USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc=-0.00473 USER MOD Set 1.2: A 61 MET CE :methyl 173:sc= 0 (180deg=-0.0496) USER MOD Single : A 11 SER OG : rot 16:sc= 1.63 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 19 TYR OH : rot 30:sc= 0.629 USER MOD Single : A 21 THR OG1 : rot 72:sc= 1.13 USER MOD Single : A 24 ASN : amide:sc= -0.443 K(o=-0.44,f=-4.6!) USER MOD Single : A 37 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 46 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.5) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.653 (180deg=-0.7!) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -0.194 (180deg=-1.68!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0.501! (180deg=0.227!) USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.961) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 85 MET CE :methyl 150:sc= -1.18 (180deg=-3.17!) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 2.03 (180deg=1.93) USER MOD Single : A 94 LYS NZ :NH3+ 137:sc= 2.61 (180deg=-0.538) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= 1.45 (180deg=1.08) USER MOD Single : A 112 LYS NZ :NH3+ -175:sc= 1.6 (180deg=1.31) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.963 -2.916 -1.582 1.00 1.63 N ATOM 56 CA GLU A 5 10.936 -3.936 -1.876 1.00 1.01 C ATOM 57 C GLU A 5 9.771 -3.778 -0.867 1.00 0.85 C ATOM 58 O GLU A 5 9.582 -2.678 -0.343 1.00 1.17 O ATOM 59 CB GLU A 5 11.569 -5.346 -1.921 1.00 2.19 C ATOM 60 CG GLU A 5 10.832 -6.329 -2.856 1.00 3.70 C ATOM 61 CD GLU A 5 10.103 -7.431 -2.093 1.00 4.98 C ATOM 62 OE1 GLU A 5 10.788 -8.396 -1.694 1.00 5.50 O ATOM 63 OE2 GLU A 5 8.880 -7.272 -1.875 1.00 6.15 O ATOM 0 HA GLU A 5 10.510 -3.792 -2.869 1.00 1.01 H new ATOM 0 HB2 GLU A 5 12.606 -5.259 -2.245 1.00 2.19 H new ATOM 0 HB3 GLU A 5 11.584 -5.760 -0.913 1.00 2.19 H new ATOM 0 HG2 GLU A 5 10.115 -5.778 -3.464 1.00 3.70 H new ATOM 0 HG3 GLU A 5 11.550 -6.780 -3.541 1.00 3.70 H new ATOM 70 N GLY A 6 8.932 -4.788 -0.613 1.00 0.87 N ATOM 71 CA GLY A 6 7.736 -4.665 0.227 1.00 0.84 C ATOM 72 C GLY A 6 7.610 -5.659 1.372 1.00 0.76 C ATOM 73 O GLY A 6 8.464 -6.507 1.608 1.00 1.02 O ATOM 0 H GLY A 6 9.066 -5.726 -0.990 1.00 0.87 H new ATOM 0 HA2 GLY A 6 7.713 -3.658 0.644 1.00 0.84 H new ATOM 0 HA3 GLY A 6 6.858 -4.766 -0.411 1.00 0.84 H new ATOM 77 N TRP A 7 6.494 -5.527 2.091 1.00 0.73 N ATOM 78 CA TRP A 7 6.017 -6.539 3.024 1.00 0.72 C ATOM 79 C TRP A 7 4.532 -6.368 3.333 1.00 0.73 C ATOM 80 O TRP A 7 4.046 -5.266 3.599 1.00 0.73 O ATOM 81 CB TRP A 7 6.844 -6.599 4.321 1.00 0.85 C ATOM 82 CG TRP A 7 6.721 -5.479 5.312 1.00 0.98 C ATOM 83 CD1 TRP A 7 6.193 -5.619 6.550 1.00 1.10 C ATOM 84 CD2 TRP A 7 7.120 -4.073 5.212 1.00 1.14 C ATOM 85 NE1 TRP A 7 6.239 -4.418 7.220 1.00 1.26 N ATOM 86 CE2 TRP A 7 6.774 -3.420 6.436 1.00 1.31 C ATOM 87 CE3 TRP A 7 7.729 -3.270 4.222 1.00 1.27 C ATOM 88 CZ2 TRP A 7 6.978 -2.048 6.647 1.00 1.56 C ATOM 89 CZ3 TRP A 7 7.931 -1.891 4.419 1.00 1.56 C ATOM 90 CH2 TRP A 7 7.549 -1.275 5.624 1.00 1.69 C ATOM 0 H TRP A 7 5.893 -4.705 2.039 1.00 0.73 H new ATOM 0 HA TRP A 7 6.152 -7.496 2.520 1.00 0.72 H new ATOM 0 HB2 TRP A 7 6.584 -7.524 4.835 1.00 0.85 H new ATOM 0 HB3 TRP A 7 7.894 -6.676 4.039 1.00 0.85 H new ATOM 0 HD1 TRP A 7 5.794 -6.538 6.953 1.00 1.10 H new ATOM 0 HE1 TRP A 7 5.917 -4.284 8.178 1.00 1.26 H new ATOM 0 HE3 TRP A 7 8.046 -3.724 3.295 1.00 1.27 H new ATOM 0 HZ2 TRP A 7 6.699 -1.592 7.585 1.00 1.56 H new ATOM 0 HZ3 TRP A 7 8.384 -1.300 3.637 1.00 1.56 H new ATOM 0 HH2 TRP A 7 7.694 -0.214 5.761 1.00 1.69 H new ATOM 101 N VAL A 8 3.815 -7.488 3.379 1.00 0.94 N ATOM 102 CA VAL A 8 2.428 -7.515 3.847 1.00 1.07 C ATOM 103 C VAL A 8 2.411 -7.861 5.333 1.00 1.21 C ATOM 104 O VAL A 8 2.944 -8.882 5.772 1.00 1.43 O ATOM 105 CB VAL A 8 1.531 -8.427 2.990 1.00 1.19 C ATOM 106 CG1 VAL A 8 0.098 -8.495 3.551 1.00 1.35 C ATOM 107 CG2 VAL A 8 1.485 -7.833 1.570 1.00 1.12 C ATOM 0 H VAL A 8 4.175 -8.399 3.095 1.00 0.94 H new ATOM 0 HA VAL A 8 1.990 -6.524 3.726 1.00 1.07 H new ATOM 0 HB VAL A 8 1.940 -9.438 2.991 1.00 1.19 H new ATOM 0 HG11 VAL A 8 -0.508 -9.147 2.922 1.00 1.35 H new ATOM 0 HG12 VAL A 8 0.123 -8.891 4.566 1.00 1.35 H new ATOM 0 HG13 VAL A 8 -0.336 -7.495 3.562 1.00 1.35 H new ATOM 0 HG21 VAL A 8 0.856 -8.457 0.935 1.00 1.12 H new ATOM 0 HG22 VAL A 8 1.073 -6.825 1.611 1.00 1.12 H new ATOM 0 HG23 VAL A 8 2.493 -7.797 1.158 1.00 1.12 H new ATOM 117 N ARG A 9 1.805 -6.949 6.096 1.00 1.14 N ATOM 118 CA ARG A 9 1.685 -7.001 7.549 1.00 1.32 C ATOM 119 C ARG A 9 0.889 -8.221 8.019 1.00 1.62 C ATOM 120 O ARG A 9 -0.339 -8.249 7.915 1.00 2.23 O ATOM 121 CB ARG A 9 1.018 -5.701 8.023 1.00 1.50 C ATOM 122 CG ARG A 9 0.627 -5.702 9.510 1.00 2.02 C ATOM 123 CD ARG A 9 -0.013 -4.375 9.923 1.00 2.35 C ATOM 124 NE ARG A 9 0.996 -3.340 10.183 1.00 2.53 N ATOM 125 CZ ARG A 9 1.724 -3.271 11.293 1.00 2.88 C ATOM 126 NH1 ARG A 9 1.533 -4.079 12.313 1.00 3.11 N ATOM 127 NH2 ARG A 9 2.691 -2.394 11.386 1.00 4.08 N ATOM 0 H ARG A 9 1.366 -6.119 5.698 1.00 1.14 H new ATOM 0 HA ARG A 9 2.680 -7.098 7.983 1.00 1.32 H new ATOM 0 HB2 ARG A 9 1.697 -4.868 7.837 1.00 1.50 H new ATOM 0 HB3 ARG A 9 0.125 -5.524 7.424 1.00 1.50 H new ATOM 0 HG2 ARG A 9 -0.069 -6.518 9.704 1.00 2.02 H new ATOM 0 HG3 ARG A 9 1.512 -5.886 10.120 1.00 2.02 H new ATOM 0 HD2 ARG A 9 -0.687 -4.036 9.136 1.00 2.35 H new ATOM 0 HD3 ARG A 9 -0.618 -4.526 10.817 1.00 2.35 H new ATOM 0 HE ARG A 9 1.148 -2.630 9.467 1.00 2.53 H new ATOM 0 HH11 ARG A 9 0.804 -4.791 12.270 1.00 3.11 H new ATOM 0 HH12 ARG A 9 2.114 -3.993 13.147 1.00 3.11 H new ATOM 0 HH21 ARG A 9 2.885 -1.764 10.607 1.00 4.08 H new ATOM 0 HH22 ARG A 9 3.250 -2.340 12.237 1.00 4.08 H new ATOM 141 N PHE A 10 1.583 -9.147 8.682 1.00 1.48 N ATOM 142 CA PHE A 10 0.976 -10.005 9.695 1.00 1.46 C ATOM 143 C PHE A 10 0.635 -9.168 10.940 1.00 1.24 C ATOM 144 O PHE A 10 1.454 -8.392 11.438 1.00 1.62 O ATOM 145 CB PHE A 10 1.937 -11.160 10.031 1.00 1.88 C ATOM 146 CG PHE A 10 1.673 -11.849 11.362 1.00 1.91 C ATOM 147 CD1 PHE A 10 0.371 -12.249 11.729 1.00 2.63 C ATOM 148 CD2 PHE A 10 2.733 -12.049 12.262 1.00 2.44 C ATOM 149 CE1 PHE A 10 0.128 -12.793 13.001 1.00 2.61 C ATOM 150 CE2 PHE A 10 2.498 -12.625 13.523 1.00 2.57 C ATOM 151 CZ PHE A 10 1.191 -12.980 13.899 1.00 2.04 C ATOM 0 H PHE A 10 2.577 -9.321 8.532 1.00 1.48 H new ATOM 0 HA PHE A 10 0.049 -10.437 9.317 1.00 1.46 H new ATOM 0 HB2 PHE A 10 1.879 -11.904 9.236 1.00 1.88 H new ATOM 0 HB3 PHE A 10 2.957 -10.775 10.034 1.00 1.88 H new ATOM 0 HD1 PHE A 10 -0.443 -12.136 11.028 1.00 2.63 H new ATOM 0 HD2 PHE A 10 3.735 -11.758 11.983 1.00 2.44 H new ATOM 0 HE1 PHE A 10 -0.876 -13.067 13.288 1.00 2.61 H new ATOM 0 HE2 PHE A 10 3.321 -12.794 14.202 1.00 2.57 H new ATOM 0 HZ PHE A 10 1.005 -13.396 14.878 1.00 2.04 H new ATOM 161 N SER A 11 -0.571 -9.331 11.478 1.00 1.01 N ATOM 162 CA SER A 11 -1.004 -8.805 12.765 1.00 1.11 C ATOM 163 C SER A 11 -2.223 -9.602 13.278 1.00 1.17 C ATOM 164 O SER A 11 -3.016 -10.065 12.453 1.00 1.30 O ATOM 165 CB SER A 11 -1.347 -7.323 12.590 1.00 1.44 C ATOM 166 OG SER A 11 -0.163 -6.536 12.541 1.00 2.38 O ATOM 0 H SER A 11 -1.305 -9.858 11.005 1.00 1.01 H new ATOM 0 HA SER A 11 -0.209 -8.905 13.504 1.00 1.11 H new ATOM 0 HB2 SER A 11 -1.921 -7.183 11.674 1.00 1.44 H new ATOM 0 HB3 SER A 11 -1.977 -6.990 13.415 1.00 1.44 H new ATOM 0 HG SER A 11 0.608 -7.116 12.370 1.00 2.38 H new ATOM 172 N PRO A 12 -2.378 -9.797 14.605 1.00 1.40 N ATOM 173 CA PRO A 12 -3.461 -10.581 15.198 1.00 1.70 C ATOM 174 C PRO A 12 -4.708 -9.708 15.425 1.00 1.79 C ATOM 175 O PRO A 12 -5.079 -9.411 16.559 1.00 2.68 O ATOM 176 CB PRO A 12 -2.858 -11.141 16.495 1.00 2.04 C ATOM 177 CG PRO A 12 -1.951 -10.001 16.956 1.00 2.02 C ATOM 178 CD PRO A 12 -1.407 -9.445 15.638 1.00 1.61 C ATOM 0 HA PRO A 12 -3.814 -11.389 14.557 1.00 1.70 H new ATOM 0 HB2 PRO A 12 -3.626 -11.372 17.233 1.00 2.04 H new ATOM 0 HB3 PRO A 12 -2.298 -12.059 16.319 1.00 2.04 H new ATOM 0 HG2 PRO A 12 -2.503 -9.246 17.516 1.00 2.02 H new ATOM 0 HG3 PRO A 12 -1.151 -10.358 17.605 1.00 2.02 H new ATOM 0 HD2 PRO A 12 -1.278 -8.364 15.697 1.00 1.61 H new ATOM 0 HD3 PRO A 12 -0.429 -9.870 15.412 1.00 1.61 H new ATOM 186 N GLY A 13 -5.347 -9.264 14.336 1.00 1.24 N ATOM 187 CA GLY A 13 -6.540 -8.406 14.381 1.00 1.25 C ATOM 188 C GLY A 13 -7.472 -8.567 13.172 1.00 1.07 C ATOM 189 O GLY A 13 -7.147 -9.315 12.249 1.00 1.22 O ATOM 0 H GLY A 13 -5.048 -9.492 13.388 1.00 1.24 H new ATOM 0 HA2 GLY A 13 -7.100 -8.627 15.290 1.00 1.25 H new ATOM 0 HA3 GLY A 13 -6.224 -7.365 14.447 1.00 1.25 H new ATOM 193 N PRO A 14 -8.619 -7.861 13.148 1.00 1.05 N ATOM 194 CA PRO A 14 -9.585 -7.911 12.047 1.00 1.14 C ATOM 195 C PRO A 14 -9.137 -7.111 10.810 1.00 0.90 C ATOM 196 O PRO A 14 -9.771 -7.207 9.758 1.00 1.11 O ATOM 197 CB PRO A 14 -10.868 -7.325 12.643 1.00 1.41 C ATOM 198 CG PRO A 14 -10.344 -6.291 13.641 1.00 1.41 C ATOM 199 CD PRO A 14 -9.086 -6.959 14.195 1.00 1.27 C ATOM 0 HA PRO A 14 -9.707 -8.930 11.680 1.00 1.14 H new ATOM 0 HB2 PRO A 14 -11.495 -6.866 11.879 1.00 1.41 H new ATOM 0 HB3 PRO A 14 -11.471 -8.089 13.133 1.00 1.41 H new ATOM 0 HG2 PRO A 14 -10.117 -5.341 13.157 1.00 1.41 H new ATOM 0 HG3 PRO A 14 -11.071 -6.083 14.427 1.00 1.41 H new ATOM 0 HD2 PRO A 14 -8.325 -6.218 14.440 1.00 1.27 H new ATOM 0 HD3 PRO A 14 -9.305 -7.505 15.112 1.00 1.27 H new ATOM 207 N ASN A 15 -8.069 -6.316 10.938 1.00 0.68 N ATOM 208 CA ASN A 15 -7.565 -5.388 9.928 1.00 0.59 C ATOM 209 C ASN A 15 -6.027 -5.257 9.955 1.00 0.66 C ATOM 210 O ASN A 15 -5.367 -5.626 10.928 1.00 0.82 O ATOM 211 CB ASN A 15 -8.231 -4.017 10.145 1.00 0.75 C ATOM 212 CG ASN A 15 -7.700 -3.260 11.357 1.00 1.27 C ATOM 213 OD1 ASN A 15 -7.624 -3.771 12.467 1.00 2.02 O ATOM 214 ND2 ASN A 15 -7.311 -2.009 11.174 1.00 1.90 N ATOM 0 H ASN A 15 -7.508 -6.304 11.790 1.00 0.68 H new ATOM 0 HA ASN A 15 -7.818 -5.782 8.944 1.00 0.59 H new ATOM 0 HB2 ASN A 15 -8.084 -3.407 9.254 1.00 0.75 H new ATOM 0 HB3 ASN A 15 -9.306 -4.160 10.259 1.00 0.75 H new ATOM 0 HD21 ASN A 15 -6.947 -1.468 11.958 1.00 1.90 H new ATOM 0 HD22 ASN A 15 -7.375 -1.585 10.248 1.00 1.90 H new ATOM 221 N ALA A 16 -5.448 -4.671 8.899 1.00 0.72 N ATOM 222 CA ALA A 16 -4.008 -4.421 8.770 1.00 0.91 C ATOM 223 C ALA A 16 -3.704 -3.261 7.804 1.00 0.88 C ATOM 224 O ALA A 16 -4.465 -3.009 6.876 1.00 0.79 O ATOM 225 CB ALA A 16 -3.327 -5.722 8.309 1.00 1.30 C ATOM 0 H ALA A 16 -5.982 -4.350 8.091 1.00 0.72 H new ATOM 0 HA ALA A 16 -3.613 -4.118 9.740 1.00 0.91 H new ATOM 0 HB1 ALA A 16 -2.255 -5.555 8.207 1.00 1.30 H new ATOM 0 HB2 ALA A 16 -3.504 -6.506 9.045 1.00 1.30 H new ATOM 0 HB3 ALA A 16 -3.739 -6.027 7.347 1.00 1.30 H new ATOM 231 N ALA A 17 -2.566 -2.586 7.995 1.00 1.45 N ATOM 232 CA ALA A 17 -1.935 -1.720 6.995 1.00 1.37 C ATOM 233 C ALA A 17 -0.845 -2.504 6.244 1.00 1.36 C ATOM 234 O ALA A 17 0.104 -2.953 6.886 1.00 1.90 O ATOM 235 CB ALA A 17 -1.337 -0.499 7.711 1.00 1.52 C ATOM 0 H ALA A 17 -2.046 -2.628 8.871 1.00 1.45 H new ATOM 0 HA ALA A 17 -2.672 -1.382 6.266 1.00 1.37 H new ATOM 0 HB1 ALA A 17 -0.863 0.156 6.980 1.00 1.52 H new ATOM 0 HB2 ALA A 17 -2.129 0.045 8.226 1.00 1.52 H new ATOM 0 HB3 ALA A 17 -0.594 -0.830 8.436 1.00 1.52 H new ATOM 241 N ALA A 18 -0.967 -2.679 4.927 1.00 0.98 N ATOM 242 CA ALA A 18 0.019 -3.357 4.075 1.00 0.98 C ATOM 243 C ALA A 18 0.850 -2.361 3.249 1.00 0.76 C ATOM 244 O ALA A 18 0.424 -1.228 2.994 1.00 0.74 O ATOM 245 CB ALA A 18 -0.712 -4.379 3.193 1.00 1.20 C ATOM 0 H ALA A 18 -1.777 -2.344 4.406 1.00 0.98 H new ATOM 0 HA ALA A 18 0.738 -3.882 4.704 1.00 0.98 H new ATOM 0 HB1 ALA A 18 0.009 -4.890 2.555 1.00 1.20 H new ATOM 0 HB2 ALA A 18 -1.219 -5.108 3.825 1.00 1.20 H new ATOM 0 HB3 ALA A 18 -1.446 -3.865 2.572 1.00 1.20 H new ATOM 251 N TYR A 19 2.046 -2.802 2.835 1.00 0.82 N ATOM 252 CA TYR A 19 3.092 -1.964 2.237 1.00 0.87 C ATOM 253 C TYR A 19 3.809 -2.654 1.058 1.00 1.01 C ATOM 254 O TYR A 19 3.958 -3.876 1.019 1.00 1.15 O ATOM 255 CB TYR A 19 4.150 -1.601 3.301 1.00 0.86 C ATOM 256 CG TYR A 19 3.658 -1.457 4.731 1.00 0.78 C ATOM 257 CD1 TYR A 19 3.085 -0.253 5.182 1.00 1.76 C ATOM 258 CD2 TYR A 19 3.774 -2.547 5.616 1.00 1.89 C ATOM 259 CE1 TYR A 19 2.629 -0.144 6.511 1.00 1.84 C ATOM 260 CE2 TYR A 19 3.337 -2.445 6.947 1.00 1.85 C ATOM 261 CZ TYR A 19 2.753 -1.240 7.397 1.00 0.83 C ATOM 262 OH TYR A 19 2.314 -1.123 8.681 1.00 0.96 O ATOM 0 H TYR A 19 2.319 -3.782 2.910 1.00 0.82 H new ATOM 0 HA TYR A 19 2.594 -1.072 1.858 1.00 0.87 H new ATOM 0 HB2 TYR A 19 4.926 -2.366 3.284 1.00 0.86 H new ATOM 0 HB3 TYR A 19 4.620 -0.663 3.007 1.00 0.86 H new ATOM 0 HD1 TYR A 19 2.995 0.587 4.510 1.00 1.76 H new ATOM 0 HD2 TYR A 19 4.205 -3.474 5.266 1.00 1.89 H new ATOM 0 HE1 TYR A 19 2.184 0.778 6.854 1.00 1.84 H new ATOM 0 HE2 TYR A 19 3.447 -3.282 7.621 1.00 1.85 H new ATOM 0 HH TYR A 19 1.564 -0.493 8.714 1.00 0.96 H new ATOM 272 N LEU A 20 