.29 H new ATOM 0 HZ3 LYS A 108 -20.187 1.332 8.461 1.00 6.29 H new ATOM 1580 N SER A 109 -19.038 4.016 3.993 1.00 2.37 N ATOM 1581 CA SER A 109 -19.294 3.116 2.867 1.00 2.48 C ATOM 1582 C SER A 109 -18.475 1.831 3.019 1.00 2.68 C ATOM 1583 O SER A 109 -18.316 1.061 2.070 1.00 3.04 O ATOM 1584 CB SER A 109 -18.971 3.803 1.544 1.00 2.90 C ATOM 1585 OG SER A 109 -19.678 5.026 1.422 1.00 3.18 O ATOM 0 H SER A 109 -19.880 4.334 4.474 1.00 2.37 H new ATOM 0 HA SER A 109 -20.353 2.856 2.866 1.00 2.48 H new ATOM 0 HB2 SER A 109 -17.899 3.990 1.479 1.00 2.90 H new ATOM 0 HB3 SER A 109 -19.230 3.144 0.715 1.00 2.90 H new ATOM 0 HG SER A 109 -19.454 5.449 0.567 1.00 3.18 H new ATOM 1591 N GLU A 110 -18.004 1.610 4.251 1.00 3.00 N ATOM 1592 CA GLU A 110 -17.067 0.547 4.588 1.00 3.71 C ATOM 1593 C GLU A 110 -15.767 0.711 3.788 1.00 3.37 C ATOM 1594 O GLU A 110 -14.805 1.300 4.282 1.00 3.90 O ATOM 1595 CB GLU A 110 -17.711 -0.827 4.378 1.00 4.52 C ATOM 1596 CG GLU A 110 -19.033 -0.967 5.119 1.00 5.42 C ATOM 1597 CD GLU A 110 -19.731 -2.279 4.849 1.00 6.14 C ATOM 1598 OE1 GLU A 110 -20.535 -2.344 3.898 1.00 6.37 O ATOM 1599 OE2 GLU A 110 -19.500 -3.240 5.608 1.00 6.73 O ATOM 0 H GLU A 110 -18.272 2.179 5.054 1.00 3.00 H new ATOM 0 HA GLU A 110 -16.809 0.619 5.645 1.00 3.71 H new ATOM 0 HB2 GLU A 110 -17.876 -0.989 3.313 1.00 4.52 H new ATOM 0 HB3 GLU A 110 -17.024 -1.603 4.716 1.00 4.52 H new ATOM 0 HG2 GLU A 110 -18.854 -0.872 6.190 1.00 5.42 H new ATOM 0 HG3 GLU A 110 -19.691 -0.147 4.832 1.00 5.42 H new ATOM 1606 N GLN A 111 -15.756 0.210 2.563 1.00 2.83 N ATOM 1607 CA GLN A 111 -14.677 0.470 1.616 1.00 2.47 C ATOM 1608 C GLN A 111 -15.084 -0.069 0.253 1.00 2.76 C ATOM 1609 O GLN A 111 -15.992 -0.899 0.161 1.00 3.22 O ATOM 1610 CB GLN A 111 -13.334 -0.136 2.066 1.00 2.10 C ATOM 1611 CG GLN A 111 -13.255 -1.658 2.016 1.00 2.39 C ATOM 1612 CD GLN A 111 -13.993 -2.333 3.153 1.00 2.89 C ATOM 1613 OE1 GLN A 111 -15.164 -2.693 3.028 1.00 3.45 O ATOM 1614 NE2 GLN A 111 -13.309 -2.514 4.273 1.00 3.22 N ATOM 0 H GLN A 111 -16.494 -0.389 2.194 1.00 2.83 H new ATOM 0 HA GLN A 111 -14.520 1.547 1.563 1.00 2.47 H new ATOM 0 HB2 GLN A 111 -12.542 0.273 1.439 1.00 2.10 H new ATOM 0 HB3 GLN A 111 -13.132 0.188 3.087 1.00 2.10 H new ATOM 0 HG2 GLN A 111 -13.666 -2.005 1.068 1.00 2.39 H new ATOM 0 HG3 GLN A 111 -12.208 -1.962 2.040 1.00 2.39 H new ATOM 0 HE21 GLN A 111 -12.340 -2.201 4.335 1.00 3.22 H new ATOM 0 HE22 GLN A 111 -13.751 -2.967 5.073 1.00 3.22 H new ATOM 1623 N GLN A 112 -14.441 0.407 -0.803 1.00 