USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000642) USER MOD Single : A 4 GLN : amide:sc= -3.45 K(o=-3.4,f=-2.5) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0088 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 57:sc= 0.248 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -1.16 (180deg=-3.31!) USER MOD Single : A 43 HIS : no HD1:sc= -0.912 K(o=-0.91,f=-0.18) USER MOD Single : A 44 SER OG : rot 107:sc= 0.779 USER MOD Single : A 46 SER OG : rot 100:sc= 1.02 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.58! X(o=-2.6!,f=-2.3) USER MOD Single : A 63 GLN : amide:sc= -0.256 K(o=-0.26,f=-6!) USER MOD Single : A 67 SER OG : rot 75:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 175:sc= -1.01 USER MOD Single : A 76 THR OG1 : rot -66:sc= -1.48! USER MOD Single : A 78 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.9!) USER MOD Single : A 81 LYS NZ :NH3+ -134:sc= 0.208 (180deg=-0.436) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -141:sc= -2.85! (180deg=-5.74!) USER MOD Single : A 90 SER OG : rot 99:sc= 1.14 USER MOD Single : A 93 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.9!) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.551 (180deg=-1.45!) USER MOD Single : A 96 LYS NZ :NH3+ 121:sc= -0.0991 (180deg=-0.568) USER MOD Single : A 100 THR OG1 : rot 176:sc= -0.395 USER MOD Single : A 102 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.23) USER MOD Single : B 5 TYR OH : rot 0:sc= -2.29! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.000 -2.054 8.832 1.00 0.24 N ATOM 21 CA VAL A 2 -2.650 -1.849 8.228 1.00 0.19 C ATOM 22 C VAL A 2 -1.803 -3.108 8.453 1.00 0.22 C ATOM 23 O VAL A 2 -2.088 -3.911 9.320 1.00 0.28 O ATOM 24 CB VAL A 2 -1.973 -0.645 8.893 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.540 -0.503 8.368 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.760 0.631 8.570 1.00 0.30 C ATOM 0 HA VAL A 2 -2.747 -1.662 7.159 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.951 -0.797 9.972 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.062 0.354 8.843 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.023 -1.407 8.599 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.561 -0.355 7.288 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.277 1.486 9.044 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.784 0.780 7.491 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.779 0.535 8.946 1.00 0.30 H new ATOM 36 N LYS A 3 -0.764 -3.292 7.679 1.00 0.18 N ATOM 37 CA LYS A 3 0.098 -4.501 7.849 1.00 0.22 C ATOM 38 C LYS A 3 1.503 -4.203 7.319 1.00 0.16 C ATOM 39 O LYS A 3 1.670 -3.714 6.219 1.00 0.13 O ATOM 40 CB LYS A 3 -0.497 -5.682 7.069 1.00 0.26 C ATOM 41 CG LYS A 3 0.178 -6.983 7.512 1.00 0.34 C ATOM 42 CD LYS A 3 -0.411 -8.157 6.724 1.00 0.81 C ATOM 43 CE LYS A 3 0.341 -9.448 7.067 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.112 -9.951 8.395 1.00 1.97 N ATOM 0 H LYS A 3 -0.475 -2.656 6.936 1.00 0.18 H new ATOM 0 HA LYS A 3 0.149 -4.757 8.907 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.572 -5.741 7.242 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.354 -5.533 5.999 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.254 -6.922 7.346 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.029 -7.137 8.581 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.469 -8.269 6.959 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.342 -7.959 5.654 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.160 -10.201 6.300 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.415 -9.262 7.084 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.386 -10.836 8.619 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.098 -9.241 9.125 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.137 -10.128 8.368 1.00 1.97 H new ATOM 58 N GLN A 4 2.516 -4.494 8.091 1.00 0.18 N ATOM 59 CA GLN A 4 3.910 -4.229 7.629 1.00 0.15 C ATOM 60 C GLN A 4 4.419 -5.443 6.846 1.00 0.13 C ATOM 61 O GLN A 4 4.279 -6.574 7.268 1.00 0.14 O ATOM 62 CB GLN A 4 4.808 -3.974 8.848 1.00 0.20 C ATOM 63 CG GLN A 4 6.289 -4.067 8.446 1.00 0.21 C ATOM 64 CD GLN A 4 7.158 -3.375 9.499 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.910 -3.493 10.683 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.173 -2.648 9.116 1.00 0.98 N ATOM 0 H GLN A 4 2.439 -4.904 9.022 1.00 0.18 H new ATOM 0 HA GLN A 4 3.928 -3.352 6.983 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.598 -2.989 9.264 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.589 -4.703 9.629 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.584 -5.112 8.348 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.441 -3.601 7.473 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.383 -2.548 8.123 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.756 -2.180 9.810 1.00 0.98 H new ATOM 75 N ILE A 5 4.998 -5.205 5.698 1.00 0.10 N ATOM 76 CA ILE A 5 5.522 -6.315 4.844 1.00 0.10 C ATOM 77 C ILE A 5 7.054 -6.239 4.808 1.00 0.10 C ATOM 78 O ILE A 5 7.627 -5.627 3.927 1.00 0.11 O ATOM 79 CB ILE A 5 4.992 -6.129 3.422 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.462 -5.928 3.421 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.382 -7.327 2.549 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.734 -7.015 4.227 1.00 0.19 C ATOM 0 H ILE A 5 5.133 -4.272 5.309 1.00 0.10 H new ATOM 0 HA ILE A 5 5.205 -7.277 5.247 1.00 0.10 H new ATOM 0 HB ILE A 5 5.446 -5.231 3.004 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.225 -4.949 3.838 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.097 -5.934 2.394 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.998 -7.182 1.539 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.468 -7.415 2.515 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.957 -8.238 2.971 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.660 -6.832 4.198 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.947 -7.993 3.795 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.078 -6.993 5.261 1.00 0.19 H new ATOM 94 N GLU A 6 7.725 -6.845 5.753 1.00 0.11 N ATOM 95 CA GLU A 6 9.221 -6.792 5.768 1.00 0.14 C ATOM 96 C GLU A 6 9.792 -8.060 5.125 1.00 0.14 C ATOM 97 O GLU A 6 10.989 -8.275 5.124 1.00 0.17 O ATOM 98 CB GLU A 6 9.707 -6.705 7.220 1.00 0.18 C ATOM 99 CG GLU A 6 9.544 -5.267 7.741 1.00 0.31 C ATOM 100 CD GLU A 6 9.507 -5.259 9.273 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.986 -6.204 9.843 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.997 -4.303 9.851 1.00 1.97 O ATOM 0 H GLU A 6 7.303 -7.375 6.516 1.00 0.11 H new ATOM 0 HA GLU A 6 9.556 -5.919 5.208 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.139 -7.394 7.845 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.752 -7.007 7.282 1.00 0.18 H new ATOM 0 HG2 GLU A 6 10.369 -4.649 7.387 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.626 -4.831 7.346 1.00 0.31 H new ATOM 109 N SER A 7 8.957 -8.905 4.584 1.00 0.13 N ATOM 110 CA SER A 7 9.476 -10.155 3.953 1.00 0.15 C ATOM 111 C SER A 7 8.537 -10.604 2.832 1.00 0.14 C ATOM 112 O SER A 7 7.336 -10.438 2.906 1.00 0.12 O ATOM 113 CB SER A 7 9.569 -11.249 5.013 1.00 0.20 C ATOM 114 OG SER A 7 8.261 -11.638 5.408 1.00 0.23 O ATOM 0 H SER A 7 7.944 -8.787 4.551 1.00 0.13 H new ATOM 0 HA SER A 7 10.463 -9.965 3.532 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.112 -12.108 4.618 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.129 -10.888 5.876 1.00 0.20 H new ATOM 0 HG SER A 7 8.320 -12.342 6.087 1.00 0.23 H new ATOM 120 N LYS A 8 9.084 -11.168 1.790 1.00 0.15 N ATOM 121 CA LYS A 8 8.237 -11.627 0.654 1.00 0.14 C ATOM 122 C LYS A 8 7.121 -12.542 1.170 1.00 0.14 C ATOM 123 O LYS A 8 6.005 -12.505 0.692 1.00 0.13 O ATOM 124 CB LYS A 8 9.105 -12.398 -0.350 1.00 0.17 C ATOM 125 CG LYS A 8 8.348 -12.556 -1.676 1.00 0.21 C ATOM 126 CD LYS A 8 9.015 -13.640 -2.526 1.00 0.22 C ATOM 127 CE LYS A 8 8.379 -13.661 -3.918 1.00 1.06 C ATOM 128 NZ LYS A 8 9.006 -14.738 -4.735 1.00 1.90 N ATOM 0 H LYS A 8 10.085 -11.331 1.677 1.00 0.15 H new ATOM 0 HA LYS A 8 7.792 -10.760 0.166 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.043 -11.868 -0.517 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.360 -13.378 0.053 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.308 -12.820 -1.483 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.341 -11.610 -2.217 1.00 0.21 H new ATOM 0 HD2 LYS A 8 10.085 -13.447 -2.606 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.902 -14.613 -2.048 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.305 -13.830 -3.836 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.513 -12.695 -4.405 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.574 -14.752 -5.681 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 10.026 -14.557 -4.823 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.856 -15.657 -4.272 1.00 1.90 H new ATOM 142 N THR A 9 7.412 -13.373 2.132 1.00 0.16 N ATOM 143 CA THR A 9 6.363 -14.294 2.658 1.00 0.18 C ATOM 144 C THR A 9 5.185 -13.479 3.200 1.00 0.16 C ATOM 145 O THR A 9 4.037 -13.841 3.028 1.00 0.17 O ATOM 146 CB THR A 9 6.952 -15.157 3.774 1.00 0.21 C ATOM 147 OG1 THR A 9 8.227 -15.639 3.373 1.00 0.24 O ATOM 148 CG2 THR A 9 6.024 -16.339 4.062 1.00 0.25 C ATOM 0 H THR A 9 8.327 -13.455 2.576 1.00 0.16 H new ATOM 0 HA THR A 9 6.011 -14.938 1.852 1.00 0.18 H new ATOM 0 HB THR A 9 7.056 -14.557 4.678 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.608 -16.191 4.088 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.449 -16.950 4.858 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.047 -15.968 4.372 1.00 0.25 H new ATOM 0 HG23 THR A 9 5.913 -16.943 3.161 1.00 0.25 H new ATOM 156 N ALA A 10 5.459 -12.385 3.853 1.00 0.16 N ATOM 157 CA ALA A 10 4.355 -11.550 4.406 1.00 0.17 C ATOM 158 C ALA A 10 3.582 -10.895 3.259 1.00 0.15 C ATOM 159 O ALA A 10 2.396 -10.655 3.354 1.00 0.17 O ATOM 160 CB ALA A 10 4.942 -10.464 5.310 1.00 0.20 C ATOM 0 H ALA A 10 6.400 -12.032 4.028 1.00 0.16 H new ATOM 0 HA ALA A 10 3.679 -12.180 4.984 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.136 -9.853 5.715 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.491 -10.929 6.129 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.618 -9.835 4.731 1.00 0.20 H new ATOM 166 N PHE A 11 4.248 -10.601 2.175 1.00 0.12 N ATOM 167 CA PHE A 11 3.551 -9.958 1.025 1.00 0.11 C ATOM 168 C PHE A 11 2.410 -10.856 0.546 1.00 0.13 C ATOM 169 O PHE A 11 1.251 -10.531 0.700 1.00 0.16 O ATOM 170 CB PHE A 11 4.547 -9.733 -0.119 1.00 0.10 C ATOM 171 CG PHE A 11 3.825 -9.171 -1.328 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.317 -7.860 -1.294 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.667 -9.955 -2.488 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.651 -7.335 -2.417 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.001 -9.428 -3.608 1.00 0.18 C ATOM 176 CZ PHE A 11 2.493 -8.119 -3.573 1.00 0.21 C ATOM 0 H PHE A 11 5.243 -10.778 2.036 1.00 0.12 H new ATOM 0 HA PHE A 11 3.143 -8.998 1.342 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.331 -9.046 0.199 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.034 -10.673 -0.379 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.438 -7.257 -0.407 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.058 -10.961 -2.517 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.261 -6.328 -2.391 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.880 -10.030 -4.496 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.981 -7.715 -4.434 1.00 0.21 H new ATOM 186 N GLN A 12 2.725 -11.978 -0.038 1.00 0.15 N ATOM 187 CA GLN A 12 1.653 -12.884 -0.537 1.00 0.19 C ATOM 188 C GLN A 12 0.684 -13.213 0.600 1.00 0.17 C ATOM 189 O GLN A 12 -0.518 -13.198 0.426 1.00 0.16 O ATOM 190 CB GLN A 12 2.282 -14.179 -1.058 1.00 0.24 C ATOM 191 CG GLN A 12 3.097 -13.882 -2.317 1.00 1.21 C ATOM 192 CD GLN A 12 3.578 -15.196 -2.935 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.286 -15.486 -4.079 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.311 -16.008 -2.223 1.00 2.47 N ATOM 0 H GLN A 12 3.678 -12.307 -0.191 1.00 0.15 H new ATOM 0 HA GLN A 12 1.110 -12.390 -1.343 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.922 -14.618 -0.293 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.504 -14.910 -1.280 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.489 -13.331 -3.035 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.950 -13.250 -2.070 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.556 -15.765 -1.263 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.639 -16.886 -2.626 1.00 2.47 H new ATOM 203 N GLU A 13 1.194 -13.513 1.761 1.00 0.19 N ATOM 204 CA GLU A 13 0.300 -13.843 2.902 1.00 0.20 C ATOM 205 C GLU A 13 -0.659 -12.676 3.162 1.00 0.18 C ATOM 206 O GLU A 13 -1.813 -12.873 3.485 1.00 0.19 O ATOM 207 CB GLU A 13 1.151 -14.102 4.147 1.00 0.25 C ATOM 208 CG GLU A 13 1.857 -15.456 4.022 1.00 0.30 C ATOM 209 CD GLU A 13 0.842 -16.586 4.210 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.372 -16.755 5.322 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.552 -17.263 3.237 1.00 2.03 O ATOM 0 H GLU A 13 2.192 -13.544 1.968 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.282 -14.734 2.666 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.888 -13.307 4.267 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.522 -14.090 5.037 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.333 -15.540 3.045 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.647 -15.536 4.769 1.00 0.30 H new ATOM 218 N ALA A 14 -0.195 -11.464 3.020 1.00 0.18 N ATOM 219 CA ALA A 14 -1.090 -10.295 3.256 1.00 0.18 C ATOM 220 C ALA A 14 -2.263 -10.348 2.270 1.00 0.18 C ATOM 221 O ALA A 14 -3.403 -10.131 