USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 966 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 97 TYR OH : rot 180:sc= 0.362 USER MOD Set 1.2: A 99 HIS : no HE2:sc= -0.172 K(o=0.58,f=-0.00088) USER MOD Set 1.3: A 112 SER OG : rot -138:sc= 0.392 USER MOD Set 2.1: A 96 ASN : amide:sc= 1.09 K(o=2,f=-1.4) USER MOD Set 2.2: A 115 SER OG : rot 122:sc= 0.907 USER MOD Set 3.1: A 52 HIS : no HD1:sc= 1.92 K(o=3.2,f=-5.7!) USER MOD Set 3.2: A 58 THR OG1 : rot 128:sc= 1.26 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0.405 USER MOD Set 4.2: A 51 GLN : amide:sc= -2.55! C(o=-2.1!,f=-8.9!) USER MOD Set 5.1: A 3 THR OG1 : rot 170:sc= -0.11 USER MOD Set 5.2: A 42 GLN : amide:sc= 0 K(o=-0.11,f=-0.76) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.19) USER MOD Single : A 6 TYR OH : rot -171:sc= 0.708 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 13 ASN : amide:sc= 0.525 K(o=0.53,f=-1.6!) USER MOD Single : A 14 TYR OH : rot 53:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -108:sc= -0.505 (180deg=-1.47!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 173:sc= 0.548 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.973 K(o=-0.97,f=-3.4!) USER MOD Single : A 45 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.15) USER MOD Single : A 48 THR OG1 : rot -80:sc= -2.18! USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.85 USER MOD Single : A 59 THR OG1 : rot 173:sc= 0.54 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.915 USER MOD Single : A 61 ASN : amide:sc= 0.284 K(o=0.28,f=-6!) USER MOD Single : A 62 SER OG : rot 32:sc= 0.259 USER MOD Single : A 64 THR OG1 : rot 5:sc= 0.906 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -161:sc= -1.54 (180deg=-2.77!) USER MOD Single : A 73 THR OG1 : rot 160:sc= 0.438 USER MOD Single : A 74 MET CE :methyl -171:sc= -2.53 (180deg=-2.61) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0.771 (180deg=0.557) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.21) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -170:sc= -2.66! (180deg=-3.17) USER MOD Single : A 89 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.895) USER MOD Single : A 98 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.25) USER MOD Single : A 100 THR OG1 : rot 40:sc= -0.28 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 130:sc= -0.0992 USER MOD Single : A 120 LYS NZ :NH3+ 157:sc= 1.06 (180deg=0.651) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.09) USER MOD Single : A 125 LYS NZ :NH3+ 155:sc= -0.0719 (180deg=-0.437) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.436 -6.958 -3.134 1.00 0.35 N ATOM 12 CA PHE A 2 -11.301 -6.333 -2.467 1.00 0.27 C ATOM 13 C PHE A 2 -10.995 -7.024 -1.146 1.00 0.23 C ATOM 14 O PHE A 2 -9.844 -7.078 -0.727 1.00 0.25 O ATOM 15 CB PHE A 2 -11.568 -4.848 -2.218 1.00 0.33 C ATOM 16 CG PHE A 2 -11.306 -3.973 -3.411 1.00 0.31 C ATOM 17 CD1 PHE A 2 -10.078 -4.000 -4.054 1.00 1.22 C ATOM 18 CD2 PHE A 2 -12.286 -3.113 -3.884 1.00 1.24 C ATOM 19 CE1 PHE A 2 -9.832 -3.186 -5.144 1.00 1.23 C ATOM 20 CE2 PHE A 2 -12.046 -2.301 -4.975 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.817 -2.337 -5.606 1.00 0.36 C ATOM 0 HA PHE A 2 -10.438 -6.434 -3.125 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.606 -4.723 -1.909 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.945 -4.511 -1.389 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -9.304 -4.665 -3.699 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -13.248 -3.078 -3.394 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -8.870 -3.214 -5.634 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -12.819 -1.638 -5.335 1.00 1.24 H new ATOM 0 HZ PHE A 2 -10.628 -1.702 -6.459 1.00 0.36 H new ATOM 31 N THR A 3 -12.025 -7.560 -0.500 1.00 0.20 N ATOM 32 CA THR A 3 -11.854 -8.230 0.782 1.00 0.19 C ATOM 33 C THR A 3 -10.978 -9.472 0.674 1.00 0.19 C ATOM 34 O THR A 3 -11.064 -10.228 -0.299 1.00 0.26 O ATOM 35 CB THR A 3 -13.204 -8.651 1.378 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.235 -7.758 0.947 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.121 -8.659 2.891 1.00 0.26 C ATOM 0 H THR A 3 -12.985 -7.543 -0.843 1.00 0.20 H new ATOM 0 HA THR A 3 -11.366 -7.503 1.432 1.00 0.19 H new ATOM 0 HB THR A 3 -13.444 -9.656 1.031 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.109 -8.123 1.197 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.083 -8.959 3.307 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.353 -9.364 3.210 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.867 -7.660 3.247 1.00 0.26 H new ATOM 45 N GLY A 4 -10.151 -9.684 1.686 1.00 0.19 N ATOM 46 CA GLY A 4 -9.285 -10.837 1.702 1.00 0.21 C ATOM 47 C GLY A 4 -7.858 -10.487 2.052 1.00 0.19 C ATOM 48 O GLY A 4 -7.514 -9.315 2.177 1.00 0.21 O ATOM 0 H GLY A 4 -10.066 -9.073 2.499 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.664 -11.562 2.422 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.308 -11.318 0.724 1.00 0.21 H new ATOM 52 N LYS A 5 -7.040 -11.506 2.242 1.00 0.20 N ATOM 53 CA LYS A 5 -5.633 -11.304 2.545 1.00 0.20 C ATOM 54 C LYS A 5 -4.835 -11.371 1.251 1.00 0.18 C ATOM 55 O LYS A 5 -5.171 -12.136 0.341 1.00 0.19 O ATOM 56 CB LYS A 5 -5.122 -12.350 3.548 1.00 0.23 C ATOM 57 CG LYS A 5 -4.331 -13.481 2.902 1.00 0.28 C ATOM 58 CD LYS A 5 -4.061 -14.630 3.859 1.00 0.31 C ATOM 59 CE LYS A 5 -2.837 -14.374 4.723 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.929 -15.555 4.767 1.00 1.54 N ATOM 0 H LYS A 5 -7.325 -12.484 2.192 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.507 -10.324 3.006 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.493 -11.855 4.288 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.972 -12.773 4.084 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.880 -13.855 2.038 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.383 -13.091 2.533 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.931 -14.782 4.498 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.918 -15.549 3.291 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.293 -13.513 4.335 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.154 -14.122 5.735 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.210 -15.413 5.505 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -2.481 -16.410 4.981 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.461 -15.668 3.845 1.00 1.54 H new ATOM 74 N TYR A 6 -3.804 -10.557 1.160 1.00 0.19 N ATOM 75 CA TYR A 6 -2.964 -10.531 -0.021 1.00 0.19 C ATOM 76 C TYR A 6 -1.508 -10.648 0.378 1.00 0.19 C ATOM 77 O TYR A 6 -1.064 -10.015 1.331 1.00 0.23 O ATOM 78 CB TYR A 6 -3.186 -9.248 -0.825 1.00 0.22 C ATOM 79 CG TYR A 6 -4.610 -9.071 -1.305 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.040 -9.646 -2.493 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.524 -8.337 -0.563 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.342 -9.498 -2.926 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.828 -8.183 -0.990 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.230 -8.766 -2.174 1.00 0.35 C ATOM 85 OH TYR A 6 -8.529 -8.627 -2.597 1.00 0.44 O ATOM 0 H TYR A 6 -3.526 -9.903 1.891 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.234 -11.378 -0.651 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.910 -8.392 -0.210 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.519 -9.250 -1.687 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.344 -10.219 -3.088 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -5.211 -7.879 0.363 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.662 -9.955 -3.851 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.529 -7.610 -0.401 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.988 -7.969 -2.034 1.00 0.44 H new ATOM 95 N GLU A 7 -0.773 -11.468 -0.344 1.00 0.19 N ATOM 96 CA GLU A 7 0.631 -11.672 -0.056 1.00 0.21 C ATOM 97 C GLU A 7 1.478 -11.290 -1.260 1.00 0.19 C ATOM 98 O GLU A 7 1.063 -11.468 -2.407 1.00 0.22 O ATOM 99 CB GLU A 7 0.875 -13.119 0.370 1.00 0.26 C ATOM 100 CG GLU A 7 0.459 -13.390 1.812 1.00 0.33 C ATOM 101 CD GLU A 7 0.590 -14.846 2.212 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.725 -15.365 2.203 1.00 1.20 O ATOM 103 OE2 GLU A 7 -0.439 -15.470 2.551 1.00 1.41 O ATOM 0 H GLU A 7 -1.126 -12.005 -1.136 1.00 0.19 H new ATOM 0 HA GLU A 7 0.925 -11.027 0.772 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.324 -13.786 -0.293 1.00 0.26 H new ATOM 0 HB3 GLU A 7 1.933 -13.354 0.252 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.069 -12.781 2.479 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.575 -13.075 1.950 1.00 0.33 H new ATOM 110 N PHE A 8 2.650 -10.734 -0.970 1.00 0.23 N ATOM 111 CA PHE A 8 3.595 -10.283 -1.985 1.00 0.25 C ATOM 112 C PHE A 8 3.850 -11.340 -3.054 1.00 0.24 C ATOM 113 O PHE A 8 4.387 -12.416 -2.776 1.00 0.33 O ATOM 114 CB PHE A 8 4.915 -9.902 -1.317 1.00 0.33 C ATOM 115 CG PHE A 8 5.627 -8.764 -1.991 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.182 -8.920 -3.251 1.00 1.55 C ATOM 117 CD2 PHE A 8 5.740 -7.535 -1.361 1.00 1.32 C ATOM 118 CE1 PHE A 8 6.836 -7.872 -3.870 1.00 1.86 C ATOM 119 CE2 PHE A 8 6.394 -6.483 -1.972 1.00 1.57 C ATOM 120 CZ PHE A 8 6.941 -6.652 -3.229 1.00 1.49 C ATOM 0 H PHE A 8 2.973 -10.583 -0.015 1.00 0.23 H new ATOM 0 HA PHE A 8 3.155 -9.418 -2.481 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.722 -9.634 -0.278 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.570 -10.773 -1.305 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.102 -9.872 -3.755 1.00 1.55 H new ATOM 0 HD2 PHE A 8 5.311 -7.398 -0.379 1.00 1.32 H new ATOM 0 HE1 PHE A 8 7.264 -8.006 -4.852 1.00 1.86 H new ATOM 0 HE2 PHE A 8 6.477 -5.531 -1.468 1.00 1.57 H new ATOM 0 HZ PHE A 8 7.451 -5.831 -3.711 1.00 1.49 H new ATOM 130 N GLU A 9 3.457 -11.025 -4.278 1.00 0.25 N ATOM 131 CA GLU A 9 3.659 -11.927 -5.396 1.00 0.26 C ATOM 132 C GLU A 9 4.711 -11.359 -6.340 1.00 0.28 C ATOM 133 O GLU A 9 5.645 -12.052 -6.735 1.00 0.34 O ATOM 134 CB GLU A 9 2.353 -12.151 -6.153 1.00 0.27 C ATOM 135 CG GLU A 9 2.487 -13.119 -7.314 1.00 0.35 C ATOM 136 CD GLU A 9 2.095 -14.534 -6.936 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.925 -15.244 -6.324 1.00 1.19 O ATOM 138 OE2 GLU A 9 0.956 -14.942 -7.241 1.00 1.46 O ATOM 0 H GLU A 9 2.995 -10.149 -4.521 1.00 0.25 H new ATOM 0 HA GLU A 9 4.003 -12.885 -5.006 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.600 -12.528 -5.460 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.990 -11.194 -6.528 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.862 -12.780 -8.140 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.517 -13.113 -7.671 1.00 0.35 H new ATOM 145 N SER A 10 4.548 -10.091 -6.695 1.00 0.26 N ATOM 146 CA SER A 10 5.469 -9.420 -7.603 1.00 0.29 C ATOM 147 C SER A 10 5.476 -7.913 -7.355 1.00 0.27 C ATOM 148 O SER A 10 4.564 -7.379 -6.715 1.00 0.32 O ATOM 149 CB SER A 10 5.070 -9.699 -9.055 1.00 0.34 C ATOM 150 OG SER A 10 5.082 -11.090 -9.335 1.00 1.01 O ATOM 0 H SER A 10 3.782 -9.504 -6.366 1.00 0.26 H new ATOM 0 HA SER A 10 6.471 -9.808 -7.420 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.075 -9.296 -9.245 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.756 -9.184 -9.728 1.00 0.34 H new ATOM 0 HG SER A 10 4.822 -11.238 -10.268 1.00 1.01 H new ATOM 156 N ASP A 11 6.495 -7.236 -7.871 1.00 0.28 N ATOM 157 CA ASP A 11 6.625 -5.796 -7.721 1.00 0.28 C ATOM 158 C ASP A 11 7.321 -5.219 -8.942 1.00 0.28 C ATOM 159 O ASP A 11 7.955 -5.950 -9.709 1.00 0.34 O ATOM 160 CB ASP A 11 7.400 -5.436 -6.447 1.00 0.32 C ATOM 161 CG ASP A 11 8.902 -5.621 -6.585 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.388 -6.756 -6.383 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.597 -4.633 -6.897 1.00 1.72 O ATOM 0 H ASP A 11 7.250 -7.670 -8.402 1.00 0.28 H new ATOM 0 HA ASP A 11 5.627 -5.366 -7.634 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.191 -4.399 -6.184 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.039 -6.053 -5.624 1.00 0.32 H new ATOM 168 N GLU A 12 7.189 -3.922 -9.125 1.00 0.26 N ATOM 169 CA GLU A 12 7.790 -3.246 -10.256 1.00 0.27 C ATOM 170 C GLU A 12 8.160 -1.816 -9.890 1.00 0.25 C ATOM 171 O GLU A 12 7.388 -1.113 -9.236 1.00 0.26 O ATOM 172 CB GLU A 12 6.813 -3.267 -11.429 1.00 0.32 C ATOM 173 CG GLU A 12 7.105 -2.260 -12.530 1.00 0.38 C ATOM 174 CD GLU A 12 6.417 -2.615 -13.833 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.257 -2.197 -14.043 1.00 1.00 O ATOM 176 OE2 GLU A 12 7.038 -3.315 -14.658 1.00 1.44 O ATOM 0 H GLU A 12 6.666 -3.310 -8.499 1.00 0.26 H new ATOM 0 HA GLU A 12 8.706 -3.764 -10.542 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.812 -4.267 -11.863 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.808 -3.084 -11.048 1.00 0.32 H new ATOM 0 HG2 GLU A 12 6.781 -1.270 -12.209 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.181 -2.206 -12.693 1.00 0.38 H new ATOM 183 N ASN A 13 9.340 -1.407 -10.344 1.00 0.25 N ATOM 184 CA ASN A 13 9.885 -0.065 -10.099 1.00 0.25 C ATOM 185 C ASN A 13 10.118 0.196 -8.611 1.00 0.23 C ATOM 186 O ASN A 13 9.817 1.278 -8.114 1.00 0.30 O ATOM 187 CB ASN A 13 8.961 1.015 -10.671 1.00 0.29 C ATOM 188 CG ASN A 13 9.423 1.536 -12.019 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.610 1.520 -12.337 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.483 2.021 -12.815 1.00 0.84 N ATOM 0 H ASN A 13 9.956 -2.000 -10.899 1.00 0.25 H new ATOM 0 HA ASN A 13 10.848 -0.021 -10.607 1.00 0.25 H new ATOM 0 HB2 ASN A 13 7.954 0.609 -10.770 1.00 0.29 H new ATOM 0 HB3 ASN A 13 8.902 1.845 -9.967 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.734 2.399 -13.729 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.508 2.016 -12.515 1.00 0.84 H new ATOM 197 N TYR A 14 10.685 -0.778 -7.912 1.00 0.23 N ATOM 198 CA TYR A 14 10.938 -0.633 -6.484 1.00 0.25 C ATOM 199 C TYR A 14 12.073 0.349 -6.209 1.00 0.23 C ATOM 200 O TYR A 14 11.878 1.356 -5.526 1.00 0.22 O ATOM 201 CB TYR A 14 11.275 -1.981 -5.846 1.00 0.32 C ATOM 202 CG TYR A 14 11.399 -1.905 -4.339 1.00 0.44 C ATOM 203 CD1 TYR A 14 10.281 -2.003 -3.525 1.00 1.30 C ATOM 204 CD2 TYR A 14 12.635 -1.713 -3.732 1.00 1.28 C ATOM 205 CE1 TYR A 14 10.386 -1.914 -2.151 1.00 1.36 C ATOM 206 CE2 TYR A 14 12.749 -1.621 -2.358 1.00 1.39 C ATOM 207 CZ TYR A 14 11.622 -1.722 -1.574 1.00 0.78 C ATOM 208 OH TYR A 14 11.728 -1.624 -0.209 1.00 0.98 O ATOM 0 H TYR A 14 10.977 -1.672 -8.307 1.00 0.23 H new ATOM 0 HA TYR A 14 10.022 -0.242 -6.041 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.502 -2.704 -6.106 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.211 -2.351 -6.264 1.00 0.32 H new ATOM 0 HD1 TYR A 14 9.310 -2.152 -3.974 1.00 1.30 H new ATOM 0 HD2 TYR A 14 13.521 -1.634 -4.345 1.00 1.28 H new ATOM 0 HE1 TYR A 14 9.504 -1.994 -1.532 1.00 1.36 H new ATOM 0 HE2 TYR A 14 13.716 -1.471 -1.902 1.00 1.39 H new ATOM 0 HH TYR A 14 11.295 -2.397 0.209 1.00 0.98 H new ATOM 218 N ASP A 15 13.250 0.055 -6.755 1.00 0.25 N ATOM 219 CA ASP A 15 14.440 0.889 -6.540 1.00 0.26 C ATOM 220 C ASP A 15 14.211 2.318 -7.005 1.00 0.25 C ATOM 221 O ASP A 15 14.618 3.270 -6.342 1.00 0.26 O ATOM 222 CB ASP A 15 15.656 0.319 -7.272 1.00 0.33 C ATOM 223 CG ASP A 15 15.902 -1.148 -6.976 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.837 -1.547 -5.797 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.172 -1.911 -7.925 1.00 1.30 O ATOM 0 H ASP A 15 13.410 -0.756 -7.352 1.00 0.25 H new ATOM 0 HA ASP A 15 14.631 0.889 -5.467 