4.364 -1.842 0.149 1.00 0.96 N ATOM 273 CA LEU A 20 5.329 -2.260 -0.871 1.00 0.92 C ATOM 274 C LEU A 20 6.123 -1.088 -1.445 1.00 0.88 C ATOM 275 O LEU A 20 5.632 0.041 -1.479 1.00 0.87 O ATOM 276 CB LEU A 20 4.694 -3.116 -1.995 1.00 0.93 C ATOM 277 CG LEU A 20 3.985 -2.358 -3.138 1.00 1.12 C ATOM 278 CD1 LEU A 20 3.610 -3.328 -4.265 1.00 1.62 C ATOM 279 CD2 LEU A 20 2.731 -1.625 -2.653 1.00 1.37 C ATOM 0 H LEU A 20 4.146 -0.847 0.103 1.00 0.96 H new ATOM 0 HA LEU A 20 6.036 -2.904 -0.349 1.00 0.92 H new ATOM 0 HB2 LEU A 20 5.477 -3.734 -2.433 1.00 0.93 H new ATOM 0 HB3 LEU A 20 3.972 -3.793 -1.538 1.00 0.93 H new ATOM 0 HG LEU A 20 4.685 -1.611 -3.511 1.00 1.12 H new ATOM 0 HD11 LEU A 20 3.111 -2.781 -5.065 1.00 1.62 H new ATOM 0 HD12 LEU A 20 4.512 -3.798 -4.655 1.00 1.62 H new ATOM 0 HD13 LEU A 20 2.940 -4.095 -3.877 1.00 1.62 H new ATOM 0 HD21 LEU A 20 2.266 -1.106 -3.491 1.00 1.37 H new ATOM 0 HD22 LEU A 20 2.027 -2.345 -2.236 1.00 1.37 H new ATOM 0 HD23 LEU A 20 3.006 -0.901 -1.886 1.00 1.37 H new ATOM 291 N THR A 21 7.291 -1.394 -2.010 1.00 0.94 N ATOM 292 CA THR A 21 7.937 -0.543 -3.010 1.00 0.92 C ATOM 293 C THR A 21 7.174 -0.672 -4.308 1.00 0.96 C ATOM 294 O THR A 21 7.227 -1.707 -4.967 1.00 1.03 O ATOM 295 CB THR A 21 9.395 -0.925 -3.204 1.00 1.04 C ATOM 296 OG1 THR A 21 10.006 -0.682 -1.971 1.00 1.09 O ATOM 297 CG2 THR A 21 10.098 -0.061 -4.247 1.00 1.23 C ATOM 0 H THR A 21 7.816 -2.239 -1.787 1.00 0.94 H new ATOM 0 HA THR A 21 7.922 0.492 -2.668 1.00 0.92 H new ATOM 0 HB THR A 21 9.459 -1.959 -3.544 1.00 1.04 H new ATOM 0 HG1 THR A 21 9.722 -1.362 -1.325 1.00 1.09 H new ATOM 0 HG21 THR A 21 11.136 -0.379 -4.343 1.00 1.23 H new ATOM 0 HG22 THR A 21 9.595 -0.169 -5.208 1.00 1.23 H new ATOM 0 HG23 THR A 21 10.066 0.983 -3.936 1.00 1.23 H new ATOM 305 N LEU A 22 6.459 0.384 -4.681 1.00 1.24 N ATOM 306 CA LEU A 22 5.806 0.469 -5.983 1.00 1.36 C ATOM 307 C LEU A 22 6.838 1.026 -6.968 1.00 1.15 C ATOM 308 O LEU A 22 7.423 2.073 -6.692 1.00 1.04 O ATOM 309 CB LEU A 22 4.569 1.374 -5.829 1.00 1.53 C ATOM 310 CG LEU A 22 3.453 1.282 -6.883 1.00 1.87 C ATOM 311 CD1 LEU A 22 3.974 1.451 -8.307 1.00 1.95 C ATOM 312 CD2 LEU A 22 2.663 -0.030 -6.759 1.00 2.69 C ATOM 0 H LEU A 22 6.316 1.204 -4.091 1.00 1.24 H new ATOM 0 HA LEU A 22 5.462 -0.494 -6.360 1.00 1.36 H new ATOM 0 HB2 LEU A 22 4.124 1.163 -4.857 1.00 1.53 H new ATOM 0 HB3 LEU A 22 4.916 2.407 -5.804 1.00 1.53 H new ATOM 0 HG LEU A 22 2.779 2.114 -6.679 1.00 1.87 H new ATOM 0 HD11 LEU A 22 3.144 1.377 -9.009 1.00 1.95 H new ATOM 0 HD12 LEU A 22 4.448 2.427 -8.407 1.00 1.95 H new ATOM 0 HD13 LEU A 22 4.703 0.670 -8.523 1.00 1.95 H new ATOM 0 HD21 LEU A 22 1.883 -0.059 -7.520 1.00 2.69 H new ATOM 0 HD22 LEU A 22 3.337 -0.875 -6.898 1.00 2.69 H new ATOM 0 HD23 LEU A 22 2.207 -0.088 -5.771 1.00 2.69 H new ATOM 324 N GLU A 23 7.037 0.373 -8.113 1.00 1.24 N ATOM 325 CA GLU A 23 7.841 0.921 -9.214 1.00 1.20 C ATOM 326 C GLU A 23 7.100 0.941 -10.546 1.00 1.18 C ATOM 327 O GLU A 23 6.302 0.057 -10.848 1.00 1.38 O ATOM 328 CB GLU A 23 9.210 0.232 -9.359 1.00 1.46 C ATOM 329 CG GLU A 23 9.237 -1.118 -10.094 1.00 1.59 C ATOM 330 CD GLU A 23 10.687 -1.514 -10.355 1.00 2.05 C ATOM 331 OE1 GLU A 23 11.320 -2.012 -9.394 1.00 2.28 O ATOM 332 OE2 GLU A 23 11.218 -1.179 -11.436 1.00 3.09 O ATOM 0 H GLU A 23 6.648 -0.550 -8.307 1.00 1.24 H new ATOM 0 HA GLU A 23 8.026 1.958 -8.933 1.00 1.20 H new ATOM 0 HB2 GLU A 23 9.880 0.915 -9.881 1.00 1.46 H new ATOM 0 HB3 GLU A 23 9.622 0.083 -8.361 1.00 1.46 H new ATOM 0 HG2 GLU A 23 8.740 -1.882 -9.496 1.00 1.59 H new ATOM 0 HG3 GLU A 23 8.692 -1.045 -11.035 1.00 1.59 H new ATOM 339 N ASN A 24 7.433 1.940 -11.357 1.00 1.05 N ATOM 340 CA ASN A 24 7.081 2.013 -12.763 1.00 1.02 C ATOM 341 C ASN A 24 8.346 1.882 -13.629 1.00 1.09 C ATOM 342 O ASN A 24 9.152 2.814 -13.657 1.00 1.15 O ATOM 343 CB ASN A 24 6.403 3.361 -13.031 1.00 0.93 C ATOM 344 CG ASN A 24 5.916 3.465 -14.464 1.00 0.91 C ATOM 345 OD1 ASN A 24 5.824 2.487 -15.194 1.00 1.07 O ATOM 346 ND2 ASN A 24 5.576 4.662 -14.883 1.00 0.85 N ATOM 0 H ASN A 24 7.973 2.745 -11.039 1.00 1.05 H new ATOM 0 HA ASN A 24 6.401 1.200 -13.016 1.00 1.02 H new ATOM 0 HB2 ASN A 24 5.562 3.488 -12.350 1.00 0.93 H new ATOM 0 HB3 ASN A 24 7.105 4.169 -12.825 1.00 0.93 H new ATOM 0 HD21 ASN A 24 5.227 4.790 -15.833 1.00 0.85 H new ATOM 0 HD22 ASN A 24 5.660 5.464 -14.258 1.00 0.85 H new ATOM 353 N PRO A 25 8.529 0.773 -14.366 1.00 1.12 N ATOM 354 CA PRO A 25 9.594 0.642 -15.357 1.00 1.16 C ATOM 355 C PRO A 25 9.213 1.208 -16.735 1.00 1.18 C ATOM 356 O PRO A 25 10.079 1.300 -17.604 1.00 1.23 O ATOM 357 CB PRO A 25 9.843 -0.868 -15.425 1.00 1.25 C ATOM 358 CG PRO A 25 8.445 -1.449 -15.204 1.00 1.26 C ATOM 359 CD PRO A 25 7.823 -0.489 -14.196 1.00 1.17 C ATOM 0 HA PRO A 25 10.477 1.214 -15.073 1.00 1.16 H new ATOM 0 HB2 PRO A 25 10.258 -1.167 -16.387 1.00 1.25 H new ATOM 0 HB3 PRO A 25 10.544 -1.198 -14.659 1.00 1.25 H new ATOM 0 HG2 PRO A 25 7.873 -1.485 -16.131 1.00 1.26 H new ATOM 0 HG3 PRO A 25 8.489 -2.467 -14.816 1.00 1.26 H new ATOM 0 HD2 PRO A 25 6.755 -0.368 -14.378 1.00 1.17 H new ATOM 0 HD3 PRO A 25 7.932 -0.865 -13.179 1.00 1.17 H new ATOM 367 N GLY A 26 7.949 1.590 -16.951 1.00 1.16 N ATOM 368 CA GLY A 26 7.451 2.117 -18.218 1.00 1.18 C ATOM 369 C GLY A 26 7.776 3.595 -18.408 1.00 1.14 C ATOM 370 O GLY A 26 7.970 4.342 -17.455 1.00 1.24 O ATOM 0 H GLY A 26 7.230 1.538 -16.229 1.00 1.16 H new ATOM 0 HA2 GLY A 26 7.883 1.546 -19.040 1.00 1.18 H new ATOM 0 HA3 GLY A 26 6.371 1.977 -18.266 1.00 1.18 H new ATOM 374 N ASP A 27 7.815 4.005 -19.674 1.00 1.16 N ATOM 375 CA ASP A 27 8.195 5.346 -20.144 1.00 1.23 C ATOM 376 C ASP A 27 7.004 6.327 -20.220 1.00 1.15 C ATOM 377 O ASP A 27 7.159 7.480 -20.619 1.00 1.26 O ATOM 378 CB ASP A 27 8.931 5.182 -21.488 1.00 1.44 C ATOM 379 CG ASP A 27 10.155 4.268 -21.334 1.00 2.03 C ATOM 380 OD1 ASP A 27 9.978 3.029 -21.269 1.00 3.03 O ATOM 381 OD2 ASP A 27 11.275 4.771 -21.111 1.00 2.48 O ATOM 0 H ASP A 27 7.571 3.382 -20.444 1.00 1.16 H new ATOM 0 HA ASP A 27 8.862 5.809 -19.417 1.00 1.23 H new ATOM 0 HB2 ASP A 27 8.251 4.764 -22.231 1.00 1.44 H new ATOM 0 HB3 ASP A 27 9.245 6.158 -21.857 1.00 1.44 H new ATOM 386 N LEU A 28 5.824 5.885 -19.770 1.00 1.04 N ATOM 387 CA LEU A 28 4.633 6.696 -19.510 1.00 1.01 C ATOM 388 C LEU A 28 4.220 6.582 -18.022 1.00 0.87 C ATOM 389 O LEU A 28 4.662 5.641 -17.357 1.00 0.82 O ATOM 390 CB LEU A 28 3.554 6.293 -20.538 1.00 1.09 C ATOM 391 CG LEU A 28 2.987 4.857 -20.455 1.00 1.15 C ATOM 392 CD1 LEU A 28 1.975 4.680 -19.312 1.00 1.65 C ATOM 393 CD2 LEU A 28 2.279 4.533 -21.779 1.00 1.23 C ATOM 0 H LEU A 28 5.668 4.898 -19.567 1.00 1.04 H new ATOM 0 HA LEU A 28 4.815 7.761 -19.651 1.00 1.01 H new ATOM 0 HB2 LEU A 28 2.721 6.989 -20.441 1.00 1.09 H new ATOM 0 HB3 LEU A 28 3.971 6.432 -21.535 1.00 1.09 H new ATOM 0 HG LEU A 28 3.825 4.186 -20.264 1.00 1.15 H new ATOM 0 HD11 LEU A 28 1.612 3.652 -19.304 1.00 1.65 H new ATOM 0 HD12 LEU A 28 2.458 4.902 -18.361 1.00 1.65 H new ATOM 0 HD13 LEU A 28 1.136 5.360 -19.460 1.00 1.65 H new ATOM 0 HD21 LEU A 28 1.873 3.522 -21.737 1.00 1.23 H new ATOM 0 HD22 LEU A 28 1.468 5.243 -21.941 1.00 1.23 H new ATOM 0 HD23 LEU A 28 2.993 4.603 -22.600 1.00 1.23 H new ATOM 405 N PRO A 29 3.417 7.510 -17.464 1.00 0.87 N ATOM 406 CA PRO A 29 3.125 7.554 -16.033 1.00 0.78 C ATOM 407 C PRO A 29 2.037 6.530 -15.652 1.00 0.70 C ATOM 408 O PRO A 29 1.172 6.207 -16.468 1.00 0.77 O ATOM 409 CB PRO A 29 2.655 8.986 -15.761 1.00 0.88 C ATOM 410 CG PRO A 29 2.002 9.400 -17.079 1.00 1.02 C ATOM 411 CD PRO A 29 2.785 8.630 -18.146 1.00 1.03 C ATOM 0 HA PRO A 29 3.999 7.295 -15.436 1.00 0.78 H new ATOM 0 HB2 PRO A 29 1.948 9.026 -14.932 1.00 0.88 H new ATOM 0 HB3 PRO A 29 3.488 9.640 -15.502 1.00 0.88 H new ATOM 0 HG2 PRO A 29 0.943 9.141 -17.097 1.00 1.02 H new ATOM 0 HG3 PRO A 29 2.069 10.477 -17.236 1.00 1.02 H new ATOM 0 HD2 PRO A 29 2.122 8.279 -18.937 1.00 1.03 H new ATOM 0 HD3 PRO A 29 3.532 9.269 -18.617 1.00 1.03 H new ATOM 419 N LEU A 30 2.033 6.065 -14.395 1.00 0.64 N ATOM 420 CA LEU A 30 1.007 5.168 -13.844 1.00 0.62 C ATOM 421 C LEU A 30 0.091 5.893 -12.868 1.00 0.64 C ATOM 422 O LEU A 30 0.519 6.793 -12.151 1.00 0.82 O ATOM 423 CB LEU A 30 1.621 3.983 -13.090 1.00 0.75 C ATOM 424 CG LEU A 30 2.508 3.089 -13.948 1.00 0.76 C ATOM 425 CD1 LEU A 30 2.872 1.838 -13.149 1.00 1.81 C ATOM 426 CD2 LEU A 30 1.955 2.664 -15.312 1.00 1.79 C ATOM 0 H LEU A 30 2.758 6.307 -13.719 1.00 0.64 H new ATOM 0 HA LEU A 30 0.442 4.812 -14.706 1.00 0.62 H new ATOM 0 HB2 LEU A 30 2.208 4.363 -12.254 1.00 0.75 H new ATOM 0 HB3 LEU A 30 0.817 3.380 -12.667 1.00 0.75 H new ATOM 0 HG LEU A 30 3.370 3.712 -14.187 1.00 0.76 H new ATOM 0 HD11 LEU A 30 3.507 1.191 -13.755 1.00 1.81 H new ATOM 0 HD12 LEU A 30 3.407 2.127 -12.244 1.00 1.81 H new ATOM 0 HD13 LEU A 30 1.962 1.302 -12.878 1.00 1.81 H new ATOM 0 HD21 LEU A 30 2.684 2.032 -15.819 1.00 1.79 H new ATOM 0 HD22 LEU A 30 1.028 2.108 -15.172 1.00 1.79 H new ATOM 0 HD23 LEU A 30 1.759 3.549 -15.917 1.00 1.79 H new ATOM 438 N ARG A 31 -1.129 5.371 -12.755 1.00 0.58 N ATOM 439 CA ARG A 31 -2.119 5.754 -11.735 1.00 0.57 C ATOM 440 C ARG A 31 -2.683 4.505 -11.049 1.00 0.54 C ATOM 441 O ARG A 31 -3.341 3.681 -11.691 1.00 0.56 O ATOM 442 CB ARG A 31 -3.216 6.637 -12.356 1.00 0.61 C ATOM 443 CG ARG A 31 -4.048 7.378 -11.290 1.00 0.58 C ATOM 444 CD ARG A 31 -4.780 8.628 -11.811 1.00 0.71 C ATOM 445 NE ARG A 31 -3.871 9.773 -12.048 1.00 1.46 N ATOM 446 CZ ARG A 31 -3.736 10.507 -13.145 1.00 1.70 C ATOM 447 NH1 ARG A 31 -4.428 10.276 -14.242 1.00 1.91 N ATOM 448 NH2 ARG A 31 -2.886 11.506 -13.144 1.00 2.85 N ATOM 0 H ARG A 31 -1.472 4.648 -13.387 1.00 0.58 H new ATOM 0 HA ARG A 31 -1.633 6.351 -10.963 1.00 0.57 H new ATOM 0 HB2 ARG A 31 -2.757 7.365 -13.025 1.00 0.61 H new ATOM 0 HB3 ARG A 31 -3.877 6.018 -12.963 1.00 0.61 H new ATOM 0 HG2 ARG A 31 -4.783 6.688 -10.876 1.00 0.58 H new ATOM 0 HG3 ARG A 31 -3.390 7.672 -10.472 1.00 0.58 H new ATOM 0 HD2 ARG A 31 -5.294 8.381 -12.740 1.00 0.71 H new ATOM 0 HD3 ARG A 31 -5.545 8.921 -11.092 1.00 0.71 H new ATOM 0 HE ARG A 31 -3.270 10.031 -11.265 1.00 1.46 H new ATOM 0 HH11 ARG A 31 -5.099 9.508 -14.270 1.00 1.91 H new ATOM 0 HH12 ARG A 31 -4.293 10.865 -15.064 1.00 1.91 H new ATOM 0 HH21 ARG A 31 -2.340 11.710 -12.307 1.00 2.85 H new ATOM 0 HH22 ARG A 31 -2.771 12.079 -13.980 1.00 2.85 H new ATOM 462 N LEU A 32 -2.371 4.354 -9.762 1.00 0.53 N ATOM 463 CA LEU A 32 -2.668 3.211 -8.897 1.00 0.48 C ATOM 464 C LEU A 32 -3.943 3.522 -8.110 1.00 0.45 C ATOM 465 O LEU A 32 -3.915 4.308 -7.170 1.00 0.54 O ATOM 466 CB LEU A 32 -1.448 3.006 -7.979 1.00 0.49 C ATOM 467 CG LEU A 32 -1.596 1.908 -6.903 1.00 0.47 C ATOM 468 CD1 LEU A 32 -1.518 0.503 -7.515 1.00 0.61 C ATOM 469 CD2 LEU A 32 -0.479 2.075 -5.862 1.00 0.61 C ATOM 0 H LEU A 32 -1.866 5.083 -9.258 1.00 0.53 H new ATOM 0 HA LEU A 32 -2.842 2.293 -9.457 1.00 0.48 H new ATOM 0 HB2 LEU A 32 -0.585 2.766 -8.600 1.00 0.49 H new ATOM 0 HB3 LEU A 32 -1.229 3.950 -7.480 1.00 0.49 H new ATOM 0 HG LEU A 32 -2.575 2.015 -6.435 1.00 0.47 H new ATOM 0 HD11 LEU A 32 -1.626 -0.243 -6.728 1.00 0.61 H new ATOM 0 HD12 LEU A 32 -2.318 0.379 -8.245 1.00 0.61 H new ATOM 0 HD13 LEU A 32 -0.554 0.374 -8.008 1.00 0.61 H new ATOM 0 HD21 LEU A 32 -0.575 1.304 -5.098 1.00 0.61 H new ATOM 0 HD22 LEU A 32 0.491 1.982 -6.351 1.00 0.61 H new ATOM 0 HD23 LEU A 32 -0.559 3.058 -5.397 1.00 0.61 H new ATOM 481 N VAL A 33 -5.054 2.904 -8.494 1.00 0.46 N ATOM 482 CA VAL A 33 -6.393 3.205 -7.954 1.00 0.44 C ATOM 483 C VAL A 33 -6.791 2.287 -6.785 1.00 0.42 C ATOM 484 O VAL A 33 -7.766 2.558 -6.090 1.00 0.46 O ATOM 485 CB VAL A 33 -7.471 3.196 -9.068 1.00 0.48 C ATOM 486 CG1 VAL A 33 -7.075 4.122 -10.236 1.00 0.60 C ATOM 487 CG2 VAL A 33 -7.741 1.796 -9.654 1.00 0.62 C ATOM 0 H VAL A 33 -5.060 2.167 -9.199 1.00 0.46 H new ATOM 0 HA VAL A 33 -6.335 4.215 -7.547 1.00 0.44 H new ATOM 0 HB VAL A 33 -8.379 3.549 -8.579 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -7.851 4.094 -11.001 1.00 0.60 H new ATOM 0 HG12 VAL A 33 -6.963 5.142 -9.869 1.00 0.60 H new ATOM 0 HG13 VAL A 33 -6.131 3.785 -10.664 1.00 0.60 H new ATOM 0 HG21 VAL A 33 -8.506 1.867 -10.427 1.00 0.62 H new ATOM 0 HG22 VAL A 33 -6.823 1.399 -10.087 1.00 0.62 H new ATOM 0 HG23 VAL A 33 -8.086 1.131 -8.863 1.00 0.62 H new ATOM 497 N GLY A 34 -6.028 1.209 -6.553 1.00 0.43 N ATOM 498 CA GLY A 34 -6.185 0.311 -5.409 1.00 0.49 C ATOM 499 C GLY A 34 -5.210 -0.862 -5.477 1.00 0.49 C ATOM 500 O GLY A 34 -4.251 -0.842 -6.244 1.00 0.45 O ATOM 0 H GLY A 34 -5.267 0.934 -7.174 1.00 0.43 H new ATOM 0 HA2 GLY A 34 -6.023 0.866 -4.485 1.00 0.49 H new ATOM 0 HA3 GLY A 34 -7.207 -0.066 -5.379 1.00 0.49 H new ATOM 504 N ALA A 35 -5.471 -1.905 -4.692 1.00 0.59 N ATOM 505 CA ALA A 35 -4.832 -3.215 -4.823 1.00 0.56 C ATOM 506 C ALA A 35 -5.723 -4.313 -4.215 1.00 