2.632 1.00 0.19 O ATOM 222 CB ALA A 14 -0.297 -9.005 3.039 1.00 0.20 C ATOM 0 H ALA A 14 0.762 -11.233 2.752 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.473 -10.322 4.276 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.946 -8.146 3.210 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.541 -8.971 3.735 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.080 -8.977 2.017 1.00 0.20 H new ATOM 228 N LEU A 15 -1.988 -10.639 1.026 1.00 0.17 N ATOM 229 CA LEU A 15 -3.076 -10.712 0.004 1.00 0.18 C ATOM 230 C LEU A 15 -4.036 -11.855 0.348 1.00 0.18 C ATOM 231 O LEU A 15 -5.238 -11.715 0.255 1.00 0.18 O ATOM 232 CB LEU A 15 -2.459 -10.957 -1.379 1.00 0.19 C ATOM 233 CG LEU A 15 -1.214 -10.081 -1.558 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.685 -10.239 -2.985 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.572 -8.610 -1.306 1.00 0.62 C ATOM 0 H LEU A 15 -1.051 -10.831 0.671 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.628 -9.772 -0.004 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.193 -12.009 -1.487 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.188 -10.731 -2.157 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.449 -10.391 -0.846 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.201 -9.617 -3.116 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.425 -11.282 -3.163 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.453 -9.930 -3.694 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.683 -7.992 -1.435 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.338 -8.296 -2.015 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.949 -8.496 -0.290 1.00 0.62 H new ATOM 247 N ASP A 16 -3.517 -12.987 0.735 1.00 0.19 N ATOM 248 CA ASP A 16 -4.408 -14.133 1.072 1.00 0.21 C ATOM 249 C ASP A 16 -5.261 -13.780 2.294 1.00 0.20 C ATOM 250 O ASP A 16 -6.444 -14.056 2.337 1.00 0.20 O ATOM 251 CB ASP A 16 -3.560 -15.369 1.379 1.00 0.24 C ATOM 252 CG ASP A 16 -4.456 -16.608 1.422 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.255 -16.769 0.513 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.331 -17.375 2.362 1.00 1.09 O ATOM 0 H ASP A 16 -2.518 -13.168 0.832 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.061 -14.343 0.225 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.789 -15.492 0.618 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.049 -15.244 2.334 1.00 0.24 H new ATOM 259 N ALA A 17 -4.672 -13.178 3.292 1.00 0.22 N ATOM 260 CA ALA A 17 -5.453 -12.813 4.509 1.00 0.24 C ATOM 261 C ALA A 17 -6.253 -11.536 4.244 1.00 0.21 C ATOM 262 O ALA A 17 -7.146 -11.185 4.990 1.00 0.22 O ATOM 263 CB ALA A 17 -4.493 -12.579 5.676 1.00 0.30 C ATOM 0 H ALA A 17 -3.685 -12.923 3.317 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.139 -13.624 4.756 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.061 -12.312 6.567 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.924 -13.489 5.868 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.808 -11.769 5.427 1.00 0.30 H new ATOM 269 N ALA A 18 -5.940 -10.834 3.189 1.00 0.21 N ATOM 270 CA ALA A 18 -6.682 -9.577 2.882 1.00 0.22 C ATOM 271 C ALA A 18 -8.118 -9.912 2.471 1.00 0.21 C ATOM 272 O ALA A 18 -8.933 -9.036 2.265 1.00 0.24 O ATOM 273 CB ALA A 18 -5.983 -8.838 1.738 1.00 0.23 C ATOM 0 H ALA A 18 -5.203 -11.076 2.527 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.699 -8.943 3.769 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.525 -7.919 1.513 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -4.962 -8.594 2.032 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.963 -9.473 0.853 1.00 0.23 H new ATOM 279 N GLY A 19 -8.434 -11.172 2.347 1.00 0.22 N ATOM 280 CA GLY A 19 -9.817 -11.552 1.945 1.00 0.24 C ATOM 281 C GLY A 19 -10.064 -11.117 0.498 1.00 0.20 C ATOM 282 O GLY A 19 -9.243 -11.335 -0.370 1.00 0.28 O ATOM 0 H GLY A 19 -7.796 -11.952 2.506 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.952 -12.629 2.041 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.543 -11.080 2.607 1.00 0.24 H new ATOM 286 N ASP A 20 -11.191 -10.500 0.234 1.00 0.13 N ATOM 287 CA ASP A 20 -11.508 -10.042 -1.157 1.00 0.18 C ATOM 288 C ASP A 20 -11.623 -8.515 -1.178 1.00 0.15 C ATOM 289 O ASP A 20 -11.977 -7.927 -2.181 1.00 0.22 O ATOM 290 CB ASP A 20 -12.838 -10.656 -1.599 1.00 0.26 C ATOM 291 CG ASP A 20 -12.689 -12.176 -1.701 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.741 -12.697 -1.136 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.525 -12.792 -2.342 1.00 2.21 O ATOM 0 H ASP A 20 -11.910 -10.292 0.927 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.714 -10.356 -1.835 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.622 -10.404 -0.885 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.139 -10.244 -2.562 1.00 0.26 H new ATOM 298 N LYS A 21 -11.324 -7.863 -0.086 1.00 0.12 N ATOM 299 CA LYS A 21 -11.415 -6.378 -0.062 1.00 0.19 C ATOM 300 C LYS A 21 -10.299 -5.794 -0.923 1.00 0.15 C ATOM 301 O LYS A 21 -9.378 -6.482 -1.314 1.00 0.15 O ATOM 302 CB LYS A 21 -11.258 -5.885 1.377 1.00 0.27 C ATOM 303 CG LYS A 21 -12.571 -6.083 2.135 1.00 0.29 C ATOM 304 CD LYS A 21 -12.331 -5.826 3.628 1.00 0.30 C ATOM 305 CE LYS A 21 -13.657 -5.545 4.342 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.402 -6.822 4.529 1.00 1.90 N ATOM 0 H LYS A 21 -11.022 -8.295 0.787 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.383 -6.062 -0.452 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.455 -6.430 1.873 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -10.979 -4.831 1.382 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.332 -5.402 1.754 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.944 -7.096 1.983 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.844 -6.691 4.079 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.656 -4.979 3.754 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.470 -5.076 5.308 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.255 -4.845 3.759 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.302 -6.631 5.014 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.593 -7.252 3.601 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.832 -7.476 5.103 1.00 1.90 H new ATOM 320 N LEU A 22 -10.367 -4.525 -1.215 1.00 0.13 N ATOM 321 CA LEU A 22 -9.298 -3.907 -2.041 1.00 0.11 C ATOM 322 C LEU A 22 -7.984 -3.971 -1.247 1.00 0.10 C ATOM 323 O LEU A 22 -7.993 -4.186 -0.051 1.00 0.11 O ATOM 324 CB LEU A 22 -9.680 -2.442 -2.348 1.00 0.12 C ATOM 325 CG LEU A 22 -9.415 -2.082 -3.824 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.749 -0.591 -4.055 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.945 -2.358 -4.183 1.00 0.11 C ATOM 0 H LEU A 22 -11.112 -3.894 -0.919 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.177 -4.437 -2.986 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.734 -2.285 -2.118 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.110 -1.774 -1.702 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.048 -2.697 -4.464 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.563 -0.334 -5.098 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.798 -0.412 -3.819 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.122 0.026 -3.411 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.771 -2.100 -5.228 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.296 -1.756 -3.547 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.725 -3.414 -4.029 1.00 0.11 H new ATOM 339 N VAL A 23 -6.859 -3.789 -1.890 1.00 0.08 N ATOM 340 CA VAL A 23 -5.555 -3.841 -1.159 1.00 0.09 C ATOM 341 C VAL A 23 -4.575 -2.838 -1.776 1.00 0.08 C ATOM 342 O VAL A 23 -4.029 -3.067 -2.835 1.00 0.09 O ATOM 343 CB VAL A 23 -4.963 -5.251 -1.266 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.815 -5.401 -0.265 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.046 -6.285 -0.951 1.00 0.10 C ATOM 0 H VAL A 23 -6.786 -3.606 -2.891 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.723 -3.590 -0.112 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.589 -5.410 -2.277 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.394 -6.404 -0.341 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.042 -4.665 -0.485 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.190 -5.241 0.746 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.625 -7.288 -1.027 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.420 -6.124 0.060 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.866 -6.181 -1.661 1.00 0.10 H new ATOM 355 N VAL A 24 -4.336 -1.734 -1.108 1.00 0.08 N ATOM 356 CA VAL A 24 -3.378 -0.714 -1.636 1.00 0.08 C ATOM 357 C VAL A 24 -2.062 -0.830 -0.862 1.00 0.08 C ATOM 358 O VAL A 24 -2.051 -0.922 0.349 1.00 0.08 O ATOM 359 CB VAL A 24 -3.969 0.689 -1.463 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.224 1.680 -2.360 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.449 0.666 -1.853 1.00 0.09 C ATOM 0 H VAL A 24 -4.767 -1.496 -0.215 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.196 -0.886 -2.697 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.866 0.998 -0.423 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.648 2.676 -2.233 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.169 1.697 -2.086 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.323 1.374 -3.401 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.873 1.663 -1.731 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.546 0.355 -2.893 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.983 -0.036 -1.213 1.00 0.09 H new ATOM 371 N VAL A 25 -0.956 -0.848 -1.561 1.00 0.09 N ATOM 372 CA VAL A 25 0.375 -0.982 -0.891 1.00 0.09 C ATOM 373 C VAL A 25 1.136 0.339 -0.982 1.00 0.10 C ATOM 374 O VAL A 25 1.143 0.991 -2.006 1.00 0.17 O ATOM 375 CB VAL A 25 1.182 -2.068 -1.606 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.358 -2.510 -0.729 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.276 -3.265 -1.891 1.00 0.09 C ATOM 0 H VAL A 25 -0.917 -0.775 -2.578 1.00 0.09 H new ATOM 0 HA VAL A 25 0.229 -1.245 0.157 1.00 0.09 H new ATOM 0 HB VAL A 25 1.570 -1.670 -2.544 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.927 -3.283 -1.246 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.005 -1.655 -0.530 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.980 -2.906 0.213 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.848 -4.041 -2.400 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.113 -3.658 -0.952 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.554 -2.951 -2.524 1.00 0.09 H new ATOM 387 N ASP A 26 1.787 0.726 0.082 1.00 0.08 N ATOM 388 CA ASP A 26 2.570 1.997 0.080 1.00 0.08 C ATOM 389 C ASP A 26 4.065 1.670 0.084 1.00 0.08 C ATOM 390 O ASP A 26 4.632 1.333 1.104 1.00 0.09 O ATOM 391 CB ASP A 26 2.222 2.806 1.333 1.00 0.09 C ATOM 392 CG ASP A 26 3.122 4.043 1.415 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.479 4.563 0.371 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.440 4.446 2.522 1.00 0.93 O ATOM 0 H ASP A 26 1.810 0.211 0.962 1.00 0.08 H new ATOM 0 HA ASP A 26 2.326 2.578 -0.810 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.175 3.107 1.304 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.352 2.190 2.223 1.00 0.09 H new ATOM 399 N PHE A 27 4.710 1.783 -1.044 1.00 0.08 N ATOM 400 CA PHE A 27 6.171 1.497 -1.105 1.00 0.09 C ATOM 401 C PHE A 27 6.921 2.786 -0.773 1.00 0.11 C ATOM 402 O PHE A 27 7.390 3.481 -1.655 1.00 0.13 O ATOM 403 CB PHE A 27 6.542 1.067 -2.526 1.00 0.10 C ATOM 404 CG PHE A 27 6.175 -0.381 -2.766 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.854 -0.739 -3.096 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.168 -1.373 -2.686 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.531 -2.088 -3.341 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.845 -2.718 -2.934 1.00 0.21 C ATOM 409 CZ PHE A 27 5.526 -3.076 -3.260 1.00 0.23 C ATOM 0 H PHE A 27 4.287 2.062 -1.929 1.00 0.08 H new ATOM 0 HA PHE A 27 6.430 0.705 -0.402 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.027 1.701 -3.248 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.611 1.206 -2.685 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.089 0.020 -3.161 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.182 -1.101 -2.433 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.517 -2.363 -3.591 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.611 -3.477 -2.874 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.277 -4.110 -3.448 1.00 0.23 H new ATOM 419 N SER A 28 7.028 3.113 0.490 1.00 0.11 N ATOM 420 CA SER A 28 7.740 4.362 0.899 1.00 0.12 C ATOM 421 C SER A 28 9.011 3.995 1.661 1.00 0.10 C ATOM 422 O SER A 28 9.068 2.994 2.347 1.00 0.11 O ATOM 423 CB SER A 28 6.832 5.190 1.807 1.00 0.17 C ATOM 424 OG SER A 28 5.682 5.596 1.078 1.00 1.03 O ATOM 0 H SER A 28 6.649 2.564 1.262 1.00 0.11 H new ATOM 0 HA SER A 28 7.998 4.940 0.012 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.537 4.604 2.677 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.368 6.063 2.178 1.00 0.17 H new ATOM 0 HG SER A 28 5.224 4.806 0.722 1.00 1.03 H new ATOM 430 N ALA A 29 10.028 4.806 1.557 1.00 0.10 N ATOM 431 CA ALA A 29 11.296 4.515 2.284 1.00 0.15 C ATOM 432 C ALA A 29 11.245 5.197 3.657 1.00 0.18 C ATOM 433 O ALA A 29 11.024 6.387 3.763 1.00 0.26 O ATOM 434 CB ALA A 29 12.477 5.045 1.460 1.00 0.19 C ATOM 0 H ALA A 29 10.035 5.660 0.999 1.00 0.10 H new ATOM 0 HA ALA A 29 11.421 3.441 2.425 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.409 4.836 1.985 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.491 4.555 0.487 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.371 6.121 1.323 1.00 0.19 H new ATOM 440 N THR A 30 11.430 4.444 4.706 1.00 0.18 N ATOM 441 CA THR A 30 11.374 