2.69 N ATOM 1624 CA GLN A 112 -14.845 0.037 -2.152 1.00 3.13 C ATOM 1625 C GLN A 112 -13.914 -1.012 -2.762 1.00 3.34 C ATOM 1626 O GLN A 112 -12.773 -0.717 -3.126 1.00 3.79 O ATOM 1627 CB GLN A 112 -14.906 1.281 -3.044 1.00 3.88 C ATOM 1628 CG GLN A 112 -15.433 1.020 -4.454 1.00 4.55 C ATOM 1629 CD GLN A 112 -16.930 0.729 -4.513 1.00 5.47 C ATOM 1630 OE1 GLN A 112 -17.593 1.041 -5.504 1.00 5.86 O ATOM 1631 NE2 GLN A 112 -17.481 0.137 -3.464 1.00 6.11 N ATOM 0 H GLN A 112 -13.646 1.044 -0.754 1.00 2.69 H new ATOM 0 HA GLN A 112 -15.838 -0.409 -2.088 1.00 3.13 H new ATOM 0 HB2 GLN A 112 -15.540 2.027 -2.564 1.00 3.88 H new ATOM 0 HB3 GLN A 112 -13.907 1.711 -3.116 1.00 3.88 H new ATOM 0 HG2 GLN A 112 -15.217 1.887 -5.078 1.00 4.55 H new ATOM 0 HG3 GLN A 112 -14.892 0.176 -4.883 1.00 4.55 H new ATOM 0 HE21 GLN A 112 -16.907 -0.110 -2.658 1.00 6.11 H new ATOM 0 HE22 GLN A 112 -18.479 -0.072 -3.463 1.00 6.11 H new ATOM 1640 N PRO A 113 -14.393 -2.264 -2.862 1.00 3.54 N ATOM 1641 CA PRO A 113 -13.682 -3.335 -3.553 1.00 4.20 C ATOM 1642 C PRO A 113 -13.830 -3.202 -5.066 1.00 4.95 C ATOM 1643 O PRO A 113 -14.681 -2.454 -5.553 1.00 5.49 O ATOM 1644 CB PRO A 113 -14.372 -4.619 -3.059 1.00 4.58 C ATOM 1645 CG PRO A 113 -15.359 -4.183 -2.021 1.00 4.43 C ATOM 1646 CD PRO A 113 -15.659 -2.741 -2.304 1.00 3.74 C ATOM 0 HA PRO A 113 -12.611 -3.321 -3.349 1.00 4.20 H new ATOM 0 HB2 PRO A 113 -14.871 -5.135 -3.880 1.00 4.58 H new ATOM 0 HB3 PRO A 113 -13.646 -5.315 -2.639 1.00 4.58 H new ATOM 0 HG2 PRO A 113 -16.266 -4.786 -2.070 1.00 4.43 H new ATOM 0 HG3 PRO A 113 -14.949 -4.305 -1.019 1.00 4.43 H new ATOM 0 HD2 PRO A 113 -16.483 -2.628 -3.009 1.00 3.74 H new ATOM 0 HD3 PRO A 113 -15.936 -2.198 -1.400 1.00 3.74 H new ATOM 1654 N SER A 114 -13.017 -3.930 -5.810 1.00 5.30 N ATOM 1655 CA SER A 114 -13.022 -3.817 -7.255 1.00 6.17 C ATOM 1656 C SER A 114 -14.113 -4.693 -7.865 1.00 6.65 C ATOM 1657 O SER A 114 -13.887 -5.864 -8.178 1.00 7.12 O ATOM 1658 CB SER A 114 -11.656 -4.208 -7.809 1.00 6.86 C ATOM 1659 OG SER A 114 -10.613 -3.568 -7.088 1.00 6.91 O ATOM 0 H SER A 114 -12.347 -4.603 -5.438 1.00 5.30 H new ATOM 0 HA SER A 114 -13.232 -2.781 -7.522 1.00 6.17 H new ATOM 0 HB2 SER A 114 -11.532 -5.289 -7.752 1.00 6.86 H new ATOM 0 HB3 SER A 114 -11.595 -3.935 -8.863 1.00 6.86 H new ATOM 0 HG SER A 114 -9.846 -3.423 -7.681 1.00 6.91 H new ATOM 1665 N GLN A 115 -15.299 -4.125 -7.997 1.00 6.87 N ATOM 1666 CA GLN A 115 -16.412 -4.801 -8.642 1.00 7.64 C ATOM 1667 C GLN A 115 -17.078 -3.837 -9.619 1.00 8.11 C