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.518 0.448 -8.346 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.540 0.892 -6.993 1.00 0.33 H new ATOM 230 N ASP A 16 13.562 2.460 -8.146 1.00 0.25 N ATOM 231 CA ASP A 16 13.274 3.778 -8.700 1.00 0.26 C ATOM 232 C ASP A 16 12.361 4.556 -7.765 1.00 0.25 C ATOM 233 O ASP A 16 12.548 5.750 -7.543 1.00 0.29 O ATOM 234 CB ASP A 16 12.600 3.633 -10.057 1.00 0.29 C ATOM 235 CG ASP A 16 13.300 4.415 -11.153 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.785 5.534 -10.886 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.356 3.916 -12.297 1.00 1.20 O ATOM 0 H ASP A 16 13.223 1.681 -8.710 1.00 0.25 H new ATOM 0 HA ASP A 16 14.213 4.319 -8.814 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.572 2.579 -10.332 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.566 3.970 -9.981 1.00 0.29 H new ATOM 242 N PHE A 17 11.383 3.847 -7.213 1.00 0.21 N ATOM 243 CA PHE A 17 10.413 4.426 -6.296 1.00 0.21 C ATOM 244 C PHE A 17 11.077 4.876 -5.005 1.00 0.20 C ATOM 245 O PHE A 17 10.980 6.041 -4.618 1.00 0.23 O ATOM 246 CB PHE A 17 9.335 3.389 -5.987 1.00 0.21 C ATOM 247 CG PHE A 17 8.129 3.934 -5.280 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.336 4.898 -5.879 1.00 1.17 C ATOM 249 CD2 PHE A 17 7.779 3.470 -4.020 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.219 5.392 -5.235 1.00 1.19 C ATOM 251 CE2 PHE A 17 6.662 3.959 -3.373 1.00 1.24 C ATOM 252 CZ PHE A 17 5.882 4.921 -3.982 1.00 0.38 C ATOM 0 H PHE A 17 11.242 2.853 -7.390 1.00 0.21 H new ATOM 0 HA PHE A 17 9.967 5.301 -6.768 1.00 0.21 H new ATOM 0 HB2 PHE A 17 9.015 2.928 -6.921 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.773 2.600 -5.375 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.594 5.268 -6.861 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.387 2.718 -3.540 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.610 6.146 -5.711 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.399 3.590 -2.393 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.008 5.305 -3.478 1.00 0.38 H new ATOM 262 N VAL A 18 11.768 3.949 -4.358 1.00 0.19 N ATOM 263 CA VAL A 18 12.434 4.233 -3.099 1.00 0.21 C ATOM 264 C VAL A 18 13.468 5.347 -3.238 1.00 0.23 C ATOM 265 O VAL A 18 13.585 6.203 -2.354 1.00 0.26 O ATOM 266 CB VAL A 18 13.094 2.972 -2.508 1.00 0.23 C ATOM 267 CG1 VAL A 18 12.032 1.948 -2.141 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.094 2.372 -3.480 1.00 0.23 C ATOM 0 H VAL A 18 11.881 2.990 -4.687 1.00 0.19 H new ATOM 0 HA VAL A 18 11.659 4.573 -2.411 1.00 0.21 H new ATOM 0 HB VAL A 18 13.634 3.261 -1.606 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.510 1.061 -1.724 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.354 2.376 -1.402 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.469 1.672 -3.033 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.544 1.484 -3.037 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.584 2.098 -4.404 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.873 3.103 -3.698 1.00 0.23 H new ATOM 278 N LYS A 19 14.201 5.354 -4.344 1.00 0.24 N ATOM 279 CA LYS A 19 15.211 6.382 -4.567 1.00 0.29 C ATOM 280 C LYS A 19 14.571 7.731 -4.886 1.00 0.30 C ATOM 281 O LYS A 19 15.168 8.778 -4.647 1.00 0.34 O ATOM 282 CB LYS A 19 16.152 5.959 -5.698 1.00 0.33 C ATOM 283 CG LYS A 19 17.245 5.002 -5.245 1.00 0.41 C ATOM 284 CD LYS A 19 18.246 5.689 -4.323 1.00 0.54 C ATOM 285 CE LYS A 19 18.641 4.803 -3.148 1.00 0.87 C ATOM 286 NZ LYS A 19 19.450 5.546 -2.143 1.00 1.18 N ATOM 0 H LYS A 19 14.117 4.668 -5.094 1.00 0.24 H new ATOM 0 HA LYS A 19 15.786 6.495 -3.648 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.569 5.486 -6.488 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.613 6.848 -6.130 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.796 4.154 -4.728 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.765 4.605 -6.116 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.137 5.957 -4.891 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.816 6.618 -3.948 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.743 4.409 -2.672 1.00 0.87 H new ATOM 0 HE3 LYS A 19 19.210 3.948 -3.513 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.699 4.910 -1.359 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.319 5.901 -2.591 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 18.897 6.347 -1.776 1.00 1.18 H new ATOM 300 N LYS A 20 13.356 7.705 -5.415 1.00 0.29 N ATOM 301 CA LYS A 20 12.656 8.934 -5.770 1.00 0.32 C ATOM 302 C LYS A 20 11.983 9.574 -4.559 1.00 0.31 C ATOM 303 O LYS A 20 12.124 10.778 -4.323 1.00 0.36 O ATOM 304 CB LYS A 20 11.608 8.657 -6.848 1.00 0.35 C ATOM 305 CG LYS A 20 11.037 9.916 -7.491 1.00 0.58 C ATOM 306 CD LYS A 20 12.103 10.703 -8.241 1.00 0.73 C ATOM 307 CE LYS A 20 12.656 9.912 -9.412 1.00 0.71 C ATOM 308 NZ LYS A 20 13.868 10.549 -9.991 1.00 0.88 N ATOM 0 H LYS A 20 12.835 6.850 -5.608 1.00 0.29 H new ATOM 0 HA LYS A 20 13.401 9.631 -6.153 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.054 8.035 -7.624 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.792 8.083 -6.409 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.237 9.642 -8.179 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.593 10.548 -6.721 1.00 0.58 H new ATOM 0 HD2 LYS A 20 11.679 11.640 -8.601 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.914 10.961 -7.559 1.00 0.73 H new ATOM 0 HE2 LYS A 20 12.899 8.901 -9.084 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.890 9.822 -10.183 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 14.214 9.977 -10.788 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.631 11.504 -10.327 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 14.608 10.612 -9.263 1.00 0.88 H new ATOM 322 N ILE A 21 11.261 8.765 -3.794 1.00 0.28 N ATOM 323 CA ILE A 21 10.541 9.253 -2.620 1.00 0.30 C ATOM 324 C ILE A 21 11.493 9.677 -1.505 1.00 0.32 C ATOM 325 O ILE A 21 11.110 10.411 -0.594 1.00 0.39 O ATOM 326 CB ILE A 21 9.562 8.191 -2.079 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.309 6.915 -1.671 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.500 7.878 -3.120 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.506 5.994 -0.778 1.00 0.30 C ATOM 0 H ILE A 21 11.157 7.765 -3.965 1.00 0.28 H new ATOM 0 HA ILE A 21 9.976 10.126 -2.946 1.00 0.30 H new ATOM 0 HB ILE A 21 9.074 8.594 -1.191 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.598 6.372 -2.571 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.229 7.193 -1.157 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.815 7.127 -2.726 1.00 0.31 H new ATOM 0 HG22 ILE A 21 7.946 8.786 -3.358 1.00 0.31 H new ATOM 0 HG23 ILE A 21 8.977 7.496 -4.023 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.102 5.115 -0.533 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.239 6.519 0.139 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.599 5.685 -1.297 1.00 0.30 H new ATOM 341 N GLY A 22 12.725 9.203 -1.578 1.00 0.31 N ATOM 342 CA GLY A 22 13.703 9.551 -0.574 1.00 0.36 C ATOM 343 C GLY A 22 13.697 8.588 0.588 1.00 0.34 C ATOM 344 O GLY A 22 13.827 8.993 1.744 1.00 0.39 O ATOM 0 H GLY A 22 13.065 8.584 -2.314 1.00 0.31 H new ATOM 0 HA2 GLY A 22 14.695 9.566 -1.026 1.00 0.36 H new ATOM 0 HA3 GLY A 22 13.504 10.559 -0.209 1.00 0.36 H new ATOM 348 N LEU A 23 13.524 7.310 0.289 1.00 0.28 N ATOM 349 CA LEU A 23 13.510 6.290 1.320 1.00 0.27 C ATOM 350 C LEU A 23 14.929 5.977 1.777 1.00 0.28 C ATOM 351 O LEU A 23 15.822 5.779 0.953 1.00 0.28 O ATOM 352 CB LEU A 23 12.848 5.016 0.789 1.00 0.24 C ATOM 353 CG LEU A 23 12.377 4.027 1.856 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.209 4.597 2.636 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.979 2.703 1.227 1.00 0.25 C ATOM 0 H LEU A 23 13.392 6.957 -0.659 1.00 0.28 H new ATOM 0 HA LEU A 23 12.940 6.665 2.170 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.991 5.300 0.178 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.554 4.507 0.132 1.00 0.24 H new ATOM 0 HG LEU A 23 13.207 3.854 2.540 1.00 0.26 H new ATOM 0 HD11 LEU A 23 10.889 3.878 3.390 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.514 5.523 3.124 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.382 4.801 1.956 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.648 2.016 2.005 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.168 2.866 0.518 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.836 2.275 0.706 1.00 0.25 H new ATOM 367 N PRO A 24 15.168 5.971 3.093 1.00 0.30 N ATOM 368 CA PRO A 24 16.487 5.660 3.647 1.00 0.32 C ATOM 369 C PRO A 24 16.872 4.204 3.413 1.00 0.30 C ATOM 370 O PRO A 24 16.014 3.318 3.455 1.00 0.28 O ATOM 371 CB PRO A 24 16.320 5.929 5.145 1.00 0.37 C ATOM 372 CG PRO A 24 14.857 5.823 5.402 1.00 0.36 C ATOM 373 CD PRO A 24 14.183 6.286 4.145 1.00 0.33 C ATOM 0 HA PRO A 24 17.276 6.251 3.182 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.877 5.205 5.739 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.696 6.917 5.412 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.576 4.797 5.641 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.564 6.440 6.252 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.239 5.766 3.980 1.00 0.33 H new ATOM 0 HD3 PRO A 24 13.958 7.352 4.179 1.00 0.33 H new ATOM 381 N ALA A 25 18.161 3.960 3.184 1.00 0.32 N ATOM 382 CA ALA A 25 18.663 2.611 2.945 1.00 0.34 C ATOM 383 C ALA A 25 18.273 1.670 4.077 1.00 0.35 C ATOM 384 O ALA A 25 18.014 0.487 3.851 1.00 0.36 O ATOM 385 CB ALA A 25 20.174 2.627 2.785 1.00 0.39 C ATOM 0 H ALA A 25 18.879 4.684 3.159 1.00 0.32 H new ATOM 0 HA ALA A 25 18.210 2.246 2.023 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.532 1.613 2.607 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.444 3.260 1.940 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.632 3.020 3.693 1.00 0.39 H new ATOM 391 N ASP A 26 18.214 2.220 5.287 1.00 0.37 N ATOM 392 CA ASP A 26 17.860 1.455 6.476 1.00 0.40 C ATOM 393 C ASP A 26 16.495 0.792 6.322 1.00 0.38 C ATOM 394 O ASP A 26 16.312 -0.364 6.702 1.00 0.42 O ATOM 395 CB ASP A 26 17.844 2.362 7.709 1.00 0.46 C ATOM 396 CG ASP A 26 19.166 3.068 7.935 1.00 1.27 C ATOM 397 OD1 ASP A 26 19.428 4.087 7.258 1.00 2.03 O ATOM 398 OD2 ASP A 26 19.945 2.614 8.794 1.00 2.03 O ATOM 0 H ASP A 26 18.410 3.204 5.469 1.00 0.37 H new ATOM 0 HA ASP A 26 18.614 0.678 6.603 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.055 3.105 7.598 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.600 1.767 8.589 1.00 0.46 H new ATOM 403 N LYS A 27 15.543 1.522 5.756 1.00 0.35 N ATOM 404 CA LYS A 27 14.197 0.999 5.573 1.00 0.36 C ATOM 405 C LYS A 27 14.089 0.262 4.246 1.00 0.32 C ATOM 406 O LYS A 27 13.355 -0.719 4.132 1.00 0.33 O ATOM 407 CB LYS A 27 13.169 2.129 5.628 1.00 0.39 C ATOM 408 CG LYS A 27 13.262 2.989 6.882 1.00 0.41 C ATOM 409 CD LYS A 27 12.984 2.189 8.142 1.00 0.48 C ATOM 410 CE LYS A 27 12.944 3.088 9.368 1.00 0.72 C ATOM 411 NZ LYS A 27 12.904 2.308 10.628 1.00 0.94 N ATOM 0 H LYS A 27 15.678 2.475 5.417 1.00 0.35 H new ATOM 0 HA LYS A 27 13.990 0.299 6.383 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.297 2.766 4.753 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.169 1.700 5.567 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.256 3.431 6.945 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.551 3.812 6.811 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.033 1.665 8.041 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.755 1.429 8.270 1.00 0.48 H new ATOM 0 HE2 LYS A 27 13.820 3.736 9.371 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.069 3.735 9.314 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.878 2.959 11.439 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.055 1.708 10.638 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.752 1.709 10.693 1.00 0.94 H new ATOM 425 N ILE A 28 14.835 0.740 3.251 1.00 0.30 N ATOM 426 CA ILE A 28 14.835 0.134 1.924 1.00 0.29 C ATOM 427 C ILE A 28 15.224 -1.335 2.002 1.00 0.34 C ATOM 428 O ILE A 28 14.454 -2.212 1.616 1.00 0.37 O ATOM 429 CB ILE A 28 15.821 0.845 0.964 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.301 2.223 0.571 1.00 0.25 C ATOM 431 CG2 ILE A 28 16.067 0.002 -0.283 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.238 2.982 -0.345 1.00 0.26 C ATOM 0 H ILE A 28 15.449 1.549 3.342 1.00 0.30 H new ATOM 0 HA ILE A 28 13.821 0.237 1.536 1.00 0.29 H new ATOM 0 HB ILE A 28 16.767 0.970 1.492 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.335 2.111 0.079 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.133 2.810 1.474 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.762 0.522 -0.942 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.491 -0.960 0.006 1.00 0.35 H new ATOM 0 HG23 ILE A 28 15.124 -0.159 -0.805 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.805 3.953 -0.584 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.197 3.125 0.153 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.387 2.415 -1.264 1.00 0.26 H new ATOM 444 N GLU A 29 16.420 -1.593 2.526 1.00 0.37 N ATOM 445 CA GLU A 29 16.935 -2.952 2.645 1.00 0.44 C ATOM 446 C GLU A 29 16.055 -3.798 3.551 1.00 0.43 C ATOM 447 O GLU A 29 15.851 -4.988 3.299 1.00 0.47 O ATOM 448 CB GLU A 29 18.363 -2.936 3.185 1.00 0.52 C ATOM 449 CG GLU A 29 19.357 -2.289 2.237 1.00 0.55 C ATOM 450 CD GLU A 29 19.369 -2.942 0.868 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.132 -4.166 0.779 1.00 1.73 O ATOM 452 OE2 GLU A 29 19.630 -2.235 -0.125 1.00 1.41 O ATOM 0 H GLU A 29 17.052 -0.873 2.876 1.00 0.37 H new ATOM 0 HA GLU A 29 16.931 -3.395 1.649 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.378 -2.403 4.136 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.679 -3.959 3.388 1.00 0.52 H new ATOM 0 HG2 GLU A 29 19.115 -1.232 2.129 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.356 -2.344 2.670 1.00 0.55 H new ATOM 459 N MET A 30 15.532 -3.167 4.590 1.00 0.41 N ATOM 460 CA MET A 30 14.675 -3.833 5.555 1.00 0.43 C ATOM 461 C MET A 30 13.385 -4.319 4.889 1.00 0.40 C ATOM 462 O MET A 30 12.897 -5.406 5.184 1.00 0.41 O ATOM 463 CB MET A 30 14.364 -2.873 6.708 1.00 0.45 C ATOM 464 CG MET A 30 13.902 -3.561 7.980 1.00 0.46 C ATOM 465 SD MET A 30 14.910 -4.987 8.419 1.00 0.63 S ATOM 466 CE MET A 30 13.724 -6.295 8.137 1.00 0.97 C ATOM 0 H MET A 30 15.690 -2.179 4.787 1.00 0.41 H new ATOM 0 HA MET A 30 15.193 -4.707 5.950 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.256 -2.286 6.928 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.593 -2.173 6.386 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.921 -2.844 8.801 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.867 -3.879 7.858 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.398 -6.703 9.094 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.863 -5.896 7.601 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.187 -7.084 7.544 1.00 0.97 H new ATOM 476 N GLY A 31 12.854 -3.517 3.969 1.00 0.39 N ATOM 477 CA GLY A 31 11.629 -3.878 3.275 1.00 0.39 C ATOM 478 C GLY A 31 11.851 -4.209 1.810 1.00 0.43 C ATOM 479 O GLY A 31 10.994 -3.928 0.969 1.00 0.51 O ATOM 0 H GLY A 31 13.252 -2.620 3.691 1.00 0.39 H new ATOM 0 HA2 GLY A 31 11.177 -4.737 3.771 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.919 -3.055 3.352 1.00 0.39 H new ATOM 483 N ARG A 32 12.984 -4.820 1.497 1.00 0.43 N ATOM 484 CA ARG A 32 13.309 -5.162 0.120 1.00 0.50 C ATOM 485 C ARG A 32 12.834 -6.559 -0.244 1.00 0.44 C ATOM 486 O ARG A 32 13.393 -7.555 0.218 1.00 0.49 O ATOM 487 CB ARG A 32 14.811 -5.046 -0.121 1.00 0.60 C ATOM 488 CG ARG A 32 15.167 -3.910 -1.057 1.00 0.78 C ATOM 489 CD ARG A 32 16.599 -4.006 -1.550 1.00 0.71 C ATOM 490 NE ARG A 32 16.771 -3.348 -2.844 1.00 1.31 N ATOM 491 CZ ARG A 32 17.955 -3.037 -3.369 1.00 1.49 C ATOM 492 NH1 ARG A 32 19.074 -3.280 -2.699 1.00 1.65 N ATOM 493 NH2 ARG A 32 18.018 -2.450 -4.556 1.00 2.27 N ATOM 0 H ARG A 32 13.694 -5.089 2.178 1.00 0.43 H new ATOM 0 HA ARG A 32 12.785 -4.452 -0.520 1.00 0.50 H new ATOM 0 HB2 ARG A 32 15.317 -4.898 0.833 1.00 0.60 H new ATOM 0 HB3 ARG A 32 15.182 -5.983 -0.536 1.00 0.60 H new ATOM 0 HG2 ARG A 32 14.489 -3.917 -1.910 1.00 0.78 H new ATOM 0 HG3 ARG A 32 15.023 -2.959 -0.544 1.00 0.78 H new ATOM 0 HD2 ARG A 32 17.267 -3.551 -0.819 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.885 -5.054 -1.634 1.00 0.71 H new ATOM 0 HE ARG A 32 15.934 -3.113 -3.377 1.00 1.31 H new ATOM 0 HH11 ARG A 32 19.032 -3.708 -1.774 1.00 1.65 H new ATOM 0 HH12 ARG A 32 19.976 -3.039 -3.109 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.161 -2.237 -5.066 1.00 2.27 H new ATOM 0 HH22 ARG A 32 18.924 -2.211 -4.959 1.00 2.27 H new ATOM 507 N ASN A 33 11.792 -6.603 -1.072 1.00 0.53 N ATOM 508 CA ASN A 33 11.203 -7.854 -1.556 1.00 0.67 C ATOM 509 C ASN A 33 10.699 -8.727 -0.414 1.00 0.59 C ATOM 510 O ASN A 33 10.623 -9.948 -0.535 1.00 0.69 O ATOM 511 CB ASN A 33 12.207 -8.630 -2.411 1.00 0.80 C ATOM 512 CG ASN A 33 11.638 -8.983 -3.773 1.00 1.23 C ATOM 513 OD1 ASN A 33 11.081 -10.065 -3.969 1.00 1.72 O ATOM 514 ND2 ASN A 33 11.776 -8.070 -4.724 1.00 1.78 N ATOM 0 H ASN A 33 11.328 -5.768 -1.429 1.00 0.53 H new ATOM 0 HA ASN A 33 10.344 -7.587 -2.172 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.111 -8.035 -2.539 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.497 -9.543 -1.891 1.00 0.80 H new ATOM 0 HD21 ASN A 33 11.414 -8.250 -5.661 1.00 1.78 H new ATOM 0 HD22 ASN A 33 12.244 -7.187 -4.519 1.00 1.78 H new ATOM 521 N CYS A 34 10.348 -8.095 0.690 1.00 0.47 N ATOM 522 CA CYS A 34 9.838 -8.809 1.847 1.00 0.41 C ATOM 523 C CYS A 34 8.369 -9.157 1.624 1.00 0.41 C ATOM 524 O CYS A 34 7.627 -8.374 1.032 1.00 0.48 O ATOM 525 CB CYS A 34 10.019 -7.953 3.102 1.00 0.38 C ATOM 526 SG CYS A 34 11.728 -7.436 3.379 1.00 1.16 S ATOM 0 H CYS A 34 10.407 -7.084 0.811 1.00 0.47 H new ATOM 0 HA CYS A 34 10.394 -9.737 1.985 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.388 -7.068 3.023 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.672 -8.515 3.969 1.00 0.38 H new ATOM 0 HG CYS A 34 11.771 -6.589 4.365 1.00 1.16 H new ATOM 532 N LYS A 35 7.955 -10.336 2.077 1.00 0.39 N ATOM 533 CA LYS A 35 6.575 -10.776 1.894 1.00 0.42 C ATOM 534 C LYS A 35 5.605 -9.990 2.778 1.00 0.38 C ATOM 535 O LYS A 35 5.322 -10.368 3.917 1.00 0.40 O ATOM 536 CB LYS A 35 6.440 -12.286 2.144 1.00 0.47 C ATOM 537 CG LYS A 35 7.128 -12.783 3.409 1.00 0.48 C ATOM 538 CD LYS A 35 7.100 -14.302 3.480 1.00 1.13 C ATOM 539 CE LYS A 35 8.169 -14.848 4.413 1.00 1.64 C ATOM 540 NZ LYS A 35 8.265 -16.334 4.346 1.00 2.49 N ATOM 0 H LYS A 35 8.551 -11.001 2.571 1.00 0.39 H new ATOM 0 HA LYS A 35 6.307 -10.575 0.857 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.381 -12.539 2.199 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.852 -12.821 1.288 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.160 -12.433 3.428 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.633 -12.365 4.285 1.00 0.48 H new ATOM 0 HD2 LYS A 35 6.118 -14.631 3.821 1.00 1.13 H new ATOM 0 HD3 LYS A 35 7.245 -14.714 2.482 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.133 -14.411 4.154 1.00 1.64 H new ATOM 0 HE3 LYS A 35 7.946 -14.545 5.436 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 9.006 -16.664 4.997 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 7.353 -16.753 4.618 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 8.504 -16.623 3.376 1.00 2.49 H new ATOM 554 N ILE A 36 5.106 -8.885 2.244 1.00 0.36 N ATOM 555 CA ILE A 36 4.162 -8.043 2.957 1.00 0.34 C ATOM 556 C ILE A 36 2.750 -8.573 2.782 1.00 0.33 C ATOM 557 O ILE A 36 2.278 -8.737 1.654 1.00 0.41 O ATOM 558 CB ILE A 36 4.196 -6.584 2.448 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.630 -6.071 2.339 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.378 -5.682 3.364 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.395 -6.114 3.641 1.00 0.66 C ATOM 0 H ILE A 36 5.343 -8.550 1.310 1.00 0.36 H new ATOM 0 HA ILE A 36 4.452 -8.060 4.008 1.00 0.34 H new ATOM 0 HB ILE A 36 3.755 -6.565 1.451 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.163 -6.665 1.596 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.612 -5.044 1.973 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.412 -4.658 2.992 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.344 -6.026 3.385 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.792 -5.716 4.372 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.404 -5.734 3.483 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.887 -5.497 4.382 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.446 -7.142 3.999 1.00 0.66 H new ATOM 573 N VAL A 37 2.083 -8.839 3.889 1.00 0.29 N ATOM 574 CA VAL A 37 0.714 -9.333 3.847 1.00 0.29 C ATOM 575 C VAL A 37 -0.246 -8.168 4.018 1.00 0.30 C ATOM 576 O VAL A 37 -0.018 -7.289 4.844 1.00 0.37 O ATOM 577 CB VAL A 37 0.431 -10.392 4.936 1.00 0.29 C ATOM 578 CG1 VAL A 37 -0.817 -11.193 4.597 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.629 -11.317 5.121 1.00 0.32 C ATOM 0 H VAL A 37 2.463 -8.723 4.828 1.00 0.29 H new ATOM 0 HA VAL A 37 0.571 -9.814 2.879 1.00 0.29 H new ATOM 0 HB VAL A 37 0.258 -9.869 5.877 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -0.998 -11.933 5.377 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.673 -10.522 4.529 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.676 -11.700 3.642 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.404 -12.053 5.893 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.842 -11.829 4.182 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.498 -10.731 5.420 1.00 0.32 H new ATOM 589 N THR A 38 -1.289 -8.153 3.211 1.00 0.25 N ATOM 590 CA THR A 38 -2.291 -7.103 3.259 1.00 0.26 C ATOM 591 C THR A 38 -3.669 -7.696 3.545 1.00 0.24 C ATOM 592 O THR A 38 -4.259 -8.341 2.683 1.00 0.23 O ATOM 593 CB THR A 38 -2.321 -6.344 1.917 1.00 0.27 C ATOM 594 OG1 THR A 38 -0.993 -5.896 1.595 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.277 -5.163 1.965 1.00 0.30 C ATOM 0 H THR A 38 -1.467 -8.867 2.504 1.00 0.25 H new ATOM 0 HA THR A 38 -2.032 -6.411 4.060 1.00 0.26 H new ATOM 0 HB THR A 38 -2.679 -7.024 1.144 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.008 -5.414 0.742 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.272 -4.652 1.002 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.284 -5.519 2.182 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.961 -4.471 2.745 1.00 0.30 H new ATOM 603 N GLU A 39 -4.167 -7.512 4.762 1.00 0.25 N ATOM 604 CA GLU A 39 -5.485 -8.027 5.125 1.00 0.25 C ATOM 605 C GLU A 39 -6.536 -6.941 4.943 1.00 0.24 C ATOM 606 O GLU A 39 -6.503 -5.913 5.625 1.00 0.28 O ATOM 607 CB GLU A 39 -5.497 -8.544 6.565 1.00 0.28 C ATOM 608 CG GLU A 39 -4.412 -9.567 6.860 1.00 0.38 C ATOM 609 CD GLU A 39 -4.492 -10.106 8.274 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.493 -9.295 9.227 1.00 1.39 O ATOM 611 OE2 GLU A 39 -4.538 -11.342 8.441 1.00 1.24 O ATOM 0 H GLU A 39 -3.684 -7.014 5.510 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.719 -8.863 4.467 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.382 -7.700 7.245 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.470 -8.990 6.773 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.495 -10.394 6.154 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.435 -9.111 6.703 1.00 0.38 H new ATOM 618 N VAL A 40 -7.447 -7.174 4.009 1.00 0.20 N ATOM 619 CA VAL A 40 -8.503 -6.222 3.706 1.00 0.20 C ATOM 620 C VAL A 40 -9.863 -6.725 4.166 1.00 0.21 C ATOM 621 O VAL A 40 -10.279 -7.829 3.810 1.00 0.20 O ATOM 622 CB VAL A 40 -8.580 -5.948 2.188 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.674 -4.939 1.869 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.237 -5.477 1.656 1.00 0.22 C ATOM 0 H VAL A 40 -7.474 -8.023 3.444 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.256 -5.305 4.242 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.833 -6.884 1.690 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.706 -4.765 0.793 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.636 -5.328 2.202 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.464 -4.001 2.382 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.315 -5.290 0.585 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -6.946 -4.558 2.164 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.485 -6.245 1.836 1.00 0.22 H new ATOM 634 N VAL A 41 -10.535 -5.922 4.973 1.00 0.24 N ATOM 635 CA VAL A 41 -11.870 -6.246 5.444 1.00 0.27 C ATOM 636 C VAL A 41 -12.841 -5.211 4.884 1.00 0.29 C ATOM 637 O VAL A 41 -12.593 -4.012 4.976 1.00 0.31 O ATOM 638 CB VAL A 41 -11.966 -6.279 6.986 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.377 -6.629 7.434 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.961 -7.266 7.563 1.00 0.95 C ATOM 0 H VAL A 41 -10.173 -5.033 5.318 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.121 -7.248 5.095 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.728 -5.284 7.362 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.419 -6.646 8.523 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.075 -5.882 7.055 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.649 -7.610 7.045 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.043 -7.276 8.650 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.167 -8.264 7.175 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.952 -6.967 7.278 1.00 0.95 H new ATOM 650 N GLN A 42 -13.934 -5.667 4.297 1.00 0.31 N ATOM 651 CA GLN A 42 -14.894 -4.754 3.703 1.00 0.36 C ATOM 652 C GLN A 42 -16.162 -4.650 4.536 1.00 0.30 C ATOM 653 O GLN A 42 -16.762 -5.662 4.906 1.00 0.42 O ATOM 654 CB GLN A 42 -15.241 -5.208 2.285 1.00 0.53 C ATOM 655 CG GLN A 42 -16.299 -4.351 1.607 1.00 1.14 C ATOM 656 CD GLN A 42 -16.601 -4.803 0.188 1.00 1.35 C ATOM 657 OE1 GLN A 42 -15.742 -5.354 -0.505 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.824 -4.571 -0.252 1.00 1.59 N ATOM 0 H GLN A 42 -14.177 -6.655 4.219 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.434 -3.767 3.669 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.335 -5.198 1.679 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.590 -6.240 2.319 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.216 -4.380 2.196 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -15.964 -3.314 1.590 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.505 -4.113 0.353 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.088 -4.850 -1.197 1.00 1.59 H new ATOM 667 N ASN A 43 -16.551 -3.420 4.837 1.00 0.30 N ATOM 668 CA ASN A 43 -17.753 -3.151 5.586 1.00 0.37 C ATOM 669 C ASN A 43 -18.422 -1.904 5.013 1.00 0.34 C ATOM 670 O ASN A 43 -18.082 -0.776 5.358 1.00 0.37 O ATOM 671 CB ASN A 43 -17.454 -3.008 7.086 1.00 0.53 C ATOM 672 CG ASN A 43 -16.552 -1.835 7.446 1.00 0.97 C ATOM 673 OD1 ASN A 43 -17.031 -0.781 7.862 1.00 1.44 O ATOM 674 ND2 ASN A 43 -15.247 -2.010 7.305 1.00 1.73 N ATOM 0 H ASN A 43 -16.035 -2.583 4.564 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.440 -3.992 5.491 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -18.397 -2.901 7.622 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.989 -3.928 7.439 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -14.603 -1.256 7.544 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -14.886 -2.898 6.957 1.00 1.73 H new ATOM 681 N GLY A 44 -19.318 -2.117 4.066 1.00 0.35 N ATOM 682 CA GLY A 44 -20.019 -1.012 3.442 1.00 0.37 C ATOM 683 C GLY A 44 -19.127 -0.246 2.480 1.00 0.34 C ATOM 684 O GLY A 44 -18.969 -0.634 1.324 1.00 0.40 O ATOM 0 H GLY A 44 -19.576 -3.039 3.715 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.890 -1.390 2.907 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.388 -0.335 4.212 1.00 0.37 H new ATOM 688 N ASN A 45 -18.539 0.839 2.960 1.00 0.31 N ATOM 689 CA ASN A 45 -17.648 1.654 2.141 1.00 0.29 C ATOM 690 C ASN A 45 -16.321 1.848 2.848 1.00 0.28 C ATOM 691 O ASN A 45 -15.494 2.671 2.444 1.00 0.29 O ATOM 692 CB ASN A 45 -18.276 3.014 1.832 1.00 0.32 C ATOM 693 CG ASN A 45 -18.768 3.118 0.399 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.744 4.194 -0.199 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.224 2.007 -0.163 1.00 0.43 N ATOM 0 H ASN A 45 -18.662 1.178 3.914 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.482 1.131 1.199 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.110 3.188 2.512 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.543 3.799 2.019 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.570 2.026 -1.122 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.228 1.134 0.364 1.00 0.43 H new ATOM 702 N ASP A 46 -16.119 1.091 3.912 1.00 0.30 N ATOM 703 CA ASP A 46 -14.891 1.175 4.683 1.00 0.29 C ATOM 704 C ASP A 46 -14.022 -0.050 4.432 1.00 0.28 C ATOM 705 O ASP A 46 -14.463 -1.183 4.624 1.00 0.36 O ATOM 706 CB ASP A 46 -15.207 1.299 6.175 1.00 0.33 C ATOM 707 CG ASP A 46 -13.966 1.313 7.050 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.277 2.355 7.098 1.00 1.36 O ATOM 709 OD2 ASP A 46 -13.690 0.289 7.712 1.00 1.29 O ATOM 0 H ASP A 46 -16.792 0.409 4.263 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.344 2.063 4.366 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.774 2.214 6.345 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.846 0.468 6.475 1.00 0.33 H new ATOM 714 N PHE A 47 -12.809 0.184 3.956 1.00 0.23 N ATOM 715 CA PHE A 47 -11.876 -0.894 3.691 1.00 0.23 C ATOM 716 C PHE A 47 -10.667 -0.778 4.614 1.00 0.23 C ATOM 717 O PHE A 47 -10.105 0.307 4.792 1.00 0.24 O ATOM 718 CB PHE A 47 -11.433 -0.865 2.226 1.00 0.25 C ATOM 719 CG PHE A 47 -12.540 -1.197 1.269 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.475 -0.239 0.907 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.651 -2.470 0.742 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.496 -0.545 0.033 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.671 -2.781 -0.133 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.596 -1.819 -0.486 1.00 0.34 C ATOM 0 H PHE A 47 -12.449 1.115 3.746 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.373 -1.845 3.883 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.042 0.125 1.991 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.615 -1.572 2.086 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.402 0.758 1.315 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -11.933 -3.228 1.018 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.216 0.211 -0.245 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.746 -3.778 -0.542 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.397 -2.064 -1.168 1.00 0.34 H new ATOM 734 N THR A 48 -10.286 -1.886 5.217 1.00 0.26 N ATOM 735 CA THR A 48 -9.152 -1.903 6.113 1.00 0.27 C ATOM 736 C THR A 48 -7.905 -2.408 5.408 1.00 0.28 C ATOM 737 O THR A 48 -7.972 -3.315 4.580 1.00 0.38 O ATOM 738 CB THR A 48 -9.440 -2.787 7.335 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.493 -3.705 7.021 1.00 0.53 O ATOM 740 CG2 THR A 48 -9.839 -1.940 8.531 1.00 0.56 C ATOM 0 H THR A 48 -10.748 -2.788 5.101 1.00 0.26 H new ATOM 0 HA THR A 48 -8.979 -0.878 6.442 1.00 0.27 H new ATOM 0 HB THR A 48 -8.534 -3.337 7.590 1.00 0.29 H new ATOM 0 HG1 THR A 48 -11.357 -3.249 7.095 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.038 -2.587 9.385 1.00 0.56 H new ATOM 0 HG22 THR A 48 -9.029 -1.254 8.777 1.00 0.56 H new ATOM 0 HG23 THR A 48 -10.737 -1.370 8.290 1.00 0.56 H new ATOM 748 N TRP A 49 -6.775 -1.799 5.726 1.00 0.23 N ATOM 749 CA TRP A 49 -5.502 -2.182 5.145 1.00 0.23 C ATOM 750 C TRP A 49 -4.551 -2.603 6.257 1.00 0.23 C ATOM 751 O TRP A 49 -3.992 -1.762 6.965 1.00 0.24 O ATOM 752 CB TRP A 49 -4.903 -1.018 4.346 1.00 0.25 C ATOM 753 CG TRP A 49 -4.505 -1.386 2.948 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.233 -1.480 2.456 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.381 -1.702 1.858 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.265 -1.840 1.129 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.571 -1.979 0.739 1.00 0.36 C ATOM 758 CE3 TRP A 49 -6.773 -1.773 1.718 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.108 -2.330 -0.498 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.303 -2.119 0.488 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.472 -2.389 -0.607 1.00 0.42 C ATOM 0 H TRP A 49 -6.715 -1.028 6.392 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.656 -3.018 4.462 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.629 -0.206 4.305 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.029 -0.638 4.875 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.334 -1.298 3.026 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.450 -1.981 0.533 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.421 -1.561 2.556 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.470 -2.548 -1.342 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.375 -2.182 0.370 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -6.916 -2.649 -1.557 1.00 0.42 H new ATOM 772 N THR A 50 -4.391 -3.905 6.419 1.00 0.22 N ATOM 773 CA THR A 50 -3.515 -4.444 7.445 1.00 0.24 C ATOM 774 C THR A 50 -2.220 -4.939 6.824 1.00 0.25 C ATOM 775 O THR A 50 -2.213 -5.953 6.126 1.00 0.35 O ATOM 776 CB THR A 50 -4.187 -5.603 8.189 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.605 -5.375 8.285 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.589 -5.759 9.578 1.00 0.28 C ATOM 0 H THR A 50 -4.858 -4.611 5.851 1.00 0.22 H new ATOM 0 HA THR A 50 -3.302 -3.644 8.154 1.00 0.24 H new ATOM 0 HB THR A 50 -4.014 -6.522 7.629 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.026 -5.563 7.420 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.077 -6.586 10.093 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.522 -5.963 9.494 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.739 -4.840 10.144 1.00 0.28 H new ATOM 786 N GLN A 51 -1.128 -4.236 7.083 1.00 0.22 N ATOM 787 CA GLN A 51 0.155 -4.603 6.512 1.00 0.23 C ATOM 788 C GLN A 51 1.006 -5.335 7.528 1.00 0.22 C ATOM 789 O GLN A 51 1.347 -4.787 8.580 1.00 0.24 O ATOM 790 CB GLN A 51 0.897 -3.367 6.006 1.00 0.27 C ATOM 791 CG GLN A 51 0.074 -2.501 5.061 1.00 0.56 C ATOM 792 CD GLN A 51 -0.609 -3.297 3.972 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.750 -3.719 4.126 1.00 1.62 O ATOM 794 NE2 GLN A 51 0.079 -3.508 2.863 1.00 0.82 N ATOM 0 H GLN A 51 -1.106 -3.411 7.683 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.033 -5.268 5.669 1.00 0.23 H new ATOM 0 HB2 GLN A 51 1.205 -2.765 6.860 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.806 -3.684 5.495 1.00 0.27 H new ATOM 0 HG2 GLN A 51 -0.679 -1.961 5.635 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.723 -1.754 4.604 1.00 0.56 H new ATOM 0 HE21 GLN A 51 1.026 -3.140 2.773 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -0.337 -4.038 2.098 1.00 0.82 H new ATOM 803 N HIS A 52 1.364 -6.563 7.203 1.00 0.22 N ATOM 804 CA HIS A 52 2.169 -7.377 8.093 1.00 0.23 C ATOM 805 C HIS A 52 3.573 -7.537 7.564 1.00 0.23 C ATOM 806 O HIS A 52 3.788 -8.008 6.445 1.00 0.26 O ATOM 807 CB HIS A 52 1.527 -8.746 8.305 1.00 0.24 C ATOM 808 CG HIS A 52 0.203 -8.677 8.996 1.00 0.26 C ATOM 809 ND1 HIS A 52 0.103 -8.329 10.324 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.038 -8.897 8.501 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.188 -8.342 10.601 1.00 0.37 C ATOM 812 NE2 HIS A 52 -1.914 -8.681 9.530 1.00 0.35 N ATOM 0 H HIS A 52 1.109 -7.019 6.327 1.00 0.22 H new ATOM 0 HA HIS A 52 2.221 -6.864 9.053 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.400 -9.234 7.338 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.203 -9.370 8.890 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.288 -9.187 7.491 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.605 -8.109 11.570 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -2.930 -8.763 9.488 1.00 0.35 H new ATOM 820 N PHE A 53 4.516 -7.128 8.389 1.00 0.25 N ATOM 821 CA PHE A 53 5.921 -7.205 8.052 1.00 0.27 C ATOM 822 C PHE A 53 6.535 -8.458 8.657 1.00 0.31 C ATOM 823 O PHE A 53 6.491 -8.644 9.873 1.00 0.34 O ATOM 824 CB PHE A 53 6.642 -5.964 8.580 1.00 0.24 C ATOM 825 CG PHE A 53 7.918 -5.666 7.864 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.991 -5.797 6.496 1.00 1.20 C ATOM 827 CD2 PHE A 53 9.039 -5.261 8.560 1.00 1.13 C ATOM 828 CE1 PHE A 53 9.166 -5.533 5.823 1.00 1.23 C ATOM 829 CE2 PHE A 53 10.219 -4.994 7.897 1.00 1.13 C ATOM 830 CZ PHE A 53 10.283 -5.133 6.525 1.00 0.34 C ATOM 0 H PHE A 53 4.329 -6.733 9.311 1.00 0.25 H new ATOM 0 HA PHE A 53 6.027 -7.250 6.968 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.978 -5.104 8.495 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.853 -6.100 9.641 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.118 -6.110 5.943 1.00 1.20 H new ATOM 0 HD2 PHE A 53 8.992 -5.152 9.633 1.00 1.13 H new ATOM 0 HE1 PHE A 53 9.211 -5.639 4.749 1.00 1.23 H new ATOM 0 HE2 PHE A 53 11.091 -4.677 8.450 1.00 1.13 H new ATOM 0 HZ PHE A 53 11.206 -4.929 6.003 1.00 0.34 H new ATOM 840 N PRO A 54 7.101 -9.350 7.828 1.00 0.35 N ATOM 841 CA PRO A 54 7.721 -10.584 8.318 1.00 0.41 C ATOM 842 C PRO A 54 8.920 -10.300 9.220 1.00 0.39 C ATOM 843 O PRO A 54 9.937 -9.764 8.773 1.00 0.37 O ATOM 844 CB PRO A 54 8.172 -11.295 7.038 1.00 0.46 C ATOM 845 CG PRO A 54 8.267 -10.226 6.009 1.00 0.45 C ATOM 846 CD PRO A 54 7.204 -9.227 6.362 1.00 0.39 C ATOM 0 HA PRO A 54 7.034 -11.174 8.924 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.132 -11.790 7.181 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.458 -12.063 6.742 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.255 -9.765 6.013 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.108 -10.630 5.009 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.484 -8.217 6.061 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.258 -9.455 5.871 1.00 0.39 H new ATOM 854 N GLY A 55 8.787 -10.660 10.489 1.00 0.43 N ATOM 855 CA GLY A 55 9.855 -10.436 11.444 1.00 0.46 C ATOM 856 C GLY A 55 9.999 -8.968 11.826 1.00 0.41 C ATOM 857 O GLY A 55 11.067 -8.542 12.261 1.00 0.43 O ATOM 0 H GLY A 55 7.955 -11.105 10.876 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.665 -11.024 12.342 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.795 -10.792 11.023 1.00 0.46 H new ATOM 861 N GLY A 56 8.926 -8.202 11.664 1.00 0.37 N ATOM 862 CA GLY A 56 8.969 -6.790 11.995 1.00 0.34 C ATOM 863 C GLY A 56 7.659 -6.275 12.561 1.00 0.35 C ATOM 864 O GLY A 56 6.755 -7.056 12.869 1.00 0.41 O ATOM 0 H GLY A 56 8.028 -8.533 11.310 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.765 -6.616 12.719 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.221 -6.220 11.101 1.00 0.34 H new ATOM 868 N ARG A 57 7.560 -4.957 12.697 1.00 0.34 N ATOM 869 CA ARG A 57 6.359 -4.322 13.230 1.00 0.38 C ATOM 870 C ARG A 57 5.228 -4.324 12.204 1.00 0.31 C ATOM 871 O ARG A 57 5.461 -4.219 11.002 1.00 0.28 O ATOM 872 CB ARG A 57 6.662 -2.883 13.679 1.00 0.45 C ATOM 873 CG ARG A 57 7.109 -1.956 12.554 1.00 0.43 C ATOM 874 CD ARG A 57 5.983 -1.047 12.088 1.00 0.53 C ATOM 875 NE ARG A 57 5.805 0.106 12.977 1.00 1.58 N ATOM 876 CZ ARG A 57 4.935 1.101 12.764 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.134 1.086 11.704 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.863 2.113 13.615 1.00 3.34 N ATOM 0 H ARG A 57 8.302 -4.304 12.444 1.00 0.34 H new ATOM 0 HA ARG A 57 6.035 -4.901 14.094 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.770 -2.465 14.146 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.439 -2.909 14.443 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.948 -1.349 12.895 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.467 -2.551 11.714 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.194 -0.697 11.078 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.054 -1.615 12.041 1.00 0.53 H new ATOM 0 HE ARG A 57 6.384 0.153 13.815 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.178 0.311 11.042 1.00 2.27 H new ATOM 0 HH12 ARG A 57 3.475 1.850 11.552 1.00 2.27 H new ATOM 0 HH21 ARG A 57 5.471 2.135 14.434 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.200 2.871 13.452 1.00 3.34 H new ATOM 892 N THR A 58 4.004 -4.456 12.695 1.00 0.36 N ATOM 893 CA THR A 58 2.830 -4.462 11.841 1.00 0.31 C ATOM 894 C THR A 58 2.201 -3.068 11.794 1.00 0.28 C ATOM 895 O THR A 58 2.481 -2.223 12.650 1.00 0.33 O ATOM 896 CB THR A 58 1.797 -5.501 12.323 1.00 0.35 C ATOM 897 OG1 THR A 58 0.807 -5.716 11.314 1.00 0.34 O ATOM 898 CG2 THR A 58 1.119 -5.059 13.615 1.00 0.39 C ATOM 0 H THR A 58 3.800 -4.561 13.689 1.00 0.36 H new ATOM 0 HA THR A 58 3.145 -4.741 10.835 1.00 0.31 H new ATOM 0 HB THR A 58 2.331 -6.431 12.518 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.731 -6.675 11.129 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.398 -5.815 13.925 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.870 -4.933 14.395 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.604 -4.113 13.450 1.00 0.39 H new ATOM 906 N THR A 59 1.380 -2.817 10.782 1.00 0.25 N ATOM 907 CA THR A 59 0.733 -1.523 10.620 1.00 0.27 C ATOM 908 C THR A 59 -0.671 -1.686 10.028 1.00 0.24 C ATOM 909 O THR A 59 -0.821 -2.114 8.884 1.00 0.36 O ATOM 910 CB THR A 59 1.587 -0.614 9.709 1.00 0.32 C ATOM 911 OG1 THR A 59 2.976 -0.786 10.027 1.00 0.49 O ATOM 912 CG2 THR A 59 1.210 0.845 9.878 1.00 0.48 C ATOM 0 H THR A 59 1.146 -3.497 10.058 1.00 0.25 H new ATOM 0 HA THR A 59 0.641 -1.061 11.603 1.00 0.27 H new ATOM 0 HB THR A 59 1.401 -0.899 8.674 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.523 -0.298 9.377 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.829 1.459 9.224 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.160 0.982 9.618 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.370 1.144 10.914 1.00 0.48 H new ATOM 920 N THR A 60 -1.692 -1.353 10.814 1.00 0.26 N ATOM 921 CA THR A 60 -3.073 -1.475 10.361 1.00 0.23 C ATOM 922 C THR A 60 -3.735 -0.110 10.175 1.00 0.22 C ATOM 923 O THR A 60 -3.593 0.783 11.017 1.00 0.26 O ATOM 924 CB THR A 60 -3.916 -2.301 11.352 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.175 -3.440 11.812 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.213 -2.754 10.696 1.00 0.24 C ATOM 0 H THR A 60 -1.589 -0.998 11.765 1.00 0.26 H new ATOM 0 HA THR A 60 -3.034 -1.985 9.398 1.00 0.23 H new ATOM 0 HB THR A 60 -4.156 -1.670 12.208 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.722 -3.954 12.442 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.797 -3.336 11.409 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.787 -1.882 10.383 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.985 -3.369 9.826 1.00 0.24 H new ATOM 934 N ASN A 61 -4.455 0.044 9.067 1.00 0.25 N ATOM 935 CA ASN A 61 -5.160 1.285 8.764 1.00 0.26 C ATOM 936 C ASN A 61 -6.581 0.980 8.323 1.00 0.29 C ATOM 937 O ASN A 61 -6.869 -0.106 7.825 1.00 0.51 O ATOM 938 CB ASN A 61 -4.455 2.086 7.655 1.00 0.36 C ATOM 939 CG ASN A 61 -2.951 2.174 7.833 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.446 3.104 8.453 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.227 1.218 7.273 1.00 1.72 N ATOM 0 H ASN A 61 -4.566 -0.682 8.359 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.166 1.886 9.673 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.672 1.625 6.691 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.869 3.094 7.627 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.210 1.238 7.349 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.686 0.461 6.766 1.00 1.72 H new ATOM 948 N SER A 62 -7.465 1.939 8.513 1.00 0.21 N ATOM 949 CA SER A 62 -8.855 1.792 8.129 1.00 0.25 C ATOM 950 C SER A 62 -9.311 3.057 7.424 1.00 0.23 C ATOM 951 O SER A 62 -9.198 4.151 7.979 1.00 0.29 O ATOM 952 CB SER A 62 -9.700 1.530 9.372 1.00 0.34 C ATOM 953 OG SER A 62 -9.447 2.504 10.372 1.00 1.04 O ATOM 0 H SER A 62 -7.241 2.840 8.937 1.00 0.21 H new ATOM 0 HA SER A 62 -8.971 0.948 7.449 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.757 1.542 9.107 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.480 0.536 9.763 1.00 0.34 H new ATOM 0 HG SER A 62 -9.230 3.360 9.947 1.00 1.04 H new ATOM 959 N PHE A 63 -9.812 2.922 6.204 1.00 0.18 N ATOM 960 CA PHE A 63 -10.243 4.087 5.451 1.00 0.17 C ATOM 961 C PHE A 63 -11.620 3.897 4.833 1.00 0.18 C ATOM 962 O PHE A 63 -11.943 2.837 4.295 1.00 0.24 O ATOM 963 CB PHE A 63 -9.217 4.440 4.366 1.00 0.17 C ATOM 964 CG PHE A 63 -9.020 3.363 3.331 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.080 2.364 3.520 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.780 3.353 2.174 1.00 0.88 C ATOM 967 CE1 PHE A 63 -7.904 1.373 2.573 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.609 2.365 1.227 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.670 1.374 1.425 1.00 0.23 C ATOM 0 H PHE A 63 -9.928 2.031 5.722 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.314 4.914 6.157 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.533 5.356 3.866 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.259 4.651 4.842 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.478 2.359 4.417 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.515 4.127 2.011 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.168 0.599 2.731 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.211 2.367 0.330 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.535 0.601 0.683 1.00 0.23 H new ATOM 979 N THR A 64 -12.424 4.941 4.915 1.00 0.17 N ATOM 980 CA THR A 64 -13.755 4.925 4.358 1.00 0.19 C ATOM 981 C THR A 64 -13.792 5.786 3.100 1.00 0.18 C ATOM 982 O THR A 64 -13.287 6.909 3.099 1.00 0.19 O ATOM 983 CB THR A 64 -14.781 5.446 5.386 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.835 4.569 6.520 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.165 5.582 4.769 1.00 0.22 C ATOM 0 H THR A 64 -12.170 5.819 5.369 1.00 0.17 H new ATOM 0 HA THR A 64 -14.017 3.898 4.103 1.00 0.19 H new ATOM 0 HB THR A 64 -14.456 6.435 5.710 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.148 3.875 6.430 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.863 5.951 5.520 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.124 6.283 3.935 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.500 4.609 4.409 1.00 0.22 H new ATOM 993 N ILE A 65 -14.337 5.237 2.020 1.00 0.18 N ATOM 994 CA ILE A 65 -14.450 5.965 0.762 1.00 0.18 C ATOM 995 C ILE A 65 -15.177 7.301 0.958 1.00 0.21 C ATOM 996 O ILE A 65 -16.266 7.351 1.533 1.00 0.24 O ATOM 997 CB ILE A 65 -15.190 5.124 -0.298 