5.035 6.074 1.00 0.23 C ATOM 442 C THR A 30 12.524 6.027 6.275 1.00 0.26 C ATOM 443 O THR A 30 12.454 6.909 7.107 1.00 0.31 O ATOM 444 CB THR A 30 11.479 3.915 7.112 1.00 0.26 C ATOM 445 OG1 THR A 30 11.358 4.467 8.414 1.00 0.32 O ATOM 446 CG2 THR A 30 12.833 3.213 6.977 1.00 0.28 C ATOM 0 H THR A 30 11.618 3.442 4.675 1.00 0.18 H new ATOM 0 HA THR A 30 10.429 5.565 6.193 1.00 0.23 H new ATOM 0 HB THR A 30 10.681 3.191 6.947 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.423 3.751 9.080 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.905 2.416 7.717 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.925 2.789 5.977 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.634 3.934 7.140 1.00 0.28 H new ATOM 454 N TRP A 31 13.590 5.887 5.531 1.00 0.26 N ATOM 455 CA TRP A 31 14.746 6.821 5.694 1.00 0.32 C ATOM 456 C TRP A 31 14.576 8.034 4.778 1.00 0.32 C ATOM 457 O TRP A 31 15.302 9.004 4.876 1.00 0.36 O ATOM 458 CB TRP A 31 16.041 6.087 5.336 1.00 0.34 C ATOM 459 CG TRP A 31 16.097 5.827 3.864 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.653 4.704 3.255 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.615 6.689 2.812 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.878 4.813 1.894 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.465 6.021 1.568 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.199 7.974 2.814 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.881 6.610 0.365 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.617 8.570 1.608 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.458 7.891 0.386 1.00 0.40 C ATOM 0 H TRP A 31 13.711 5.168 4.818 1.00 0.26 H new ATOM 0 HA TRP A 31 14.788 7.163 6.728 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.901 6.683 5.640 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.096 5.145 5.882 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.197 3.860 3.750 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.640 4.090 1.215 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.326 8.504 3.746 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.759 6.083 -0.570 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 18.062 9.554 1.621 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.779 8.354 -0.535 1.00 0.40 H new ATOM 478 N CYS A 32 13.634 7.982 3.877 1.00 0.28 N ATOM 479 CA CYS A 32 13.423 9.119 2.934 1.00 0.30 C ATOM 480 C CYS A 32 12.301 10.022 3.458 1.00 0.31 C ATOM 481 O CYS A 32 11.319 9.563 4.008 1.00 0.29 O ATOM 482 CB CYS A 32 13.061 8.544 1.560 1.00 0.28 C ATOM 483 SG CYS A 32 13.583 9.683 0.252 1.00 0.32 S ATOM 0 H CYS A 32 12.997 7.196 3.752 1.00 0.28 H new ATOM 0 HA CYS A 32 14.329 9.719 2.849 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.543 7.576 1.424 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.986 8.376 1.499 1.00 0.28 H new ATOM 488 N GLY A 33 12.458 11.310 3.306 1.00 0.34 N ATOM 489 CA GLY A 33 11.429 12.269 3.803 1.00 0.36 C ATOM 490 C GLY A 33 10.249 12.384 2.823 1.00 0.35 C ATOM 491 O GLY A 33 9.119 12.180 3.216 1.00 0.33 O ATOM 0 H GLY A 33 13.264 11.743 2.854 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.065 11.942 4.777 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.882 13.250 3.946 1.00 0.36 H new ATOM 495 N PRO A 34 10.528 12.740 1.585 1.00 0.37 N ATOM 496 CA PRO A 34 9.467 12.920 0.569 1.00 0.38 C ATOM 497 C PRO A 34 8.498 11.730 0.555 1.00 0.35 C ATOM 498 O PRO A 34 7.307 11.895 0.385 1.00 0.36 O ATOM 499 CB PRO A 34 10.233 13.058 -0.766 1.00 0.42 C ATOM 500 CG PRO A 34 11.719 13.328 -0.407 1.00 0.44 C ATOM 501 CD PRO A 34 11.900 12.982 1.086 1.00 0.40 C ATOM 0 HA PRO A 34 8.841 13.790 0.770 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.138 12.150 -1.361 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.825 13.874 -1.363 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.380 12.721 -1.025 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.976 14.371 -0.594 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.529 12.101 1.215 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.380 13.798 1.626 1.00 0.40 H new ATOM 509 N ALA A 35 8.982 10.538 0.739 1.00 0.33 N ATOM 510 CA ALA A 35 8.058 9.368 0.733 1.00 0.32 C ATOM 511 C ALA A 35 7.278 9.347 2.050 1.00 0.39 C ATOM 512 O ALA A 35 6.063 9.347 2.072 1.00 0.81 O ATOM 513 CB ALA A 35 8.872 8.079 0.595 1.00 0.36 C ATOM 0 H ALA A 35 9.967 10.320 0.892 1.00 0.33 H new ATOM 0 HA ALA A 35 7.364 9.445 -0.104 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.198 7.222 0.590 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.436 8.103 -0.338 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.563 7.993 1.434 1.00 0.36 H new ATOM 519 N LYS A 36 7.982 9.333 3.142 1.00 0.30 N ATOM 520 CA LYS A 36 7.322 9.318 4.477 1.00 0.28 C ATOM 521 C LYS A 36 6.440 10.559 4.652 1.00 0.24 C ATOM 522 O LYS A 36 5.544 10.585 5.471 1.00 0.25 O ATOM 523 CB LYS A 36 8.420 9.315 5.543 1.00 0.35 C ATOM 524 CG LYS A 36 7.815 9.031 6.915 1.00 0.38 C ATOM 525 CD LYS A 36 8.891 9.190 7.991 1.00 0.49 C ATOM 526 CE LYS A 36 8.349 8.710 9.340 1.00 1.22 C ATOM 527 NZ LYS A 36 9.466 8.622 10.320 1.00 1.92 N ATOM 0 H LYS A 36 9.002 9.331 3.169 1.00 0.30 H new ATOM 0 HA LYS A 36 6.690 8.435 4.569 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.169 8.560 5.303 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.930 10.278 5.554 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.989 9.715 7.108 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.406 8.021 6.942 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.777 8.616 7.720 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.196 10.234 8.062 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.586 9.398 9.703 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.872 7.736 9.227 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.099 8.296 11.237 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.179 7.949 9.974 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.901 9.559 10.435 1.00 1.92 H new ATOM 541 N MET A 37 6.702 11.593 3.906 1.00 0.23 N ATOM 542 CA MET A 37 5.901 12.841 4.049 1.00 0.24 C ATOM 543 C MET A 37 4.415 12.575 3.774 1.00 0.20 C ATOM 544 O MET A 37 3.559 13.337 4.181 1.00 0.20 O ATOM 545 CB MET A 37 6.423 13.891 3.058 1.00 0.29 C ATOM 546 CG MET A 37 5.886 15.276 3.435 1.00 1.31 C ATOM 547 SD MET A 37 6.720 15.856 4.936 1.00 2.12 S ATOM 548 CE MET A 37 5.362 16.865 5.582 1.00 3.13 C ATOM 0 H MET A 37 7.438 11.629 3.201 1.00 0.23 H new ATOM 0 HA MET A 37 6.002 13.204 5.072 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.513 13.900 3.065 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.112 13.634 2.045 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.054 15.978 2.618 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.809 15.229 3.599 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.666 17.325 6.522 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.112 17.644 4.861 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.489 16.235 5.752 1.00 3.13 H new ATOM 558 N ILE A 38 4.097 11.526 3.058 1.00 0.18 N ATOM 559 CA ILE A 38 2.662 11.250 2.722 1.00 0.15 C ATOM 560 C ILE A 38 2.065 10.196 3.664 1.00 0.16 C ATOM 561 O ILE A 38 1.018 9.642 3.392 1.00 0.16 O ATOM 562 CB ILE A 38 2.575 10.744 1.272 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.589 11.511 0.411 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.158 10.977 0.714 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.409 11.141 -1.070 1.00 0.28 C ATOM 0 H ILE A 38 4.766 10.849 2.691 1.00 0.18 H new ATOM 0 HA ILE A 38 2.094 12.173 2.838 1.00 0.15 H new ATOM 0 HB ILE A 38 2.796 9.677 1.251 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.454 12.584 0.545 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.603 11.275 0.732 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.107 10.615 -0.313 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.433 10.438 1.325 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.929 12.043 0.735 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.133 11.690 -1.673 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.567 10.070 -1.199 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.400 11.400 -1.390 1.00 0.28 H new ATOM 577 N LYS A 39 2.700 9.897 4.769 1.00 0.19 N ATOM 578 CA LYS A 39 2.107 8.870 5.672 1.00 0.22 C ATOM 579 C LYS A 39 0.797 9.339 6.333 1.00 0.20 C ATOM 580 O LYS A 39 -0.045 8.513 6.607 1.00 0.21 O ATOM 581 CB LYS A 39 3.102 8.375 6.754 1.00 0.31 C ATOM 582 CG LYS A 39 3.216 9.345 7.958 1.00 0.34 C ATOM 583 CD LYS A 39 3.688 8.586 9.209 1.00 0.45 C ATOM 584 CE LYS A 39 4.955 7.789 8.903 1.00 1.16 C ATOM 585 NZ LYS A 39 4.584 6.427 8.423 1.00 1.62 N ATOM 0 H LYS A 39 3.581 10.308 5.078 1.00 0.19 H new ATOM 0 HA LYS A 39 1.871 8.028 5.021 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.784 7.396 7.112 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.086 8.246 6.304 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.917 10.146 7.724 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.250 9.813 8.150 1.00 0.34 H new ATOM 0 HD2 LYS A 39 3.881 9.290 10.018 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.902 7.913 9.552 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.547 8.304 8.146 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.575 7.715 9.796 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.203 5.721 8.870 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.594 6.228 8.673 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.696 6.380 7.390 1.00 1.62 H new ATOM 599 N PRO A 40 0.645 10.613 6.641 1.00 0.20 N ATOM 600 CA PRO A 40 -0.567 11.052 7.353 1.00 0.21 C ATOM 601 C PRO A 40 -1.817 10.831 6.494 1.00 0.17 C ATOM 602 O PRO A 40 -2.928 10.978 6.959 1.00 0.20 O ATOM 603 CB PRO A 40 -0.336 12.545 7.653 1.00 0.24 C ATOM 604 CG PRO A 40 1.075 12.916 7.118 1.00 0.25 C ATOM 605 CD PRO A 40 1.591 11.707 6.314 1.00 0.21 C ATOM 0 HA PRO A 40 -0.737 10.484 8.268 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.101 13.155 7.173 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.402 12.736 8.724 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.026 13.804 6.488 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.750 13.146 7.942 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.601 11.917 5.244 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.611 11.448 6.598 1.00 0.21 H new ATOM 613 N PHE A 41 -1.642 10.482 5.247 1.00 0.14 N ATOM 614 CA PHE A 41 -2.817 10.250 4.353 1.00 0.14 C ATOM 615 C PHE A 41 -3.011 8.750 4.146 1.00 0.11 C ATOM 616 O PHE A 41 -3.958 8.169 4.631 1.00 0.13 O ATOM 617 CB PHE A 41 -2.561 10.939 3.009 1.00 0.15 C ATOM 618 CG PHE A 41 -2.847 12.413 3.161 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.868 13.262 3.703 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.099 12.928 2.784 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.140 14.632 3.865 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.375 14.297 2.950 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.394 15.150 3.489 1.00 0.27 C ATOM 0 H PHE A 41 -0.732 10.347 4.806 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.719 10.662 4.806 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.529 10.784 2.695 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.197 10.508 2.236 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.908 12.863 3.995 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.849 12.273 2.367 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.387 15.287 4.278 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.338 14.693 2.664 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.603 16.202 3.614 1.00 0.27 H new ATOM 633 N PHE A 42 -2.126 8.121 3.428 1.00 0.10 N ATOM 634 CA PHE A 42 -2.260 6.658 3.175 1.00 0.11 C ATOM 635 C PHE A 42 -2.625 5.914 4.470 1.00 0.11 C ATOM 636 O PHE A 42 -3.585 5.172 4.517 1.00 0.12 O ATOM 637 CB PHE A 42 -0.931 6.131 2.633 1.00 0.13 C ATOM 638 CG PHE A 42 -1.013 4.636 2.443 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.667 4.114 1.316 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.427 3.767 3.383 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.738 2.726 1.126 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.500 2.375 3.193 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.156 1.854 2.064 1.00 0.10 C ATOM 0 H PHE A 42 -1.309 8.559 3.002 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.056 6.489 2.450 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.697 6.615 1.685 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.124 6.375 3.323 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.116 4.781 0.595 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.078 4.169 4.249 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.241 2.326 0.258 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.052 1.707 3.914 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.213 0.786 1.917 1.00 0.10 H new ATOM 653 N HIS A 43 -1.867 6.103 5.515 1.00 0.14 N ATOM 654 CA HIS A 43 -2.173 5.400 6.797 1.00 0.16 C ATOM 655 C HIS A 43 -3.494 5.925 7.378 1.00 0.16 C ATOM 656 O HIS A 43 -4.246 5.189 7.986 1.00 0.18 O ATOM 657 CB HIS A 43 -1.009 5.623 7.783 1.00 0.21 C ATOM 658 CG HIS A 43 -1.483 5.523 9.210 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.313 4.380 9.975 1.00 0.35 N ATOM 660 CD2 HIS A 43 -2.124 6.427 10.020 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.843 4.625 11.189 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.352 5.857 11.269 1.00 0.39 N ATOM 0 H HIS A 43 -1.050 6.713 5.539 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.284 4.330 6.619 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.228 4.884 7.603 