0.75 C ATOM 507 O ALA A 35 -6.836 -3.996 -3.803 1.00 0.91 O ATOM 508 CB ALA A 35 -3.430 -3.185 -4.226 1.00 0.76 C ATOM 0 H ALA A 35 -6.148 -1.863 -3.930 1.00 0.59 H new ATOM 0 HA ALA A 35 -4.717 -3.458 -5.879 1.00 0.56 H new ATOM 0 HB1 ALA A 35 -2.969 -4.167 -4.331 1.00 0.76 H new ATOM 0 HB2 ALA A 35 -2.827 -2.443 -4.749 1.00 0.76 H new ATOM 0 HB3 ALA A 35 -3.490 -2.924 -3.169 1.00 0.76 H new ATOM 514 N ARG A 36 -5.274 -5.577 -4.145 1.00 0.83 N ATOM 515 CA ARG A 36 -6.089 -6.730 -3.723 1.00 0.91 C ATOM 516 C ARG A 36 -5.214 -7.893 -3.293 1.00 0.89 C ATOM 517 O ARG A 36 -4.013 -7.719 -3.224 1.00 1.64 O ATOM 518 CB ARG A 36 -7.051 -7.148 -4.855 1.00 1.03 C ATOM 519 CG ARG A 36 -8.483 -6.867 -4.484 1.00 2.34 C ATOM 520 CD ARG A 36 -9.013 -7.831 -3.386 1.00 3.45 C ATOM 521 NE ARG A 36 -10.370 -7.558 -2.862 1.00 4.94 N ATOM 522 CZ ARG A 36 -11.530 -7.803 -3.461 1.00 5.59 C ATOM 523 NH1 ARG A 36 -11.611 -8.000 -4.761 1.00 5.10 N ATOM 524 NH2 ARG A 36 -12.634 -7.881 -2.752 1.00 7.22 N ATOM 0 H ARG A 36 -4.316 -5.832 -4.385 1.00 0.83 H new ATOM 0 HA ARG A 36 -6.683 -6.431 -2.859 1.00 0.91 H new ATOM 0 HB2 ARG A 36 -6.797 -6.610 -5.769 1.00 1.03 H new ATOM 0 HB3 ARG A 36 -6.929 -8.210 -5.066 1.00 1.03 H new ATOM 0 HG2 ARG A 36 -8.569 -5.839 -4.133 1.00 2.34 H new ATOM 0 HG3 ARG A 36 -9.109 -6.954 -5.372 1.00 2.34 H new ATOM 0 HD2 ARG A 36 -9.001 -8.844 -3.788 1.00 3.45 H new ATOM 0 HD3 ARG A 36 -8.315 -7.811 -2.549 1.00 3.45 H new ATOM 0 HE ARG A 36 -10.420 -7.134 -1.936 1.00 4.94 H new ATOM 0 HH11 ARG A 36 -10.769 -7.966 -5.335 1.00 5.10 H new ATOM 0 HH12 ARG A 36 -12.516 -8.186 -5.193 1.00 5.10 H new ATOM 0 HH21 ARG A 36 -12.601 -7.753 -1.741 1.00 7.22 H new ATOM 0 HH22 ARG A 36 -13.524 -8.069 -3.213 1.00 7.22 H new ATOM 538 N THR A 37 -5.793 -9.061 -3.022 1.00 0.49 N ATOM 539 CA THR A 37 -5.111 -10.312 -2.680 1.00 0.68 C ATOM 540 C THR A 37 -6.161 -11.411 -2.501 1.00 0.86 C ATOM 541 O THR A 37 -7.291 -11.074 -2.134 1.00 0.83 O ATOM 542 CB THR A 37 -4.246 -10.137 -1.419 1.00 0.91 C ATOM 543 OG1 THR A 37 -3.783 -11.392 -1.007 1.00 1.21 O ATOM 544 CG2 THR A 37 -4.954 -9.478 -0.238 1.00 0.89 C ATOM 0 H THR A 37 -6.807 -9.168 -3.035 1.00 0.49 H new ATOM 0 HA THR A 37 -4.435 -10.598 -3.486 1.00 0.68 H new ATOM 0 HB THR A 37 -3.438 -9.465 -1.708 1.00 0.91 H new ATOM 0 HG1 THR A 37 -2.928 -11.585 -1.445 1.00 1.21 H new ATOM 0 HG21 THR A 37 -4.264 -9.399 0.602 1.00 0.89 H new ATOM 0 HG22 THR A 37 -5.291 -8.482 -0.526 1.00 0.89 H new ATOM 0 HG23 THR A 37 -5.813 -10.082 0.054 1.00 0.89 H new ATOM 552 N PRO A 38 -5.815 -12.704 -2.656 1.00 1.10 N ATOM 553 CA PRO A 38 -6.607 -13.805 -2.113 1.00 1.18 C ATOM 554 C PRO A 38 -6.716 -13.812 -0.581 1.00 1.21 C ATOM 555 O PRO A 38 -7.647 -14.421 -0.064 1.00 1.33 O ATOM 556 CB PRO A 38 -5.896 -15.072 -2.592 1.00 1.31 C ATOM 557 CG PRO A 38 -4.449 -14.649 -2.818 1.00 1.35 C ATOM 558 CD PRO A 38 -4.625 -13.223 -3.326 1.00 1.27 C ATOM 0 HA PRO A 38 -7.638 -13.718 -2.457 1.00 1.18 H new ATOM 0 HB2 PRO A 38 -5.964 -15.867 -1.850 1.00 1.31 H new ATOM 0 HB3 PRO A 38 -6.344 -15.453 -3.510 1.00 1.31 H new ATOM 0 HG2 PRO A 38 -3.862 -14.688 -1.900 1.00 1.35 H new ATOM 0 HG3 PRO A 38 -3.945 -15.284 -3.546 1.00 1.35 H new ATOM 0 HD2 PRO A 38 -3.750 -12.615 -3.095 1.00 1.27 H new ATOM 0 HD3 PRO A 38 -4.748 -13.206 -4.409 1.00 1.27 H new ATOM 566 N VAL A 39 -5.787 -13.172 0.139 1.00 1.17 N ATOM 567 CA VAL A 39 -5.692 -13.267 1.620 1.00 1.27 C ATOM 568 C VAL A 39 -6.417 -12.162 2.405 1.00 1.10 C ATOM 569 O VAL A 39 -6.398 -12.194 3.633 1.00 1.24 O ATOM 570 CB VAL A 39 -4.244 -13.480 2.151 1.00 1.57 C ATOM 571 CG1 VAL A 39 -3.466 -14.476 1.273 1.00 1.78 C ATOM 572 CG2 VAL A 39 -3.407 -12.201 2.343 1.00 1.55 C ATOM 0 H VAL A 39 -5.076 -12.572 -0.278 1.00 1.17 H new ATOM 0 HA VAL A 39 -6.250 -14.181 1.824 1.00 1.27 H new ATOM 0 HB VAL A 39 -4.395 -13.886 3.151 1.00 1.57 H new ATOM 0 HG11 VAL A 39 -2.459 -14.602 1.671 1.00 1.78 H new ATOM 0 HG12 VAL A 39 -3.979 -15.438 1.272 1.00 1.78 H new ATOM 0 HG13 VAL A 39 -3.408 -14.094 0.254 1.00 1.78 H new ATOM 0 HG21 VAL A 39 -2.418 -12.466 2.716 1.00 1.55 H new ATOM 0 HG22 VAL A 39 -3.309 -11.684 1.389 1.00 1.55 H new ATOM 0 HG23 VAL A 39 -3.902 -11.547 3.061 1.00 1.55 H new ATOM 582 N ALA A 40 -7.114 -11.232 1.744 1.00 0.89 N ATOM 583 CA ALA A 40 -7.968 -10.221 2.388 1.00 0.83 C ATOM 584 C ALA A 40 -9.231 -9.946 1.565 1.00 0.78 C ATOM 585 O ALA A 40 -9.341 -10.392 0.418 1.00 0.95 O ATOM 586 CB ALA A 40 -7.190 -8.922 2.642 1.00 0.88 C ATOM 0 H ALA A 40 -7.102 -11.157 0.727 1.00 0.89 H new ATOM 0 HA ALA A 40 -8.281 -10.624 3.351 1.00 0.83 H new ATOM 0 HB1 ALA A 40 -7.845 -8.193 3.118 1.00 0.88 H new ATOM 0 HB2 ALA A 40 -6.341 -9.128 3.294 1.00 0.88 H new ATOM 0 HB3 ALA A 40 -6.831 -8.522 1.694 1.00 0.88 H new ATOM 592 N GLU A 41 -10.193 -9.241 2.166 1.00 0.76 N ATOM 593 CA GLU A 41 -11.470 -8.923 1.539 1.00 0.84 C ATOM 594 C GLU A 41 -11.549 -7.471 1.044 1.00 0.80 C ATOM 595 O GLU A 41 -11.200 -7.205 -0.112 1.00 1.06 O ATOM 596 CB GLU A 41 -12.619 -9.339 2.481 1.00 0.98 C ATOM 597 CG GLU A 41 -14.001 -9.255 1.825 1.00 1.17 C ATOM 598 CD GLU A 41 -13.959 -9.744 0.371 1.00 2.16 C ATOM 599 OE1 GLU A 41 -13.633 -10.932 0.156 1.00 2.83 O ATOM 600 OE2 GLU A 41 -13.995 -8.878 -0.527 1.00 3.25 O ATOM 0 H GLU A 41 -10.102 -8.873 3.113 1.00 0.76 H new ATOM 0 HA GLU A 41 -11.572 -9.506 0.624 1.00 0.84 H new ATOM 0 HB2 GLU A 41 -12.448 -10.360 2.822 1.00 0.98 H new ATOM 0 HB3 GLU A 41 -12.604 -8.701 3.364 1.00 0.98 H new ATOM 0 HG2 GLU A 41 -14.712 -9.855 2.392 1.00 1.17 H new ATOM 0 HG3 GLU A 41 -14.358 -8.226 1.854 1.00 1.17 H new ATOM 607 N ARG A 42 -11.983 -6.528 1.891 1.00 0.76 N ATOM 608 CA ARG A 42 -12.098 -5.114 1.515 1.00 0.88 C ATOM 609 C ARG A 42 -10.725 -4.464 1.670 1.00 0.83 C ATOM 610 O ARG A 42 -9.994 -4.771 2.611 1.00 1.05 O ATOM 611 CB ARG A 42 -13.162 -4.381 2.352 1.00 1.08 C ATOM 612 CG ARG A 42 -13.793 -3.204 1.586 1.00 1.58 C ATOM 613 CD ARG A 42 -14.648 -2.316 2.503 1.00 1.76 C ATOM 614 NE ARG A 42 -15.649 -1.540 1.736 1.00 2.65 N ATOM 615 CZ ARG A 42 -15.939 -0.245 1.864 1.00 3.19 C ATOM 616 NH1 ARG A 42 -15.239 0.579 2.610 1.00 3.24 N ATOM 617 NH2 ARG A 42 -16.977 0.247 1.222 1.00 4.39 N ATOM 0 H ARG A 42 -12.263 -6.723 2.852 1.00 0.76 H new ATOM 0 HA ARG A 42 -12.427 -5.043 0.478 1.00 0.88 H new ATOM 0 HB2 ARG A 42 -13.943 -5.085 2.641 1.00 1.08 H new ATOM 0 HB3 ARG A 42 -12.708 -4.012 3.272 1.00 1.08 H new ATOM 0 HG2 ARG A 42 -13.006 -2.604 1.130 1.00 1.58 H new ATOM 0 HG3 ARG A 42 -14.411 -3.589 0.774 1.00 1.58 H new ATOM 0 HD2 ARG A 42 -15.156 -2.937 3.240 1.00 1.76 H new ATOM 0 HD3 ARG A 42 -14.002 -1.632 3.053 1.00 1.76 H new ATOM 0 HE ARG A 42 -16.176 -2.054 1.030 1.00 2.65 H new ATOM 0 HH11 ARG A 42 -14.429 0.236 3.127 1.00 3.24 H new ATOM 0 HH12 ARG A 42 -15.505 1.562 2.672 1.00 3.24 H new ATOM 0 HH21 ARG A 42 -17.549 -0.361 0.635 1.00 4.39 H new ATOM 0 HH22 ARG A 42 -17.210 1.236 1.311 1.00 4.39 H new ATOM 631 N VAL A 43 -10.372 -3.577 0.750 1.00 0.88 N ATOM 632 CA VAL A 43 -9.019 -3.023 0.614 1.00 0.76 C ATOM 633 C VAL A 43 -9.091 -1.625 0.007 1.00 0.73 C ATOM 634 O VAL A 43 -9.802 -1.411 -0.974 1.00 0.94 O ATOM 635 CB VAL A 43 -8.079 -3.964 -0.171 1.00 0.97 C ATOM 636 CG1 VAL A 43 -8.749 -4.506 -1.440 1.00 1.33 C ATOM 637 CG2 VAL A 43 -6.734 -3.306 -0.538 1.00 1.00 C ATOM 0 H VAL A 43 -11.027 -3.210 0.060 1.00 0.88 H new ATOM 0 HA VAL A 43 -8.579 -2.937 1.608 1.00 0.76 H new ATOM 0 HB VAL A 43 -7.869 -4.793 0.505 1.00 0.97 H new ATOM 0 HG11 VAL A 43 -8.056 -5.164 -1.965 1.00 1.33 H new ATOM 0 HG12 VAL A 43 -9.645 -5.065 -1.168 1.00 1.33 H new ATOM 0 HG13 VAL A 43 -9.023 -3.675 -2.090 1.00 1.33 H new ATOM 0 HG21 VAL A 43 -6.119 -4.018 -1.088 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -6.916 -2.428 -1.158 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -6.215 -3.006 0.373 1.00 1.00 H new ATOM 647 N GLU A 44 -8.395 -0.681 0.643 1.00 0.64 N ATOM 648 CA GLU A 44 -8.532 0.762 0.430 1.00 0.65 C ATOM 649 C GLU A 44 -7.168 1.450 0.577 1.00 0.62 C ATOM 650 O GLU A 44 -6.504 1.297 1.603 1.00 0.71 O ATOM 651 CB GLU A 44 -9.502 1.339 1.479 1.00 0.80 C ATOM 652 CG GLU A 44 -10.941 0.820 1.336 1.00 1.01 C ATOM 653 CD GLU A 44 -11.804 1.239 2.521 1.00 1.28 C ATOM 654 OE1 GLU A 44 -11.727 2.421 2.924 1.00 1.91 O ATOM 655 OE2 GLU A 44 -12.575 0.373 3.001 1.00 2.49 O ATOM 0 H GLU A 44 -7.694 -0.909 1.348 1.00 0.64 H new ATOM 0 HA GLU A 44 -8.916 0.939 -0.575 1.00 0.65 H new ATOM 0 HB2 GLU A 44 -9.134 1.095 2.475 1.00 0.80 H new ATOM 0 HB3 GLU A 44 -9.507 2.426 1.398 1.00 0.80 H new ATOM 0 HG2 GLU A 44 -11.377 1.202 0.413 1.00 1.01 H new ATOM 0 HG3 GLU A 44 -10.931 -0.267 1.258 1.00 1.01 H new ATOM 662 N LEU A 45 -6.714 2.203 -0.435 1.00 0.55 N ATOM 663 CA LEU A 45 -5.468 2.949 -0.341 1.00 0.51 C ATOM 664 C LEU A 45 -5.668 4.244 0.448 1.00 0.49 C ATOM 665 O LEU A 45 -6.450 5.121 0.065 1.00 0.50 O ATOM 666 CB LEU A 45 -4.909 3.173 -1.754 1.00 0.52 C ATOM 667 CG LEU A 45 -3.433 3.615 -1.710 1.00 0.55 C ATOM 668 CD1 LEU A 45 -2.710 3.188 -2.979 1.00 0.53 C ATOM 669 CD2 LEU A 45 -3.266 5.129 -1.633 1.00 0.67 C ATOM 0 H LEU A 45 -7.198 2.306 -1.327 1.00 0.55 H new ATOM 0 HA LEU A 45 -4.726 2.378 0.217 1.00 0.51 H new ATOM 0 HB2 LEU A 45 -4.998 2.253 -2.332 1.00 0.52 H new ATOM 0 HB3 LEU A 45 -5.502 3.930 -2.266 1.00 0.52 H new ATOM 0 HG LEU A 45 -3.022 3.147 -0.816 1.00 0.55 H new ATOM 0 HD11 LEU A 45 -1.669 3.509 -2.930 1.00 0.53 H new ATOM 0 HD12 LEU A 45 -2.751 2.103 -3.074 1.00 0.53 H new ATOM 0 HD13 LEU A 45 -3.191 3.646 -3.843 1.00 0.53 H new ATOM 0 HD21 LEU A 45 -2.205 5.377 -1.605 1.00 0.67 H new ATOM 0 HD22 LEU A 45 -3.723 5.590 -2.508 1.00 0.67 H new ATOM 0 HD23 LEU A 45 -3.750 5.503 -0.731 1.00 0.67 H new ATOM 681 N HIS A 46 -4.906 4.367 1.532 1.00 0.49 N ATOM 682 CA HIS A 46 -4.826 5.558 2.374 1.00 0.49 C ATOM 683 C HIS A 46 -3.479 6.304 2.239 1.00 0.45 C ATOM 684 O HIS A 46 -2.437 5.721 1.911 1.00 0.44 O ATOM 685 CB HIS A 46 -5.092 5.187 3.846 1.00 0.60 C ATOM 686 CG HIS A 46 -6.519 4.898 4.260 1.00 0.72 C ATOM 687 ND1 HIS A 46 -7.048 5.243 5.508 1.00 0.96 N ATOM 688 CD2 HIS A 46 -7.509 4.292 3.537 1.00 0.66 C ATOM 689 CE1 HIS A 46 -8.307 4.780 5.520 1.00 1.01 C ATOM 690 NE2 HIS A 46 -8.606 4.182 4.356 1.00 0.82 N ATOM 0 H HIS A 46 -4.305 3.611 1.860 1.00 0.49 H new ATOM 0 HA HIS A 46 -5.597 6.245 2.025 1.00 0.49 H new ATOM 0 HB2 HIS A 46 -4.491 4.309 4.083 1.00 0.60 H new ATOM 0 HB3 HIS A 46 -4.723 6.003 4.468 1.00 0.60 H new ATOM 0 HD2 HIS A 46 -7.441 3.961 2.511 1.00 0.66 H new ATOM 0 HE1 HIS A 46 -8.988 4.875 6.353 1.00 1.01 H new ATOM 0 HE2 HIS A 46 -9.489 3.728 4.122 1.00 0.82 H new ATOM 698 N GLU A 47 -3.533 7.609 2.499 1.00 0.49 N ATOM 699 CA GLU A 47 -2.408 8.550 2.506 1.00 0.62 C ATOM 700 C GLU A 47 -2.070 9.040 3.926 1.00 0.78 C ATOM 701 O GLU A 47 -2.665 8.596 4.914 1.00 0.76 O ATOM 702 CB GLU A 47 -2.714 9.741 1.575 1.00 0.88 C ATOM 703 CG GLU A 47 -3.897 10.590 2.055 1.00 0.99 C ATOM 704 CD GLU A 47 -3.991 11.927 1.331 1.00 1.46 C ATOM 705 OE1 GLU A 47 -3.827 11.991 0.097 1.00 2.78 O ATOM 706 OE2 GLU A 47 -4.373 12.916 1.988 1.00 1.85 O ATOM 0 H GLU A 47 -4.416 8.068 2.724 1.00 0.49 H new ATOM 0 HA GLU A 47 -1.529 8.021 2.136 1.00 0.62 H new ATOM 0 HB2 GLU A 47 -1.829 10.372 1.499 1.00 0.88 H new ATOM 0 HB3 GLU A 47 -2.926 9.367 0.573 1.00 0.88 H new ATOM 0 HG2 GLU A 47 -4.823 10.034 1.905 1.00 0.99 H new ATOM 0 HG3 GLU A 47 -3.801 10.767 3.126 1.00 0.99 H new ATOM 713 N THR A 48 -1.119 9.972 4.029 1.00 1.13 N ATOM 714 CA THR A 48 -0.745 10.693 5.248 1.00 1.39 C ATOM 715 C THR A 48 -0.286 12.089 4.861 1.00 1.61 C ATOM 716 O THR A 48 0.599 12.238 4.020 1.00 1.85 O ATOM 717 CB THR A 48 0.366 9.970 6.009 1.00 1.49 C ATOM 718 OG1 THR A 48 -0.049 8.648 6.223 1.00 1.42 O ATOM 719 CG2 THR A 48 0.652 10.611 7.369 1.00 1.78 C ATOM 0 H THR A 48 -0.561 10.258 3.224 1.00 1.13 H new ATOM 0 HA THR A 48 -1.611 10.745 5.908 1.00 1.39 H new ATOM 0 HB THR A 48 1.279 10.026 5.416 1.00 1.49 H new ATOM 0 HG1 THR A 48 0.649 8.161 6.709 1.00 1.42 H new ATOM 0 HG21 THR A 48 1.449 10.061 7.870 1.00 1.78 H new ATOM 0 HG22 THR A 48 0.961 11.646 7.225 1.00 1.78 H new ATOM 0 HG23 THR A 48 -0.249 10.583 7.981 1.00 1.78 H new ATOM 727 N PHE A 49 -0.869 13.099 5.496 1.00 1.66 N ATOM 728 CA PHE A 49 -0.601 14.513 5.257 1.00 1.73 C ATOM 729 C PHE A 49 -0.199 15.216 6.559 1.00 1.69 C ATOM 730 O PHE A 49 -0.616 14.831 7.652 1.00 1.73 O ATOM 731 CB PHE A 49 -1.846 15.162 4.626 1.00 1.82 C ATOM 732 CG PHE A 49 -3.119 15.020 5.445 1.00 1.79 C ATOM 733 CD1 PHE A 49 -3.393 15.910 6.498 1.00 2.71 C ATOM 734 CD2 PHE A 49 -4.012 13.963 5.182 1.00 2.37 C ATOM 735 CE1 PHE A 49 -4.541 15.743 7.290 1.00 2.65 C ATOM 736 CE2 PHE A 49 -5.162 13.794 5.969 1.00 2.38 C ATOM 737 CZ PHE A 49 -5.425 14.683 7.020 1.00 1.72 C ATOM 0 H PHE A 49 -1.570 12.949 6.221 1.00 1.66 H new ATOM 0 HA PHE A 49 0.236 14.615 4.566 1.00 1.73 H new ATOM 0 HB2 PHE A 