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.493 3.771 -0.494 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.280 5.874 -1.616 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.053 3.878 -0.962 1.00 0.19 C ATOM 0 H ILE A 65 -14.708 4.287 1.991 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.438 6.165 0.411 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.204 4.942 0.059 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.518 3.222 0.447 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.057 3.185 -1.220 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.806 5.261 -2.348 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.823 6.807 -1.467 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.276 6.092 -1.980 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.632 2.879 -1.076 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.019 4.398 -1.920 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.472 4.434 -0.227 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.535 8.375 0.486 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.050 9.748 0.579 1.00 0.23 C ATOM 1014 C ASP A 66 -15.000 10.239 2.024 1.00 0.23 C ATOM 1015 O ASP A 66 -15.748 11.129 2.427 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.473 9.863 0.014 1.00 0.27 C ATOM 1017 CG ASP A 66 -16.824 11.289 -0.378 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.262 11.789 -1.378 1.00 1.10 O ATOM 1019 OD2 ASP A 66 -17.672 11.913 0.293 1.00 1.04 O ATOM 0 H ASP A 66 -13.629 8.315 0.021 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.407 10.384 -0.030 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.569 9.215 -0.857 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.187 9.507 0.757 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.097 9.660 2.793 1.00 0.21 N ATOM 1025 CA LYS A 67 -13.935 10.015 4.189 1.00 0.22 C ATOM 1026 C LYS A 67 -12.456 10.119 4.545 1.00 0.21 C ATOM 1027 O LYS A 67 -11.632 9.370 4.014 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.617 8.959 5.059 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.320 9.081 6.540 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.086 10.224 7.172 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.588 10.502 8.576 1.00 1.15 C ATOM 1032 NZ LYS A 67 -15.653 11.069 9.441 1.00 1.59 N ATOM 0 H LYS A 67 -13.458 8.934 2.469 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.396 10.986 4.369 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.695 9.024 4.910 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.308 7.971 4.719 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.579 8.148 7.041 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.251 9.235 6.685 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.979 11.120 6.561 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.149 9.982 7.201 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.215 9.578 9.018 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.749 11.196 8.532 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -15.271 11.244 10.392 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.992 11.964 9.033 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -16.444 10.396 9.504 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.119 11.064 5.416 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.741 11.228 5.861 1.00 0.26 C ATOM 1048 C GLU A 68 -10.396 10.120 6.851 1.00 0.23 C ATOM 1049 O GLU A 68 -11.118 9.895 7.825 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.526 12.601 6.507 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.062 12.956 6.704 1.00 1.35 C ATOM 1052 CD GLU A 68 -8.879 14.246 7.469 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.134 15.321 6.891 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -8.495 14.191 8.657 1.00 2.51 O ATOM 0 H GLU A 68 -12.778 11.725 5.826 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.084 11.163 4.993 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -10.996 13.363 5.886 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.030 12.622 7.473 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -8.564 12.147 7.238 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.578 13.042 5.731 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.300 9.430 6.599 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.885 8.333 7.453 1.00 0.18 C ATOM 1063 C ALA A 69 -7.534 8.596 8.089 1.00 0.21 C ATOM 1064 O ALA A 69 -6.748 9.403 7.589 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.834 7.048 6.647 1.00 0.18 C ATOM 0 H ALA A 69 -8.680 9.610 5.809 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.617 8.238 8.255 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.522 6.226 7.292 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.822 6.835 6.240 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.121 7.159 5.830 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.273 7.910 9.194 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.010 8.039 9.897 1.00 0.24 C ATOM 1073 C ASP A 70 -5.116 6.913 9.435 1.00 0.22 C ATOM 1074 O ASP A 70 -5.437 5.737 9.610 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.200 7.982 11.416 1.00 0.31 C ATOM 1076 CG ASP A 70 -7.064 9.114 11.936 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -8.298 9.062 11.741 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -6.517 10.050 12.544 1.00 1.87 O ATOM 0 H ASP A 70 -7.927 7.255 9.623 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.563 9.008 9.673 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.654 7.029 11.687 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.225 8.020 11.903 1.00 0.31 H new ATOM 1083 N MET A 71 -4.011 7.269 8.816 1.00 0.20 N ATOM 1084 CA MET A 71 -3.104 6.278 8.286 1.00 0.20 C ATOM 1085 C MET A 71 -1.724 6.387 8.902 1.00 0.22 C ATOM 1086 O MET A 71 -1.397 7.360 9.585 1.00 0.26 O ATOM 1087 CB MET A 71 -2.994 6.434 6.779 1.00 0.22 C ATOM 1088 CG MET A 71 -4.339 6.473 6.092 1.00 0.19 C ATOM 1089 SD MET A 71 -4.344 7.547 4.654 1.00 0.20 S ATOM 1090 CE MET A 71 -6.085 7.524 4.280 1.00 0.20 C ATOM 0 H MET A 71 -3.721 8.236 8.668 1.00 0.20 H new ATOM 0 HA MET A 71 -3.509 5.297 8.535 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.449 7.351 6.553 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.409 5.608 6.375 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.618 5.464 5.789 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.095 6.814 6.799 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.240 7.845 3.250 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.471 6.513 4.407 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.611 8.200 4.954 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.935 5.363 8.657 1.00 0.24 N ATOM 1101 CA GLU A 72 0.425 5.292 9.132 1.00 0.25 C ATOM 1102 C GLU A 72 1.209 4.333 8.250 1.00 0.26 C ATOM 1103 O GLU A 72 0.688 3.299 7.821 1.00 0.29 O ATOM 1104 CB GLU A 72 0.452 4.837 10.593 1.00 0.28 C ATOM 1105 CG GLU A 72 1.832 4.488 11.120 1.00 0.30 C ATOM 1106 CD GLU A 72 1.847 4.301 12.620 1.00 0.67 C ATOM 1107 OE1 GLU A 72 0.959 4.848 13.311 1.00 1.47 O ATOM 1108 OE2 GLU A 72 2.757 3.612 13.123 1.00 1.32 O ATOM 0 H GLU A 72 -1.226 4.549 8.116 1.00 0.24 H new ATOM 0 HA GLU A 72 0.885 6.279 9.081 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.029 5.627 11.214 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.195 3.966 10.701 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.181 3.574 10.639 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.532 5.278 10.848 1.00 0.30 H new ATOM 1115 N THR A 73 2.443 4.686 7.955 1.00 0.26 N ATOM 1116 CA THR A 73 3.289 3.853 7.125 1.00 0.28 C ATOM 1117 C THR A 73 4.173 2.982 7.997 1.00 0.30 C ATOM 1118 O THR A 73 4.195 3.129 9.221 1.00 0.36 O ATOM 1119 CB THR A 73 4.202 4.686 6.199 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.257 5.280 6.964 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.426 5.783 5.493 1.00 0.32 C ATOM 0 H THR A 73 2.884 5.547 8.279 1.00 0.26 H new ATOM 0 HA THR A 73 2.626 3.246 6.509 1.00 0.28 H new ATOM 0 HB THR A 73 4.614 4.013 5.447 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.994 5.528 6.368 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.100 6.349 4.850 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.636 5.338 4.888 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.985 6.451 6.233 1.00 0.32 H new ATOM 1129 N MET A 74 4.912 2.083 7.369 1.00 0.32 N ATOM 1130 CA MET A 74 5.827 1.225 8.096 1.00 0.34 C ATOM 1131 C MET A 74 7.083 2.012 8.433 1.00 0.31 C ATOM 1132 O MET A 74 7.979 1.517 9.113 1.00 0.37 O ATOM 1133 CB MET A 74 6.181 -0.020 7.282 1.00 0.42 C ATOM 1134 CG MET A 74 5.217 -1.170 7.496 1.00 0.76 C ATOM 1135 SD MET A 74 5.599 -2.603 6.470 1.00 0.93 S ATOM 1136 CE MET A 74 4.334 -3.750 7.013 1.00 1.05 C ATOM 0 H MET A 74 4.895 1.930 6.361 1.00 0.32 H new ATOM 0 HA MET A 74 5.344 0.891 9.014 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.197 0.239 6.223 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.187 -0.345 7.546 1.00 0.42 H new ATOM 0 HG2 MET A 74 5.237 -1.464 8.545 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.203 -0.833 7.279 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.531 -4.736 6.591 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.343 -3.813 8.101 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.358 -3.400 6.677 1.00 1.05 H new ATOM 1146 N GLY A 75 7.136 3.247 7.938 1.00 0.28 N ATOM 1147 CA GLY A 75 8.263 4.108 8.198 1.00 0.31 C ATOM 1148 C GLY A 75 8.073 4.869 9.496 1.00 0.35 C ATOM 1149 O GLY A 75 8.944 5.627 9.923 1.00 0.48 O ATOM 0 H GLY A 75 6.408 3.663 7.357 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.175 3.514 8.250 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.387 4.811 7.374 1.00 0.31 H new ATOM 1153 N GLY A 76 6.915 4.665 10.120 1.00 0.34 N ATOM 1154 CA GLY A 76 6.607 5.325 11.373 1.00 0.39 C ATOM 1155 C GLY A 76 5.980 6.687 11.159 1.00 0.38 C ATOM 1156 O GLY A 76 6.087 7.573 12.007 1.00 0.48 O ATOM 0 H GLY A 76 6.180 4.048 9.774 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.928 4.701 11.954 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.520 5.434 11.959 1.00 0.39 H new ATOM 1160 N ARG A 77 5.324 6.852 10.022 1.00 0.38 N ATOM 1161 CA ARG A 77 4.696 8.122 9.680 1.00 0.38 C ATOM 1162 C ARG A 77 3.201 8.090 9.941 1.00 0.37 C ATOM 1163 O ARG A 77 2.487 7.262 9.384 1.00 0.36 O ATOM 1164 CB ARG A 77 4.954 8.449 8.214 1.00 0.37 C ATOM 1165 CG ARG A 77 6.387 8.218 7.799 1.00 0.39 C ATOM 1166 CD ARG A 77 6.523 8.181 6.294 1.00 0.43 C ATOM 1167 NE ARG A 77 6.899 9.473 5.728 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.347 9.616 4.484 1.00 0.67 C ATOM 1169 NH1 ARG A 77 7.493 8.545 3.720 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.663 10.815 4.015 1.00 0.85 N ATOM 0 H ARG A 77 5.211 6.123 9.318 1.00 0.38 H new ATOM 0 HA ARG A 77 5.134 8.894 10.312 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.299 7.840 7.591 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.692 9.491 8.029 1.00 0.37 H new ATOM 0 HG2 ARG A 77 7.017 9.010 8.204 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.744 7.279 8.222 1.00 0.39 H new ATOM 0 HD2 ARG A 77 7.271 7.438 6.020 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.578 7.859 5.856 1.00 0.43 H new ATOM 0 HE ARG A 77 6.814 10.304 6.313 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.263 7.622 4.087 1.00 0.80 H new ATOM 0 HH12 ARG A 77 7.836 8.643 2.764 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.563 11.638 4.610 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.006 10.915 3.060 1.00 0.85 H new ATOM 1184 N LYS A 78 2.736 8.996 10.789 1.00 0.42 N ATOM 1185 CA LYS A 78 1.323 9.090 11.124 1.00 0.43 C ATOM 1186 C LYS A 78 0.722 10.283 10.397 1.00 0.39 C ATOM 1187 O LYS A 78 1.256 11.390 10.473 1.00 0.44 O ATOM 1188 CB LYS A 78 1.130 9.233 12.636 1.00 0.57 C ATOM 1189 CG LYS A 78 1.600 8.022 13.434 1.00 0.75 C ATOM 1190 CD LYS A 78 3.070 8.134 13.820 1.00 1.12 C ATOM 1191 CE LYS A 78 3.669 6.780 14.174 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.791 5.990 15.081 1.00 1.76 N ATOM 0 H LYS A 78 3.324 9.683 11.262 1.00 0.42 H new ATOM 0 HA LYS A 78 0.818 8.177 10.810 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.670 10.115 12.980 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.074 9.405 12.843 1.00 0.57 H new ATOM 0 HG2 LYS A 78 0.994 7.923 14.335 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.447 7.117 12.846 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.630 8.574 12.994 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.172 8.809 14.670 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.845 6.214 13.260 1.00 1.69 H new ATOM 0 HE3 LYS A 78 4.639 6.928 14.649 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.272 5.107 15.347 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 2.587 6.545 15.937 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 1.900 5.766 14.593 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.384 10.061 9.694 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.021 11.123 8.921 1.00 0.31 C ATOM 1208 C PHE A 79 -2.476 10.792 8.613 1.00 0.28 C ATOM 1209 O PHE A 79 -2.968 9.724 8.964 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.252 11.324 7.610 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.105 10.064 6.814 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.953 9.210 7.054 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.027 9.724 5.838 1.00 1.17 C ATOM 1214 CE1 PHE A 79 1.093 8.043 6.341 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -0.894 8.553 5.118 1.00 1.16 C ATOM 1216 CZ PHE A 79 0.167 7.709 5.370 1.00 0.26 C ATOM 0 H PHE A 79 -0.857 9.159 9.643 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.002 12.037 9.514 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.767 12.070 7.005 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.738 11.722 7.834 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.680 9.462 7.812 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -1.860 10.382 5.638 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.927 7.386 6.539 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.619 8.299 4.359 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.274 6.791 4.811 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.161 11.721 7.959 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.551 11.541 7.580 1.00 0.33 C ATOM 1228 C LYS A 80 -4.741 11.937 6.127 1.00 0.27 C ATOM 1229 O LYS A 80 -4.140 12.909 5.658 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.467 12.378 8.472 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.531 11.889 9.911 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.073 12.953 10.898 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.251 13.637 11.580 1.00 1.64 C ATOM 1234 NZ LYS A 80 -6.862 14.699 10.734 1.00 2.55 N ATOM 0 H LYS A 80 -2.767 12.619 7.678 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.813 10.491 7.707 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.122 13.412 8.464 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.472 12.374 8.051 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.553 11.592 10.147 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -4.908 11.002 10.020 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -4.431 12.497 11.652 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.472 13.698 10.376 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -7.008 