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.565 6.604 7.611 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.408 7.428 9.732 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.855 3.911 12.000 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.809 6.288 12.073 1.00 0.39 H new ATOM 670 N SER A 44 -3.779 7.187 7.215 1.00 0.20 N ATOM 671 CA SER A 44 -5.046 7.739 7.778 1.00 0.25 C ATOM 672 C SER A 44 -6.253 7.035 7.149 1.00 0.20 C ATOM 673 O SER A 44 -7.214 6.722 7.822 1.00 0.21 O ATOM 674 CB SER A 44 -5.116 9.244 7.506 1.00 0.34 C ATOM 675 OG SER A 44 -4.358 9.930 8.492 1.00 0.97 O ATOM 0 H SER A 44 -3.193 7.859 6.719 1.00 0.20 H new ATOM 0 HA SER A 44 -5.063 7.568 8.854 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.727 9.465 6.512 1.00 0.34 H new ATOM 0 HB3 SER A 44 -6.152 9.582 7.526 1.00 0.34 H new ATOM 0 HG SER A 44 -3.528 10.264 8.093 1.00 0.97 H new ATOM 681 N LEU A 45 -6.222 6.784 5.866 1.00 0.18 N ATOM 682 CA LEU A 45 -7.384 6.105 5.219 1.00 0.18 C ATOM 683 C LEU A 45 -7.724 4.829 5.994 1.00 0.16 C ATOM 684 O LEU A 45 -8.813 4.303 5.893 1.00 0.23 O ATOM 685 CB LEU A 45 -7.041 5.739 3.768 1.00 0.19 C ATOM 686 CG LEU A 45 -6.603 6.986 2.985 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.337 6.595 1.528 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.700 8.065 3.038 1.00 0.50 C ATOM 0 H LEU A 45 -5.449 7.017 5.243 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.239 6.782 5.225 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.244 4.995 3.753 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.908 5.287 3.287 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.695 7.389 3.433 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.026 7.476 0.966 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.548 5.843 1.491 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.247 6.187 1.089 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.375 8.942 2.479 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.617 7.673 2.598 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.886 8.344 4.075 1.00 0.50 H new ATOM 700 N SER A 46 -6.804 4.330 6.771 1.00 0.20 N ATOM 701 CA SER A 46 -7.086 3.094 7.551 1.00 0.25 C ATOM 702 C SER A 46 -8.298 3.324 8.458 1.00 0.17 C ATOM 703 O SER A 46 -9.052 2.414 8.741 1.00 0.15 O ATOM 704 CB SER A 46 -5.871 2.741 8.409 1.00 0.36 C ATOM 705 OG SER A 46 -4.728 2.616 7.575 1.00 0.51 O ATOM 0 H SER A 46 -5.872 4.723 6.899 1.00 0.20 H new ATOM 0 HA SER A 46 -7.296 2.275 6.863 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.705 3.513 9.160 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.048 1.808 8.945 1.00 0.36 H new ATOM 0 HG SER A 46 -4.197 3.438 7.622 1.00 0.51 H new ATOM 711 N GLU A 47 -8.482 4.532 8.929 1.00 0.21 N ATOM 712 CA GLU A 47 -9.636 4.824 9.835 1.00 0.21 C ATOM 713 C GLU A 47 -10.819 5.368 9.029 1.00 0.18 C ATOM 714 O GLU A 47 -11.950 5.309 9.468 1.00 0.18 O ATOM 715 CB GLU A 47 -9.205 5.857 10.883 1.00 0.32 C ATOM 716 CG GLU A 47 -7.800 5.515 11.392 1.00 0.39 C ATOM 717 CD GLU A 47 -7.532 6.250 12.708 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.409 6.242 13.556 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.454 6.804 12.847 1.00 1.98 O ATOM 0 H GLU A 47 -7.881 5.331 8.725 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.945 3.903 10.330 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.212 6.856 10.448 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.912 5.865 11.713 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.709 4.439 11.541 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.055 5.798 10.648 1.00 0.39 H new ATOM 726 N LYS A 48 -10.578 5.891 7.855 1.00 0.18 N ATOM 727 CA LYS A 48 -11.706 6.428 7.034 1.00 0.17 C ATOM 728 C LYS A 48 -12.248 5.306 6.145 1.00 0.15 C ATOM 729 O LYS A 48 -13.364 5.365 5.666 1.00 0.18 O ATOM 730 CB LYS A 48 -11.204 7.585 6.157 1.00 0.21 C ATOM 731 CG LYS A 48 -12.397 8.349 5.561 1.00 0.26 C ATOM 732 CD LYS A 48 -11.937 9.724 5.059 1.00 1.09 C ATOM 733 CE LYS A 48 -10.857 9.554 3.987 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.748 10.811 3.195 1.00 2.16 N ATOM 0 H LYS A 48 -9.654 5.970 7.430 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.496 6.796 7.688 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.588 8.261 6.750 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.573 7.198 5.357 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.832 7.779 4.740 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.176 8.469 6.314 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.785 10.273 4.649 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.547 10.312 5.890 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -9.900 9.320 4.453 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.106 8.719 3.333 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -10.015 10.699 2.466 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.661 11.015 2.740 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -10.492 11.597 3.825 1.00 2.16 H new ATOM 748 N TYR A 49 -11.461 4.282 5.933 1.00 0.13 N ATOM 749 CA TYR A 49 -11.906 3.133 5.086 1.00 0.13 C ATOM 750 C TYR A 49 -11.534 1.825 5.786 1.00 0.11 C ATOM 751 O TYR A 49 -10.682 1.086 5.333 1.00 0.11 O ATOM 752 CB TYR A 49 -11.213 3.205 3.717 1.00 0.15 C ATOM 753 CG TYR A 49 -11.932 4.208 2.841 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.202 3.895 2.324 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.341 5.451 2.546 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.880 4.822 1.513 1.00 0.21 C ATOM 757 CE2 TYR A 49 -12.020 6.378 1.737 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.290 6.064 1.220 1.00 0.21 C ATOM 759 OH TYR A 49 -13.956 6.974 0.423 1.00 0.24 O ATOM 0 H TYR A 49 -10.519 4.192 6.314 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.985 3.176 4.941 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.170 3.495 3.840 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.217 2.223 3.243 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.657 2.942 2.550 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.365 5.692 2.942 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.854 4.580 1.115 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.567 7.332 1.512 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.409 7.781 0.321 1.00 0.24 H new ATOM 769 N SER A 50 -12.170 1.531 6.886 1.00 0.12 N ATOM 770 CA SER A 50 -11.858 0.269 7.611 1.00 0.13 C ATOM 771 C SER A 50 -12.285 -0.916 6.745 1.00 0.13 C ATOM 772 O SER A 50 -12.084 -2.062 7.096 1.00 0.14 O ATOM 773 CB SER A 50 -12.620 0.238 8.935 1.00 0.16 C ATOM 774 OG SER A 50 -14.014 0.354 8.678 1.00 0.17 O ATOM 0 H SER A 50 -12.892 2.111 7.314 1.00 0.12 H new ATOM 0 HA SER A 50 -10.788 0.212 7.814 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.412 -0.691 9.466 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.288 1.053 9.578 1.00 0.16 H new ATOM 0 HG SER A 50 -14.506 0.333 9.525 1.00 0.17 H new ATOM 780 N ASN A 51 -12.879 -0.643 5.612 1.00 0.13 N ATOM 781 CA ASN A 51 -13.334 -1.737 4.705 1.00 0.15 C ATOM 782 C ASN A 51 -12.265 -1.990 3.639 1.00 0.13 C ATOM 783 O ASN A 51 -12.432 -2.820 2.766 1.00 0.14 O ATOM 784 CB ASN A 51 -14.639 -1.312 4.029 1.00 0.17 C ATOM 785 CG ASN A 51 -15.204 -2.477 3.216 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.006 -3.245 3.709 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.819 -2.643 1.981 1.00 0.32 N ATOM 0 H ASN A 51 -13.070 0.300 5.274 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.496 -2.650 5.278 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.363 -0.996 4.781 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.460 -0.456 3.379 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.191 -3.417 1.430 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.146 -1.999 1.566 1.00 0.32 H new ATOM 794 N VAL A 52 -11.164 -1.282 3.712 1.00 0.11 N ATOM 795 CA VAL A 52 -10.060 -1.466 2.715 1.00 0.10 C ATOM 796 C VAL A 52 -8.811 -1.967 3.440 1.00 0.10 C ATOM 797 O VAL A 52 -8.593 -1.672 4.600 1.00 0.11 O ATOM 798 CB VAL A 52 -9.751 -0.124 2.044 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.499 -0.254 1.164 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.945 0.300 1.179 1.00 0.12 C ATOM 0 H VAL A 52 -10.980 -0.577 4.426 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.364 -2.190 1.959 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.570 0.628 2.812 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.286 0.704 0.690 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.650 -0.551 1.780 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.671 -1.008 0.396 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.727 1.255 0.701 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.127 -0.455 0.415 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.831 0.402 1.806 1.00 0.12 H new ATOM 810 N ILE A 53 -7.993 -2.728 2.763 1.00 0.09 N ATOM 811 CA ILE A 53 -6.749 -3.269 3.392 1.00 0.09 C ATOM 812 C ILE A 53 -5.550 -2.426 2.936 1.00 0.09 C ATOM 813 O ILE A 53 -5.348 -2.213 1.758 1.00 0.14 O ATOM 814 CB ILE A 53 -6.553 -4.719 2.933 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.893 -5.481 2.989 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.498 -5.413 3.804 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.612 -5.272 4.335 1.00 0.17 C ATOM 0 H ILE A 53 -8.134 -3.002 1.791 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.831 -3.232 4.478 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.200 -4.718 1.902 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.537 -5.145 2.176 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.713 -6.545 2.834 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.368 -6.442 3.468 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.550 -4.881 3.720 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.825 -5.410 4.844 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.552 -5.825 4.335 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.979 -5.633 5.146 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.815 -4.211 4.478 1.00 0.17 H new ATOM 829 N PHE A 54 -4.755 -1.947 3.861 1.00 0.08 N ATOM 830 CA PHE A 54 -3.562 -1.115 3.498 1.00 0.08 C ATOM 831 C PHE A 54 -2.285 -1.844 3.924 1.00 0.08 C ATOM 832 O PHE A 54 -2.191 -2.354 5.022 1.00 0.11 O ATOM 833 CB PHE A 54 -3.647 0.230 4.219 1.00 0.08 C ATOM 834 CG PHE A 54 -4.860 0.980 3.719 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.842 1.561 2.439 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.007 1.093 4.526 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.970 2.257 1.966 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.135 1.787 4.052 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.115 2.370 2.773 1.00 0.09 C ATOM 0 H PHE A 54 -4.882 -2.098 4.862 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.543 -0.951 2.421 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.717 0.076 5.296 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.743 0.812 4.038 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.962 1.473 1.819 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.021 0.647 5.509 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.956 2.704 0.983 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.016 1.872 4.671 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.980 2.905 2.410 1.00 0.09 H new ATOM 849 N LEU A 55 -1.306 -1.902 3.058 1.00 0.08 N ATOM 850 CA LEU A 55 -0.023 -2.602 3.386 1.00 0.09 C ATOM 851 C LEU A 55 1.114 -1.572 3.398 1.00 0.09 C ATOM 852 O LEU A 55 0.932 -0.426 3.033 1.00 0.10 O ATOM 853 CB LEU A 55 0.271 -3.663 2.310 1.00 0.10 C ATOM 854 CG LEU A 55 -0.522 -4.957 2.569 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.017 -4.652 2.757 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.331 -5.897 1.369 1.00 0.12 C ATOM 0 H LEU A 55 -1.340 -1.490 2.126 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.104 -3.083 4.361 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.015 -3.268 1.327 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.338 -3.884 2.297 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.155 -5.428 3.481 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.558 -5.581 2.939 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.148 -3.984 3.608 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.407 -4.175 1.858 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.887 -6.819 1.537 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.698 -5.412 0.465 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.728 -6.128 1.253 1.00 0.12 H new ATOM 868 N GLU A 56 2.289 -1.978 3.804 1.00 0.09 N ATOM 869 CA GLU A 56 3.453 -1.042 3.834 1.00 0.09 C ATOM 870 C GLU A 56 4.709 -1.825 3.453 1.00 0.09 C ATOM 871 O GLU A 56 4.868 -2.969 3.832 1.00 0.10 O ATOM 872 CB GLU A 56 3.608 -0.460 5.245 1.00 0.09 C ATOM 873 CG GLU A 56 4.576 0.729 5.211 1.00 0.11 C ATOM 874 CD GLU A 56 4.508 1.482 6.542 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.264 0.843 7.551 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.698 2.688 6.527 1.00 1.24 O ATOM 0 H GLU A 56 2.494 -2.926 4.119 1.00 0.09 H new ATOM 0 HA GLU A 56 3.298 -0.222 3.132 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.638 -0.141 5.625 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.981 -1.225 5.925 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.592 0.379 5.031 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.319 1.397 4.389 1.00 0.11 H new ATOM 883 N VAL A 57 5.593 -1.236 2.684 1.00 0.08 N ATOM 884 CA VAL A 57 6.828 -1.967 2.255 1.00 0.08 C ATOM 885 C VAL A 57 8.053 -1.050 2.353 1.00 0.09 C ATOM 886 O VAL A 57 8.008 0.113 1.997 1.00 0.14 O ATOM 887 CB VAL A 57 6.672 -2.417 0.791 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.002 -2.996 0.286 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.574 -3.487 0.668 1.00 0.09 C ATOM 0 H VAL A 57 5.513 -0.281 2.335 1.00 0.08 H new ATOM 0 HA VAL A 57 6.966 -2.829 2.907 1.00 0.08 H new ATOM 0 HB VAL A 57 6.391 -1.552 0.190 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.890 -3.314 -0.751 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.778 -2.234 0.350 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.283 -3.852 0.900 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.479 -3.792 -0.374 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.839 -4.352 1.277 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.625 -3.076 1.014 1.00 0.09 H new ATOM 899 N ASP A 58 9.157 -1.592 2.803 1.00 0.09 N ATOM 900 CA ASP A 58 10.421 -0.802 2.897 1.00 0.09 C ATOM 901 C ASP A 58 11.283 -1.161 1.681 1.00 0.10 C ATOM 902 O ASP A 58 11.944 -2.179 1.655 1.00 0.11 O ATOM 903 CB ASP A 58 11.158 -1.175 4.190 1.00 0.11 C ATOM 904 CG ASP A 58 12.142 -0.065 4.574 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.711 0.885 5.207 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.304 -0.181 4.225 1.00 1.08 O ATOM 0 H ASP A 58 9.236 -2.561 3.113 1.00 0.09 H new ATOM 0 HA ASP A 58 10.212 0.268 2.911 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.440 -1.330 4.995 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.693 -2.115 4.055 1.00 0.11 H new ATOM 911 N VAL A 59 11.248 -0.354 0.662 1.00 0.12 N ATOM 912 CA VAL A 59 12.026 -0.664 -0.572 1.00 0.15 C ATOM 913 C VAL A 59 13.511 -0.881 -0.258 1.00 0.18 C ATOM 914 O VAL A 59 14.247 -1.379 -1.086 1.00 0.27 O ATOM 915 CB VAL A 59 11.892 0.503 -1.554 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.461 0.555 -2.099 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.216 1.815 -0.832 1.00 0.22 C ATOM 0 H VAL A 59 10.712 0.513 0.628 1.00 0.12 H new ATOM 0 HA VAL A 59 11.628 -1.582 -1.005 1.00 0.15 H new ATOM 0 HB VAL A 59 12.587 0.363 -2.382 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.368 1.386 -2.798 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.233 -0.379 -2.613 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.762 0.694 -1.274 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.121 2.647 -1.530 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.522 1.955 -0.003 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.236 1.777 -0.449 1.00 0.22 H new ATOM 927 N ASP A 60 13.969 -0.498 0.908 1.00 0.16 N ATOM 928 CA ASP A 60 15.424 -0.663 1.238 1.00 0.18 C ATOM 929 C ASP A 60 15.651 -1.861 2.169 1.00 0.17 C ATOM 930 O ASP A 60 16.623 -2.576 2.032 1.00 0.18 O ATOM 931 CB ASP A 60 15.935 0.608 1.918 1.00 0.21 C ATOM 932 CG ASP A 60 15.647 1.822 1.036 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.395 2.036 0.098 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.691 2.525 1.317 1.00 1.08 O ATOM 0 H ASP A 60 13.403 -0.079 1.646 1.00 0.16 H new ATOM 0 HA ASP A 60 15.968 -0.842 0.310 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.454 0.730 2.888 1.00 0.21 H new ATOM 0 HB3 ASP A 60 17.006 0.527 2.102 1.00 0.21 H new ATOM 939 N ASP A 61 14.781 -2.083 3.123 1.00 0.17 N ATOM 940 CA ASP A 61 14.976 -3.233 4.063 1.00 0.17 C ATOM 941 C ASP A 61 14.221 -4.465 3.537 1.00 0.16 C ATOM 942 O ASP A 61 14.459 -5.574 3.971 1.00 0.18 O ATOM 943 CB ASP A 61 14.476 -2.835 5.465 1.00 0.19 C ATOM 944 CG ASP A 61 14.181 -4.083 6.306 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.197 -4.746 6.021 1.00 1.07 O ATOM 946 OD2 ASP A 61 14.944 -4.352 7.220 1.00 1.12 O ATOM 0 H ASP A 61 13.947 -1.521 3.292 1.00 0.17 H new ATOM 0 HA ASP A 61 16.034 -3.485 4.130 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.226 -2.222 5.964 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.575 -2.228 5.377 1.00 0.19 H new ATOM 951 N ALA A 62 13.334 -4.279 2.588 1.00 0.16 N ATOM 952 CA ALA A 62 12.577 -5.436 2.003 1.00 0.16 C ATOM 953 C ALA A 62 12.769 -5.419 0.485 1.00 0.16 C ATOM 954 O ALA A 62 11.826 -5.496 -0.278 1.00 0.15 O ATOM 955 CB ALA A 62 11.087 -5.313 2.333 1.00 0.17 C ATOM 0 H ALA A 62 13.099 -3.370 2.190 1.00 0.16 H new ATOM 0 HA ALA A 62 12.949 -6.371 2.422 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.548 -6.158 1.904 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.953 -5.309 3.415 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.697 -4.384 1.916 1.00 0.17 H new ATOM 961 N GLN A 63 13.993 -5.308 0.049 1.00 0.20 N ATOM 962 CA GLN A 63 14.275 -5.271 -1.413 1.00 0.22 C ATOM 963 C GLN A 63 13.680 -6.508 -2.089 1.00 0.20 C ATOM 964 O GLN A 63 13.564 -6.572 -3.297 1.00 0.20 O ATOM 965 CB GLN A 63 15.790 -5.241 -1.637 1.00 0.29 C ATOM 966 CG GLN A 63 16.421 -4.190 -0.719 1.00 0.90 C ATOM 967 CD GLN A 63 17.905 -4.039 -1.057 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.263 -3.331 -1.977 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.792 -4.682 -0.346 1.00 2.22 N ATOM 0 H GLN A 63 14.816 -5.241 0.648 1.00 0.20 H new ATOM 0 HA GLN A 63 13.824 -4.378 -1.845 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.218 -6.222 -1.432 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.010 -5.008 -2.679 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.911 -3.234 -0.839 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.303 -4.485 0.324 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.492 -5.277 0.427 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.784 -4.589 -0.563 1.00 2.22 H new ATOM 978 N ASP A 64 13.304 -7.495 -1.323 1.00 0.19 N ATOM 979 CA ASP A 64 12.721 -8.725 -1.927 1.00 0.20 C ATOM 980 C ASP A 64 11.338 -8.406 -2.495 1.00 0.17 C ATOM 981 O ASP A 64 10.967 -8.877 -3.553 1.00 0.19 O ATOM 982 CB ASP A 64 12.597 -9.810 -0.854 1.00 0.22 C ATOM 983 CG ASP A 64 11.887 -9.250 0.383 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.049 -8.073 0.658 1.00 1.11 O ATOM 985 OD2 ASP A 64 11.193 -10.012 1.037 1.00 1.09 O ATOM 0 H ASP A 64 13.375 -7.502 -0.306 1.00 0.19 H new ATOM 0 HA ASP A 64 13.369 -9.080 -2.728 1.00 0.20 H new ATOM 0 HB2 ASP A 64 12.040 -10.660 -1.248 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.586 -10.176 -0.580 1.00 0.22 H new ATOM 990 N VAL A 65 10.577 -7.601 -1.811 1.00 0.15 N ATOM 991 CA VAL A 65 9.226 -7.241 -2.318 1.00 0.16 C ATOM 992 C VAL A 65 9.386 -6.245 -3.466 1.00 0.16 C ATOM 993 O VAL A 65 8.782 -6.380 -4.511 1.00 0.19 O ATOM 994 CB VAL A 65 8.416 -6.599 -1.191 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.958 -6.429 -1.632 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.469 -7.492 0.051 1.00 0.18 C ATOM 0 H VAL A 65 10.833 -7.176 -0.920 1.00 0.15 H new ATOM 0 HA VAL A 65 8.706 -8.133 -2.669 1.00 0.16 H new ATOM 0 HB VAL A 65 8.840 -5.622 -0.958 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.385 -5.971 -0.826 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.917 -5.790 -2.514 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.534 -7.404 -1.870 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.891 -7.034 0.854 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.049 -8.470 -0.186 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.504 -7.610 0.371 1.00 0.18 H new ATOM 1006 N ALA A 66 10.206 -5.245 -3.278 1.00 0.16 N ATOM 1007 CA ALA A 66 10.418 -4.242 -4.356 1.00 0.18 C ATOM 1008 C ALA A 66 11.033 -4.937 -5.571 1.00 0.19 C ATOM 1009 O ALA A 66 10.760 -4.588 -6.703 1.00 0.20 O ATOM 1010 CB ALA A 66 11.366 -3.148 -3.859 1.00 0.22 C ATOM 0 H ALA A 66 10.737 -5.081 -2.423 1.00 0.16 H new ATOM 0 HA ALA A 66 9.464 -3.793 -4.632 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.521 -2.414 -4.650 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.931 -2.657 -2.988 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.323 -3.593 -3.585 1.00 0.22 H new ATOM 1016 N SER A 67 11.860 -5.922 -5.344 1.00 0.21 N ATOM 1017 CA SER A 67 12.489 -6.643 -6.484 1.00 0.26 C ATOM 1018 C SER A 67 11.397 -7.344 -7.296 1.00 0.26 C ATOM 1019 O SER A 67 11.376 -7.288 -8.510 1.00 0.29 O ATOM 1020 CB SER A 67 13.484 -7.677 -5.948 1.00 0.31 C ATOM 1021 OG SER A 67 14.691 -7.020 -5.583 1.00 1.29 O ATOM 0 H SER A 67 12.126 -6.257 -4.418 1.00 0.21 H new ATOM 0 HA SER A 67 13.019 -5.936 -7.122 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.062 -8.193 -5.086 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.683 -8.434 -6.706 1.00 0.31 H new ATOM 0 HG SER A 67 14.557 -6.532 -4.744 1.00 1.29 H new ATOM 1027 N GLU A 68 10.485 -8.001 -6.632 1.00 0.26 N ATOM 1028 CA GLU A 68 9.390 -8.701 -7.362 1.00 0.30 C ATOM 1029 C GLU A 68 8.535 -7.673 -8.106 1.00 0.31 C ATOM 1030 O GLU A 68 8.131 -7.888 -9.232 1.00 0.36 O ATOM 1031 CB GLU A 68 8.519 -9.463 -6.359 1.00 0.31 C ATOM 1032 CG GLU A 68 7.421 -10.224 -7.108 1.00 0.39 C ATOM 1033 CD GLU A 68 6.743 -11.213 -6.157 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.180 -10.765 -5.171 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.800 -12.401 -6.429 1.00 2.19 O ATOM 0 H GLU A 68 10.451 -8.083 -5.616 1.00 0.26 H new ATOM 0 HA GLU A 68 9.818 -9.402 -8.079 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.131 -10.159 -5.785 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.073 -8.768 -5.647 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.686 -9.524 -7.506 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.848 -10.756 -7.958 1.00 0.39 H new ATOM 1042 N ALA A 69 8.253 -6.556 -7.487 1.00 0.29 N ATOM 1043 CA ALA A 69 7.421 -5.511 -8.159 1.00 0.31 C ATOM 1044 C ALA A 69 8.325 -4.566 -8.960 1.00 0.29 C ATOM 1045 O ALA A 69 7.858 -3.663 -9.625 1.00 0.33 O ATOM 1046 CB ALA A 69 6.653 -4.716 -7.096 1.00 0.31 C ATOM 0 H ALA A 69 8.563 -6.321 -6.544 1.00 0.29 H new ATOM 0 HA ALA A 69 6.715 -5.988 -8.838 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.045 -3.953 -7.581 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.008 -5.390 -6.533 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.360 -4.239 -6.417 1.00 0.31 H new ATOM 1052 N GLU A 70 9.613 -4.767 -8.906 1.00 0.27 N ATOM 1053 CA GLU A 70 10.543 -3.881 -9.668 1.00 0.29 C ATOM 1054 C GLU A 70 10.196 -2.408 -9.414 1.00 0.25 C ATOM 1055 O GLU A 70 10.010 -1.638 -10.335 1.00 0.26 O ATOM 1056 CB GLU A 70 10.420 -4.178 -11.163 1.00 0.38 C ATOM 1057 CG GLU A 70 10.740 -5.652 -11.423 1.00 1.18 C ATOM 1058 CD GLU A 70 10.369 -6.010 -12.863 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.314 -5.584 -13.303 1.00 2.06 O ATOM 1060 OE2 GLU A 70 11.145 -6.701 -13.501 1.00 2.34 O ATOM 0 H GLU A 70 10.064 -5.507 -8.367 1.00 0.27 H new ATOM 0 HA GLU A 70 11.564 -4.070 -9.336 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.412 -3.948 -11.508 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.102 -3.542 -11.727 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.800 -5.840 -11.252 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.188 -6.283 -10.727 1.00 1.18 H new ATOM 1067 N VAL A 71 10.118 -2.012 -8.174 1.00 0.22 N ATOM 1068 CA VAL A 71 9.797 -0.591 -7.852 1.00 0.19 C ATOM 1069 C VAL A 71 11.061 0.257 -8.009 1.00 0.23 C ATOM 1070 O VAL A 71 12.113 -0.092 -7.511 1.00 0.28 O ATOM 1071 CB VAL A 71 9.291 -0.505 -6.413 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.718 0.888 -6.161 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.192 -1.548 -6.203 1.00 0.19 C ATOM 0 H VAL A 71 10.264 -2.615 -7.364 1.00 0.22 H new ATOM 0 HA VAL A 71 9.027 -0.220 -8.528 1.00 0.19 H new ATOM 0 HB VAL A 71 10.114 -0.693 -5.723 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.356 0.952 -5.135 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.496 1.635 -6.319 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.893 1.072 -6.849 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.827 -1.491 -5.177 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.370 -1.354 -6.892 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.595 -2.544 -6.390 1.00 0.19 H new ATOM 1083 N LYS A 72 10.970 1.364 -8.709 1.00 0.24 N ATOM 1084 CA LYS A 72 12.168 2.238 -8.917 1.00 0.29 C ATOM 1085 C LYS A 72 11.819 3.692 -8.574 1.00 0.26 C ATOM 1086 O LYS A 72 12.588 4.599 -8.824 1.00 0.27 O ATOM 1087 CB LYS A 72 12.604 2.145 -10.383 1.00 0.35 C ATOM 1088 CG LYS A 72 12.818 0.675 -10.755 1.00 0.43 C ATOM 1089 CD LYS A 72 13.456 0.576 -12.143 1.00 1.16 C ATOM 1090 CE LYS A 72 13.871 -0.873 -12.412 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.340 -1.004 -13.820 1.00 2.40 N ATOM 0 H LYS A 72 10.113 1.701 -9.147 1.00 0.24 H new ATOM 0 HA LYS A 72 12.979 1.907 -8.268 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.846 2.589 -11.029 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.524 2.709 -10.537 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.458 0.193 -10.016 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.865 0.146 -10.745 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.751 0.911 -12.904 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.325 1.231 -12.203 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.664 -1.169 -11.725 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.029 -1.542 -12.234 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.622 -1.988 -14.002 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 13.571 -0.738 -14.468 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 15.155 -0.377 -13.974 1.00 2.40 H new ATOM 1105 N ALA A 73 10.671 3.922 -7.993 1.00 0.22 N ATOM 1106 CA ALA A 73 10.280 5.320 -7.621 1.00 0.20 C ATOM 1107 C ALA A 73 9.312 5.265 -6.434 1.00 0.18 C ATOM 1108 O ALA A 73 8.332 4.556 -6.471 1.00 0.16 O ATOM 1109 CB ALA A 73 9.600 6.000 -8.824 1.00 0.21 C ATOM 0 H ALA A 73 9.985 3.204 -7.759 1.00 0.22 H new ATOM 0 HA ALA A 73 11.164 5.894 -7.344 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.315 7.017 -8.554 