ATOM 1668 O GLN A 115 -18.215 -3.405 -9.410 1.00 8.24 O ATOM 1669 CB GLN A 115 -17.413 -5.309 -7.594 1.00 7.97 C ATOM 1670 CG GLN A 115 -18.571 -6.114 -8.176 1.00 8.14 C ATOM 1671 CD GLN A 115 -18.127 -7.386 -8.878 1.00 8.56 C ATOM 1672 OE1 GLN A 115 -18.754 -7.824 -9.844 1.00 8.97 O ATOM 1673 NE2 GLN A 115 -17.060 -8.002 -8.392 1.00 8.73 N ATOM 0 H GLN A 115 -15.518 -3.187 -7.662 1.00 6.87 H new ATOM 0 HA GLN A 115 -16.047 -5.668 -9.192 1.00 7.64 H new ATOM 0 HB2 GLN A 115 -16.882 -5.928 -6.870 1.00 7.97 H new ATOM 0 HB3 GLN A 115 -17.816 -4.456 -7.049 1.00 7.97 H new ATOM 0 HG2 GLN A 115 -19.263 -6.372 -7.375 1.00 8.14 H new ATOM 0 HG3 GLN A 115 -19.119 -5.490 -8.882 1.00 8.14 H new ATOM 0 HE21 GLN A 115 -16.566 -7.610 -7.591 1.00 8.73 H new ATOM 0 HE22 GLN A 115 -16.733 -8.868 -8.819 1.00 8.73 H new ATOM 1682 N ALA A 116 -16.336 -3.497 -10.677 1.00 8.62 N ATOM 1683 CA ALA A 116 -16.753 -2.502 -11.666 1.00 9.29 C ATOM 1684 C ALA A 116 -16.750 -1.094 -11.073 1.00 9.87 C ATOM 1685 O ALA A 116 -16.921 -0.915 -9.862 1.00 10.23 O ATOM 1686 CB ALA A 116 -18.114 -2.841 -12.258 1.00 9.66 C ATOM 0 H ALA A 116 -15.423 -3.908 -10.871 1.00 8.62 H new ATOM 0 HA ALA A 116 -16.024 -2.525 -12.476 1.00 9.29 H new ATOM 0 HB1 ALA A 116 -18.393 -2.081 -12.988 1.00 9.66 H new ATOM 0 HB2 ALA A 116 -18.066 -3.814 -12.747 1.00 9.66 H new ATOM 0 HB3 ALA A 116 -18.859 -2.871 -11.463 1.00 9.66 H new ATOM 1692 N THR A 117 -16.529 -0.109 -11.934 1.00 10.17 N ATOM 1693 CA THR A 117 -16.470 1.291 -11.527 1.00 10.96 C ATOM 1694 C THR A 117 -15.294 1.534 -10.569 1.00 11.36 C ATOM 1695 O THR A 117 -15.478 1.676 -9.358 1.00 11.56 O ATOM 1696 CB THR A 117 -17.798 1.742 -10.870 1.00 11.46 C ATOM 1697 OG1 THR A 117 -18.900 1.432 -11.736 1.00 11.43 O ATOM 1698 CG2 THR A 117 -17.799 3.237 -10.586 1.00 12.36 C ATOM 0 H THR A 117 -16.386 -0.257 -12.933 1.00 10.17 H new ATOM 0 HA THR A 117 -16.315 1.887 -12.426 1.00 10.96 H new ATOM 0 HB THR A 117 -17.898 1.208 -9.925 1.00 11.46 H new ATOM 0 HG1 THR A 117 -19.737 1.718 -11.315 1.00 11.43 H new ATOM 0 HG21 THR A 117 -18.746 3.519 -10.125 1.00 12.36 H new ATOM 0 HG22 THR A 117 -16.980 3.479 -9.909 1.00 12.36 H new ATOM 0 HG23 THR A 117 -17.673 3.785 -11.520 1.00 12.36 H new ATOM 1706 N PRO A 118 -14.056 1.548 -11.104 1.00 11.65 N ATOM 1707 CA PRO A 118 -12.853 1.835 -10.313 1.00 12.29 C ATOM 1708 C PRO A 118 -12.924 3.185 -9.575 1.00 12.99 C ATOM 1709 O PRO A 118 -12.723 3.222 -8.361 1.00 13.36 O ATOM 1710 CB PRO A 118 -11.719 1.805 -11.344 1.00 12.57 C ATOM 1711 CG PRO A 118 -12.250 0.977 -12.464 1.00 12.09 C ATOM 1712 CD PRO A 118 -13.727 1.252 -12.511 1.00 11.60 C ATOM 0 HA PRO A 118 -12.715 1.110 -9.511 1.00 12.29 H new ATOM 0 HB2 PRO A 118 -11.463 2.810 -11.681 1.00 12.57 H new ATOM 0 HB3 PRO A 118 -10.813 1.369 -10.924 1.00 12.57 H new ATOM 0 HG2 PRO A 118 -11.772 1.242 -13.407 1.00 12.09 H new ATOM 0 HG3 PRO A 118 -12.054 -0.082 -12.295 1.00 12.09 H new ATOM 0 HD2 PRO A 118 -13.960 2.092 -13.165 1.00 11.60 H new ATOM 0 HD3 PRO A 118 -14.285 0.393 -12.884 1.00 11.60 H new ATOM 1720 N PRO A 119 -13.204 4.319 -10.267 1.00 13.34 N ATOM 1721 CA PRO A 119 -13.409 5.599 -9.601 1.00 14.16 C ATOM 1722 C PRO A 119 -14.841 5.727 -9.092 1.00 14.76 C ATOM 1723 O PRO A 119 -15.784 5.732 -9.882 1.00 14.77 O ATOM 1724 CB PRO A 119 -13.139 6.643 -10.698 1.00 14.43 C ATOM 1725 CG PRO A 119 -12.845 5.872 -11.949 1.00 13.70 C ATOM 1726 CD PRO A 119 -13.337 4.473 -11.720 1.00 13.12 C ATOM 0 HA PRO A 119 -12.762 5.719 -8.732 1.00 14.16 H new ATOM 0 HB2 PRO A 119 -14.002 7.294 -10.836 1.00 14.43 H new ATOM 0 HB3 PRO A 119 -12.298 7.282 -10.428 1.00 14.43 H new ATOM 0 HG2 PRO A 119 -13.344 6.322 -12.807 1.00 13.70 H new ATOM 0 HG3 PRO A 119 -11.776 5.876 -12.164 1.00 13.70 H new ATOM 0 HD2 PRO A 119 -14.369 4.348 -12.048 1.00 13.12 H new ATOM 0 HD3 PRO A 119 -12.739 3.740 -12.261 1.00 13.12 H new ATOM 1734 N PRO A 120 -15.020 5.825 -7.762 1.00 15.40 N ATOM 1735 CA PRO A 120 -16.348 5.878 -7.136 1.00 16.14 C ATOM 1736 C PRO A 120 -17.193 7.048 -7.637 1.00 16.74 C ATOM 1737 O PRO A 120 -18.426 6.994 -7.608 1.00 17.26 O ATOM 1738 CB PRO A 120 -16.037 6.040 -5.642 1.00 16.76 C ATOM 1739 CG PRO A 120 -14.646 5.531 -5.484 1.00 16.23 C ATOM 1740 CD PRO A 120 -13.939 5.874 -6.761 1.00 15.60 C ATOM 0 HA PRO A 120 -16.936 4.990 -7.369 1.00 16.14 H new ATOM 0 HB2 PRO A 120 -16.114 7.082 -5.333 1.00 16.76 H new ATOM 0 HB3 PRO A 120 -16.737 5.473 -5.029 1.00 16.76 H new ATOM 0 HG2 PRO A 120 -14.155 5.994 -4.628 1.00 16.23 H new ATOM 0 HG3 PRO A 120 -14.641 4.455 -5.311 1.00 16.23 H new ATOM 0 HD2 PRO A 120 -13.477 6.860 -6.714 1.00 15.60 H new ATOM 0 HD3 PRO A 120 -13.146 5.161 -6.988 1.00 15.60 H new ATOM 1748 N GLU A 121 -16.525 8.099 -8.092 1.00 16.80 N ATOM 1749 CA GLU A 121 -17.200 9.269 -8.628 1.00 17.43 C ATOM 1750 C GLU A 121 -16.379 9.889 -9.753 1.00 17.54 C ATOM 1751 O GLU A 121 -15.146 9.894 -9.707 1.00 17.45 O ATOM 1752 CB GLU A 121 -17.457 10.291 -7.516 1.00 17.74 C ATOM 1753 CG GLU A 121 -16.225 10.638 -6.694 1.00 18.29 C ATOM 1754 CD GLU A 121 -16.562 11.478 -5.482 1.00 