49 -1.647 16.222 4.470 1.00 1.82 H new ATOM 0 HB3 PHE A 49 -2.011 14.720 3.643 1.00 1.82 H new ATOM 0 HD1 PHE A 49 -2.717 16.727 6.699 1.00 2.71 H new ATOM 0 HD2 PHE A 49 -3.811 13.279 4.371 1.00 2.37 H new ATOM 0 HE1 PHE A 49 -4.744 16.425 8.102 1.00 2.65 H new ATOM 0 HE2 PHE A 49 -5.843 12.981 5.765 1.00 2.38 H new ATOM 0 HZ PHE A 49 -6.310 14.554 7.625 1.00 1.72 H new ATOM 747 N MET A 50 0.572 16.297 6.435 1.00 1.67 N ATOM 748 CA MET A 50 0.908 17.200 7.539 1.00 1.66 C ATOM 749 C MET A 50 -0.172 18.270 7.729 1.00 1.42 C ATOM 750 O MET A 50 -0.828 18.692 6.770 1.00 1.71 O ATOM 751 CB MET A 50 2.305 17.818 7.345 1.00 2.04 C ATOM 752 CG MET A 50 2.515 18.569 6.021 1.00 3.26 C ATOM 753 SD MET A 50 2.880 17.509 4.593 1.00 4.35 S ATOM 754 CE MET A 50 3.237 18.786 3.363 1.00 4.81 C ATOM 0 H MET A 50 0.989 16.576 5.547 1.00 1.67 H new ATOM 0 HA MET A 50 0.941 16.613 8.457 1.00 1.66 H new ATOM 0 HB2 MET A 50 2.497 18.506 8.168 1.00 2.04 H new ATOM 0 HB3 MET A 50 3.048 17.024 7.414 1.00 2.04 H new ATOM 0 HG2 MET A 50 1.619 19.151 5.804 1.00 3.26 H new ATOM 0 HG3 MET A 50 3.333 19.278 6.148 1.00 3.26 H new ATOM 0 HE1 MET A 50 3.485 18.316 2.411 1.00 4.81 H new ATOM 0 HE2 MET A 50 2.362 19.423 3.236 1.00 4.81 H new ATOM 0 HE3 MET A 50 4.080 19.390 3.700 1.00 4.81 H new ATOM 764 N ARG A 51 -0.358 18.724 8.969 1.00 1.40 N ATOM 765 CA ARG A 51 -1.373 19.712 9.333 1.00 1.35 C ATOM 766 C ARG A 51 -1.041 20.409 10.651 1.00 1.48 C ATOM 767 O ARG A 51 -0.584 19.762 11.594 1.00 1.54 O ATOM 768 CB ARG A 51 -2.756 19.027 9.431 1.00 1.51 C ATOM 769 CG ARG A 51 -3.879 19.908 8.872 1.00 2.45 C ATOM 770 CD ARG A 51 -3.826 19.944 7.340 1.00 3.14 C ATOM 771 NE ARG A 51 -4.816 20.883 6.792 1.00 4.10 N ATOM 772 CZ ARG A 51 -5.217 20.928 5.527 1.00 5.10 C ATOM 773 NH1 ARG A 51 -4.754 20.081 4.629 1.00 5.55 N ATOM 774 NH2 ARG A 51 -6.094 21.837 5.158 1.00 6.11 N ATOM 0 H ARG A 51 0.202 18.410 9.762 1.00 1.40 H new ATOM 0 HA ARG A 51 -1.393 20.474 8.554 1.00 1.35 H new ATOM 0 HB2 ARG A 51 -2.732 18.083 8.886 1.00 1.51 H new ATOM 0 HB3 ARG A 51 -2.968 18.788 10.473 1.00 1.51 H new ATOM 0 HG2 ARG A 51 -4.846 19.525 9.199 1.00 2.45 H new ATOM 0 HG3 ARG A 51 -3.786 20.919 9.268 1.00 2.45 H new ATOM 0 HD2 ARG A 51 -2.827 20.235 7.016 1.00 3.14 H new ATOM 0 HD3 ARG A 51 -4.011 18.945 6.944 1.00 3.14 H new ATOM 0 HE ARG A 51 -5.229 21.556 7.438 1.00 4.10 H new ATOM 0 HH11 ARG A 51 -4.073 19.372 4.900 1.00 5.55 H new ATOM 0 HH12 ARG A 51 -5.077 20.135 3.663 1.00 5.55 H new ATOM 0 HH21 ARG A 51 -6.460 22.500 5.842 1.00 6.11 H new ATOM 0 HH22 ARG A 51 -6.408 21.879 4.188 1.00 6.11 H new ATOM 788 N GLU A 52 -1.367 21.693 10.734 1.00 1.59 N ATOM 789 CA GLU A 52 -1.469 22.400 12.002 1.00 1.66 C ATOM 790 C GLU A 52 -2.927 22.474 12.440 1.00 1.71 C ATOM 791 O GLU A 52 -3.819 22.633 11.607 1.00 1.96 O ATOM 792 CB GLU A 52 -0.862 23.804 11.916 1.00 1.97 C ATOM 793 CG GLU A 52 0.608 23.784 12.332 1.00 2.51 C ATOM 794 CD GLU A 52 1.509 23.078 11.321 1.00 2.96 C ATOM 795 OE1 GLU A 52 1.676 21.840 11.397 1.00 3.34 O ATOM 796 OE2 GLU A 52 2.200 23.766 10.546 1.00 3.83 O ATOM 0 H GLU A 52 -1.569 22.274 9.920 1.00 1.59 H new ATOM 0 HA GLU A 52 -0.899 21.843 12.746 1.00 1.66 H new ATOM 0 HB2 GLU A 52 -0.952 24.182 10.898 1.00 1.97 H new ATOM 0 HB3 GLU A 52 -1.418 24.486 12.560 1.00 1.97 H new ATOM 0 HG2 GLU A 52 0.955 24.809 12.465 1.00 2.51 H new ATOM 0 HG3 GLU A 52 0.699 23.288 13.298 1.00 2.51 H new ATOM 803 N VAL A 53 -3.138 22.371 13.748 1.00 1.65 N ATOM 804 CA VAL A 53 -4.449 22.389 14.402 1.00 1.76 C ATOM 805 C VAL A 53 -4.261 22.723 15.881 1.00 2.13 C ATOM 806 O VAL A 53 -3.346 22.199 16.511 1.00 3.70 O ATOM 807 CB VAL A 53 -5.229 21.086 14.149 1.00 1.68 C ATOM 808 CG1 VAL A 53 -4.583 19.892 14.843 1.00 2.65 C ATOM 809 CG2 VAL A 53 -6.701 21.224 14.560 1.00 2.58 C ATOM 0 H VAL A 53 -2.371 22.268 14.412 1.00 1.65 H new ATOM 0 HA VAL A 53 -5.072 23.170 13.966 1.00 1.76 H new ATOM 0 HB VAL A 53 -5.194 20.901 13.075 1.00 1.68 H new ATOM 0 HG11 VAL A 53 -5.165 18.993 14.638 1.00 2.65 H new ATOM 0 HG12 VAL A 53 -3.568 19.759 14.469 1.00 2.65 H new ATOM 0 HG13 VAL A 53 -4.554 20.068 15.918 1.00 2.65 H new ATOM 0 HG21 VAL A 53 -7.222 20.286 14.368 1.00 2.58 H new ATOM 0 HG22 VAL A 53 -6.761 21.462 15.622 1.00 2.58 H new ATOM 0 HG23 VAL A 53 -7.167 22.023 13.982 1.00 2.58 H new ATOM 819 N GLU A 54 -5.047 23.676 16.398 1.00 1.56 N ATOM 820 CA GLU A 54 -4.867 24.256 17.744 1.00 1.76 C ATOM 821 C GLU A 54 -3.470 24.915 17.906 1.00 1.88 C ATOM 822 O GLU A 54 -2.934 25.030 19.002 1.00 2.10 O ATOM 823 CB GLU A 54 -5.201 23.183 18.806 1.00 1.83 C ATOM 824 CG GLU A 54 -5.514 23.723 20.215 1.00 2.42 C ATOM 825 CD GLU A 54 -4.451 23.361 21.254 1.00 2.71 C ATOM 826 OE1 GLU A 54 -3.945 22.214 21.255 1.00 3.25 O ATOM 827 OE2 GLU A 54 -4.091 24.226 22.083 1.00 3.43 O ATOM 0 H GLU A 54 -5.837 24.074 15.890 1.00 1.56 H new ATOM 0 HA GLU A 54 -5.565 25.080 17.894 1.00 1.76 H new ATOM 0 HB2 GLU A 54 -6.058 22.606 18.458 1.00 1.83 H new ATOM 0 HB3 GLU A 54 -4.360 22.493 18.878 1.00 1.83 H new ATOM 0 HG2 GLU A 54 -5.610 24.808 20.167 1.00 2.42 H new ATOM 0 HG3 GLU A 54 -6.478 23.331 20.540 1.00 2.42 H new ATOM 834 N GLY A 55 -2.827 25.298 16.792 1.00 1.90 N ATOM 835 CA GLY A 55 -1.445 25.801 16.749 1.00 2.12 C ATOM 836 C GLY A 55 -0.375 24.702 16.812 1.00 2.01 C ATOM 837 O GLY A 55 0.808 24.985 16.653 1.00 2.39 O ATOM 0 H GLY A 55 -3.266 25.266 15.872 1.00 1.90 H new ATOM 0 HA2 GLY A 55 -1.307 26.375 15.833 1.00 2.12 H new ATOM 0 HA3 GLY A 55 -1.294 26.488 17.581 1.00 2.12 H new ATOM 841 N LYS A 56 -0.765 23.445 17.031 1.00 1.66 N ATOM 842 CA LYS A 56 0.111 22.290 17.169 1.00 1.70 C ATOM 843 C LYS A 56 0.283 21.580 15.820 1.00 1.55 C ATOM 844 O LYS A 56 -0.663 21.511 15.030 1.00 1.41 O ATOM 845 CB LYS A 56 -0.502 21.344 18.223 1.00 1.74 C ATOM 846 CG LYS A 56 -1.066 22.007 19.495 1.00 2.13 C ATOM 847 CD LYS A 56 -0.066 22.888 20.271 1.00 2.66 C ATOM 848 CE LYS A 56 -0.792 23.865 21.207 1.00 2.96 C ATOM 849 NZ LYS A 56 -1.646 23.186 22.203 1.00 3.06 N ATOM 0 H LYS A 56 -1.750 23.197 17.121 1.00 1.66 H new ATOM 0 HA LYS A 56 1.102 22.606 17.494 1.00 1.70 H new ATOM 0 HB2 LYS A 56 -1.304 20.778 17.749 1.00 1.74 H new ATOM 0 HB3 LYS A 56 0.261 20.626 18.522 1.00 1.74 H new ATOM 0 HG2 LYS A 56 -1.925 22.618 19.217 1.00 2.13 H new ATOM 0 HG3 LYS A 56 -1.432 21.226 20.162 1.00 2.13 H new ATOM 0 HD2 LYS A 56 0.605 22.255 20.852 1.00 2.66 H new ATOM 0 HD3 LYS A 56 0.552 23.446 19.568 1.00 2.66 H new ATOM 0 HE2 LYS A 56 -0.055 24.477 21.726 1.00 2.96 H new ATOM 0 HE3 LYS A 56 -1.406 24.541 20.612 1.00 2.96 H new ATOM 0 HZ1 LYS A 56 -2.284 23.879 22.643 1.00 3.06 H new ATOM 0 HZ2 LYS A 56 -2.208 22.448 21.733 1.00 3.06 H new ATOM 0 HZ3 LYS A 56 -1.048 22.752 22.935 1.00 3.06 H new ATOM 863 N LYS A 57 1.478 21.045 15.548 1.00 1.70 N ATOM 864 CA LYS A 57 1.773 20.279 14.326 1.00 1.66 C ATOM 865 C LYS A 57 1.340 18.809 14.492 1.00 1.46 C ATOM 866 O LYS A 57 1.641 18.208 15.520 1.00 1.58 O ATOM 867 CB LYS A 57 3.272 20.384 13.974 1.00 2.02 C ATOM 868 CG LYS A 57 3.793 21.836 13.914 1.00 2.52 C ATOM 869 CD LYS A 57 5.171 21.992 13.246 1.00 3.23 C ATOM 870 CE LYS A 57 5.270 21.481 11.796 1.00 3.44 C ATOM 871 NZ LYS A 57 4.357 22.187 10.861 1.00 3.91 N ATOM 0 H LYS A 57 2.278 21.131 16.175 1.00 1.70 H new ATOM 0 HA LYS A 57 1.203 20.704 13.500 1.00 1.66 H new ATOM 0 HB2 LYS A 57 3.850 19.830 14.714 1.00 2.02 H new ATOM 0 HB3 LYS A 57 3.445 19.905 13.010 1.00 2.02 H new ATOM 0 HG2 LYS A 57 3.070 22.446 13.373 1.00 2.52 H new ATOM 0 HG3 LYS A 57 3.848 22.231 14.928 1.00 2.52 H new ATOM 0 HD2 LYS A 57 5.444 23.047 13.260 1.00 3.23 H new ATOM 0 HD3 LYS A 57 5.909 21.464 13.850 1.00 3.23 H new ATOM 0 HE2 LYS A 57 6.296 21.596 11.447 1.00 3.44 H new ATOM 0 HE3 LYS A 57 5.044 20.415 11.778 1.00 3.44 H new ATOM 0 HZ1 LYS A 57 4.814 22.277 9.931 1.00 3.91 H new ATOM 0 HZ2 LYS A 57 3.475 21.646 10.762 1.00 3.91 H new ATOM 0 HZ3 LYS A 57 4.142 23.134 11.234 1.00 3.91 H new ATOM 885 N VAL A 58 0.667 18.235 13.494 1.00 1.39 N ATOM 886 CA VAL A 58 0.025 16.905 13.525 1.00 1.28 C ATOM 887 C VAL A 58 0.146 16.233 12.144 1.00 1.33 C ATOM 888 O VAL A 58 0.199 16.921 11.126 1.00 1.51 O ATOM 889 CB VAL A 58 -1.465 17.044 13.948 1.00 1.33 C ATOM 890 CG1 VAL A 58 -2.255 15.724 13.886 1.00 1.60 C ATOM 891 CG2 VAL A 58 -1.606 17.612 15.374 1.00 1.56 C ATOM 0 H VAL A 58 0.544 18.701 12.595 1.00 1.39 H new ATOM 0 HA VAL A 58 0.530 16.276 14.258 1.00 1.28 H new ATOM 0 HB VAL A 58 -1.887 17.734 13.217 1.00 1.33 H new ATOM 0 HG11 VAL A 58 -3.285 15.902 14.195 1.00 1.60 H new ATOM 0 HG12 VAL A 58 -2.243 15.341 12.866 1.00 1.60 H new ATOM 0 HG13 VAL A 58 -1.797 14.994 14.553 1.00 1.60 H new ATOM 0 HG21 VAL A 58 -2.662 17.693 15.631 1.00 1.56 H new ATOM 0 HG22 VAL A 58 -1.111 16.947 16.081 1.00 1.56 H new ATOM 0 HG23 VAL A 58 -1.145 18.598 15.420 1.00 1.56 H new ATOM 901 N MET A 59 0.181 14.895 12.103 1.00 1.34 N ATOM 902 CA MET A 59 -0.008 14.093 10.881 1.00 1.39 C ATOM 903 C MET A 59 -1.391 13.422 10.889 1.00 1.39 C ATOM 904 O MET A 59 -1.790 12.872 11.914 1.00 1.46 O ATOM 905 CB MET A 59 1.077 13.012 10.760 1.00 1.57 C ATOM 906 CG MET A 59 2.499 13.581 10.794 1.00 2.28 C ATOM 907 SD MET A 59 2.878 14.795 9.508 1.00 3.92 S ATOM 908 CE MET A 59 4.472 15.336 10.162 1.00 4.23 C ATOM 0 H MET A 59 0.345 14.326 12.933 1.00 1.34 H new ATOM 0 HA MET A 59 0.066 14.766 10.027 1.00 1.39 H new ATOM 0 HB2 MET A 59 0.959 12.295 11.573 1.00 1.57 H new ATOM 0 HB3 MET A 59 0.933 12.464 9.829 1.00 1.57 H new ATOM 0 HG2 MET A 59 2.664 14.044 11.767 1.00 2.28 H new ATOM 0 HG3 MET A 59 3.205 12.755 10.710 1.00 2.28 H new ATOM 0 HE1 MET A 59 4.893 16.101 9.509 1.00 4.23 H new ATOM 0 HE2 MET A 59 4.334 15.748 11.162 1.00 4.23 H new ATOM 0 HE3 MET A 59 5.153 14.486 10.211 1.00 4.23 H new ATOM 918 N GLY A 60 -2.111 13.461 9.764 1.00 1.57 N ATOM 919 CA GLY A 60 -3.434 12.844 9.594 1.00 1.76 C ATOM 920 C GLY A 60 -3.488 11.888 8.407 1.00 1.62 C ATOM 921 O GLY A 60 -2.780 12.088 7.427 1.00 1.81 O ATOM 0 H GLY A 60 -1.783 13.935 8.923 1.00 1.57 H new ATOM 0 HA2 GLY A 60 -3.698 12.304 10.503 1.00 1.76 H new ATOM 0 HA3 GLY A 60 -4.181 13.626 9.460 1.00 1.76 H new ATOM 925 N MET A 61 -4.355 10.875 8.484 1.00 1.45 N ATOM 926 CA MET A 61 -4.569 9.857 7.444 1.00 1.28 C ATOM 927 C MET A 61 -5.990 9.941 6.862 1.00 1.25 C ATOM 928 O MET A 61 -6.887 10.512 7.482 1.00 1.48 O ATOM 929 CB MET A 61 -4.324 8.451 8.024 1.00 1.29 C ATOM 930 CG MET A 61 -2.859 8.181 8.392 1.00 1.40 C ATOM 931 SD MET A 61 -2.222 8.985 9.886 1.00 2.26 S ATOM 932 CE MET A 61 -0.590 8.206 9.915 1.00 2.02 C ATOM 0 H MET A 61 -4.950 10.733 9.300 1.00 1.45 H new ATOM 0 HA MET A 61 -3.861 10.047 6.638 1.00 1.28 H new ATOM 0 HB2 MET A 61 -4.942 8.322 8.912 1.00 1.29 H new ATOM 0 HB3 MET A 61 -4.650 7.706 7.298 1.00 1.29 H new ATOM 0 HG2 MET A 61 -2.732 7.105 8.507 1.00 1.40 H new ATOM 0 HG3 MET A 61 -2.237 8.488 7.551 1.00 1.40 H new ATOM 0 HE1 MET A 61 0.017 8.661 10.698 1.00 2.02 H new ATOM 0 HE2 MET A 61 -0.699 7.140 10.114 1.00 2.02 H new ATOM 0 HE3 MET A 61 -0.103 8.347 8.950 1.00 2.02 H new ATOM 942 N ARG A 62 -6.208 9.338 5.688 1.00 0.98 N ATOM 943 CA ARG A 62 -7.510 9.183 5.007 1.00 0.84 C ATOM 944 C ARG A 62 -7.354 8.252 3.792 1.00 0.67 C ATOM 945 O ARG A 62 -6.233 8.164 3.283 1.00 0.54 O ATOM 946 CB ARG A 62 -8.103 10.545 4.565 1.00 1.02 C ATOM 947 CG ARG A 62 -7.236 11.292 3.537 1.00 2.35 C ATOM 948 CD ARG A 62 -7.960 12.468 2.871 1.00 2.42 C ATOM 949 NE ARG A 62 -7.072 13.050 1.861 1.00 3.56 N ATOM 950 CZ ARG A 62 -7.286 13.328 0.587 1.00 4.48 C ATOM 951 NH1 ARG A 62 -8.499 13.431 0.081 1.00 4.61 N ATOM 952 NH2 ARG A 62 -6.236 13.499 -0.183 1.00 5.82 N ATOM 0 H ARG A 62 -5.445 8.921 5.155 1.00 0.98 H new ATOM 0 HA ARG A 62 -8.207 8.743 5.720 1.00 0.84 H new ATOM 0 HB2 ARG A 62 -9.093 10.380 4.140 1.00 1.02 H new ATOM 0 HB3 ARG A 62 -8.234 11.176 5.444 1.00 1.02 H new ATOM 0 HG2 ARG A 62 -6.337 11.661 4.030 1.00 2.35 H new ATOM 0 HG3 ARG A 62 -6.913 10.591 2.767 1.00 2.35 H new ATOM 0 HD2 ARG A 62 -8.888 12.129 2.410 1.00 2.42 H new ATOM 0 HD3 ARG A 62 -8.229 13.217 3.615 1.00 2.42 H new ATOM 0 HE ARG A 62 -6.136 13.278 2.196 1.00 3.56 H new ATOM 0 HH11 ARG A 62 -9.314 13.295 0.679 1.00 4.61 H new ATOM 0 HH12 ARG A 62 -8.622 13.647 -0.908 1.00 4.61 H new ATOM 0 HH21 ARG A 62 -5.298 13.416 0.208 1.00 5.82 H new ATOM 0 HH22 ARG A 62 -6.359 13.715 -1.172 1.00 5.82 H new ATOM 966 N PRO A 63 -8.424 7.631 3.255 1.00 0.70 N ATOM 967 CA PRO A 63 -8.367 7.031 1.932 1.00 0.62 C ATOM 968 C PRO A 63 -8.268 8.098 0.838 1.00 0.61 C ATOM 969 O PRO A 63 -8.653 9.252 1.038 1.00 0.70 O ATOM 970 CB PRO A 63 -9.605 6.157 1.766 1.00 0.68 C ATOM 971 CG PRO A 63 -10.482 6.452 2.978 1.00 0.66 C ATOM 972 CD PRO A 63 -9.767 7.529 3.800 1.00 0.91 C ATOM 0 HA PRO A 63 -7.470 6.420 1.833 1.00 0.62 H new ATOM 0 HB2 PRO A 63 -10.128 6.390 0.838 1.00 0.68 H new ATOM 0 HB3 PRO A 63 -9.337 