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.292 6.028 -9.665 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.710 5.437 -9.105 1.00 0.21 H new ATOM 1115 N THR A 74 9.574 6.011 -5.385 1.00 0.18 N ATOM 1116 CA THR A 74 8.657 5.995 -4.195 1.00 0.17 C ATOM 1117 C THR A 74 8.014 7.385 -4.035 1.00 0.17 C ATOM 1118 O THR A 74 8.634 8.373 -4.373 1.00 0.19 O ATOM 1119 CB THR A 74 9.465 5.679 -2.922 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.480 6.652 -2.753 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.116 4.291 -3.015 1.00 0.19 C ATOM 0 H THR A 74 10.381 6.629 -5.300 1.00 0.18 H new ATOM 0 HA THR A 74 7.889 5.236 -4.343 1.00 0.17 H new ATOM 0 HB THR A 74 8.783 5.692 -2.072 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.937 6.503 -1.899 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.681 4.092 -2.104 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.342 3.533 -3.135 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.788 4.261 -3.872 1.00 0.19 H new ATOM 1129 N PRO A 75 6.807 7.450 -3.496 1.00 0.17 N ATOM 1130 CA PRO A 75 6.002 6.279 -3.065 1.00 0.16 C ATOM 1131 C PRO A 75 5.348 5.614 -4.281 1.00 0.14 C ATOM 1132 O PRO A 75 4.934 6.279 -5.212 1.00 0.14 O ATOM 1133 CB PRO A 75 4.920 6.882 -2.143 1.00 0.17 C ATOM 1134 CG PRO A 75 4.956 8.422 -2.335 1.00 0.20 C ATOM 1135 CD PRO A 75 6.164 8.749 -3.238 1.00 0.19 C ATOM 0 HA PRO A 75 6.601 5.517 -2.567 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.936 6.486 -2.395 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.112 6.620 -1.103 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.030 8.773 -2.791 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.049 8.926 -1.373 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.846 9.224 -4.166 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.850 9.439 -2.746 1.00 0.19 H new ATOM 1143 N THR A 76 5.230 4.307 -4.267 1.00 0.13 N ATOM 1144 CA THR A 76 4.573 3.591 -5.407 1.00 0.12 C ATOM 1145 C THR A 76 3.289 2.956 -4.886 1.00 0.12 C ATOM 1146 O THR A 76 3.323 2.068 -4.058 1.00 0.18 O ATOM 1147 CB THR A 76 5.491 2.480 -5.953 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.833 2.932 -5.932 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.097 2.141 -7.395 1.00 0.13 C ATOM 0 H THR A 76 5.561 3.704 -3.514 1.00 0.13 H new ATOM 0 HA THR A 76 4.367 4.299 -6.210 1.00 0.12 H new ATOM 0 HB THR A 76 5.388 1.590 -5.332 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.937 3.677 -6.560 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.750 1.355 -7.775 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.063 1.797 -7.418 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.198 3.030 -8.018 1.00 0.13 H new ATOM 1157 N PHE A 77 2.158 3.395 -5.362 1.00 0.09 N ATOM 1158 CA PHE A 77 0.880 2.796 -4.887 1.00 0.09 C ATOM 1159 C PHE A 77 0.499 1.657 -5.815 1.00 0.09 C ATOM 1160 O PHE A 77 0.292 1.840 -6.999 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.224 3.850 -4.876 1.00 0.10 C ATOM 1162 CG PHE A 77 0.085 4.848 -3.793 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.132 4.500 -2.451 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.605 6.113 -4.121 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.169 5.419 -1.432 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.904 7.034 -3.103 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.686 6.688 -1.758 1.00 0.12 C ATOM 0 H PHE A 77 2.063 4.138 -6.055 1.00 0.09 H new ATOM 0 HA PHE A 77 1.008 2.420 -3.872 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.284 4.347 -5.844 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.193 3.383 -4.697 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.530 3.527 -2.202 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.774 6.376 -5.155 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.004 5.152 -0.399 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.301 8.007 -3.353 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.915 7.395 -0.975 1.00 0.12 H new ATOM 1177 N GLN A 78 0.417 0.477 -5.274 1.00 0.07 N ATOM 1178 CA GLN A 78 0.061 -0.718 -6.081 1.00 0.07 C ATOM 1179 C GLN A 78 -1.250 -1.277 -5.541 1.00 0.06 C ATOM 1180 O GLN A 78 -1.457 -1.349 -4.346 1.00 0.07 O ATOM 1181 CB GLN A 78 1.180 -1.753 -5.935 1.00 0.08 C ATOM 1182 CG GLN A 78 2.539 -1.064 -6.110 1.00 0.12 C ATOM 1183 CD GLN A 78 3.619 -2.108 -6.410 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.325 -3.185 -6.891 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.866 -1.832 -6.144 1.00 1.03 N ATOM 0 H GLN A 78 0.585 0.287 -4.286 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.056 -0.465 -7.135 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.125 -2.229 -4.956 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.061 -2.541 -6.679 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.487 -0.339 -6.922 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.796 -0.512 -5.206 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.113 -0.929 -5.740 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.593 -2.520 -6.340 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.146 -1.644 -6.415 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.471 -2.167 -5.972 1.00 0.07 C ATOM 1196 C PHE A 79 -3.568 -3.654 -6.292 1.00 0.07 C ATOM 1197 O PHE A 79 -3.372 -4.076 -7.415 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.574 -1.406 -6.710 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.538 0.040 -6.273 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.487 0.866 -6.695 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.535 0.553 -5.429 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.429 2.207 -6.280 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.480 1.891 -5.006 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.428 2.719 -5.432 1.00 0.11 C ATOM 0 H PHE A 79 -2.017 -1.604 -7.426 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.584 -2.028 -4.897 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.428 -1.479 -7.788 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.548 -1.844 -6.490 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.718 0.470 -7.342 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.346 -0.082 -5.104 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.621 2.842 -6.611 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.246 2.283 -4.354 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.386 3.749 -5.108 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.876 -4.444 -5.301 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.004 -5.915 -5.502 1.00 0.08 C ATOM 1216 C PHE A 80 -5.374 -6.354 -4.994 1.00 0.11 C ATOM 1217 O PHE A 80 -5.998 -5.684 -4.195 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.914 -6.641 -4.709 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.565 -6.396 -5.347 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.183 -7.127 -6.487 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.686 -5.444 -4.799 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.077 -6.906 -7.076 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.571 -5.224 -5.387 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.953 -5.954 -6.524 1.00 0.14 C ATOM 0 H PHE A 80 -4.047 -4.128 -4.346 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.897 -6.157 -6.559 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.907 -6.290 -3.677 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.124 -7.710 -4.680 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.856 -7.858 -6.910 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.978 -4.881 -3.925 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.370 -7.467 -7.951 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.244 -4.493 -4.964 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.920 -5.784 -6.975 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.847 -7.472 -5.454 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.177 -7.964 -5.010 1.00 0.14 C ATOM 1236 C LYS A 81 -7.192 -9.482 -5.175 1.00 0.14 C ATOM 1237 O LYS A 81 -6.930 -9.996 -6.242 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.266 -7.316 -5.882 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.627 -7.368 -5.176 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.621 -6.469 -5.921 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.957 -6.461 -5.178 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.534 -7.836 -5.176 1.00 1.48 N ATOM 0 H LYS A 81 -5.367 -8.072 -6.124 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.367 -7.705 -3.968 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.000 -6.281 -6.095 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.327 -7.833 -6.840 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.996 -8.393 -5.149 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.526 -7.038 -4.142 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.227 -5.455 -5.994 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.761 -6.830 -6.940 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.814 -6.114 -4.155 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.647 -5.766 -5.657 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.542 -7.790 -5.429 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.029 -8.425 -5.869 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.434 -8.253 -4.229 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.478 -10.201 -4.124 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.495 -11.689 -4.212 1.00 0.20 C ATOM 1258 C LYS A 82 -6.140 -12.200 -4.720 1.00 0.20 C ATOM 1259 O LYS A 82 -6.039 -13.292 -5.243 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.605 -12.139 -5.175 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.971 -12.051 -4.483 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.048 -12.692 -5.369 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.061 -12.030 -6.753 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.376 -12.281 -7.408 1.00 1.67 N ATOM 0 H LYS A 82 -7.702 -9.820 -3.204 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.685 -12.100 -3.220 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.599 -11.512 -6.067 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.420 -13.162 -5.503 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.933 -12.557 -3.518 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.222 -11.009 -4.287 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.857 -13.760 -5.471 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.026 -12.587 -4.899 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.888 -10.958 -6.657 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.254 -12.429 -7.367 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.387 -11.833 -8.347 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.522 -13.305 -7.511 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.137 -11.880 -6.824 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.096 -11.431 -4.560 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.751 -11.890 -5.022 1.00 0.21 C ATOM 1280 C GLY A 83 -3.526 -11.487 -6.484 1.00 0.19 C ATOM 1281 O GLY A 83 -2.529 -11.844 -7.081 1.00 0.22 O ATOM 0 H GLY A 83 -5.115 -10.506 -4.130 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.974 -11.454 -4.394 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.673 -12.972 -4.920 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.445 -10.756 -7.066 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.291 -10.332 -8.498 1.00 0.17 C ATOM 1287 C GLN A 84 -4.081 -8.815 -8.570 1.00 0.16 C ATOM 1288 O GLN A 84 -4.591 -8.069 -7.761 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.559 -10.695 -9.273 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.902 -12.170 -9.043 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.273 -12.475 -9.648 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.379 -13.238 -10.587 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.334 -11.908 -9.145 1.00 2.08 N ATOM 0 H GLN A 84 -5.299 -10.432 -6.612 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.430 -10.841 -8.932 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.387 -10.065 -8.949 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.413 -10.508 -10.337 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.142 -12.806 -9.497 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.906 -12.391 -7.976 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.245 -11.267 -8.356 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.253 -12.105 -9.540 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.336 -8.353 -9.545 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.094 -6.884 -9.682 1.00 0.17 C ATOM 1304 C LYS A 85 -4.237 -6.251 -10.479 1.00 0.16 C ATOM 1305 O LYS A 85 -4.741 -6.835 -11.419 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.772 -6.646 -10.421 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.524 -5.133 -10.561 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.037 -4.854 -10.822 1.00 0.30 C ATOM 1309 CE LYS A 85 0.361 -5.379 -12.207 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.425 -6.867 -12.181 1.00 1.70 N ATOM 0 H LYS A 85 -2.884 -8.932 -10.253 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.044 -6.434 -8.691 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.950 -7.111 -9.876 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.805 -7.112 -11.406 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.124 -4.734 -11.379 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.842 -4.621 -9.653 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.157 -3.783 -10.761 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.571 -5.332 -10.054 