18.56 C ATOM 1755 OE1 GLU A 121 -17.048 10.911 -4.480 1.00 18.46 O ATOM 1756 OE2 GLU A 121 -16.345 12.709 -5.519 1.00 18.99 O ATOM 0 H GLU A 121 -15.507 8.163 -8.100 1.00 16.80 H new ATOM 0 HA GLU A 121 -18.161 8.960 -9.039 1.00 17.43 H new ATOM 0 HB2 GLU A 121 -17.853 11.204 -7.961 1.00 17.74 H new ATOM 0 HB3 GLU A 121 -18.227 9.901 -6.850 1.00 17.74 H new ATOM 0 HG2 GLU A 121 -15.735 9.719 -6.372 1.00 18.29 H new ATOM 0 HG3 GLU A 121 -15.513 11.176 -7.320 1.00 18.29 H new ATOM 1763 N ILE A 122 -17.068 10.380 -10.773 1.00 17.86 N ATOM 1764 CA ILE A 122 -16.418 10.986 -11.926 1.00 18.14 C ATOM 1765 C ILE A 122 -16.814 12.459 -12.050 1.00 18.78 C ATOM 1766 O ILE A 122 -17.845 12.788 -12.645 1.00 19.36 O ATOM 1767 CB ILE A 122 -16.789 10.242 -13.231 1.00 18.28 C ATOM 1768 CG1 ILE A 122 -16.496 8.743 -13.094 1.00 18.60 C ATOM 1769 CG2 ILE A 122 -16.029 10.827 -14.416 1.00 18.47 C ATOM 1770 CD1 ILE A 122 -16.919 7.930 -14.299 1.00 18.99 C ATOM 0 H ILE A 122 -18.087 10.370 -10.825 1.00 17.86 H new ATOM 0 HA ILE A 122 -15.341 10.911 -11.775 1.00 18.14 H new ATOM 0 HB ILE A 122 -17.856 10.372 -13.410 1.00 18.28 H new ATOM 0 HG12 ILE A 122 -15.428 8.604 -12.929 1.00 18.60 H new ATOM 0 HG13 ILE A 122 -17.007 8.361 -12.211 1.00 18.60 H new ATOM 0 HG21 ILE A 122 -16.303 10.291 -15.325 1.00 18.47 H new ATOM 0 HG22 ILE A 122 -16.283 11.881 -14.526 1.00 18.47 H new ATOM 0 HG23 ILE A 122 -14.957 10.728 -14.246 1.00 18.47 H new ATOM 0 HD11 ILE A 122 -16.681 6.880 -14.131 1.00 18.99 H new ATOM 0 HD12 ILE A 122 -17.993 8.039 -14.453 1.00 18.99 H new ATOM 0 HD13 ILE A 122 -16.388 8.286 -15.182 1.00 18.99 H new ATOM 1782 N PRO A 123 -16.013 13.362 -11.461 1.00 18.78 N ATOM 1783 CA PRO A 123 -16.242 14.804 -11.526 1.00 19.43 C ATOM 1784 C PRO A 123 -15.780 15.391 -12.855 1.00 19.90 C ATOM 1785 O PRO A 123 -16.635 15.646 -13.731 1.00 19.85 O ATOM 1786 CB PRO A 123 -15.392 15.370 -10.375 1.00 19.23 C ATOM 1787 CG PRO A 123 -14.784 14.187 -9.687 1.00 18.57 C ATOM 1788 CD PRO A 123 -14.817 13.058 -10.673 1.00 18.25 C ATOM 1789 OXT PRO A 123 -14.559 15.581 -13.023 1.00 20.42 O ATOM 0 HA PRO A 123 -17.301 15.049 -11.443 1.00 19.43 H new ATOM 0 HB2 PRO A 123 -14.620 16.040 -10.754 1.00 19.23 H new ATOM 0 HB3 PRO A 123 -16.006 15.949 -9.685 1.00 19.23 H new ATOM 0 HG2 PRO A 123 -13.761 14.402 -9.377 1.00 18.57 H new ATOM 0 HG3 PRO A 123 -15.343 13.932 -8.787 1.00 18.57 H new ATOM 0 HD2 PRO A 123 -13.919 13.032 -11.291 1.00 18.25 H new ATOM 0 HD3 PRO A 123 -14.892 12.089 -10.179 1.00 18.25 H new TER 1797 PRO A 123