12.892 11.825 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -5.918 14.074 12.521 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -7.647 15.145 11.250 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -6.145 15.417 10.507 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -7.221 14.278 9.853 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.569 11.187 5.420 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.829 11.450 4.012 1.00 0.20 C ATOM 1250 C ALA A 81 -7.225 10.991 3.619 1.00 0.19 C ATOM 1251 O ALA A 81 -7.859 10.216 4.334 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.777 10.768 3.148 1.00 0.21 C ATOM 0 H ALA A 81 -6.076 10.387 5.799 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.773 12.526 3.848 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -4.982 10.972 2.097 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.790 11.151 3.406 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.805 9.692 3.321 1.00 0.21 H new ATOM 1258 N THR A 82 -7.704 11.484 2.488 1.00 0.19 N ATOM 1259 CA THR A 82 -9.021 11.127 1.992 1.00 0.19 C ATOM 1260 C THR A 82 -8.900 10.161 0.815 1.00 0.20 C ATOM 1261 O THR A 82 -8.114 10.386 -0.109 1.00 0.28 O ATOM 1262 CB THR A 82 -9.808 12.380 1.557 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.314 13.532 2.258 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.300 12.215 1.841 1.00 0.25 C ATOM 0 H THR A 82 -7.195 12.138 1.893 1.00 0.19 H new ATOM 0 HA THR A 82 -9.564 10.641 2.803 1.00 0.19 H new ATOM 0 HB THR A 82 -9.671 12.513 0.484 1.00 0.23 H new ATOM 0 HG1 THR A 82 -9.816 14.326 1.977 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.832 13.112 1.525 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.682 11.354 1.292 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.452 12.060 2.909 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.679 9.090 0.854 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.648 8.081 -0.191 1.00 0.15 C ATOM 1274 C VAL A 83 -10.985 8.024 -0.915 1.00 0.16 C ATOM 1275 O VAL A 83 -12.030 8.182 -0.294 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.332 6.689 0.396 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.299 5.637 -0.694 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.018 6.708 1.159 1.00 0.19 C ATOM 0 H VAL A 83 -10.344 8.898 1.604 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.863 8.357 -0.895 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.129 6.432 1.094 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.074 4.665 -0.255 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.269 5.596 -1.190 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.530 5.892 -1.423 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.817 5.716 1.563 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.210 6.996 0.486 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.082 7.426 1.976 1.00 0.19 H new ATOM 1288 N LYS A 84 -10.953 7.800 -2.220 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.171 7.715 -3.010 1.00 0.19 C ATOM 1290 C LYS A 84 -12.140 6.460 -3.875 1.00 0.19 C ATOM 1291 O LYS A 84 -11.155 5.721 -3.871 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.341 8.969 -3.877 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.131 9.278 -4.738 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.033 10.757 -5.057 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.713 11.090 -5.733 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.486 12.557 -5.805 1.00 1.14 N ATOM 0 H LYS A 84 -10.094 7.674 -2.755 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.025 7.655 -2.336 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.212 8.841 -4.520 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.545 9.823 -3.231 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.226 8.956 -4.223 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.189 8.709 -5.666 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.860 11.047 -5.706 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.130 11.336 -4.139 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -8.895 10.622 -5.185 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.704 10.671 -6.739 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.576 12.745 -6.272 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.253 13.001 -6.349 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.470 12.953 -4.844 1.00 1.14 H new ATOM 1310 N MET A 85 -13.214 6.210 -4.605 1.00 0.21 N ATOM 1311 CA MET A 85 -13.291 5.034 -5.460 1.00 0.22 C ATOM 1312 C MET A 85 -13.761 5.418 -6.855 1.00 0.28 C ATOM 1313 O MET A 85 -14.874 5.911 -7.027 1.00 0.41 O ATOM 1314 CB MET A 85 -14.239 4.003 -4.854 1.00 0.23 C ATOM 1315 CG MET A 85 -13.584 2.678 -4.527 1.00 0.21 C ATOM 1316 SD MET A 85 -14.772 1.475 -3.914 1.00 0.26 S ATOM 1317 CE MET A 85 -13.677 0.334 -3.088 1.00 0.25 C ATOM 0 H MET A 85 -14.044 6.803 -4.624 1.00 0.21 H new ATOM 0 HA MET A 85 -12.295 4.598 -5.536 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.674 4.416 -3.944 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.061 3.828 -5.549 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.096 2.284 -5.419 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.806 2.833 -3.780 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.230 -0.562 -2.806 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.862 0.061 -3.759 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.268 0.805 -2.194 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.918 5.181 -7.849 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.248 5.516 -9.228 1.00 0.32 C ATOM 1329 C GLU A 86 -13.243 4.269 -10.105 1.00 0.29 C ATOM 1330 O GLU A 86 -12.198 3.660 -10.322 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.254 6.545 -9.771 1.00 0.48 C ATOM 1332 CG GLU A 86 -12.048 7.736 -8.849 1.00 1.22 C ATOM 1333 CD GLU A 86 -12.206 9.061 -9.563 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -11.277 9.465 -10.294 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -13.260 9.709 -9.399 1.00 2.67 O ATOM 0 H GLU A 86 -11.998 4.757 -7.727 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.250 5.944 -9.247 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.294 6.057 -9.940 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.605 6.902 -10.739 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -12.763 7.683 -8.028 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -11.052 7.682 -8.409 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.422 3.882 -10.580 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.537 2.717 -11.443 1.00 0.46 C ATOM 1344 C GLY A 87 -14.225 1.422 -10.720 1.00 0.38 C ATOM 1345 O GLY A 87 -13.719 0.473 -11.319 1.00 0.36 O ATOM 0 H GLY A 87 -15.304 4.355 -10.383 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.548 2.668 -11.848 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -13.859 2.828 -12.290 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.538 1.382 -9.430 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.280 0.193 -8.641 1.00 0.33 C ATOM 1351 C GLY A 88 -12.813 0.048 -8.307 1.00 0.27 C ATOM 1352 O GLY A 88 -12.306 -1.063 -8.141 1.00 0.32 O ATOM 0 H GLY A 88 -14.966 2.152 -8.917 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.860 0.236 -7.719 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.617 -0.687 -9.189 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.127 1.175 -8.231 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.710 1.199 -7.914 1.00 0.19 C ATOM 1358 C LYS A 89 -10.478 2.177 -6.781 1.00 0.17 C ATOM 1359 O LYS A 89 -10.942 3.317 -6.838 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.881 1.611 -9.135 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.300 0.911 -10.418 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.312 1.160 -11.545 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.769 0.505 -12.840 1.00 1.06 C ATOM 1364 NZ LYS A 89 -8.650 0.342 -13.802 1.00 1.76 N ATOM 0 H LYS A 89 -12.535 2.097 -8.387 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.396 0.198 -7.616 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -9.965 2.689 -9.274 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.830 1.396 -8.940 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.382 -0.161 -10.237 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.288 1.261 -10.717 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.197 2.233 -11.699 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.333 0.771 -11.265 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -10.204 -0.470 -12.620 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -10.554 1.109 -13.295 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -9.032 0.219 -14.761 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -8.044 1.187 -13.776 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -8.089 -0.495 -13.543 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.792 1.731 -5.746 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.523 2.588 -4.609 1.00 0.16 C ATOM 1380 C ILE A 90 -8.349 3.512 -4.894 1.00 0.17 C ATOM 1381 O ILE A 90 -7.211 3.059 -5.011 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.231 1.778 -3.331 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.223 0.615 -3.190 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.297 2.697 -2.129 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.455 0.164 -1.760 1.00 0.20 C ATOM 0 H ILE A 90 -9.413 0.787 -5.669 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.423 3.179 -4.443 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.230 1.351 -3.395 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.177 0.912 -3.625 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.858 -0.232 -3.771 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.091 2.127 -1.223 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.556 3.489 -2.236 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.292 3.137 -2.062 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.168 -0.660 -1.750 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.512 -0.167 -1.325 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.852 0.995 -1.176 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.633 4.801 -5.037 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.595 5.781 -5.298 1.00 0.17 C ATOM 1399 C VAL A 91 -7.446 6.743 -4.120 1.00 0.16 C ATOM 1400 O VAL A 91 -8.420 7.345 -3.660 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.879 6.568 -6.599 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.296 7.108 -6.611 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.869 7.694 -6.788 1.00 0.25 C ATOM 0 H VAL A 91 -9.575 5.188 -4.976 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.658 5.240 -5.426 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.775 5.877 -7.435 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.468 7.657 -7.537 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.002 6.280 -6.543 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.438 7.776 -5.761 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.091 8.231 -7.710 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.928 8.381 -5.944 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.864 7.276 -6.845 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.226 6.856 -3.621 1.00 0.18 N ATOM 1414 CA ALA A 92 -5.927 7.747 -2.510 1.00 0.19 C ATOM 1415 C ALA A 92 -5.247 9.013 -3.016 1.00 0.20 C ATOM 1416 O ALA A 92 -4.437 8.956 -3.946 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.041 7.045 -1.490 1.00 0.22 C ATOM 0 H ALA A 92 -5.420 6.338 -3.971 1.00 0.18 H new ATOM 0 HA ALA A 92 -6.864 8.023 -2.025 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.826 7.725 -0.665 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.554 6.162 -1.109 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.107 6.745 -1.965 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.573 10.147 -2.411 1.00 0.22 N ATOM 1424 CA ASP A 93 -4.983 11.418 -2.821 1.00 0.26 C ATOM 1425 C ASP A 93 -3.889 11.848 -1.860 1.00 0.22 C ATOM 1426 O ASP A 93 -4.120 11.982 -0.657 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.045 12.508 -2.909 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.452 13.874 -3.195 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.029 14.114 -4.348 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.403 14.718 -2.272 1.00 1.19 O ATOM 0 H ASP A 93 -6.237 10.215 -1.640 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.545 11.271 -3.808 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.758 12.254 -3.693 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.601 12.546 -1.972 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.703 12.054 -2.412 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.541 12.474 -1.640 1.00 0.21 C ATOM 1437 C PHE A 94 -0.702 13.444 -2.457 1.00 0.24 C ATOM 1438 O PHE A 94 -0.878 13.547 -3.674 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.683 11.264 -1.265 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.290 10.403 -0.200 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.114 10.707 1.139 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -2.047 9.294 -0.540 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.683 9.922 2.119 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.619 8.505 0.438 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.437 8.820 1.768 1.00 0.25 C ATOM 0 H PHE A 94 -2.518 11.935 -3.408 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.890 12.962 -0.730 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.514 10.659 -2.156 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.293 11.612 -0.926 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.525 11.568 1.419 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.191 9.044 -1.581 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.539 10.169 3.161 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.208 7.643 0.162 1.00 1.14 H new ATOM 0 HZ PHE A 94 -2.884 8.205 2.535 1.00 0.25 H new ATOM 1455 N PRO A 95 0.226 14.169 -1.814 1.00 0.26 N ATOM 1456 CA PRO A 95 1.086 15.105 -2.514 1.00 0.29 C ATOM 1457 C PRO A 95 2.200 14.375 -3.255 1.00 0.26 C ATOM 1458 O PRO A 95 3.066 13.758 -2.631 1.00 0.27 O ATOM 1459 CB PRO A 95 1.663 15.990 -1.403 1.00 0.36 C ATOM 1460 CG PRO A 95 1.160 15.453 -0.103 1.00 0.32 C ATOM 1461 CD PRO A 95 0.512 14.129 -0.373 1.00 0.28 C ATOM 0 HA PRO A 95 0.547 15.678 -3.269 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.753 15.978 -1.428 1.00 0.36 H new ATOM 0 HB3 PRO A 95 1.353 17.026 -1.537 1.00 0.36 H new ATOM 0 HG2 PRO A 95 1.980 15.339 0.606 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.445 16.144 0.344 1.00 0.32 H new ATOM 0 HD2 PRO A 95 1.173 13.300 -0.119 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.398 14.002 0.213 1.00 0.28 H new ATOM 1469 N ASN A 96 2.150 14.436 -4.583 1.00 0.27 N ATOM 1470 CA ASN A 96 3.138 13.786 -5.450 1.00 0.29 C ATOM 1471 C ASN A 96 3.062 12.262 -5.323 1.00 0.28 C ATOM 1472 O ASN A 96 3.961 11.541 -5.754 1.00 0.37 O ATOM 1473 CB ASN A 96 4.558 14.279 -5.129 1.00 0.35 C ATOM 1474 CG ASN A 96 5.565 13.895 -6.199 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.258 13.899 -7.396 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.773 13.560 -5.778 1.00 1.50 N ATOM 0 H ASN A 96 1.423 14.938 -5.093 1.00 0.27 H new ATOM 0 HA ASN A 96 2.904 14.056 -6.480 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.546 15.363 -5.019 