5.101 1.724 1.00 0.68 H new ATOM 0 HG2 PRO A 63 -11.468 6.797 2.665 1.00 0.66 H new ATOM 0 HG3 PRO A 63 -10.633 5.551 3.572 1.00 0.66 H new ATOM 0 HD2 PRO A 63 -10.289 8.483 3.729 1.00 0.91 H new ATOM 0 HD3 PRO A 63 -9.739 7.258 4.856 1.00 0.91 H new ATOM 980 N VAL A 64 -7.794 7.675 -0.333 1.00 0.63 N ATOM 981 CA VAL A 64 -7.820 8.440 -1.591 1.00 0.71 C ATOM 982 C VAL A 64 -8.401 7.588 -2.725 1.00 0.67 C ATOM 983 O VAL A 64 -8.343 6.361 -2.637 1.00 0.57 O ATOM 984 CB VAL A 64 -6.413 8.932 -2.006 1.00 0.80 C ATOM 985 CG1 VAL A 64 -6.056 10.199 -1.229 1.00 0.90 C ATOM 986 CG2 VAL A 64 -5.310 7.875 -1.844 1.00 0.79 C ATOM 0 H VAL A 64 -7.364 6.756 -0.442 1.00 0.63 H new ATOM 0 HA VAL A 64 -8.450 9.311 -1.414 1.00 0.71 H new ATOM 0 HB VAL A 64 -6.464 9.146 -3.073 1.00 0.80 H new ATOM 0 HG11 VAL A 64 -5.064 10.540 -1.526 1.00 0.90 H new ATOM 0 HG12 VAL A 64 -6.788 10.977 -1.446 1.00 0.90 H new ATOM 0 HG13 VAL A 64 -6.061 9.984 -0.160 1.00 0.90 H new ATOM 0 HG21 VAL A 64 -4.354 8.296 -2.155 1.00 0.79 H new ATOM 0 HG22 VAL A 64 -5.249 7.570 -0.799 1.00 0.79 H new ATOM 0 HG23 VAL A 64 -5.543 7.008 -2.462 1.00 0.79 H new ATOM 996 N PRO A 65 -8.938 8.201 -3.801 1.00 0.80 N ATOM 997 CA PRO A 65 -9.413 7.473 -4.975 1.00 0.84 C ATOM 998 C PRO A 65 -8.274 6.889 -5.825 1.00 0.74 C ATOM 999 O PRO A 65 -8.565 6.098 -6.719 1.00 0.75 O ATOM 1000 CB PRO A 65 -10.230 8.496 -5.774 1.00 1.03 C ATOM 1001 CG PRO A 65 -9.543 9.819 -5.442 1.00 1.09 C ATOM 1002 CD PRO A 65 -9.155 9.633 -3.977 1.00 0.97 C ATOM 0 HA PRO A 65 -10.002 6.606 -4.676 1.00 0.84 H new ATOM 0 HB2 PRO A 65 -10.205 8.286 -6.843 1.00 1.03 H new ATOM 0 HB3 PRO A 65 -11.278 8.499 -5.474 1.00 1.03 H new ATOM 0 HG2 PRO A 65 -8.672 9.993 -6.073 1.00 1.09 H new ATOM 0 HG3 PRO A 65 -10.211 10.669 -5.580 1.00 1.09 H new ATOM 0 HD2 PRO A 65 -8.254 10.197 -3.737 1.00 0.97 H new ATOM 0 HD3 PRO A 65 -9.943 9.993 -3.315 1.00 0.97 H new ATOM 1010 N PHE A 66 -7.009 7.266 -5.568 1.00 0.67 N ATOM 1011 CA PHE A 66 -5.807 6.809 -6.267 1.00 0.58 C ATOM 1012 C PHE A 66 -4.533 7.430 -5.671 1.00 0.57 C ATOM 1013 O PHE A 66 -4.561 8.495 -5.054 1.00 0.68 O ATOM 1014 CB PHE A 66 -5.879 7.061 -7.789 1.00 0.59 C ATOM 1015 CG PHE A 66 -6.064 8.499 -8.231 1.00 0.68 C ATOM 1016 CD1 PHE A 66 -4.955 9.363 -8.319 1.00 1.46 C ATOM 1017 CD2 PHE A 66 -7.339 8.964 -8.602 1.00 1.92 C ATOM 1018 CE1 PHE A 66 -5.124 10.686 -8.753 1.00 1.47 C ATOM 1019 CE2 PHE A 66 -7.509 10.289 -9.043 1.00 2.01 C ATOM 1020 CZ PHE A 66 -6.401 11.153 -9.114 1.00 0.91 C ATOM 0 H PHE A 66 -6.792 7.933 -4.827 1.00 0.67 H new ATOM 0 HA PHE A 66 -5.759 5.730 -6.119 1.00 0.58 H new ATOM 0 HB2 PHE A 66 -4.963 6.681 -8.241 1.00 0.59 H new ATOM 0 HB3 PHE A 66 -6.702 6.472 -8.193 1.00 0.59 H new ATOM 0 HD1 PHE A 66 -3.972 9.006 -8.051 1.00 1.46 H new ATOM 0 HD2 PHE A 66 -8.190 8.301 -8.548 1.00 1.92 H new ATOM 0 HE1 PHE A 66 -4.272 11.347 -8.810 1.00 1.47 H new ATOM 0 HE2 PHE A 66 -8.489 10.643 -9.327 1.00 2.01 H new ATOM 0 HZ PHE A 66 -6.531 12.173 -9.445 1.00 0.91 H new ATOM 1030 N LEU A 67 -3.408 6.774 -5.956 1.00 0.52 N ATOM 1031 CA LEU A 67 -2.069 7.349 -6.061 1.00 0.53 C ATOM 1032 C LEU A 67 -1.642 7.387 -7.537 1.00 0.53 C ATOM 1033 O LEU A 67 -2.303 6.814 -8.402 1.00 0.54 O ATOM 1034 CB LEU A 67 -1.089 6.470 -5.257 1.00 0.53 C ATOM 1035 CG LEU A 67 -0.703 7.026 -3.879 1.00 0.61 C ATOM 1036 CD1 LEU A 67 0.313 6.041 -3.281 1.00 0.98 C ATOM 1037 CD2 LEU A 67 -0.037 8.409 -3.968 1.00 0.85 C ATOM 0 H LEU A 67 -3.408 5.769 -6.130 1.00 0.52 H new ATOM 0 HA LEU A 67 -2.065 8.364 -5.664 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -1.534 5.484 -5.123 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -0.181 6.333 -5.844 1.00 0.53 H new ATOM 0 HG LEU A 67 -1.603 7.137 -3.274 1.00 0.61 H new ATOM 0 HD11 LEU A 67 0.622 6.390 -2.296 1.00 0.98 H new ATOM 0 HD12 LEU A 67 -0.145 5.056 -3.189 1.00 0.98 H new ATOM 0 HD13 LEU A 67 1.184 5.976 -3.933 1.00 0.98 H new ATOM 0 HD21 LEU A 67 0.216 8.756 -2.966 1.00 0.85 H new ATOM 0 HD22 LEU A 67 0.871 8.338 -4.567 1.00 0.85 H new ATOM 0 HD23 LEU A 67 -0.725 9.115 -4.434 1.00 0.85 H new ATOM 1049 N GLU A 68 -0.485 7.970 -7.828 1.00 0.57 N ATOM 1050 CA GLU A 68 0.112 7.940 -9.163 1.00 0.59 C ATOM 1051 C GLU A 68 1.626 8.070 -9.089 1.00 0.65 C ATOM 1052 O GLU A 68 2.165 8.450 -8.052 1.00 0.70 O ATOM 1053 CB GLU A 68 -0.527 9.003 -10.058 1.00 0.65 C ATOM 1054 CG GLU A 68 -0.112 10.438 -9.751 1.00 0.84 C ATOM 1055 CD GLU A 68 -1.000 11.325 -10.619 1.00 1.05 C ATOM 1056 OE1 GLU A 68 -2.228 11.341 -10.378 1.00 1.88 O ATOM 1057 OE2 GLU A 68 -0.540 11.816 -11.668 1.00 1.83 O ATOM 0 H GLU A 68 0.071 8.481 -7.142 1.00 0.57 H new ATOM 0 HA GLU A 68 -0.093 6.971 -9.618 1.00 0.59 H new ATOM 0 HB2 GLU A 68 -0.276 8.782 -11.095 1.00 0.65 H new ATOM 0 HB3 GLU A 68 -1.611 8.927 -9.970 1.00 0.65 H new ATOM 0 HG2 GLU A 68 -0.247 10.666 -8.694 1.00 0.84 H new ATOM 0 HG3 GLU A 68 0.942 10.597 -9.980 1.00 0.84 H new ATOM 1064 N VAL A 69 2.301 7.699 -10.175 1.00 0.68 N ATOM 1065 CA VAL A 69 3.750 7.492 -10.198 1.00 0.74 C ATOM 1066 C VAL A 69 4.311 7.887 -11.571 1.00 0.75 C ATOM 1067 O VAL A 69 3.720 7.505 -12.584 1.00 0.73 O ATOM 1068 CB VAL A 69 4.105 6.005 -9.904 1.00 0.84 C ATOM 1069 CG1 VAL A 69 5.616 5.780 -9.728 1.00 0.93 C ATOM 1070 CG2 VAL A 69 3.407 5.428 -8.658 1.00 0.87 C ATOM 0 H VAL A 69 1.853 7.531 -11.076 1.00 0.68 H new ATOM 0 HA VAL A 69 4.195 8.117 -9.423 1.00 0.74 H new ATOM 0 HB VAL A 69 3.742 5.482 -10.789 1.00 0.84 H new ATOM 0 HG11 VAL A 69 5.806 4.726 -9.525 1.00 0.93 H new ATOM 0 HG12 VAL A 69 6.136 6.073 -10.640 1.00 0.93 H new ATOM 0 HG13 VAL A 69 5.979 6.381 -8.894 1.00 0.93 H new ATOM 0 HG21 VAL A 69 3.706 4.389 -8.522 1.00 0.87 H new ATOM 0 HG22 VAL A 69 3.694 6.006 -7.780 1.00 0.87 H new ATOM 0 HG23 VAL A 69 2.326 5.480 -8.790 1.00 0.87 H new ATOM 1080 N PRO A 70 5.434 8.626 -11.646 1.00 0.83 N ATOM 1081 CA PRO A 70 6.037 9.019 -12.914 1.00 0.86 C ATOM 1082 C PRO A 70 6.725 7.835 -13.623 1.00 0.85 C ATOM 1083 O PRO A 70 6.940 6.788 -13.011 1.00 0.89 O ATOM 1084 CB PRO A 70 7.039 10.121 -12.556 1.00 1.00 C ATOM 1085 CG PRO A 70 7.474 9.748 -11.139 1.00 1.05 C ATOM 1086 CD PRO A 70 6.188 9.192 -10.532 1.00 0.93 C ATOM 0 HA PRO A 70 5.284 9.368 -13.620 1.00 0.86 H new ATOM 0 HB2 PRO A 70 7.883 10.138 -13.245 1.00 1.00 H new ATOM 0 HB3 PRO A 70 6.580 11.109 -12.590 1.00 1.00 H new ATOM 0 HG2 PRO A 70 8.274 9.008 -11.142 1.00 1.05 H new ATOM 0 HG3 PRO A 70 7.842 10.613 -10.587 1.00 1.05 H new ATOM 0 HD2 PRO A 70 6.407 8.432 -9.782 1.00 0.93 H new ATOM 0 HD3 PRO A 70 5.619 9.977 -10.034 1.00 0.93 H new ATOM 1094 N PRO A 71 7.085 7.992 -14.909 1.00 0.84 N ATOM 1095 CA PRO A 71 7.856 7.010 -15.657 1.00 0.83 C ATOM 1096 C PRO A 71 9.239 6.766 -15.056 1.00 0.96 C ATOM 1097 O PRO A 71 9.902 7.696 -14.597 1.00 1.08 O ATOM 1098 CB PRO A 71 7.892 7.499 -17.101 1.00 0.85 C ATOM 1099 CG PRO A 71 7.490 8.970 -17.052 1.00 0.93 C ATOM 1100 CD PRO A 71 6.695 9.101 -15.760 1.00 0.89 C ATOM 0 HA PRO A 71 7.387 6.027 -15.611 1.00 0.83 H new ATOM 0 HB2 PRO A 71 8.887 7.380 -17.530 1.00 0.85 H new ATOM 0 HB3 PRO A 71 7.206 6.927 -17.725 1.00 0.85 H new ATOM 0 HG2 PRO A 71 8.364 9.621 -17.049 1.00 0.93 H new ATOM 0 HG3 PRO A 71 6.889 9.247 -17.918 1.00 0.93 H new ATOM 0 HD2 PRO A 71 6.904 10.053 -15.273 1.00 0.89 H new ATOM 0 HD3 PRO A 71 5.624 9.075 -15.962 1.00 0.89 H new ATOM 1108 N LYS A 72 9.657 5.490 -15.062 1.00 0.99 N ATOM 1109 CA LYS A 72 10.978 4.985 -14.628 1.00 1.16 C ATOM 1110 C LYS A 72 11.235 5.101 -13.113 1.00 1.26 C ATOM 1111 O LYS A 72 12.318 4.767 -12.630 1.00 1.41 O ATOM 1112 CB LYS A 72 12.122 5.640 -15.423 1.00 1.26 C ATOM 1113 CG LYS A 72 11.818 5.940 -16.895 1.00 1.10 C ATOM 1114 CD LYS A 72 11.314 4.770 -17.754 1.00 1.23 C ATOM 1115 CE LYS A 72 12.402 3.783 -18.173 1.00 1.95 C ATOM 1116 NZ LYS A 72 11.866 2.823 -19.169 1.00 2.12 N ATOM 0 H LYS A 72 9.051 4.737 -15.388 1.00 0.99 H new ATOM 0 HA LYS A 72 10.957 3.918 -14.848 1.00 1.16 H new ATOM 0 HB2 LYS A 72 12.396 6.573 -14.930 1.00 1.26 H new ATOM 0 HB3 LYS A 72 12.993 4.987 -15.376 1.00 1.26 H new ATOM 0 HG2 LYS A 72 11.072 6.734 -16.932 1.00 1.10 H new ATOM 0 HG3 LYS A 72 12.725 6.333 -17.355 1.00 1.10 H new ATOM 0 HD2 LYS A 72 10.546 4.232 -17.199 1.00 1.23 H new ATOM 0 HD3 LYS A 72 10.839 5.170 -18.649 1.00 1.23 H new ATOM 0 HE2 LYS A 72 13.249 4.322 -18.596 1.00 1.95 H new ATOM 0 HE3 LYS A 72 12.771 3.245 -17.300 1.00 1.95 H new ATOM 0 HZ1 LYS A 72 12.594 2.116 -19.396 1.00 2.12 H new ATOM 0 HZ2 LYS A 72 11.030 2.346 -18.776 1.00 2.12 H new ATOM 0 HZ3 LYS A 72 11.598 3.334 -20.034 1.00 2.12 H new ATOM 1130 N GLY A 73 10.257 5.617 -12.368 1.00 1.19 N ATOM 1131 CA GLY A 73 10.322 5.986 -10.966 1.00 1.22 C ATOM 1132 C GLY A 73 9.636 4.956 -10.085 1.00 0.98 C ATOM 1133 O GLY A 73 8.586 4.408 -10.415 1.00 0.93 O ATOM 0 H GLY A 73 9.335 5.799 -12.764 1.00 1.19 H new ATOM 0 HA2 GLY A 73 11.364 6.088 -10.664 1.00 1.22 H new ATOM 0 HA3 GLY A 73 9.852 6.959 -10.823 1.00 1.22 H new ATOM 1137 N ARG A 74 10.247 4.755 -8.927 1.00 1.24 N ATOM 1138 CA ARG A 74 9.678 4.043 -7.773 1.00 1.21 C ATOM 1139 C ARG A 74 9.292 4.980 -6.627 1.00 1.12 C ATOM 1140 O ARG A 74 9.818 6.087 -6.541 1.00 1.21 O ATOM 1141 CB ARG A 74 10.602 2.908 -7.294 1.00 1.71 C ATOM 1142 CG ARG A 74 11.834 3.354 -6.484 1.00 1.36 C ATOM 1143 CD ARG A 74 12.687 2.150 -6.056 1.00 1.42 C ATOM 1144 NE ARG A 74 13.244 1.466 -7.239 1.00 2.37 N ATOM 1145 CZ ARG A 74 12.830 0.311 -7.757 1.00 3.30 C ATOM 1146 NH1 ARG A 74 12.103 -0.568 -7.107 1.00 3.48 N ATOM 1147 NH2 ARG A 74 13.115 0.023 -9.005 1.00 4.95 N ATOM 0 H ARG A 74 11.192 5.094 -8.750 1.00 1.24 H new ATOM 0 HA ARG A 74 8.750 3.589 -8.121 1.00 1.21 H new ATOM 0 HB2 ARG A 74 10.017 2.220 -6.684 1.00 1.71 H new ATOM 0 HB3 ARG A 74 10.944 2.349 -8.165 1.00 1.71 H new ATOM 0 HG2 ARG A 74 12.438 4.036 -7.083 1.00 1.36 H new ATOM 0 HG3 ARG A 74 11.511 3.906 -5.601 1.00 1.36 H new ATOM 0 HD2 ARG A 74 13.496 2.483 -5.406 1.00 1.42 H new ATOM 0 HD3 ARG A 74 12.080 1.453 -5.478 1.00 1.42 H new ATOM 0 HE ARG A 74 14.025 1.924 -7.708 1.00 2.37 H new ATOM 0 HH11 ARG A 74 11.821 -0.385 -6.144 1.00 3.48 H new ATOM 0 HH12 ARG A 74 11.820 -1.434 -7.565 1.00 3.48 H new ATOM 0 HH21 ARG A 74 13.650 0.682 -9.571 1.00 4.95 H new ATOM 0 HH22 ARG A 74 12.802 -0.860 -9.409 1.00 4.95 H new ATOM 1161 N VAL A 75 8.381 4.514 -5.776 1.00 1.05 N ATOM 1162 CA VAL A 75 7.943 5.158 -4.532 1.00 1.04 C ATOM 1163 C VAL A 75 7.557 4.087 -3.505 1.00 1.00 C ATOM 1164 O VAL A 75 6.745 3.201 -3.773 1.00 1.44 O ATOM 1165 CB VAL A 75 6.769 6.154 -4.725 1.00 1.23 C ATOM 1166 CG1 VAL A 75 7.190 7.422 -5.490 1.00 1.43 C ATOM 1167 CG2 VAL A 75 5.535 5.552 -5.425 1.00 1.34 C ATOM 0 H VAL A 75 7.900 3.630 -5.941 1.00 1.05 H new ATOM 0 HA VAL A 75 8.787 5.747 -4.173 1.00 1.04 H new ATOM 0 HB VAL A 75 6.486 6.412 -3.705 1.00 1.23 H new ATOM 0 HG11 VAL A 75 6.331 8.084 -5.597 1.00 1.43 H new ATOM 0 HG12 VAL A 75 7.977 7.935 -4.938 1.00 1.43 H new ATOM 0 HG13 VAL A 75 7.560 7.145 -6.477 1.00 1.43 H new ATOM 0 HG21 VAL A 75 4.762 6.315 -5.520 1.00 1.34 H new ATOM 0 HG22 VAL A 75 5.817 5.196 -6.416 1.00 1.34 H new ATOM 0 HG23 VAL A 75 5.152 4.719 -4.835 1.00 1.34 H new ATOM 1177 N GLU A 76 8.162 4.152 -2.324 1.00 1.08 N ATOM 1178 CA GLU A 76 7.928 3.202 -1.242 1.00 1.05 C ATOM 1179 C GLU A 76 6.680 3.574 -0.431 1.00 1.03 C ATOM 1180 O GLU A 76 6.582 4.684 0.094 1.00 1.08 O ATOM 1181 CB GLU A 76 9.137 3.149 -0.299 1.00 1.26 C ATOM 1182 CG GLU A 76 10.462 2.639 -0.892 1.00 1.80 C ATOM 1183 CD GLU A 76 11.078 3.494 -2.002 1.00 2.62 C ATOM 1184 OE1 GLU A 76 10.854 4.723 -1.991 1.00 2.96 O ATOM 1185 OE2 GLU A 76 11.762 2.892 -2.866 1.00 4.18 O ATOM 0 H GLU A 76 8.839 4.877 -2.088 1.00 1.08 H new ATOM 0 HA GLU A 76 7.774 2.224 -1.699 1.00 1.05 H new ATOM 0 HB2 GLU A 76 9.305 4.152 0.093 1.00 1.26 H new ATOM 0 HB3 GLU A 76 8.878 2.514 0.549 1.00 1.26 H new ATOM 0 HG2 GLU A 76 11.188 2.552 -0.084 1.00 1.80 H new ATOM 0 HG3 GLU A 76 10.298 1.635 -1.284 1.00 1.80 H new ATOM 1192 N LEU A 77 5.753 2.625 -0.243 1.00 1.03 N ATOM 1193 CA LEU A 77 4.671 2.754 0.738 1.00 1.00 C ATOM 1194 C LEU A 77 5.229 2.542 2.157 1.00 1.04 C ATOM 1195 O LEU A 77 6.089 1.703 2.420 1.00 1.54 O ATOM 1196 CB LEU A 77 3.475 1.831 0.412 1.00 0.99 C ATOM 1197 CG LEU A 77 2.476 2.400 -0.619 1.00 0.99 C ATOM 1198 CD1 LEU A 77 3.055 2.509 -2.038 1.00 0.93 C ATOM 1199 CD2 LEU A 77 1.201 1.540 -0.649 1.00 1.02 C ATOM 0 H LEU A 77 5.733 1.749 -0.766 1.00 1.03 H new ATOM 0 HA LEU A 77 4.269 3.766 0.687 1.00 1.00 H new ATOM 0 HB2 LEU A 77 3.859 0.882 0.038 1.00 0.99 H new ATOM 0 HB3 LEU A 77 2.938 1.616 1.336 1.00 0.99 H new ATOM 0 HG LEU A 77 2.245 3.414 -0.293 1.00 0.99 H new ATOM 0 HD11 LEU A 77 2.299 2.916 -2.709 1.00 0.93 H new ATOM 0 HD12 LEU A 77 3.923 3.168 -2.027 1.00 0.93 H new ATOM 0 HD13 LEU A 77 3.355 1.520 -2.386 1.00 0.93 H new ATOM 0 HD21 LEU A 77 0.503 1.950 -1.379 1.00 1.02 H