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.362 -5.050 -12.953 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.328 -4.969 -12.498 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.233 -7.190 -12.750 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.540 -7.192 -11.200 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.454 -7.259 -12.575 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.654 -5.064 -10.104 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.775 -4.383 -10.829 1.00 0.16 C ATOM 1326 C VAL A 86 -5.343 -2.980 -11.276 1.00 0.18 C ATOM 1327 O VAL A 86 -5.943 -2.396 -12.156 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.983 -4.271 -9.896 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.533 -5.667 -9.605 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.559 -3.608 -8.583 1.00 0.17 C ATOM 0 H VAL A 86 -4.264 -4.536 -9.324 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.039 -4.968 -11.710 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.754 -3.667 -10.375 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.393 -5.588 -8.940 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.838 -6.140 -10.539 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.761 -6.270 -9.128 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.421 -3.529 -7.920 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.787 -4.210 -8.104 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.167 -2.612 -8.788 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.315 -2.428 -10.685 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.874 -1.062 -11.102 1.00 0.18 C ATOM 1342 C GLY A 87 -2.686 -0.604 -10.252 1.00 0.10 C ATOM 1343 O GLY A 87 -2.283 -1.269 -9.319 1.00 0.08 O ATOM 0 H GLY A 87 -3.767 -2.858 -9.940 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.595 -1.069 -12.156 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.699 -0.358 -10.995 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.123 0.536 -10.568 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.962 1.042 -9.780 1.00 0.10 C ATOM 1349 C GLU A 88 -0.592 2.453 -10.240 1.00 0.10 C ATOM 1350 O GLU A 88 -0.848 2.839 -11.362 1.00 0.11 O ATOM 1351 CB GLU A 88 0.240 0.115 -9.982 1.00 0.17 C ATOM 1352 CG GLU A 88 0.451 -0.135 -11.476 1.00 0.25 C ATOM 1353 CD GLU A 88 1.661 -1.048 -11.672 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.665 -0.816 -11.020 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.564 -1.966 -12.470 1.00 2.04 O ATOM 0 H GLU A 88 -2.419 1.136 -11.338 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.235 1.066 -8.725 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.134 0.563 -9.548 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.074 -0.830 -9.465 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.438 -0.594 -11.908 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.607 0.810 -11.996 1.00 0.25 H new ATOM 1362 N PHE A 89 0.028 3.218 -9.380 1.00 0.09 N ATOM 1363 CA PHE A 89 0.437 4.597 -9.767 1.00 0.09 C ATOM 1364 C PHE A 89 1.370 5.183 -8.703 1.00 0.09 C ATOM 1365 O PHE A 89 1.118 5.086 -7.523 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.800 5.495 -9.965 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.384 5.946 -8.636 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.732 6.934 -7.869 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.598 5.395 -8.176 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.288 7.361 -6.650 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.150 5.826 -6.957 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.497 6.808 -6.194 1.00 0.11 C ATOM 0 H PHE A 89 0.268 2.946 -8.427 1.00 0.09 H new ATOM 0 HA PHE A 89 0.974 4.552 -10.715 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.525 6.368 -10.557 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.558 4.952 -10.530 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.195 7.363 -8.218 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.104 4.641 -8.761 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.785 8.115 -6.063 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.079 5.401 -6.606 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.923 7.138 -5.258 1.00 0.11 H new ATOM 1382 N SER A 90 2.446 5.800 -9.122 1.00 0.13 N ATOM 1383 CA SER A 90 3.407 6.414 -8.153 1.00 0.14 C ATOM 1384 C SER A 90 3.271 7.938 -8.220 1.00 0.14 C ATOM 1385 O SER A 90 2.348 8.460 -8.815 1.00 0.17 O ATOM 1386 CB SER A 90 4.831 6.017 -8.537 1.00 0.15 C ATOM 1387 OG SER A 90 5.286 6.858 -9.589 1.00 0.16 O ATOM 0 H SER A 90 2.703 5.906 -10.103 1.00 0.13 H new ATOM 0 HA SER A 90 3.191 6.066 -7.143 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.491 6.106 -7.674 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.857 4.974 -8.853 1.00 0.15 H new ATOM 0 HG SER A 90 5.847 7.571 -9.218 1.00 0.16 H new ATOM 1393 N GLY A 91 4.182 8.655 -7.620 1.00 0.12 N ATOM 1394 CA GLY A 91 4.103 10.147 -7.652 1.00 0.13 C ATOM 1395 C GLY A 91 3.259 10.633 -6.474 1.00 0.13 C ATOM 1396 O GLY A 91 2.136 10.211 -6.287 1.00 0.13 O ATOM 0 H GLY A 91 4.978 8.274 -7.109 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.103 10.577 -7.600 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.662 10.479 -8.592 1.00 0.13 H new ATOM 1400 N ALA A 92 3.794 11.515 -5.675 1.00 0.15 N ATOM 1401 CA ALA A 92 3.026 12.021 -4.501 1.00 0.17 C ATOM 1402 C ALA A 92 1.622 12.457 -4.934 1.00 0.15 C ATOM 1403 O ALA A 92 1.406 13.595 -5.301 1.00 0.16 O ATOM 1404 CB ALA A 92 3.763 13.222 -3.892 1.00 0.20 C ATOM 0 H ALA A 92 4.729 11.907 -5.784 1.00 0.15 H new ATOM 0 HA ALA A 92 2.939 11.223 -3.763 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.204 13.595 -3.033 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.758 12.914 -3.571 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.851 14.012 -4.638 1.00 0.20 H new ATOM 1410 N ASN A 93 0.661 11.571 -4.862 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.738 11.944 -5.232 1.00 0.13 C ATOM 1412 C ASN A 93 -1.685 11.325 -4.200 1.00 0.12 C ATOM 1413 O ASN A 93 -2.380 10.362 -4.458 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.069 11.431 -6.638 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.225 12.252 -7.208 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.174 12.553 -6.509 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.177 12.648 -8.447 1.00 1.15 N ATOM 0 H ASN A 93 0.785 10.604 -4.562 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.850 13.028 -5.237 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.195 11.513 -7.284 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.340 10.376 -6.600 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.935 13.211 -8.832 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.381 12.395 -9.033 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.685 11.877 -3.024 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.544 11.355 -1.919 1.00 0.20 C ATOM 1426 C LYS A 94 -4.025 11.472 -2.283 1.00 0.18 C ATOM 1427 O LYS A 94 -4.824 10.621 -1.947 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.262 12.172 -0.654 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.079 13.648 -1.039 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.034 14.527 0.213 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.703 14.337 0.951 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.430 14.503 -0.003 1.00 1.19 N ATOM 0 H LYS A 94 -1.116 12.685 -2.772 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.315 10.303 -1.752 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.085 12.067 0.053 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.366 11.799 -0.157 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.158 13.770 -1.609 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.898 13.966 -1.684 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.157 15.574 -0.065 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.863 14.273 0.874 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.618 15.062 1.760 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.666 13.347 1.405 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.313 14.644 0.528 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.514 13.651 -0.594 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.255 15.329 -0.610 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.406 12.523 -2.949 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.839 12.688 -3.306 1.00 0.20 C ATOM 1448 C GLU A 95 -6.252 11.591 -4.292 1.00 0.17 C ATOM 1449 O GLU A 95 -7.398 11.189 -4.343 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.032 14.062 -3.952 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.903 15.168 -2.890 1.00 0.33 C ATOM 1452 CD GLU A 95 -7.232 15.348 -2.148 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.677 14.399 -1.526 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -7.779 16.436 -2.213 1.00 1.95 O ATOM 0 H GLU A 95 -3.789 13.273 -3.261 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.456 12.612 -2.411 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.290 14.211 -4.736 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.012 14.115 -4.427 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -5.115 14.912 -2.182 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.613 16.106 -3.364 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.329 11.099 -5.073 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.671 10.027 -6.050 1.00 0.14 C ATOM 1463 C LYS A 96 -6.009 8.741 -5.295 1.00 0.12 C ATOM 1464 O LYS A 96 -6.851 7.978 -5.716 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.494 9.787 -6.998 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.890 8.767 -8.067 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.749 8.599 -9.078 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.272 7.905 -10.338 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.188 8.824 -11.069 1.00 2.05 N ATOM 0 H LYS A 96 -4.352 11.393 -5.076 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.535 10.336 -6.639 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.197 10.724 -7.469 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.632 9.425 -6.438 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.118 7.809 -7.601 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.795 9.096 -8.578 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.332 9.573 -9.335 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.943 8.013 -8.637 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.439 7.618 -10.980 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.798 6.989 -10.069 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.823 8.987 -12.029 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -6.135 8.397 -11.126 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.247 9.731 -10.563 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.379 8.493 -4.173 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.707 7.253 -3.408 1.00 0.11 C ATOM 1485 C LEU A 97 -7.221 7.200 -3.211 1.00 0.11 C ATOM 1486 O LEU A 97 -7.837 6.154 -3.276 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.029 7.288 -2.030 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.535 6.962 -2.158 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.851 7.283 -0.822 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.329 5.468 -2.523 1.00 0.13 C ATOM 0 H LEU A 97 -4.661 9.088 -3.759 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.355 6.379 -3.956 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.155 8.273 -1.581 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.508 6.570 -1.364 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.097 7.562 -2.955 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.787 7.057 -0.894 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.983 8.340 -0.591 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.297 6.680 -0.031 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.263 5.258 -2.609 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.761 4.840 -1.744 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.818 5.255 -3.473 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.821 8.334 -2.976 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.296 8.376 -2.777 1.00 0.14 C ATOM 1504 C GLU A 98 -9.985 7.992 -4.087 1.00 0.13 C ATOM 1505 O GLU A 98 -10.823 7.112 -4.130 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.709 9.799 -2.379 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.220 9.859 -2.127 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.624 11.297 -1.792 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.775 12.036 -1.323 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.775 11.635 -2.014 1.00 2.05 O ATOM 0 H GLU A 98 -7.351 9.237 -2.913 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.587 7.679 -1.991 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.171 10.105 -1.482 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.436 10.499 -3.169 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.761 9.514 -3.008 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.490 9.194 -1.307 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.643 8.661 -5.152 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.277 8.361 -6.466 1.00 0.14 C ATOM 1519 C ALA A 99 -10.025 6.903 -6.862 1.00 0.12 C ATOM 1520 O ALA A 99 -10.918 6.221 -7.312 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.687 9.286 -7.531 1.00 0.15 C ATOM 0 H ALA A 99 -8.948 9.407 -5.169 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.352 8.521 -6.386 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.147 9.071 -8.495 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -9.881 10.324 -7.260 