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.875 13.865 -4.172 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.491 13.292 -6.451 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.986 13.570 -4.781 1.00 1.50 H new ATOM 1483 N TYR A 97 1.973 11.775 -4.744 1.00 0.23 N ATOM 1484 CA TYR A 97 1.787 10.348 -4.555 1.00 0.21 C ATOM 1485 C TYR A 97 0.361 9.960 -4.915 1.00 0.21 C ATOM 1486 O TYR A 97 -0.603 10.546 -4.423 1.00 0.24 O ATOM 1487 CB TYR A 97 2.102 9.968 -3.100 1.00 0.22 C ATOM 1488 CG TYR A 97 2.346 8.485 -2.860 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.340 7.547 -3.071 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.576 8.034 -2.399 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.556 6.203 -2.836 1.00 1.14 C ATOM 1492 CE2 TYR A 97 3.800 6.693 -2.164 1.00 1.31 C ATOM 1493 CZ TYR A 97 2.787 5.781 -2.381 1.00 0.32 C ATOM 1494 OH TYR A 97 3.005 4.444 -2.146 1.00 0.38 O ATOM 0 H TYR A 97 1.205 12.350 -4.397 1.00 0.23 H new ATOM 0 HA TYR A 97 2.469 9.805 -5.210 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.984 10.522 -2.778 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.274 10.291 -2.469 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.374 7.875 -3.425 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.370 8.744 -2.222 1.00 1.28 H new ATOM 0 HE1 TYR A 97 0.766 5.487 -3.008 1.00 1.14 H new ATOM 0 HE2 TYR A 97 4.764 6.358 -1.812 1.00 1.31 H new ATOM 0 HH TYR A 97 3.923 4.313 -1.830 1.00 0.38 H new ATOM 1504 N HIS A 98 0.242 8.977 -5.782 1.00 0.21 N ATOM 1505 CA HIS A 98 -1.051 8.495 -6.226 1.00 0.22 C ATOM 1506 C HIS A 98 -1.120 6.991 -6.018 1.00 0.21 C ATOM 1507 O HIS A 98 -0.352 6.251 -6.619 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.258 8.835 -7.699 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.614 9.389 -8.003 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.127 10.502 -7.376 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.559 8.983 -8.880 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.329 10.756 -7.849 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.620 9.851 -8.767 1.00 1.09 N ATOM 0 H HIS A 98 1.036 8.490 -6.199 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.839 8.976 -5.647 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.503 9.558 -8.006 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -1.100 7.937 -8.296 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -3.493 8.135 -9.546 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -4.970 11.568 -7.539 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.487 9.804 -9.302 1.00 1.09 H new ATOM 1522 N HIS A 99 -2.026 6.551 -5.156 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.172 5.131 -4.866 1.00 0.22 C ATOM 1524 C HIS A 99 -3.514 4.611 -5.373 1.00 0.21 C ATOM 1525 O HIS A 99 -4.566 5.080 -4.943 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.050 4.900 -3.353 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.784 3.477 -2.961 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -2.171 2.997 -1.735 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -1.157 2.490 -3.647 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -1.774 1.736 -1.700 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.151 1.383 -2.835 1.00 0.49 N ATOM 0 H HIS A 99 -2.670 7.155 -4.646 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.381 4.584 -5.379 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.246 5.527 -2.966 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.971 5.230 -2.872 1.00 0.26 H new ATOM 0 HD1 HIS A 99 -2.663 3.508 -1.002 1.00 0.67 H new ATOM 0 HD2 HIS A 99 -0.742 2.561 -4.641 1.00 0.52 H new ATOM 0 HE1 HIS A 99 -1.932 1.073 -0.862 1.00 0.64 H new ATOM 1539 N THR A 100 -3.469 3.672 -6.305 1.00 0.22 N ATOM 1540 CA THR A 100 -4.683 3.079 -6.849 1.00 0.22 C ATOM 1541 C THR A 100 -4.605 1.562 -6.747 1.00 0.23 C ATOM 1542 O THR A 100 -3.610 0.967 -7.158 1.00 0.31 O ATOM 1543 CB THR A 100 -4.903 3.472 -8.327 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.778 3.070 -9.119 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.106 4.970 -8.474 1.00 0.24 C ATOM 0 H THR A 100 -2.605 3.303 -6.702 1.00 0.22 H new ATOM 0 HA THR A 100 -5.522 3.458 -6.266 1.00 0.22 H new ATOM 0 HB THR A 100 -5.801 2.961 -8.675 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.462 2.193 -8.817 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.258 5.215 -9.525 1.00 0.24 H new ATOM 0 HG22 THR A 100 -5.980 5.277 -7.900 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.226 5.495 -8.103 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.635 0.942 -6.194 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.658 -0.505 -6.050 1.00 0.23 C ATOM 1555 C ALA A 101 -6.849 -1.108 -6.784 1.00 0.22 C ATOM 1556 O ALA A 101 -7.961 -0.577 -6.716 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.697 -0.881 -4.579 1.00 0.26 C ATOM 0 H ALA A 101 -6.465 1.417 -5.838 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.749 -0.909 -6.495 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.714 -1.966 -4.481 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.813 -0.485 -4.079 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.592 -0.461 -4.120 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.616 -2.217 -7.481 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.670 -2.884 -8.230 1.00 0.23 C ATOM 1565 C GLU A 102 -7.376 -4.371 -8.384 1.00 0.24 C ATOM 1566 O GLU A 102 -6.296 -4.841 -8.029 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.828 -2.251 -9.613 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.608 -2.418 -10.504 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.670 -1.542 -11.739 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -7.523 -1.805 -12.616 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -5.876 -0.586 -11.839 1.00 1.38 O ATOM 0 H GLU A 102 -5.705 -2.671 -7.541 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.598 -2.766 -7.671 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.692 -2.693 -10.109 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -8.038 -1.188 -9.495 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.710 -2.176 -9.935 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.522 -3.462 -10.806 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.334 -5.090 -8.942 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.200 -6.520 -9.155 1.00 0.29 C ATOM 1580 C ILE A 103 -8.112 -6.794 -10.643 1.00 0.31 C ATOM 1581 O ILE A 103 -9.083 -6.615 -11.378 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.391 -7.302 -8.567 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.622 -6.928 -7.099 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.159 -8.793 -8.705 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.549 -7.432 -6.153 1.00 0.37 C ATOM 0 H ILE A 103 -9.222 -4.701 -9.259 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.295 -6.853 -8.646 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.286 -7.033 -9.128 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.682 -5.843 -7.017 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.586 -7.325 -6.782 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.008 -9.334 -8.286 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.051 -9.048 -9.759 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.251 -9.071 -8.169 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.788 -7.125 -5.135 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.502 -8.520 -6.202 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.584 -7.014 -6.441 1.00 0.37 H new ATOM 1597 N SER A 104 -6.951 -7.220 -11.083 1.00 0.34 N ATOM 1598 CA SER A 104 -6.730 -7.504 -12.486 1.00 0.38 C ATOM 1599 C SER A 104 -6.227 -8.931 -12.665 1.00 0.48 C ATOM 1600 O SER A 104 -5.151 -9.284 -12.188 1.00 0.88 O ATOM 1601 CB SER A 104 -5.739 -6.486 -13.048 1.00 0.55 C ATOM 1602 OG SER A 104 -6.202 -5.162 -12.825 1.00 1.37 O ATOM 0 H SER A 104 -6.139 -7.379 -10.487 1.00 0.34 H new ATOM 0 HA SER A 104 -7.668 -7.420 -13.035 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.765 -6.621 -12.577 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.603 -6.654 -14.116 1.00 0.55 H new ATOM 0 HG SER A 104 -5.554 -4.523 -13.190 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.030 -9.756 -13.334 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.669 -11.145 -13.550 1.00 0.64 C ATOM 1610 C GLY A 105 -6.757 -11.946 -12.272 1.00 0.63 C ATOM 1611 O GLY A 105 -6.081 -12.961 -12.106 1.00 0.96 O ATOM 0 H GLY A 105 -7.929 -9.484 -13.732 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.329 -11.581 -14.300 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.655 -11.201 -13.946 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.600 -11.481 -11.358 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.757 -12.159 -10.091 1.00 0.50 C ATOM 1617 C GLY A 106 -6.604 -11.871 -9.155 1.00 0.44 C ATOM 1618 O GLY A 106 -6.338 -12.637 -8.233 1.00 0.48 O ATOM 0 H GLY A 106 -8.176 -10.647 -11.474 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.691 -11.846 -9.624 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.829 -13.233 -10.260 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.919 -10.762 -9.399 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.777 -10.364 -8.594 1.00 0.35 C ATOM 1624 C LYS A 107 -4.896 -8.901 -8.192 1.00 0.32 C ATOM 1625 O LYS A 107 -5.352 -8.073 -8.981 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.487 -10.569 -9.393 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.917 -11.975 -9.306 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.844 -12.199 -10.363 1.00 0.66 C ATOM 1629 CE LYS A 107 -0.963 -13.401 -10.053 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.594 -14.688 -10.456 1.00 1.22 N ATOM 0 H LYS A 107 -6.140 -10.117 -10.158 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.753 -10.978 -7.694 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.679 -10.331 -10.439 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.737 -9.862 -9.038 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.495 -12.139 -8.315 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.717 -12.704 -9.436 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.319 -12.341 -11.334 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.222 -11.307 -10.440 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.009 -13.291 -10.568 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.748 -13.424 -8.985 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.955 -15.475 -10.224 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.492 -14.809 -9.946 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -1.776 -14.680 -11.480 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.501 -8.597 -6.968 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.537 -7.235 -6.466 1.00 0.28 C ATOM 1646 C LEU A 108 -3.286 -6.509 -6.924 1.00 0.27 C ATOM 1647 O LEU A 108 -2.175 -6.861 -6.532 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.621 -7.245 -4.930 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.820 -5.892 -4.224 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.502 -5.151 -4.052 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.816 -5.023 -4.970 1.00 0.76 C ATOM 0 H LEU A 108 -4.149 -9.282 -6.299 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.416 -6.720 -6.854 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.443 -7.900 -4.642 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.706 -7.695 -4.545 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.221 -6.105 -3.233 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.682 -4.200 -3.550 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.821 -5.755 -3.453 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -3.058 -4.966 -5.030 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.935 -4.074 -4.446 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.451 -4.837 -5.980 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.778 -5.533 -5.020 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.464 -5.521 -7.770 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.344 -4.752 -8.262 1.00 0.29 C ATOM 1665 C VAL A 109 -2.510 -3.292 -7.876 1.00 0.29 C ATOM 1666 O VAL A 109 -3.438 -2.611 -8.312 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.153 -4.910 -9.790 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.463 -4.717 -10.538 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.091 -3.949 -10.308 1.00 0.32 C ATOM 0 H VAL A 109 -4.373 -5.231 -8.132 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.439 -5.141 -7.795 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.812 -5.929 -9.974 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.292 -4.835 -11.608 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.187 -5.460 -10.202 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.851 -3.718 -10.341 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.976 -4.080 -11.384 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.395 -2.923 -10.098 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.142 -4.155 -9.814 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.633 -2.840 -7.003 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.659 -1.469 -6.546 1.00 0.30 C ATOM 1681 C GLU A 110 -0.606 -0.664 -7.283 1.00 0.28 C ATOM 1682 O GLU A 110 0.505 -1.142 -7.525 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.434 -1.391 -5.038 1.00 0.34 C ATOM 1684 CG GLU A 110 -0.340 -2.318 -4.545 1.00 0.71 C ATOM 1685 CD GLU A 110 0.119 -1.984 -3.144 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -0.533 -2.425 -2.176 1.00 1.45 O ATOM 1687 OE2 GLU A 110 1.155 -1.307 -3.008 1.00 1.69 O ATOM 0 H GLU A 110 -0.890 -3.407 -6.595 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.642 -1.050 -6.758 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -1.181 -0.366 -4.768 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -2.365 -1.635 -4.526 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -0.702 -3.346 -4.569 1.00 0.71 H new ATOM 0 HG3 GLU A 110 0.511 -2.263 -5.224 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.970 0.543 -7.658 1.00 0.26 N ATOM 1695 CA ILE A 111 -0.077 1.425 -8.379 1.00 0.24 C ATOM 1696 C ILE A 111 0.192 2.684 -7.564 1.00 0.25 C ATOM 1697 O ILE A 111 -0.742 3.353 -7.125 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.658 1.802 -9.765 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.974 0.543 -10.579 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.306 2.685 -10.535 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.412 0.079 -10.474 1.00 0.37 C ATOM 0 H ILE A 111 -1.891 0.940 -7.472 1.00 0.26 H new ATOM 0 HA ILE A 111 0.862 0.895 -8.538 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.582 2.357 -9.599 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.741 0.734 -11.627 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.319 -0.263 -10.249 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.125 2.936 -11.504 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.490 3.600 -9.972 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.247 2.154 -10.683 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.550 -0.817 -11.080 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.647 -0.147 -9.434 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -3.075 0.866 -10.833 1.00 0.37 H new ATOM 1713 N SER A 112 1.467 2.980 -7.357 1.00 0.23 N ATOM 1714 CA SER A 112 1.885 4.148 -6.600 1.00 0.24 C ATOM 1715 C SER A 112 2.764 5.041 -7.463 1.00 0.22 C ATOM 1716 O SER A 112 3.882 4.664 -7.818 1.00 0.25 O ATOM 1717 CB SER A 112 2.654 3.723 -5.345 1.00 0.28 C ATOM 1718 OG SER A 112 1.829 3.003 -4.448 1.00 0.37 O ATOM 0 H SER A 112 2.240 2.416 -7.710 1.00 0.23 H new ATOM 0 HA SER A 112 0.996 4.702 -6.298 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.506 3.107 -5.631 1.00 0.28 H new ATOM 0 HB3 SER A 112 3.052 4.606 -4.845 1.00 0.28 H new ATOM 0 HG SER A 112 2.002 3.303 -3.531 1.00 0.37 H new ATOM 1724 N THR A 113 2.253 6.203 -7.819 1.00 0.22 N ATOM 1725 CA THR A 113 2.998 7.139 -8.640 1.00 0.22 C ATOM 1726 C THR A 113 3.635 8.231 -7.794 1.00 0.23 C ATOM 1727 O THR A 113 2.977 8.835 -6.946 1.00 0.26 O ATOM 1728 CB THR A 113 2.087 7.800 -9.684 1.00 0.25 C ATOM 1729 OG1 THR A 113 0.909 7.001 -9.883 1.00 0.27 O ATOM 1730 CG2 THR A 113 2.823 7.976 -11.007 1.00 0.27 C ATOM 0 H THR A 113 1.322 6.523 -7.552 1.00 0.22 H new ATOM 0 HA THR A 113 3.779 6.568 -9.142 1.00 0.22 H new ATOM 0 HB THR A 113 1.797 8.784 -9.315 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.332 7.430 -10.549 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.159 8.446 -11.733 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.699 8.606 -10.855 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.138 7.002 -11.381 1.00 0.27 H new ATOM 1738 N SER A 114 4.920 8.462 -8.016 1.00 0.25 N ATOM 1739 CA SER A 114 5.652 9.500 -7.307 1.00 0.30 C ATOM 1740 C SER A 114 6.701 10.118 -8.223 1.00 0.29 C ATOM 1741 O SER A 114 7.670 9.458 -8.604 1.00 0.30 O ATOM 1742 CB SER A 114 6.308 8.935 -6.049 1.00 0.38 C ATOM 1743 OG SER A 114 5.327 8.476 -5.132 1.00 1.43 O ATOM 0 H SER A 114 5.482 7.939 -8.688 1.00 0.25 H new ATOM 0 HA SER A 114 4.949 10.276 -7.004 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.973 8.115 -6.318 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.922 9.702 -5.578 1.00 0.38 H new ATOM 0 HG SER A 114 5.768 8.117 -4.334 1.00 1.43 H new ATOM 1749 N SER A 115 6.481 11.379 -8.589 1.00 0.37 N ATOM 1750 CA SER A 115 7.380 12.112 -9.477 1.00 0.47 C ATOM 1751 C SER A 115 7.497 11.414 -10.831 1.00 0.47 C ATOM 1752 O SER A 115 8.532 11.490 -11.495 1.00 0.57 O ATOM 1753 CB SER A 115 8.766 12.270 -8.842 1.00 0.54 C ATOM 1754 OG SER A 115 8.692 12.982 -7.615 1.00 0.63 O ATOM 0 H SER A 115 5.675 11.921 -8.278 1.00 0.37 H new ATOM 0 HA SER A 115 6.956 13.104 -9.635 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.204 11.287 -8.669 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.427 12.796 -9.531 1.00 0.54 H new ATOM 0 HG SER A 115 9.059 12.429 -6.893 1.00 0.63 H new ATOM 1760 N GLY A 116 6.429 10.740 -11.239 1.00 0.42 N ATOM 1761 CA GLY A 116 6.435 10.043 -12.506 1.00 0.46 C ATOM 1762 C GLY A 116 6.795 8.576 -12.363 1.00 0.40 C ATOM 1763 O GLY A 116 6.556 7.783 -13.273 1.00 0.46 O ATOM 0 H GLY A 116 5.559 10.665 -10.713 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.452 10.129 -12.968 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.146 10.524 -13.178 1.00 0.46 H new ATOM 1767 N VAL A 117 7.374 8.212 -11.226 1.00 0.33 N ATOM 1768 CA VAL A 117 7.763 6.831 -10.984 1.00 0.29 C ATOM 1769 C VAL A 117 6.546 5.997 -10.614 1.00 0.28 C ATOM 1770 O VAL A 117 5.921 6.216 -9.573 1.00 0.29 O ATOM 1771 CB VAL A 117 8.812 6.720 -9.863 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.201 5.273 -9.626 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.038 7.546 -10.201 1.00 0.53 C ATOM 0 H VAL A 117 7.584 8.852 -10.460 1.00 0.33 H new ATOM 0 HA VAL A 117 8.205 6.454 -11.906 1.00 0.29 H new ATOM 0 HB VAL A 117 8.370 7.109 -8.946 1.00 0.30 H new ATOM 0 HG11 VAL A 117 9.943 5.222 -8.829 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.319 4.702 -9.337 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.621 4.855 -10.541 1.00 0.52 H new ATOM 0 HG21 VAL A 117 10.770 7.456 -9.398 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.475 7.185 -11.132 1.00 0.53 H new ATOM 0 HG23 VAL A 117 9.752 8.591 -10.316 1.00 0.53 H new ATOM 1783 N VAL A 118 6.198 5.069 -11.487 1.00 0.27 N ATOM 1784 CA VAL A 118 5.062 4.199 -11.269 1.00 0.27 C ATOM 1785 C VAL A 118 5.481 2.897 -10.602 1.00 0.25 C ATOM 1786 O VAL A 118 6.061 2.013 -11.233 1.00 0.29 O ATOM 1787 CB VAL A 118 4.341 3.879 -12.585 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.130 3.005 -12.323 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.939 5.163 -13.288 1.00 0.86 C ATOM 0 H VAL A 118 6.694 4.899 -12.362 1.00 0.27 H new ATOM 0 HA VAL A 118 4.379 4.735 -10.610 1.00 0.27 H new ATOM 0 HB VAL A 118 5.022 3.331 -13.236 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.628 2.786 -13.266 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.448 2.073 -11.856 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.442 3.527 -11.658 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.428 4.923 -14.220 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.270 5.736 -12.645 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.829 5.754 -13.504 1.00 0.86 H new ATOM 1799 N TYR A 119 5.192 2.802 -9.320 1.00 0.22 N ATOM 1800 CA TYR A 119 5.501 1.615 -8.534 1.00 0.21 C ATOM 1801 C TYR A 119 4.278 0.710 -8.499 1.00 0.22 C ATOM 1802 O TYR A 119 3.196 1.143 -8.119 1.00 0.29 O ATOM 1803 CB TYR A 119 5.913 2.014 -7.114 1.00 0.22 C ATOM 1804 CG TYR A 119 6.187 0.852 -6.183 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.197 -0.062 -6.454 1.00 1.21 C ATOM 1806 CD2 TYR A 119 5.444 0.679 -5.021 1.00 1.17 C ATOM 1807 CE1 TYR A 119 7.455 -1.117 -5.600 1.00 1.22 C ATOM 1808 CE2 TYR A 119 5.701 -0.372 -4.160 1.00 1.20 C ATOM 1809 CZ TYR A 119 6.707 -1.266 -4.455 1.00 0.34 C ATOM 1810 OH TYR A 119 6.961 -2.318 -3.600 1.00 0.43 O ATOM 0 H TYR A 119 4.736 3.544 -8.789 1.00 0.22 H new ATOM 0 HA TYR A 119 6.333 1.080 -8.992 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.807 2.635 -7.171 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.125 2.630 -6.681 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.791 0.054 -7.348 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.653 1.377 -4.787 1.00 1.17 H new ATOM 0 HE1 TYR A 119 8.240 -1.822 -5.830 1.00 1.22 H new ATOM 0 HE2 TYR A 119 5.116 -0.492 -3.260 1.00 1.20 H new ATOM 0 HH TYR A 119 7.050 -1.981 -2.684 1.00 0.43 H new ATOM 1820 N LYS A 120 4.440 -0.531 -8.909 1.00 0.21 N ATOM 1821 CA LYS A 120 3.328 -1.456 -8.939 1.00 0.23 C ATOM 1822 C LYS A 120 3.620 -2.723 -8.155 1.00 0.24 C ATOM 1823 O LYS A 120 4.737 -3.234 -8.182 1.00 0.29 O ATOM 1824 CB LYS A 120 3.004 -1.807 -10.385 1.00 0.28 C ATOM 1825 CG LYS A 120 2.491 -0.625 -11.184 1.00 0.31 C ATOM 1826 CD LYS A 120 2.747 -0.793 -12.671 1.00 0.46 C ATOM 1827 CE LYS A 120 1.897 -1.900 -13.266 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.456 -2.387 -14.553 1.00 1.17 N ATOM 0 H LYS A 120 5.328 -0.921 -9.225 1.00 0.21 H new ATOM 0 HA LYS A 120 2.474 -0.970 -8.468 1.00 0.23 H new ATOM 0 HB2 LYS A 120 3.899 -2.202 -10.866 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.257 -2.601 -10.401 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.421 -0.507 -11.011 1.00 0.31 H new ATOM 0 HG3 LYS A 120 2.974 0.287 -10.833 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.535 0.145 -13.185 1.00 0.46 H new ATOM 0 HD3 LYS A 120 3.801 -1.015 -12.836 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.831 -2.728 -12.561 1.00 0.87 H new ATOM 0 HE3 LYS A 120 0.882 -1.535 -13.424 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.116 -3.353 -14.736 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 2.149 -1.760 -15.324 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.495 -2.390 -14.501 1.00 1.17 H new ATOM 1842 N ARG A 121 2.619 -3.216 -7.445 1.00 0.25 N ATOM 1843 CA ARG A 121 2.759 -4.441 -6.667 1.00 0.28 C ATOM 1844 C ARG A 121 1.631 -5.400 -6.992 1.00 0.28 C ATOM 1845 O ARG A 121 0.461 -5.031 -6.954 1.00 0.34 O ATOM 1846 CB ARG A 121 2.738 -4.178 -5.156 1.00 0.36 C ATOM 1847 CG ARG A 121 3.894 -3.347 -4.630 1.00 0.59 C ATOM 1848 CD ARG A 121 4.036 -3.494 -3.120 1.00 0.84 C ATOM 1849 NE ARG A 121 2.745 -3.435 -2.438 1.00 1.20 N ATOM 1850 CZ ARG A 121 2.255 -4.396 -1.652 1.00 1.59 C ATOM 1851 NH1 ARG A 121 2.987 -5.472 -1.374 1.00 1.88 N ATOM 1852 NH2 ARG A 121 1.032 -4.275 -1.141 1.00 2.48 N ATOM 0 H ARG A 121 1.696 -2.786 -7.390 1.00 0.25 H new ATOM 0 HA ARG A 121 3.725 -4.870 -6.935 1.00 0.28 H new ATOM 0 HB2 ARG A 121 1.805 -3.674 -4.904 1.00 0.36 H new ATOM 0 HB3 ARG A 121 2.734 -5.136 -4.636 1.00 0.36 H new ATOM 0 HG2 ARG A 121 4.819 -3.657 -5.117 1.00 0.59 H new ATOM 0 HG3 ARG A 121 3.736 -2.299 -4.883 1.00 0.59 H new ATOM 0 HD2 ARG A 121 4.522 -4.443 -2.893 1.00 0.84 H new ATOM 0 HD3 ARG A 121 4.683 -2.704 -2.739 1.00 0.84 H new ATOM 0 HE ARG A 121 2.177 -2.599 -2.572 1.00 1.20 H new ATOM 0 HH11 ARG A 121 3.926 -5.564 -1.762 1.00 1.88 H new ATOM 0 HH12 ARG A 121 2.609 -6.204 -0.773 1.00 1.88 H new ATOM 0 HH21 ARG A 121 0.471 -3.449 -1.350 1.00 2.48 H new ATOM 0 HH22 ARG A 121 0.656 -5.008 -0.540 1.00 2.48 H new ATOM 1866 N THR A 122 1.992 -6.621 -7.314 1.00 0.27 N ATOM 1867 CA THR A 122 1.028 -7.651 -7.612 1.00 0.27 C ATOM 1868 C THR A 122 0.910 -8.573 -6.410 1.00 0.25 C ATOM 1869 O THR A 122 1.895 -9.184 -5.996 1.00 0.29 O ATOM 1870 CB THR A 122 1.457 -8.461 -8.841 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.884 -7.569 -9.880 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.321 -9.335 -9.341 1.00 0.34 C ATOM 0 H THR A 122 2.963 -6.927 -7.376 1.00 0.27 H new ATOM 0 HA THR A 122 0.066 -7.186 -7.829 1.00 0.27 H new ATOM 0 HB THR A 122 2.284 -9.111 -8.556 1.00 0.31 H new ATOM 0 HG1 THR A 122 2.159 -8.088 -10.664 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.652 -9.899 -10.213 1.00 0.34 H new ATOM 0 HG22 THR A 122 0.021 -10.027 -8.554 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.527 -8.708 -9.615 1.00 0.34 H new ATOM 1880 N SER A 123 -0.274 -8.640 -5.828 1.00 0.24 N ATOM 1881 CA SER A 123 -0.498 -9.482 -4.671 1.00 0.23 C ATOM 1882 C SER A 123 -1.654 -10.437 -4.938 1.00 0.23 C ATOM 1883 O SER A 123 -2.682 -10.046 -5.493 1.00 0.25 O ATOM 1884 CB SER A 123 -0.777 -8.617 -3.439 1.00 0.25 C ATOM 1885 OG SER A 123 0.113 -7.511 -3.385 1.00 0.38 O ATOM 0 H SER A 123 -1.095 -8.120 -6.139 1.00 0.24 H new ATOM 0 HA SER A 123 0.397 -10.073 -4.478 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.806 -8.260 -3.466 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.672 -9.218 -2.536 1.00 0.25 H new ATOM 0 HG SER A 123 -0.084 -6.971 -2.591 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.470 -11.690 -4.573 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.499 -12.693 -4.782 1.00 0.25 C ATOM 1893 C LYS A 124 -3.479 -12.713 -3.620 1.00 0.22 C ATOM 1894 O LYS A 124 -3.145 -12.308 -2.504 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.867 -14.070 -4.964 1.00 0.29 C ATOM 1896 CG LYS A 124 -1.018 -14.513 -3.787 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.118 -15.675 -4.160 1.00 0.43 C ATOM 1898 CE LYS A 124 1.150 -15.689 -3.326 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.239 -16.444 -3.995 1.00 1.45 N ATOM 0 H LYS A 124 -0.620 -12.039 -4.131 1.00 0.23 H new ATOM 0 HA LYS A 124 -3.048 -12.435 -5.688 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.657 -14.803 -5.127 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -1.250 -14.061 -5.862 1.00 0.29 H new ATOM 0 HG2 LYS A 124 -0.411 -13.677 -3.440 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.665 -14.803 -2.959 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.656 -16.612 -4.021 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.141 -15.611 -5.217 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.476 -14.665 -3.143 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.941 -16.136 -2.354 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 2.925 -16.768 -3.283 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 1.838 -17.266 -4.490 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.718 -15.827 -4.681 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.687 -13.180 -3.891 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.726 -13.260 -2.875 1.00 0.23 C ATOM 1915 C LYS A 125 -5.720 -14.641 -2.233 1.00 0.25 C ATOM 1916 O LYS A 125 -5.897 -15.652 -2.912 1.00 0.31 O ATOM 1917 CB LYS A 125 -7.110 -12.977 -3.484 1.00 0.27 C ATOM 1918 CG LYS A 125 -8.148 -12.455 -2.485 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.306 -13.373 -1.276 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.759 -13.650 -0.940 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.484 -14.325 -2.051 1.00 1.45 N ATOM 0 H LYS A 125 -4.974 -13.512 -4.812 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.521 -12.506 -2.115 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.998 -12.248 -4.287 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.488 -13.894 -3.936 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.855 -11.461 -2.147 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -9.110 -12.350 -2.986 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.796 -14.316 -1.472 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -7.818 -12.919 -0.414 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.809 -14.273 -0.047 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.259 -12.711 -0.702 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.289 -14.860 -1.666 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.832 -13.611 -2.723 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -9.838 -14.976 -2.542 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.528 -14.677 -0.929 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.519 -15.929 -0.191 1.00 0.28 C ATOM 1937 C ILE A 126 -6.315 -15.773 1.096 1.00 0.30 C ATOM 1938 O ILE A 126 -6.695 -14.658 1.465 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.091 -16.428 0.144 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -3.020 -15.683 -0.663 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.988 -17.927 -0.110 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.521 -14.424 0.012 1.00 0.27 C ATOM 0 H ILE A 126 -5.375 -13.849 -0.354 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.977 -16.678 -0.838 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.910 -16.224 1.199 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.177 -16.351 -0.836 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.427 -15.424 -1.640 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.981 -18.268 0.128 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.707 -18.453 0.518 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.202 -18.134 -1.158 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.766 -13.950 -0.615 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.354 -13.736 0.161 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.083 -14.678 0.977 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.621 -16.891 1.735 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.361 -16.891 2.983 1.00 0.44 C ATOM 1956 C ALA A 127 -7.050 -18.165 3.759 1.00 0.67 C ATOM 1957 O ALA A 127 -7.727 -18.438 4.771 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.855 -16.754 2.717 1.00 0.46 C ATOM 0 H ALA A 127 -6.363 -17.820 1.403 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.056 -16.036 3.585 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.395 -16.756 3.664 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.047 -15.818 2.192 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.194 -17.590 2.105 1.00 0.46 H new