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.611 9.124 -7.598 1.00 0.15 H new ATOM 1527 N THR A 100 -8.817 6.427 -6.719 1.00 0.11 N ATOM 1528 CA THR A 100 -8.514 5.020 -7.119 1.00 0.11 C ATOM 1529 C THR A 100 -9.253 4.036 -6.211 1.00 0.10 C ATOM 1530 O THR A 100 -9.864 3.093 -6.674 1.00 0.11 O ATOM 1531 CB THR A 100 -7.008 4.769 -7.014 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.311 5.805 -7.687 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.664 3.421 -7.653 1.00 0.12 C ATOM 0 H THR A 100 -8.027 6.951 -6.343 1.00 0.11 H new ATOM 0 HA THR A 100 -8.843 4.871 -8.147 1.00 0.11 H new ATOM 0 HB THR A 100 -6.715 4.754 -5.964 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.346 5.682 -7.567 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.591 3.245 -7.577 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.200 2.626 -7.135 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.956 3.431 -8.703 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.202 4.238 -4.926 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.905 3.300 -4.004 1.00 0.11 C ATOM 1543 C ILE A 101 -11.403 3.332 -4.314 1.00 0.13 C ATOM 1544 O ILE A 101 -12.024 2.309 -4.511 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.655 3.726 -2.546 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.184 3.440 -2.175 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.591 2.942 -1.610 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.762 4.259 -0.946 1.00 0.18 C ATOM 0 H ILE A 101 -8.707 5.007 -4.474 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.527 2.287 -4.142 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.855 4.792 -2.438 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.056 2.377 -1.971 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.538 3.683 -3.019 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.412 3.246 -0.579 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.628 3.150 -1.875 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.397 1.874 -1.713 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.722 4.041 -0.703 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.869 5.322 -1.163 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.395 3.996 -0.099 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.988 4.498 -4.366 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.445 4.585 -4.662 1.00 0.17 C ATOM 1562 C ASN A 102 -13.723 3.993 -6.049 1.00 0.18 C ATOM 1563 O ASN A 102 -14.846 3.672 -6.383 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.883 6.056 -4.627 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.402 6.144 -4.449 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.950 5.580 -3.523 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.108 6.833 -5.302 1.00 1.03 N ATOM 0 H ASN A 102 -11.520 5.392 -4.216 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.005 4.023 -3.915 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.382 6.574 -3.810 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.587 6.555 -5.550 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.120 6.898 -5.192 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.648 7.307 -6.080 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.710 3.859 -6.861 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.911 3.296 -8.230 1.00 0.18 C ATOM 1576 C GLU A 103 -13.044 1.771 -8.157 1.00 0.19 C ATOM 1577 O GLU A 103 -14.051 1.203 -8.532 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.703 3.657 -9.107 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.082 3.555 -10.588 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.899 4.002 -11.450 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.152 4.855 -10.998 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.761 3.485 -12.546 1.00 2.02 O ATOM 0 H GLU A 103 -11.749 4.115 -6.636 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.822 3.714 -8.659 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.366 4.668 -8.878 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.871 2.987 -8.889 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.358 2.530 -10.834 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.952 4.178 -10.795 1.00 0.22 H new ATOM 1589 N LEU A 104 -12.015 1.108 -7.701 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.035 -0.383 -7.622 1.00 0.19 C ATOM 1591 C LEU A 104 -12.565 -0.837 -6.259 1.00 0.19 C ATOM 1592 O LEU A 104 -12.317 -1.946 -5.828 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.609 -0.902 -7.825 1.00 0.17 C ATOM 1594 CG LEU A 104 -10.044 -0.380 -9.154 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.558 -0.744 -9.245 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.807 -1.002 -10.338 1.00 0.35 C ATOM 0 H LEU A 104 -11.151 1.541 -7.376 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.692 -0.781 -8.395 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.975 -0.580 -6.999 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.606 -1.992 -7.822 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.161 0.703 -9.195 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.150 -0.376 -10.187 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.020 -0.288 -8.414 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.445 -1.827 -9.199 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.397 -0.624 -11.274 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.703 -2.087 -10.308 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.862 -0.737 -10.271 1.00 0.35 H new ATOM 1672 N PHE B 3 19.559 2.572 1.592 1.00 0.00 N ATOM 1673 CA PHE B 3 19.372 3.507 0.431 1.00 0.00 C ATOM 1674 C PHE B 3 19.065 2.702 -0.839 1.00 0.00 C ATOM 1675 O PHE B 3 19.526 1.590 -1.006 1.00 0.00 O ATOM 1676 CB PHE B 3 20.661 4.316 0.226 1.00 0.00 C ATOM 1677 CG PHE B 3 20.704 5.458 1.219 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.984 5.202 2.573 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.460 6.776 0.791 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.022 6.262 3.497 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.498 7.835 1.714 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.780 7.579 3.068 1.00 0.00 C ATOM 0 HA PHE B 3 18.541 4.182 0.636 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.531 3.673 0.357 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.702 4.704 -0.792 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.170 4.191 2.904 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.243 6.974 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.237 6.064 4.537 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.311 8.846 1.384 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.811 8.393 3.777 1.00 0.00 H new ATOM 1692 N ARG B 4 18.293 3.264 -1.737 1.00 0.00 N ATOM 1693 CA ARG B 4 17.950 2.547 -3.005 1.00 0.00 C ATOM 1694 C ARG B 4 17.868 3.562 -4.156 1.00 0.00 C ATOM 1695 O ARG B 4 18.879 4.037 -4.637 1.00 0.00 O ATOM 1696 CB ARG B 4 16.600 1.827 -2.834 1.00 0.00 C ATOM 1697 CG ARG B 4 16.825 0.429 -2.236 1.00 0.00 C ATOM 1698 CD ARG B 4 17.460 -0.517 -3.280 1.00 0.00 C ATOM 1699 NE ARG B 4 16.571 -1.696 -3.483 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.735 -2.467 -4.524 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.669 -2.196 -5.396 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.963 -3.506 -4.696 1.00 0.00 N ATOM 0 H ARG B 4 17.884 4.194 -1.646 1.00 0.00 H new ATOM 0 HA ARG B 4 18.719 1.810 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.947 2.409 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.098 1.743 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.473 0.502 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.875 0.017 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.606 0.009 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.444 -0.843 -2.941 1.00 0.00 H new ATOM 0 HE ARG B 4 15.834 -1.901 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.270 -1.382 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.798 -2.798 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.231 -3.716 -4.017 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.092 -4.108 -5.509 1.00 0.00 H new ATOM 1716 N TYR B 5 16.676 3.897 -4.607 1.00 0.00 N ATOM 1717 CA TYR B 5 16.532 4.878 -5.735 1.00 0.00 C ATOM 1718 C TYR B 5 15.947 6.203 -5.222 1.00 0.00 C ATOM 1719 O TYR B 5 15.927 6.469 -4.037 1.00 0.00 O ATOM 1720 CB TYR B 5 15.644 4.280 -6.844 1.00 0.00 C ATOM 1721 CG TYR B 5 14.501 3.488 -6.256 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.677 2.135 -5.917 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.250 4.097 -6.082 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.602 1.395 -5.393 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.175 3.357 -5.567 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.349 2.008 -5.218 1.00 0.00 C ATOM 1727 OH TYR B 5 11.290 1.284 -4.711 1.00 0.00 O ATOM 0 H TYR B 5 15.797 3.532 -4.241 1.00 0.00 H new ATOM 0 HA TYR B 5 17.517 5.083 -6.153 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.251 5.080 -7.471 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.244 3.636 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.638 1.664 -6.059 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.114 5.136 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.739 0.358 -5.126 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.211 3.826 -5.439 1.00 0.00 H new ATOM 0 HH TYR B 5 11.579 0.366 -4.528 1.00 0.00 H new ATOM 1737 N VAL B 6 15.526 7.058 -6.119 1.00 0.00 N ATOM 1738 CA VAL B 6 15.004 8.398 -5.712 1.00 0.00 C ATOM 1739 C VAL B 6 13.570 8.327 -5.180 1.00 0.00 C ATOM 1740 O VAL B 6 12.770 7.508 -5.595 1.00 0.00 O ATOM 1741 CB VAL B 6 15.018 9.329 -6.930 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.958 10.784 -6.468 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.297 9.099 -7.731 1.00 0.00 C ATOM 0 H VAL B 6 15.522 6.884 -7.124 1.00 0.00 H new ATOM 0 HA VAL B 6 15.646 8.771 -4.914 1.00 0.00 H new ATOM 0 HB VAL B 6 14.152 9.116 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.968 11.442 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.043 10.948 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.820 11.002 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.308 9.761 -8.597 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.163 9.310 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.335 8.062 -8.066 1.00 0.00 H new ATOM 1753 N CYS B 7 13.237 9.233 -4.293 1.00 0.00 N ATOM 1754 CA CYS B 7 11.852 9.301 -3.746 1.00 0.00 C ATOM 1755 C CYS B 7 11.114 10.435 -4.462 1.00 0.00 C ATOM 1756 O CYS B 7 11.244 11.589 -4.105 1.00 0.00 O ATOM 1757 CB CYS B 7 11.891 9.589 -2.238 1.00 0.00 C ATOM 1758 SG CYS B 7 13.238 8.665 -1.461 1.00 0.00 S ATOM 0 H CYS B 7 13.877 9.936 -3.922 1.00 0.00 H new ATOM 0 HA CYS B 7 11.343 8.350 -3.905 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.027 10.657 -2.068 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.940 9.312 -1.783 1.00 0.00 H new ATOM 1763 N GLU B 8 10.359 10.125 -5.479 1.00 0.00 N ATOM 1764 CA GLU B 8 9.642 11.204 -6.218 1.00 0.00 C ATOM 1765 C GLU B 8 8.336 11.554 -5.506 1.00 0.00 C ATOM 1766 O GLU B 8 7.303 11.742 -6.122 1.00 0.00 O ATOM 1767 CB GLU B 8 9.348 10.744 -7.650 1.00 0.00 C ATOM 1768 CG GLU B 8 8.893 9.278 -7.645 1.00 0.00 C ATOM 1769 CD GLU B 8 8.097 8.982 -8.921 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.720 8.731 -9.939 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.879 9.011 -8.856 1.00 0.00 O ATOM 0 H GLU B 8 10.207 9.179 -5.829 1.00 0.00 H new ATOM 0 HA GLU B 8 10.274 12.092 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.574 11.372 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.240 10.855 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.759 8.618 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.278 9.081 -6.767 1.00 0.00 H new ATOM 1778 N GLY B 9 8.382 11.688 -4.213 1.00 0.00 N ATOM 1779 CA GLY B 9 7.155 12.081 -3.473 1.00 0.00 C ATOM 1780 C GLY B 9 6.878 13.558 -3.808 1.00 0.00 C ATOM 1781 O GLY B 9 6.928 13.918 -4.969 1.00 0.00 O ATOM 0 H GLY B 9 9.212 11.543 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.312 11.455 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.293 11.949 -2.400 1.00 0.00 H new ATOM 1785 N PRO B 10 6.622 14.397 -2.820 1.00 0.00 N ATOM 1786 CA PRO B 10 6.389 15.829 -3.089 1.00 0.00 C ATOM 1787 C PRO B 10 7.694 16.463 -3.594 1.00 0.00 C ATOM 1788 O PRO B 10 7.914 17.651 -3.465 1.00 0.00 O ATOM 1789 CB PRO B 10 5.963 16.428 -1.729 1.00 0.00 C ATOM 1790 CG PRO B 10 6.066 15.297 -0.669 1.00 0.00 C ATOM 1791 CD PRO B 10 6.532 14.017 -1.395 1.00 0.00 C ATOM 0 HA PRO B 10 5.629 16.006 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.607 17.265 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.945 16.813 -1.782 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.772 15.571 0.115 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.102 15.135 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.496 13.677 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.825 13.200 -1.248 1.00 0.00 H new ATOM 1799 N SER B 11 8.562 15.668 -4.163 1.00 0.00 N ATOM 1800 CA SER B 11 9.856 16.198 -4.674 1.00 0.00 C ATOM 1801 C SER B 11 9.640 16.846 -6.042 1.00 0.00 C ATOM 1802 O SER B 11 10.376 17.725 -6.446 1.00 0.00 O ATOM 1803 CB SER B 11 10.858 15.045 -4.807 1.00 0.00 C ATOM 1804 OG SER B 11 12.116 15.560 -5.219 1.00 0.00 O ATOM 0 H SER B 11 8.426 14.666 -4.296 1.00 0.00 H new ATOM 0 HA SER B 11 10.245 16.943 -3.979 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.960 14.525 -3.854 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.496 14.315 -5.532 1.00 0.00 H new ATOM 0 HG SER B 11 12.759 14.825 -5.303 1.00 0.00 H new