new ATOM 0 HD22 LEU A 77 1.458 0.518 -0.927 1.00 1.02 H new ATOM 0 HD23 LEU A 77 0.737 1.542 0.337 1.00 1.02 H new ATOM 1211 N LYS A 78 4.727 3.353 3.088 1.00 1.36 N ATOM 1212 CA LYS A 78 5.413 3.746 4.321 1.00 1.18 C ATOM 1213 C LYS A 78 4.423 4.411 5.302 1.00 1.05 C ATOM 1214 O LYS A 78 3.513 5.101 4.837 1.00 0.96 O ATOM 1215 CB LYS A 78 6.614 4.655 3.949 1.00 1.10 C ATOM 1216 CG LYS A 78 6.252 5.911 3.118 1.00 1.10 C ATOM 1217 CD LYS A 78 7.452 6.495 2.352 1.00 1.45 C ATOM 1218 CE LYS A 78 8.287 7.505 3.145 1.00 1.82 C ATOM 1219 NZ LYS A 78 7.617 8.828 3.220 1.00 3.24 N ATOM 0 H LYS A 78 3.800 3.769 3.003 1.00 1.36 H new ATOM 0 HA LYS A 78 5.805 2.872 4.842 1.00 1.18 H new ATOM 0 HB2 LYS A 78 7.106 4.975 4.867 1.00 1.10 H new ATOM 0 HB3 LYS A 78 7.338 4.063 3.389 1.00 1.10 H new ATOM 0 HG2 LYS A 78 5.465 5.655 2.408 1.00 1.10 H new ATOM 0 HG3 LYS A 78 5.846 6.674 3.782 1.00 1.10 H new ATOM 0 HD2 LYS A 78 8.099 5.676 2.038 1.00 1.45 H new ATOM 0 HD3 LYS A 78 7.087 6.978 1.446 1.00 1.45 H new ATOM 0 HE2 LYS A 78 8.458 7.125 4.152 1.00 1.82 H new ATOM 0 HE3 LYS A 78 9.265 7.618 2.676 1.00 1.82 H new ATOM 0 HZ1 LYS A 78 8.334 9.575 3.314 1.00 3.24 H new ATOM 0 HZ2 LYS A 78 7.064 8.986 2.354 1.00 3.24 H new ATOM 0 HZ3 LYS A 78 6.983 8.850 4.044 1.00 3.24 H new ATOM 1233 N PRO A 79 4.577 4.237 6.634 1.00 1.20 N ATOM 1234 CA PRO A 79 3.596 4.700 7.622 1.00 1.31 C ATOM 1235 C PRO A 79 3.483 6.229 7.679 1.00 1.23 C ATOM 1236 O PRO A 79 2.373 6.745 7.739 1.00 1.36 O ATOM 1237 CB PRO A 79 4.032 4.091 8.959 1.00 1.53 C ATOM 1238 CG PRO A 79 5.530 3.840 8.778 1.00 1.57 C ATOM 1239 CD PRO A 79 5.645 3.499 7.294 1.00 1.41 C ATOM 0 HA PRO A 79 2.591 4.376 7.352 1.00 1.31 H new ATOM 0 HB2 PRO A 79 3.838 4.770 9.789 1.00 1.53 H new ATOM 0 HB3 PRO A 79 3.495 3.167 9.171 1.00 1.53 H new ATOM 0 HG2 PRO A 79 6.121 4.719 9.037 1.00 1.57 H new ATOM 0 HG3 PRO A 79 5.881 3.023 9.408 1.00 1.57 H new ATOM 0 HD2 PRO A 79 6.620 3.787 6.901 1.00 1.41 H new ATOM 0 HD3 PRO A 79 5.539 2.427 7.130 1.00 1.41 H new ATOM 1247 N GLY A 80 4.601 6.958 7.575 1.00 1.16 N ATOM 1248 CA GLY A 80 4.595 8.396 7.283 1.00 1.20 C ATOM 1249 C GLY A 80 4.572 8.607 5.773 1.00 0.97 C ATOM 1250 O GLY A 80 5.612 8.921 5.185 1.00 1.17 O ATOM 0 H GLY A 80 5.536 6.567 7.691 1.00 1.16 H new ATOM 0 HA2 GLY A 80 3.725 8.867 7.740 1.00 1.20 H new ATOM 0 HA3 GLY A 80 5.477 8.869 7.714 1.00 1.20 H new ATOM 1254 N GLY A 81 3.430 8.343 5.129 1.00 0.80 N ATOM 1255 CA GLY A 81 3.292 8.375 3.667 1.00 0.71 C ATOM 1256 C GLY A 81 1.983 7.805 3.135 1.00 0.62 C ATOM 1257 O GLY A 81 1.012 8.528 2.995 1.00 0.73 O ATOM 0 H GLY A 81 2.566 8.098 5.612 1.00 0.80 H new ATOM 0 HA2 GLY A 81 3.386 9.407 3.330 1.00 0.71 H new ATOM 0 HA3 GLY A 81 4.120 7.819 3.226 1.00 0.71 H new ATOM 1261 N TYR A 82 1.987 6.528 2.761 1.00 0.54 N ATOM 1262 CA TYR A 82 0.912 5.857 2.014 1.00 0.51 C ATOM 1263 C TYR A 82 0.873 4.364 2.352 1.00 0.55 C ATOM 1264 O TYR A 82 1.922 3.754 2.565 1.00 0.63 O ATOM 1265 CB TYR A 82 1.115 6.049 0.503 1.00 0.53 C ATOM 1266 CG TYR A 82 1.207 7.495 0.064 1.00 0.53 C ATOM 1267 CD1 TYR A 82 0.038 8.250 -0.149 1.00 1.74 C ATOM 1268 CD2 TYR A 82 2.472 8.091 -0.094 1.00 1.65 C ATOM 1269 CE1 TYR A 82 0.130 9.611 -0.496 1.00 1.78 C ATOM 1270 CE2 TYR A 82 2.572 9.453 -0.427 1.00 1.66 C ATOM 1271 CZ TYR A 82 1.400 10.218 -0.633 1.00 0.64 C ATOM 1272 OH TYR A 82 1.490 11.530 -0.978 1.00 0.75 O ATOM 0 H TYR A 82 2.765 5.904 2.975 1.00 0.54 H new ATOM 0 HA TYR A 82 -0.039 6.304 2.303 1.00 0.51 H new ATOM 0 HB2 TYR A 82 2.026 5.532 0.202 1.00 0.53 H new ATOM 0 HB3 TYR A 82 0.289 5.573 -0.026 1.00 0.53 H new ATOM 0 HD1 TYR A 82 -0.931 7.784 -0.046 1.00 1.74 H new ATOM 0 HD2 TYR A 82 3.367 7.501 0.041 1.00 1.65 H new ATOM 0 HE1 TYR A 82 -0.767 10.190 -0.657 1.00 1.78 H new ATOM 0 HE2 TYR A 82 3.543 9.915 -0.526 1.00 1.66 H new ATOM 0 HH TYR A 82 2.433 11.791 -1.028 1.00 0.75 H new ATOM 1282 N HIS A 83 -0.317 3.773 2.422 1.00 0.55 N ATOM 1283 CA HIS A 83 -0.516 2.440 3.000 1.00 0.70 C ATOM 1284 C HIS A 83 -1.901 1.864 2.662 1.00 0.73 C ATOM 1285 O HIS A 83 -2.887 2.596 2.583 1.00 0.88 O ATOM 1286 CB HIS A 83 -0.268 2.494 4.521 1.00 0.83 C ATOM 1287 CG HIS A 83 -1.088 3.525 5.262 1.00 0.89 C ATOM 1288 ND1 HIS A 83 -0.816 4.874 5.384 1.00 0.97 N ATOM 1289 CD2 HIS A 83 -2.243 3.288 5.958 1.00 1.11 C ATOM 1290 CE1 HIS A 83 -1.789 5.426 6.124 1.00 1.21 C ATOM 1291 NE2 HIS A 83 -2.674 4.495 6.511 1.00 1.26 N ATOM 0 H HIS A 83 -1.176 4.204 2.079 1.00 0.55 H new ATOM 0 HA HIS A 83 0.208 1.758 2.554 1.00 0.70 H new ATOM 0 HB2 HIS A 83 -0.478 1.512 4.944 1.00 0.83 H new ATOM 0 HB3 HIS A 83 0.789 2.697 4.695 1.00 0.83 H new ATOM 0 HD2 HIS A 83 -2.735 2.332 6.061 1.00 1.11 H new ATOM 0 HE1 HIS A 83 -1.851 6.475 6.374 1.00 1.21 H new ATOM 0 HE2 HIS A 83 -3.498 4.640 7.094 1.00 1.26 H new ATOM 1299 N PHE A 84 -1.988 0.548 2.460 1.00 0.64 N ATOM 1300 CA PHE A 84 -3.245 -0.113 2.114 1.00 0.58 C ATOM 1301 C PHE A 84 -3.935 -0.598 3.379 1.00 0.67 C ATOM 1302 O PHE A 84 -3.400 -1.461 4.073 1.00 0.86 O ATOM 1303 CB PHE A 84 -2.978 -1.310 1.202 1.00 0.59 C ATOM 1304 CG PHE A 84 -2.610 -0.962 -0.223 1.00 0.56 C ATOM 1305 CD1 PHE A 84 -3.590 -0.420 -1.075 1.00 1.75 C ATOM 1306 CD2 PHE A 84 -1.319 -1.230 -0.715 1.00 1.76 C ATOM 1307 CE1 PHE A 84 -3.294 -0.210 -2.430 1.00 1.66 C ATOM 1308 CE2 PHE A 84 -1.014 -0.969 -2.062 1.00 1.86 C ATOM 1309 CZ PHE A 84 -2.002 -0.462 -2.920 1.00 0.63 C ATOM 0 H PHE A 84 -1.192 -0.086 2.532 1.00 0.64 H new ATOM 0 HA PHE A 84 -3.884 0.602 1.595 1.00 0.58 H new ATOM 0 HB2 PHE A 84 -2.172 -1.904 1.634 1.00 0.59 H new ATOM 0 HB3 PHE A 84 -3.867 -1.941 1.187 1.00 0.59 H new ATOM 0 HD1 PHE A 84 -4.566 -0.167 -0.687 1.00 1.75 H new ATOM 0 HD2 PHE A 84 -0.564 -1.636 -0.058 1.00 1.76 H new ATOM 0 HE1 PHE A 84 -4.063 0.147 -3.099 1.00 1.66 H new ATOM 0 HE2 PHE A 84 -0.019 -1.159 -2.437 1.00 1.86 H new ATOM 0 HZ PHE A 84 -1.769 -0.266 -3.956 1.00 0.63 H new ATOM 1319 N MET A 85 -5.132 -0.088 3.648 1.00 0.62 N ATOM 1320 CA MET A 85 -5.999 -0.609 4.702 1.00 0.71 C ATOM 1321 C MET A 85 -6.709 -1.861 4.195 1.00 0.71 C ATOM 1322 O MET A 85 -7.494 -1.789 3.252 1.00 0.83 O ATOM 1323 CB MET A 85 -7.005 0.464 5.148 1.00 0.78 C ATOM 1324 CG MET A 85 -6.362 1.628 5.915 1.00 1.13 C ATOM 1325 SD MET A 85 -6.192 1.435 7.710 1.00 1.38 S ATOM 1326 CE MET A 85 -4.873 0.213 7.809 1.00 1.11 C ATOM 0 H MET A 85 -5.531 0.701 3.140 1.00 0.62 H new ATOM 0 HA MET A 85 -5.399 -0.876 5.572 1.00 0.71 H new ATOM 0 HB2 MET A 85 -7.517 0.857 4.270 1.00 0.78 H new ATOM 0 HB3 MET A 85 -7.764 -0.000 5.778 1.00 0.78 H new ATOM 0 HG2 MET A 85 -5.370 1.803 5.497 1.00 1.13 H new ATOM 0 HG3 MET A 85 -6.950 2.526 5.725 1.00 1.13 H new ATOM 0 HE1 MET A 85 -4.302 0.367 8.725 1.00 1.11 H new ATOM 0 HE2 MET A 85 -5.304 -0.788 7.814 1.00 1.11 H new ATOM 0 HE3 MET A 85 -4.213 0.320 6.948 1.00 1.11 H new ATOM 1336 N LEU A 86 -6.410 -2.996 4.824 1.00 0.64 N ATOM 1337 CA LEU A 86 -7.074 -4.281 4.622 1.00 0.67 C ATOM 1338 C LEU A 86 -8.083 -4.475 5.759 1.00 0.65 C ATOM 1339 O LEU A 86 -7.700 -4.394 6.927 1.00 0.77 O ATOM 1340 CB LEU A 86 -6.031 -5.419 4.617 1.00 0.75 C ATOM 1341 CG LEU A 86 -4.820 -5.232 3.676 1.00 0.80 C ATOM 1342 CD1 LEU A 86 -3.938 -6.488 3.714 1.00 1.48 C ATOM 1343 CD2 LEU A 86 -5.243 -4.943 2.232 1.00 1.37 C ATOM 0 H LEU A 86 -5.665 -3.047 5.519 1.00 0.64 H new ATOM 0 HA LEU A 86 -7.590 -4.299 3.662 1.00 0.67 H new ATOM 0 HB2 LEU A 86 -5.658 -5.546 5.633 1.00 0.75 H new ATOM 0 HB3 LEU A 86 -6.536 -6.345 4.344 1.00 0.75 H new ATOM 0 HG LEU A 86 -4.260 -4.367 4.032 1.00 0.80 H new ATOM 0 HD11 LEU A 86 -3.085 -6.354 3.049 1.00 1.48 H new ATOM 0 HD12 LEU A 86 -3.583 -6.653 4.731 1.00 1.48 H new ATOM 0 HD13 LEU A 86 -4.519 -7.351 3.388 1.00 1.48 H new ATOM 0 HD21 LEU A 86 -4.356 -4.820 1.611 1.00 1.37 H new ATOM 0 HD22 LEU A 86 -5.838 -5.774 1.854 1.00 1.37 H new ATOM 0 HD23 LEU A 86 -5.836 -4.029 2.203 1.00 1.37 H new ATOM 1355 N LEU A 87 -9.352 -4.726 5.429 1.00 0.70 N ATOM 1356 CA LEU A 87 -10.438 -5.002 6.376 1.00 0.70 C ATOM 1357 C LEU A 87 -10.996 -6.395 6.043 1.00 0.70 C ATOM 1358 O LEU A 87 -11.461 -6.631 4.926 1.00 0.98 O ATOM 1359 CB LEU A 87 -11.558 -3.941 6.246 1.00 0.83 C ATOM 1360 CG LEU A 87 -11.311 -2.486 6.700 1.00 1.04 C ATOM 1361 CD1 LEU A 87 -11.038 -2.403 8.205 1.00 1.34 C ATOM 1362 CD2 LEU A 87 -10.198 -1.763 5.927 1.00 2.73 C ATOM 0 H LEU A 87 -9.665 -4.744 4.458 1.00 0.70 H new ATOM 0 HA LEU A 87 -10.064 -4.967 7.399 1.00 0.70 H new ATOM 0 HB2 LEU A 87 -11.849 -3.906 5.196 1.00 0.83 H new ATOM 0 HB3 LEU A 87 -12.419 -4.311 6.803 1.00 0.83 H new ATOM 0 HG LEU A 87 -12.240 -1.964 6.469 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -10.869 -1.364 8.487 1.00 1.34 H new ATOM 0 HD12 LEU A 87 -11.896 -2.793 8.752 1.00 1.34 H new ATOM 0 HD13 LEU A 87 -10.154 -2.993 8.448 1.00 1.34 H new ATOM 0 HD21 LEU A 87 -10.090 -0.748 6.309 1.00 2.73 H new ATOM 0 HD22 LEU A 87 -9.258 -2.300 6.055 1.00 2.73 H new ATOM 0 HD23 LEU A 87 -10.455 -1.727 4.868 1.00 2.73 H new ATOM 1374 N GLY A 88 -10.949 -7.328 6.999 1.00 0.61 N ATOM 1375 CA GLY A 88 -11.268 -8.739 6.750 1.00 0.77 C ATOM 1376 C GLY A 88 -10.033 -9.481 6.238 1.00 0.89 C ATOM 1377 O GLY A 88 -9.816 -9.553 5.027 1.00 1.49 O ATOM 0 H GLY A 88 -10.690 -7.128 7.965 1.00 0.61 H new ATOM 0 HA2 GLY A 88 -11.626 -9.205 7.668 1.00 0.77 H new ATOM 0 HA3 GLY A 88 -12.074 -8.813 6.020 1.00 0.77 H new ATOM 1381 N LEU A 89 -9.232 -10.036 7.153 1.00 0.72 N ATOM 1382 CA LEU A 89 -8.077 -10.883 6.832 1.00 0.73 C ATOM 1383 C LEU A 89 -8.530 -12.349 6.750 1.00 0.76 C ATOM 1384 O LEU A 89 -9.104 -12.888 7.691 1.00 0.86 O ATOM 1385 CB LEU A 89 -6.962 -10.689 7.881 1.00 0.80 C ATOM 1386 CG LEU A 89 -6.526 -9.229 8.147 1.00 0.68 C ATOM 1387 CD1 LEU A 89 -5.353 -9.220 9.137 1.00 0.90 C ATOM 1388 CD2 LEU A 89 -6.120 -8.481 6.865 1.00 0.79 C ATOM 0 H LEU A 89 -9.370 -9.907 8.155 1.00 0.72 H new ATOM 0 HA LEU A 89 -7.666 -10.595 5.864 1.00 0.73 H new ATOM 0 HB2 LEU A 89 -7.297 -11.124 8.823 1.00 0.80 H new ATOM 0 HB3 LEU A 89 -6.087 -11.256 7.561 1.00 0.80 H new ATOM 0 HG LEU A 89 -7.388 -8.707 8.563 1.00 0.68 H new ATOM 0 HD11 LEU A 89 -5.044 -8.192 9.326 1.00 0.90 H new ATOM 0 HD12 LEU A 89 -5.664 -9.683 10.073 1.00 0.90 H new ATOM 0 HD13 LEU A 89 -4.517 -9.778 8.716 1.00 0.90 H new ATOM 0 HD21 LEU A 89 -5.824 -7.462 7.116 1.00 0.79 H new ATOM 0 HD22 LEU A 89 -5.283 -8.996 6.393 1.00 0.79 H new ATOM 0 HD23 LEU A 89 -6.965 -8.454 6.176 1.00 0.79 H new ATOM 1400 N LYS A 90 -8.302 -13.019 5.619 1.00 0.83 N ATOM 1401 CA LYS A 90 -8.902 -14.335 5.334 1.00 0.81 C ATOM 1402 C LYS A 90 -8.199 -15.509 6.046 1.00 0.92 C ATOM 1403 O LYS A 90 -8.718 -16.626 6.043 1.00 1.05 O ATOM 1404 CB LYS A 90 -9.010 -14.521 3.806 1.00 0.96 C ATOM 1405 CG LYS A 90 -10.025 -13.516 3.231 1.00 0.78 C ATOM 1406 CD LYS A 90 -10.162 -13.558 1.705 1.00 1.20 C ATOM 1407 CE LYS A 90 -11.380 -12.720 1.304 1.00 1.27 C ATOM 1408 NZ LYS A 90 -11.365 -12.326 -0.122 1.00 1.73 N ATOM 0 H LYS A 90 -7.699 -12.671 4.874 1.00 0.83 H new ATOM 0 HA LYS A 90 -9.906 -14.349 5.759 1.00 0.81 H new ATOM 0 HB2 LYS A 90 -8.035 -14.373 3.342 1.00 0.96 H new ATOM 0 HB3 LYS A 90 -9.322 -15.540 3.575 1.00 0.96 H new ATOM 0 HG2 LYS A 90 -11.001 -13.708 3.677 1.00 0.78 H new ATOM 0 HG3 LYS A 90 -9.731 -12.510 3.530 1.00 0.78 H new ATOM 0 HD2 LYS A 90 -9.261 -13.167 1.233 1.00 1.20 H new ATOM 0 HD3 LYS A 90 -10.280 -14.586 1.363 1.00 1.20 H new ATOM 0 HE2 LYS A 90 -12.288 -13.287 1.509 1.00 1.27 H new ATOM 0 HE3 LYS A 90 -11.417 -11.823 1.923 1.00 1.27 H new ATOM 0 HZ1 LYS A 90 -12.237 -11.805 -0.347 1.00 1.73 H new ATOM 0 HZ2 LYS A 90 -10.541 -11.718 -0.306 1.00 1.73 H new ATOM 0 HZ3 LYS A 90 -11.307 -13.177 -0.717 1.00 1.73 H new ATOM 1422 N ARG A 91 -7.025 -15.278 6.637 1.00 1.09 N ATOM 1423 CA ARG A 91 -6.353 -16.069 7.672 1.00 1.35 C ATOM 1424 C ARG A 91 -5.642 -15.096 8.635 1.00 1.23 C ATOM 1425 O ARG A 91 -5.367 -13.969 8.215 1.00 1.15 O ATOM 1426 CB ARG A 91 -5.283 -16.990 7.048 1.00 1.76 C ATOM 1427 CG ARG A 91 -5.873 -18.113 6.188 1.00 2.78 C ATOM 1428 CD ARG A 91 -5.861 -17.830 4.679 1.00 2.61 C ATOM 1429 NE ARG A 91 -6.317 -19.003 3.903 1.00 3.62 N ATOM 1430 CZ ARG A 91 -7.558 -19.480 3.813 1.00 5.30 C ATOM 1431 NH1 ARG A 91 -8.574 -18.938 4.453 1.00 6.48 N ATOM 1432 NH2 ARG A 91 -7.804 -20.530 3.059 1.00 6.26 N ATOM 0 H ARG A 91 -6.471 -14.461 6.381 1.00 1.09 H new ATOM 0 HA ARG A 91 -7.093 -16.679 8.189 1.00 1.35 H new ATOM 0 HB2 ARG A 91 -4.610 -16.390 6.436 1.00 1.76 H new ATOM 0 HB3 ARG A 91 -4.683 -17.430 7.845 1.00 1.76 H new ATOM 0 HG2 ARG A 91 -5.316 -19.030 6.378 1.00 2.78 H new ATOM 0 HG3 ARG A 91 -6.901 -18.294 6.503 1.00 2.78 H new ATOM 0 HD2 ARG A 91 -6.504 -16.977 4.463 1.00 2.61 H new ATOM 0 HD3 ARG A 91 -4.853 -17.556 4.367 1.00 2.61 H new ATOM 0 HE ARG A 91 -5.601 -19.504 3.377 1.00 3.62 H new ATOM 0 HH11 ARG A 91 -8.426 -18.121 5.045 1.00 6.48 H new ATOM 0 HH12 ARG A 91 -9.508 -19.335 4.356 1.00 6.48 H new ATOM 0 HH21 ARG A 91 -7.045 -20.977 2.545 1.00 6.26 H new ATOM 0 HH22 ARG A 91 -8.753 -20.896 2.989 1.00 6.26 H new ATOM 1446 N PRO A 92 -5.261 -15.512 9.856 1.00 1.30 N ATOM 1447 CA PRO A 92 -4.061 -14.964 10.460 1.00 1.18 C ATOM 1448 C PRO A 92 -2.883 -15.376 9.573 1.00 1.26 C ATOM 1449 O PRO A 92 -2.751 -16.545 9.212 1.00 1.58 O ATOM 1450 CB PRO A 92 -3.981 -15.570 11.859 1.00 1.36 C ATOM 1451 CG PRO A 92 -4.681 -16.923 11.698 1.00 1.54 C ATOM 1452 CD PRO A 92 -5.722 -16.678 10.598 1.00 1.56 C ATOM 0 HA PRO A 92 -4.056 -13.877 10.543 1.00 1.18 H new ATOM 0 HB2 PRO A 92 -2.948 -15.688 12.188 1.00 1.36 H new ATOM 0 HB3 PRO A 92 -4.481 -14.944 12.598 1.00 1.36 H new ATOM 0 HG2 PRO A 92 -3.977 -17.705 11.413 1.00 1.54 H new ATOM 0 HG3 PRO A 92 -5.152 -17.241 12.628 1.00 1.54 H new ATOM 0 HD2 PRO A 92 -5.810 -17.546 9.944 1.00 1.56 H new ATOM 0 HD3 PRO A 92 -6.708 -16.501 11.027 1.00 1.56 H new ATOM 1460 N LEU A 93 -2.063 -14.404 9.185 1.00 1.30 N ATOM 1461 CA LEU A 93 -0.866 -14.641 8.377 1.00 1.62 C ATOM 1462 C LEU A 93 0.245 -15.189 9.276 1.00 1.63 C ATOM 1463 O LEU A 93 0.277 -14.906 10.473 1.00 1.89 O ATOM 1464 CB LEU A 93 -0.421 -13.347 7.663 1.00 1.86 C ATOM 1465 CG LEU A 93 -1.422 -12.809 6.614 1.00 1.93 C ATOM 1466 CD1 LEU A 93 -2.446 -11.835 7.224 1.00 1.80 C ATOM 1467 CD2 LEU A 93 -0.659 -12.080 5.503 1.00 2.76 C ATOM 0 H LEU A 93 -2.209 -13.423 9.423 1.00 1.30 H new ATOM 0 HA LEU A 93 -1.090 -15.375 7.603 1.00 1.62 H new ATOM 0 HB2 LEU A 93 -0.252 -12.574 8.413 1.00 1.86 H new ATOM 0 HB3 LEU A 93 0.535 -13.530 7.172 1.00 1.86 H new ATOM 0 HG LEU A 93 -1.964 -13.668 6.219 1.00 1.93 H new ATOM 0 HD11 LEU A 93 -3.125 -11.487 6.446 1.00 1.80 H new ATOM 0 HD12 LEU A 93 -3.015 -12.345 8.001 1.00 1.80 H new ATOM 0 HD13 LEU A 93 -1.924 -10.982 7.658 1.00 1.80 H new ATOM 0 HD21 LEU A 93 -1.366 -11.701 4.764 1.00 2.76 H new ATOM 0 HD22 LEU A 93 -0.100 -11.248 5.931 1.00 2.76 H new ATOM 0 HD23 LEU A 93 0.033 -12.772 5.022 1.00 2.76 H new ATOM 1479 N LYS A 94 1.205 -15.919 8.712 1.00 1.54 N ATOM 1480 CA LYS A 94 2.356 -16.430 9.466 1.00 1.58 C ATOM 1481 C LYS A 94 3.667 -16.281 8.680 1.00 1.88 C ATOM 1482 O LYS A 94 3.811 -16.762 7.553 1.00 2.50 O ATOM 1483 CB LYS A 94 2.056 -17.854 9.996 1.00 1.79 C ATOM 1484 CG LYS A 94 2.118 -18.987 8.956 1.00 2.31 C ATOM 1485 CD LYS A 94 3.516 -19.636 8.906 1.00 2.96 C ATOM 1486 CE LYS A 94 3.822 -20.368 7.593 1.00 3.87 C ATOM 1487 NZ LYS A 94 3.768 -19.446 6.439 1.00 4.27 N ATOM 0 H LYS A 94 1.211 -16.174 7.724 1.00 1.54 H new ATOM 0 HA LYS A 94 2.517 -15.815 10.352 1.00 1.58 H new ATOM 0 HB2 LYS A 94 2.764 -18.080 10.793 1.00 1.79 H new ATOM 0 HB3 LYS A 94 1.062 -17.852 10.443 1.00 1.79 H new ATOM 0 HG2 LYS A 94 1.373 -19.745 9.198 1.00 2.31 H new ATOM 0 HG3 LYS A 94 1.864 -18.593 7.972 1.00 2.31 H new ATOM 0 HD2 LYS A 94 4.269 -18.863 9.062 1.00 2.96 H new ATOM 0 HD3 LYS A 94 3.607 -20.341 9.732 1.00 2.96 H new ATOM 0 HE2 LYS A 94 4.810 -20.825 7.650 1.00 3.87 H new ATOM 0 HE3 LYS A 94 3.105 -21.176 7.449 1.00 3.87 H new ATOM 0 HZ1 LYS A 94 4.570 -19.637 5.804 1.00 4.27 H new ATOM 0 HZ2 LYS A 94 2.876 -19.588 5.923 1.00 4.27 H new ATOM 0 HZ3 LYS A 94 3.820 -18.464 6.777 1.00 4.27 H new ATOM 1501 N ALA A 95 4.656 -15.621 9.300 1.00 1.73 N ATOM 1502 CA ALA A 95 5.968 -15.349 8.699 1.00 1.91 C ATOM 1503 C ALA A 95 6.586 -16.606 8.054 1.00 1.94 C ATOM 1504 O ALA A 95 6.555 -17.693 8.637 1.00 1.93 O ATOM 1505 CB ALA A 95 6.879 -14.733 9.768 1.00 2.01 C ATOM 0 H ALA A 95 4.564 -15.256 10.248 1.00 1.73 H new ATOM 0 HA ALA A 95 5.848 -14.638 7.882 1.00 1.91 H new ATOM 0 HB1 ALA A 95 7.858 -14.525 9.336 1.00 2.01 H new ATOM 0 HB2 ALA A 95 6.438 -13.805 10.131 1.00 2.01 H new ATOM 0 HB3 ALA A 95 6.989 -15.431 10.598 1.00 2.01 H new ATOM 1511 N GLY A 96 7.099 -16.459 6.826 1.00 2.10 N ATOM 1512 CA GLY A 96 7.490 -17.587 5.973 1.00 2.26 C ATOM 1513 C GLY A 96 6.384 -18.034 5.011 1.00 2.20 C ATOM 1514 O GLY A 96 6.179 -19.235 4.855 1.00 2.61 O ATOM 0 H GLY A 96 7.255 -15.548 6.394 1.00 2.10 H new ATOM 0 HA2 GLY A 96 8.372 -17.308 5.397 1.00 2.26 H new ATOM 0 HA3 GLY A 96 7.775 -18.429 6.604 1.00 2.26 H new ATOM 1518 N GLU A 97 5.656 -17.095 4.405 1.00 1.99 N ATOM 1519 CA GLU A 97 4.900 -17.239 3.176 1.00 1.94 C ATOM 1520 C GLU A 97 4.917 -15.896 2.442 1.00 1.50 C ATOM 1521 O GLU A 97 5.292 -14.856 3.003 1.00 1.30 O ATOM 1522 CB GLU A 97 3.474 -17.699 3.473 1.00 2.23 C ATOM 1523 CG GLU A 97 2.626 -16.755 4.353 1.00 1.91 C ATOM 1524 CD GLU A 97 1.579 -17.452 5.238 1.00 1.66 C ATOM 1525 OE1 GLU A 97 1.494 -18.703 5.238 1.00 2.57 O ATOM 1526 OE2 GLU A 97 0.937 -16.732 6.035 1.00 2.12 O ATOM 0 H GLU A 97 5.579 -16.154 4.791 1.00 1.99 H new ATOM 0 HA GLU A 97 5.352 -18.001 2.542 1.00 1.94 H new ATOM 0 HB2 GLU A 97 2.955 -17.843 2.525 1.00 2.23 H new ATOM 0 HB3 GLU A 97 3.522 -18.672 3.961 1.00 2.23 H new ATOM 0 HG2 GLU A 97 3.296 -16.181 4.993 1.00 1.91 H new ATOM 0 HG3 GLU A 97 2.115 -16.042 3.706 1.00 1.91 H new ATOM 1533 N GLU A 98 4.528 -15.933 1.179 1.00 1.53 N ATOM 1534 CA GLU A 98 4.349 -14.788 0.306 1.00 1.29 C ATOM 1535 C GLU A 98 2.872 -14.393 0.202 1.00 1.08 C ATOM 1536 O GLU A 98 1.966 -15.194 0.412 1.00 1.22 O ATOM 1537 CB GLU A 98 4.935 -15.079 -1.087 1.00 1.61 C ATOM 1538 CG GLU A 98 4.369 -16.317 -1.810 1.00 2.93 C ATOM 1539 CD GLU A 98 5.115 -17.594 -1.423 1.00 3.27 C ATOM 1540 OE1 GLU A 98 4.788 -18.175 -0.362 1.00 3.96 O ATOM 1541 OE2 GLU A 98 6.053 -17.941 -2.169 1.00 3.99 O ATOM 0 H GLU A 98 4.317 -16.814 0.710 1.00 1.53 H new ATOM 0 HA GLU A 98 4.887 -13.945 0.740 1.00 1.29 H new ATOM 0 HB2 GLU A 98 4.770 -14.206 -1.719 1.00 1.61 H new ATOM 0 HB3 GLU A 98 6.014 -15.202 -0.988 1.00 1.61 H new ATOM 0 HG2 GLU A 98 3.312 -16.427 -1.568 1.00 2.93 H new ATOM 0 HG3 GLU A 98 4.436 -16.170 -2.888 1.00 2.93 H new ATOM 1548 N VAL A 99 2.617 -13.147 -0.172 1.00 0.97 N ATOM 1549 CA VAL A 99 1.296 -12.633 -0.512 1.00 0.88 C ATOM 1550 C VAL A 99 1.303 -12.238 -1.976 1.00 0.87 C ATOM 1551 O VAL A 99 2.035 -11.335 -2.378 1.00 0.93 O ATOM 1552 CB VAL A 99 0.919 -11.445 0.393 1.00 0.87 C ATOM 1553 CG1 VAL A 99 -0.339 -10.709 -0.111 1.00 0.84 C ATOM 1554 CG2 VAL A 99 0.719 -11.983 1.822 1.00 0.96 C ATOM 0 H VAL A 99 3.349 -12.441 -0.250 1.00 0.97 H new ATOM 0 HA VAL A 99 0.541 -13.402 -0.348 1.00 0.88 H new ATOM 0 HB VAL A 99 1.722 -10.708 0.377 1.00 0.87 H new ATOM 0 HG11 VAL A 99 -0.567 -9.879 0.558 1.00 0.84 H new ATOM 0 HG12 VAL A 99 -0.159 -10.327 -1.116 1.00 0.84 H new ATOM 0 HG13 VAL A 99 -1.181 -11.401 -0.132 1.00 0.84 H new ATOM 0 HG21 VAL A 99 0.451 -11.161 2.486 1.00 0.96 H new ATOM 0 HG22 VAL A 99 -0.079 -12.726 1.823 1.00 0.96 H new ATOM 0 HG23 VAL A 99 1.644 -12.444 2.170 1.00 0.96 H new ATOM 1564 N GLU A 100 0.426 -12.877 -2.750 1.00 0.86 N ATOM 1565 CA GLU A 100 -0.070 -12.295 -3.988 1.00 0.86 C ATOM 1566 C GLU A 100 -0.846 -11.022 -3.631 1.00 0.67 C ATOM 1567 O GLU A 100 -1.812 -11.090 -2.868 1.00 0.83 O ATOM 1568 CB GLU A 100 -1.040 -13.238 -4.700 1.00 1.11 C ATOM 1569 CG GLU A 100 -0.467 -14.564 -5.214 1.00 1.31 C ATOM 1570 CD GLU A 100 -1.508 -15.289 -6.073 1.00 2.15 C ATOM 1571 OE1 GLU A 100 -2.711 -14.951 -5.953 1.00 3.19 O ATOM 1572 OE2 GLU A 100 -1.108 -16.070 -6.958 1.00 2.90 O ATOM 0 H GLU A 100 0.046 -13.799 -2.537 1.00 0.86 H new ATOM 0 HA GLU A 100 0.778 -12.097 -4.643 1.00 0.86 H new ATOM 0 HB2 GLU A 100 -1.857 -13.464 -4.015 1.00 1.11 H new ATOM 0 HB3 GLU A 100 -1.472 -12.704 -5.547 1.00 1.11 H new ATOM 0 HG2 GLU A 100 0.433 -14.378 -5.800 1.00 1.31 H new ATOM 0 HG3 GLU A 100 -0.176 -15.194 -4.373 1.00 1.31 H new ATOM 1579 N LEU A 101 -0.443 -9.880 -4.186 1.00 0.69 N ATOM 1580 CA LEU A 101 -1.109 -8.587 -4.046 1.00 0.77 C ATOM 1581 C LEU A 101 -1.464 -8.098 -5.464 1.00 0.83 C ATOM 1582 O LEU A 101 -0.630 -8.148 -6.370 1.00 0.87 O ATOM 1583 CB LEU A 101 -0.164 -7.618 -3.304 1.00 0.78 C ATOM 1584 CG LEU A 101 -0.657 -6.590 -2.270 1.00 1.23 C ATOM 1585 CD1 LEU A 101 -1.471 -5.486 -2.933 1.00 2.11 C ATOM 1586 CD2 LEU A 101 -1.426 -7.182 -1.092 1.00 2.57 C ATOM 0 H LEU A 101 0.392 -9.829 -4.770 1.00 0.69 H new ATOM 0 HA LEU A 101 -2.026 -8.653 -3.460 1.00 0.77 H new ATOM 0 HB2 LEU A 101 0.576 -8.237 -2.796 1.00 0.78 H new ATOM 0 HB3 LEU A 101 0.365 -7.054 -4.072 1.00 0.78 H new ATOM 0 HG LEU A 101 0.254 -6.170 -1.845 1.00 1.23 H new ATOM 0 HD11 LEU A 101 -1.805 -4.776 -2.177 1.00 2.11 H new ATOM 0 HD12 LEU A 101 -0.853 -4.970 -3.668 1.00 2.11 H new ATOM 0 HD13 LEU A 101 -2.338 -5.921 -3.430 1.00 2.11 H new ATOM 0 HD21 LEU A 101 -1.732 -6.382 -0.418 1.00 2.57 H new ATOM 0 HD22 LEU A 101 -2.309 -7.704 -1.460 1.00 2.57 H new ATOM 0 HD23 LEU A 101 -0.787 -7.883 -0.556 1.00 2.57 H new ATOM 1598 N ASP A 102 -2.702 -7.658 -5.676 1.00 1.06 N ATOM 1599 CA ASP A 102 -3.310 -7.453 -6.992 1.00 1.13 C ATOM 1600 C ASP A 102 -3.533 -5.955 -7.252 1.00 0.97 C ATOM 1601 O ASP A 102 -4.612 -5.413 -7.027 1.00 1.02 O ATOM 1602 CB ASP A 102 -4.610 -8.258 -6.992 1.00 1.53 C ATOM 1603 CG ASP A 102 -4.395 -9.775 -7.086 1.00 2.10 C ATOM 1604 OD1 ASP A 102 -3.644 -10.220 -7.978 1.00 1.87 O ATOM 1605 OD2 ASP A 102 -4.958 -10.515 -6.245 1.00 3.50 O ATOM 0 H ASP A 102 -3.334 -7.426 -4.910 1.00 1.06 H new ATOM 0 HA ASP A 102 -2.666 -7.795 -7.802 1.00 1.13 H new ATOM 0 HB2 ASP A 102 -5.166 -8.034 -6.081 1.00 1.53 H new ATOM 0 HB3 ASP A 102 -5.228 -7.935 -7.830 1.00 1.53 H new ATOM 1610 N LEU A 103 -2.466 -5.283 -7.679 1.00 0.92 N ATOM 1611 CA LEU A 103 -2.355 -3.822 -7.822 1.00 0.76 C ATOM 1612 C LEU A 103 -3.283 -3.307 -8.927 1.00 0.79 C ATOM 1613 O LEU A 103 -3.094 -3.668 -10.084 1.00 0.90 O ATOM 1614 CB LEU A 103 -0.902 -3.450 -8.173 1.00 0.82 C ATOM 1615 CG LEU A 103 0.188 -3.830 -7.157 1.00 0.85 C ATOM 1616 CD1 LEU A 103 1.559 -3.555 -7.791 1.00 1.24 C ATOM 1617 CD2 LEU A 103 0.060 -3.036 -5.851 1.00 1.02 C ATOM 0 H LEU A 103 -1.608 -5.762 -7.950 1.00 0.92 H new ATOM 0 HA LEU A 103 -2.646 -3.362 -6.877 1.00 0.76 H new ATOM 0 HB2 LEU A 103 -0.654 -3.919 -9.125 1.00 0.82 H new ATOM 0 HB3 LEU A 103 -0.858 -2.372 -8.328 1.00 0.82 H new ATOM 0 HG LEU A 103 0.075 -4.885 -6.909 1.00 0.85 H new ATOM 0 HD11 LEU A 103 2.346 -3.819 -7.085 1.00 1.24 H new ATOM 0 HD12 LEU A 103 1.668 -4.153 -8.696 1.00 1.24 H new ATOM 0 HD13 LEU A 103 1.638 -2.498 -8.044 1.00 1.24 H new ATOM 0 HD21 LEU A 103 0.850 -3.337 -5.163 1.00 1.02 H new ATOM 0 HD22 LEU A 103 0.150 -1.971 -6.063 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -0.911 -3.235 -5.398 1.00 1.02 H new ATOM 1629 N LEU A 104 -4.245 -2.441 -8.596 1.00 0.70 N ATOM 1630 CA LEU A 104 -5.253 -1.928 -9.532 1.00 0.70 C ATOM 1631 C LEU A 104 -4.779 -0.621 -10.182 1.00 0.61 C ATOM 1632 O LEU A 104 -4.538 0.382 -9.502 1.00 0.53 O ATOM 1633 CB LEU A 104 -6.604 -1.702 -8.821 1.00 0.70 C ATOM 1634 CG LEU A 104 -7.145 -2.851 -7.953 1.00 0.83 C ATOM 1635 CD1 LEU A 104 -8.498 -2.459 -7.345 1.00 0.91 C ATOM 1636 CD2 LEU A 104 -7.291 -4.162 -8.732 1.00 1.02 C ATOM 0 H LEU A 104 -4.348 -2.069 -7.652 1.00 0.70 H new ATOM 0 HA LEU A 104 -5.392 -2.677 -10.311 1.00 0.70 H new ATOM 0 HB2 LEU A 104 -6.509 -0.818 -8.190 1.00 0.70 H new ATOM 0 HB3 LEU A 104 -7.351 -1.473 -9.581 1.00 0.70 H new ATOM 0 HG LEU A 104 -6.414 -3.022 -7.163 1.00 0.83 H new ATOM 0 HD11 LEU A 104 -8.873 -3.279 -6.732 1.00 0.91 H new ATOM 0 HD12 LEU A 104 -8.375 -1.570 -6.726 1.00 0.91 H new ATOM 0 HD13 LEU A 104 -9.209 -2.249 -8.144 1.00 0.91 H new ATOM 0 HD21 LEU A 104 -7.676 -4.938 -8.070 1.00 1.02 H new ATOM 0 HD22 LEU A 104 -7.982 -4.017 -9.562 1.00 1.02 H new ATOM 0 HD23 LEU A 104 -6.318 -4.466 -9.119 1.00 1.02 H new ATOM 1648 N PHE A 105 -4.709 -0.593 -11.513 1.00 0.67 N ATOM 1649 CA PHE A 105 -4.237 0.561 -12.284 1.00 0.70 C ATOM 1650 C PHE A 105 -5.292 1.041 -13.297 1.00 0.77 C ATOM 1651 O PHE A 105 -5.960 0.251 -13.971 1.00 1.02 O ATOM 1652 CB PHE A 105 -2.936 0.173 -12.994 1.00 0.86 C ATOM 1653 CG PHE A 105 -1.732 -0.022 -12.091 1.00 0.76 C ATOM 1654 CD1 PHE A 105 -0.996 1.088 -11.638 1.00 1.48 C ATOM 1655 CD2 PHE A 105 -1.311 -1.324 -11.753 1.00 2.00 C ATOM 1656 CE1 PHE A 105 0.161 0.898 -10.861 1.00 1.54 C ATOM 1657 CE2 PHE A 105 -0.150 -1.510 -10.986 1.00 1.93 C ATOM 1658 CZ PHE A 105 0.590 -0.401 -10.542 1.00 0.70 C ATOM 0 H PHE A 105 -4.983 -1.383 -12.097 1.00 0.67 H new ATOM 0 HA PHE A 105 -4.056 1.393 -11.604 1.00 0.70 H new ATOM 0 HB2 PHE A 105 -3.106 -0.750 -13.548 1.00 0.86 H new ATOM 0 HB3 PHE A 105 -2.698 0.945 -13.726 1.00 0.86 H new ATOM 0 HD1 PHE A 105 -1.320 2.088 -11.887 1.00 1.48 H new ATOM 0 HD2 PHE A 105 -1.882 -2.179 -12.084 1.00 2.00 H new ATOM 0 HE1 PHE A 105 0.720 1.752 -10.509 1.00 1.54 H new ATOM 0 HE2 PHE A 105 0.176 -2.509 -10.736 1.00 1.93 H new ATOM 0 HZ PHE A 105 1.486 -0.547 -9.957 1.00 0.70 H new ATOM 1668 N ALA A 106 -5.413 2.369 -13.411 1.00 0.70 N ATOM 1669 CA ALA A 106 -6.478 3.058 -14.144 1.00 0.77 C ATOM 1670 C ALA A 106 -6.674 2.543 -15.585 1.00 1.29 C ATOM 1671 O ALA A 106 -5.728 2.459 -16.374 1.00 2.04 O ATOM 1672 CB ALA A 106 -6.198 4.566 -14.114 1.00 1.17 C ATOM 0 H ALA A 106 -4.750 3.013 -12.981 1.00 0.70 H new ATOM 0 HA ALA A 106 -7.422 2.842 -13.644 1.00 0.77 H new ATOM 0 HB1 ALA A 106 -6.983 5.093 -14.656 1.00 1.17 H new ATOM 0 HB2 ALA A 106 -6.176 4.912 -13.080 1.00 1.17 H new ATOM 0 HB3 ALA A 106 -5.235 4.767 -14.584 1.00 1.17 H new ATOM 1678 N GLY A 107 -7.926 2.213 -15.929 1.00 1.89 N ATOM 1679 CA GLY A 107 -8.317 1.734 -17.258 1.00 2.66 C ATOM 1680 C GLY A 107 -7.904 0.285 -17.518 1.00 2.24 C ATOM 1681 O GLY A 107 -7.135 0.034 -18.443 1.00 3.35 O ATOM 0 H GLY A 107 -8.709 2.273 -15.278 1.00 1.89 H new ATOM 0 HA2 GLY A 107 -9.398 1.823 -17.366 1.00 2.66 H new ATOM 0 HA3 GLY A 107 -7.867 2.375 -18.016 1.00 2.66 H new ATOM 1685 N GLY A 108 -8.407 -0.658 -16.713 1.00 1.74 N ATOM 1686 CA GLY A 108 -8.397 -2.096 -17.028 1.00 2.04 C ATOM 1687 C GLY A 108 -7.101 -2.860 -16.743 1.00 2.02 C ATOM 1688 O GLY A 108 -7.012 -4.028 -17.105 1.00 2.67 O ATOM 0 H GLY A 108 -8.838 -0.444 -15.814 1.00 1.74 H new ATOM 0 HA2 GLY A 108 -9.201 -2.572 -16.467 1.00 2.04 H new ATOM 0 HA3 GLY A 108 -8.634 -2.213 -18.085 1.00 2.04 H new ATOM 1692 N LYS A 109 -6.090 -2.258 -16.108 1.00 1.44 N ATOM 1693 CA LYS A 109 -4.892 -2.985 -15.689 1.00 1.45 C ATOM 1694 C LYS A 109 -5.030 -3.469 -14.235 1.00 1.39 C ATOM 1695 O LYS A 109 -5.417 -2.694 -13.365 1.00 1.29 O ATOM 1696 CB LYS A 109 -3.670 -2.062 -15.817 1.00 1.44 C ATOM 1697 CG LYS A 109 -3.018 -1.989 -17.207 1.00 1.67 C ATOM 1698 CD LYS A 109 -3.761 -1.111 -18.225 1.00 2.64 C ATOM 1699 CE LYS A 109 -3.765 0.362 -17.785 1.00 3.40 C ATOM 1700 NZ LYS A 109 -4.606 1.202 -18.667 1.00 4.38 N ATOM 0 H LYS A 109 -6.080 -1.265 -15.873 1.00 1.44 H new ATOM 0 HA LYS A 109 -4.765 -3.858 -16.330 1.00 1.45 H new ATOM 0 HB2 LYS A 109 -3.969 -1.055 -15.525 1.00 1.44 H new ATOM 0 HB3 LYS A 109 -2.916 -2.390 -15.102 1.00 1.44 H new ATOM 0 HG2 LYS A 109 -2.002 -1.611 -17.096 1.00 1.67 H new ATOM 0 HG3 LYS A 109 -2.940 -2.999 -17.609 1.00 1.67 H new ATOM 0 HD2 LYS A 109 -3.287 -1.201 -19.202 1.00 2.64 H new ATOM 0 HD3 LYS A 109 -4.786 -1.464 -18.335 1.00 2.64 H new ATOM 0 HE2 LYS A 109 -4.130 0.433 -16.760 1.00 3.40 H new ATOM 0 HE3 LYS A 109 -2.744 0.744 -17.787 1.00 3.40 H new ATOM 0 HZ1 LYS A 109 -4.831 2.095 -18.184 1.00 4.38 H new ATOM 0 HZ2 LYS A 109 -4.091 1.405 -19.547 1.00 4.38 H new ATOM 0 HZ3 LYS A 109 -5.487 0.697 -18.890 1.00 4.38 H new ATOM 1714 N VAL A 110 -4.615 -4.701 -13.955 1.00 1.54 N ATOM 1715 CA VAL A 110 -4.312 -5.187 -12.614 1.00 1.43 C ATOM 1716 C VAL A 110 -3.072 -6.076 -12.670 1.00 1.55 C ATOM 1717 O VAL A 110 -2.961 -6.912 -13.566 1.00 1.87 O ATOM 1718 CB VAL A 110 -5.524 -5.884 -11.963 1.00 1.50 C ATOM 1719 CG1 VAL A 110 -6.202 -6.911 -12.883 1.00 1.80 C ATOM 1720 CG2 VAL A 110 -5.179 -6.542 -10.614 1.00 1.44 C ATOM 0 H VAL A 110 -4.476 -5.409 -14.676 1.00 1.54 H new ATOM 0 HA VAL A 110 -4.092 -4.338 -11.967 1.00 1.43 H new ATOM 0 HB VAL A 110 -6.236 -5.078 -11.782 1.00 1.50 H new ATOM 0 HG11 VAL A 110 -7.046 -7.364 -12.363 1.00 1.80 H new ATOM 0 HG12 VAL A 110 -6.556 -6.413 -13.786 1.00 1.80 H new ATOM 0 HG13 VAL A 110 -5.485 -7.686 -13.154 1.00 1.80 H new ATOM 0 HG21 VAL A 110 -6.070 -7.017 -10.202 1.00 1.44 H new ATOM 0 HG22 VAL A 110 -4.403 -7.293 -10.763 1.00 1.44 H new ATOM 0 HG23 VAL A 110 -4.819 -5.782 -9.920 1.00 1.44 H new ATOM 1730 N LEU A 111 -2.131 -5.853 -11.747 1.00 1.34 N ATOM 1731 CA LEU A 111 -0.870 -6.585 -11.663 1.00 1.43 C ATOM 1732 C LEU A 111 -0.829 -7.405 -10.373 1.00 1.52 C ATOM 1733 O LEU A 111 -0.654 -6.871 -9.278 1.00 1.48 O ATOM 1734 CB LEU A 111 0.330 -5.618 -11.756 1.00 1.46 C ATOM 1735 CG LEU A 111 0.450 -4.799 -13.059 1.00 1.54 C ATOM 1736 CD1 LEU A 111 1.756 -3.985 -13.032 1.00 1.78 C ATOM 1737 CD2 LEU A 111 0.446 -5.678 -14.321 1.00 1.90 C ATOM 0 H LEU A 111 -2.230 -5.142 -11.023 1.00 1.34 H new ATOM 0 HA LEU A 111 -0.801 -7.272 -12.506 1.00 1.43 H new ATOM 0 HB2 LEU A 111 0.274 -4.922 -10.919 1.00 1.46 H new ATOM 0 HB3 LEU A 111 1.246 -6.196 -11.630 1.00 1.46 H new ATOM 0 HG LEU A 111 -0.423 -4.148 -13.106 1.00 1.54 H new ATOM 0 HD11 LEU A 111 1.843 -3.406 -13.951 1.00 1.78 H new ATOM 0 HD12 LEU A 111 1.746 -3.309 -12.177 1.00 1.78 H new ATOM 0 HD13 LEU A 111 2.606 -4.663 -12.949 1.00 1.78 H new ATOM 0 HD21 LEU A 111 0.533 -5.046 -15.205 1.00 1.90 H new ATOM 0 HD22 LEU A 111 1.288 -6.370 -14.285 1.00 1.90 H new ATOM 0 HD23 LEU A 111 -0.485 -6.242 -14.369 1.00 1.90 H new ATOM 1749 N LYS A 112 -0.925 -8.727 -10.522 1.00 1.76 N ATOM 1750 CA LYS A 112 -0.664 -9.694 -9.457 1.00 1.79 C ATOM 1751 C LYS A 112 0.846 -9.743 -9.175 1.00 1.77 C ATOM 1752 O LYS A 112 1.588 -10.452 -9.854 1.00 2.22 O ATOM 1753 CB LYS A 112 -1.248 -11.049 -9.895 1.00 1.92 C ATOM 1754 CG LYS A 112 -1.057 -12.137 -8.825 1.00 2.11 C ATOM 1755 CD LYS A 112 -1.862 -13.405 -9.155 1.00 2.15 C ATOM 1756 CE LYS A 112 -3.379 -13.273 -8.940 1.00 3.09 C ATOM 1757 NZ LYS A 112 -3.725 -12.965 -7.533 1.00 3.70 N ATOM 0 H LYS A 112 -1.192 -9.163 -11.405 1.00 1.76 H new ATOM 0 HA LYS A 112 -1.144 -9.411 -8.520 1.00 1.79 H new ATOM 0 HB2 LYS A 112 -2.311 -10.933 -10.107 1.00 1.92 H new ATOM 0 HB3 LYS A 112 -0.771 -11.366 -10.822 1.00 1.92 H new ATOM 0 HG2 LYS A 112 0.001 -12.388 -8.745 1.00 2.11 H new ATOM 0 HG3 LYS A 112 -1.367 -11.751 -7.854 1.00 2.11 H new ATOM 0 HD2 LYS A 112 -1.678 -13.676 -10.194 1.00 2.15 H new ATOM 0 HD3 LYS A 112 -1.491 -14.225 -8.541 1.00 2.15 H new ATOM 0 HE2 LYS A 112 -3.768 -12.487 -9.587 1.00 3.09 H new ATOM 0 HE3 LYS A 112 -3.867 -14.201 -9.237 1.00 3.09 H new ATOM 0 HZ1 LYS A 112 -4.759 -12.970 -7.421 1.00 3.70 H new ATOM 0 HZ2 LYS A 112 -3.306 -13.682 -6.907 1.00 3.70 H new ATOM 0 HZ3 LYS A 112 -3.354 -12.027 -7.282 1.00 3.70 H new ATOM 1771 N VAL A 113 1.307 -8.966 -8.196 1.00 1.32 N ATOM 1772 CA VAL A 113 2.706 -8.974 -7.731 1.00 1.30 C ATOM 1773 C VAL A 113 2.849 -9.888 -6.515 1.00 1.08 C ATOM 1774 O VAL A 113 1.875 -10.143 -5.815 1.00 0.94 O ATOM 1775 CB VAL A 113 3.263 -7.564 -7.428 1.00 1.37 C ATOM 1776 CG1 VAL A 113 3.248 -6.691 -8.692 1.00 1.81 C ATOM 1777 CG2 VAL A 113 2.557 -6.844 -6.268 1.00 1.29 C ATOM 0 H VAL A 113 0.718 -8.303 -7.693 1.00 1.32 H new ATOM 0 HA VAL A 113 3.308 -9.362 -8.553 1.00 1.30 H new ATOM 0 HB VAL A 113 4.291 -7.719 -7.101 1.00 1.37 H new ATOM 0 HG11 VAL A 113 3.644 -5.703 -8.457 1.00 1.81 H new ATOM 0 HG12 VAL A 113 3.864 -7.155 -9.462 1.00 1.81 H new ATOM 0 HG13 VAL A 113 2.225 -6.595 -9.056 1.00 1.81 H new ATOM 0 HG21 VAL A 113 3.008 -5.862 -6.121 1.00 1.29 H new ATOM 0 HG22 VAL A 113 1.499 -6.726 -6.503 1.00 1.29 H new ATOM 0 HG23 VAL A 113 2.663 -7.432 -5.356 1.00 1.29 H new ATOM 1787 N VAL A 114 4.064 -10.375 -6.268 1.00 1.24 N ATOM 1788 CA VAL A 114 4.418 -11.164 -5.081 1.00 1.16 C ATOM 1789 C VAL A 114 5.192 -10.280 -4.095 1.00 1.18 C ATOM 1790 O VAL A 114 6.020 -9.483 -4.526 1.00 1.38 O ATOM 1791 CB VAL A 114 5.204 -12.437 -5.485 1.00 1.34 C ATOM 1792 CG1 VAL A 114 6.573 -12.151 -6.126 1.00 1.91 C ATOM 1793 CG2 VAL A 114 5.359 -13.395 -4.299 1.00 1.80 C ATOM 0 H VAL A 114 4.851 -10.230 -6.901 1.00 1.24 H new ATOM 0 HA VAL A 114 3.513 -11.507 -4.580 1.00 1.16 H new ATOM 0 HB VAL A 114 4.600 -12.914 -6.257 1.00 1.34 H new ATOM 0 HG11 VAL A 114 7.060 -13.093 -6.380 1.00 1.91 H new ATOM 0 HG12 VAL A 114 6.435 -11.559 -7.030 1.00 1.91 H new ATOM 0 HG13 VAL A 114 7.196 -11.599 -5.422 1.00 1.91 H new ATOM 0 HG21 VAL A 114 5.915 -14.278 -4.615 1.00 1.80 H new ATOM 0 HG22 VAL A 114 5.899 -12.895 -3.495 1.00 1.80 H new ATOM 0 HG23 VAL A 114 4.374 -13.695 -3.942 1.00 1.80 H new ATOM 1803 N LEU A 115 4.906 -10.410 -2.795 1.00 1.08 N ATOM 1804 CA LEU A 115 5.556 -9.707 -1.673 1.00 1.12 C ATOM 1805 C LEU A 115 5.689 -10.686 -0.490 1.00 1.14 C ATOM 1806 O LEU A 115 4.835 -11.568 -0.379 1.00 1.36 O ATOM 1807 CB LEU A 115 4.676 -8.528 -1.200 1.00 1.14 C ATOM 1808 CG LEU A 115 4.268 -7.501 -2.274 1.00 1.28 C ATOM 1809 CD1 LEU A 115 3.192 -6.581 -1.683 1.00 1.54 C ATOM 1810 CD2 LEU A 115 5.463 -6.669 -2.751 1.00 1.58 C ATOM 0 H LEU A 115 4.174 -11.044 -2.475 1.00 1.08 H new ATOM 0 HA LEU A 115 6.528 -9.340 -2.002 1.00 1.12 H new ATOM 0 HB2 LEU A 115 3.768 -8.936 -0.756 1.00 1.14 H new ATOM 0 HB3 LEU A 115 5.209 -8.001 -0.408 1.00 1.14 H new ATOM 0 HG LEU A 115 3.882 -8.037 -3.141 1.00 1.28 H new ATOM 0 HD11 LEU A 115 2.891 -5.847 -2.430 1.00 1.54 H new ATOM 0 HD12 LEU A 115 2.327 -7.175 -1.389 1.00 1.54 H new ATOM 0 HD13 LEU A 115 3.593 -6.067 -0.810 1.00 1.54 H new ATOM 0 HD21 LEU A 115 5.132 -5.957 -3.508 1.00 1.58 H new ATOM 0 HD22 LEU A 115 5.890 -6.128 -1.906 1.00 1.58 H new ATOM 0 HD23 LEU A 115 6.218 -7.329 -3.179 1.00 1.58 H new ATOM 1822 N PRO A 116 6.657 -10.546 0.433 1.00 1.02 N ATOM 1823 CA PRO A 116 6.756 -11.401 1.615 1.00 1.06 C ATOM 1824 C PRO A 116 5.743 -11.005 2.702 1.00 1.11 C ATOM 1825 O PRO A 116 5.386 -9.832 2.842 1.00 1.11 O ATOM 1826 CB PRO A 116 8.193 -11.222 2.109 1.00 1.03 C ATOM 1827 CG PRO A 116 8.517 -9.781 1.711 1.00 0.99 C ATOM 1828 CD PRO A 116 7.770 -9.613 0.389 1.00 0.97 C ATOM 0 HA PRO A 116 6.526 -12.439 1.375 1.00 1.06 H new ATOM 0 HB2 PRO A 116 8.271 -11.370 3.186 1.00 1.03 H new ATOM 0 HB3 PRO A 116 8.873 -11.933 1.639 1.00 1.03 H new ATOM 0 HG2 PRO A 116 8.175 -9.068 2.461 1.00 0.99 H new ATOM 0 HG3 PRO A 116 9.589 -9.627 1.591 1.00 0.99 H new ATOM 0 HD2 PRO A 116 7.416 -8.589 0.269 1.00 0.97 H new ATOM 0 HD3 PRO A 116 8.423 -9.825 -0.457 1.00 0.97 H new ATOM 1836 N VAL A 117 5.350 -11.973 3.535 1.00 1.24 N ATOM 1837 CA VAL A 117 4.753 -11.732 4.856 1.00 1.26 C ATOM 1838 C VAL A 117 5.871 -11.373 5.835 1.00 1.28 C ATOM 1839 O VAL A 117 6.870 -12.088 5.909 1.00 1.43 O ATOM 1840 CB VAL A 117 3.999 -12.984 5.368 1.00 1.36 C ATOM 1841 CG1 VAL A 117 3.541 -12.824 6.822 1.00 1.49 C ATOM 1842 CG2 VAL A 117 2.762 -13.231 4.503 1.00 1.39 C ATOM 0 H VAL A 117 5.438 -12.964 3.308 1.00 1.24 H new ATOM 0 HA VAL A 117 4.034 -10.917 4.776 1.00 1.26 H new ATOM 0 HB VAL A 117 4.692 -13.823 5.309 1.00 1.36 H new ATOM 0 HG11 VAL A 117 3.017 -13.725 7.140 1.00 1.49 H new ATOM 0 HG12 VAL A 117 4.409 -12.665 7.462 1.00 1.49 H new ATOM 0 HG13 VAL A 117 2.871 -11.968 6.900 1.00 1.49 H new ATOM 0 HG21 VAL A 117 2.234 -14.113 4.866 1.00 1.39 H new ATOM 0 HG22 VAL A 117 2.102 -12.365 4.556 1.00 1.39 H new ATOM 0 HG23 VAL A 117 3.067 -13.391 3.469 1.00 1.39 H new ATOM 1852 N GLU A 118 5.683 -10.308 6.617 1.00 1.24 N ATOM 1853 CA GLU A 118 6.655 -9.841 7.611 1.00 1.30 C ATOM 1854 C GLU A 118 5.967 -8.987 8.690 1.00 1.34 C ATOM 1855 O GLU A 118 4.916 -8.380 8.453 1.00 1.49 O ATOM 1856 CB GLU A 118 7.837 -9.134 6.906 1.00 1.57 C ATOM 1857 CG GLU A 118 9.174 -9.876 7.061 1.00 2.20 C ATOM 1858 CD GLU A 118 9.819 -9.536 8.396 1.00 2.41 C ATOM 1859 OE1 GLU A 118 9.173 -9.752 9.443 1.00 3.50 O ATOM 1860 OE2 GLU A 118 10.883 -8.876 8.382 1.00 2.86 O ATOM 0 H GLU A 118 4.839 -9.736 6.578 1.00 1.24 H new ATOM 0 HA GLU A 118 7.080 -10.693 8.142 1.00 1.30 H new ATOM 0 HB2 GLU A 118 7.608 -9.031 5.845 1.00 1.57 H new ATOM 0 HB3 GLU A 118 7.940 -8.127 7.309 1.00 1.57 H new ATOM 0 HG2 GLU A 118 9.010 -10.951 6.993 1.00 2.20 H new ATOM 0 HG3 GLU A 118 9.845 -9.603 6.246 1.00 2.20 H new ATOM 1867 N ALA A 119 6.532 -8.998 9.900 1.00 1.45 N ATOM 1868 CA ALA A 119 5.869 -8.591 11.142 1.00 1.59 C ATOM 1869 C ALA A 119 6.403 -7.246 11.660 1.00 1.58 C ATOM 1870 O ALA A 119 7.582 -7.139 12.008 1.00 2.29 O ATOM 1871 CB ALA A 119 6.076 -9.712 12.166 1.00 1.96 C ATOM 0 H ALA A 119 7.495 -9.300 10.047 1.00 1.45 H new ATOM 0 HA ALA A 119 4.805 -8.438 10.962 1.00 1.59 H new ATOM 0 HB1 ALA A 119 5.594 -9.441 13.105 1.00 1.96 H new ATOM 0 HB2 ALA A 119 5.639 -10.636 11.787 1.00 1.96 H new ATOM 0 HB3 ALA A 119 7.143 -9.858 12.335 1.00 1.96 H new ATOM 1877 N ARG A 120 5.528 -6.230 11.685 1.00 1.54 N ATOM 1878 CA ARG A 120 5.716 -4.843 12.178 1.00 1.77 C ATOM 1879 C ARG A 120 4.523 -4.492 13.074 1.00 2.58 C ATOM 1880 O ARG A 120 4.326 -3.294 13.352 1.00 2.50 O ATOM 1881 CB ARG A 120 5.843 -3.842 10.984 1.00 2.17 C ATOM 1882 CG ARG A 120 7.259 -3.548 10.445 1.00 2.27 C ATOM 1883 CD ARG A 120 8.035 -4.845 10.318 1.00 2.85 C ATOM 1884 NE ARG A 120 9.147 -4.880 9.369 1.00 3.34 N ATOM 1885 CZ ARG A 120 9.824 -6.004 9.198 1.00 4.45 C ATOM 1886 NH1 ARG A 120 9.721 -6.998 10.030 1.00 5.09 N ATOM 1887 NH2 ARG A 120 10.578 -6.188 8.161 1.00 5.68 N ATOM 1888 OXT ARG A 120 3.687 -5.382 13.332 1.00 3.90 O ATOM 0 H ARG A 120 4.581 -6.363 11.330 1.00 1.54 H new ATOM 0 HA ARG A 120 6.640 -4.770 12.752 1.00 1.77 H new ATOM 0 HB2 ARG A 120 5.243 -4.225 10.159 1.00 2.17 H new ATOM 0 HB3 ARG A 120 5.397 -2.896 11.290 1.00 2.17 H new ATOM 0 HG2 ARG A 120 7.195 -3.055 9.475 1.00 2.27 H new ATOM 0 HG3 ARG A 120 7.780 -2.865 11.116 1.00 2.27 H new ATOM 0 HD2 ARG A 120 8.426 -5.100 11.303 1.00 2.85 H new ATOM 0 HD3 ARG A 120 7.332 -5.631 10.041 1.00 2.85 H new ATOM 0 HE ARG A 120 9.399 -4.044 8.842 1.00 3.34 H new ATOM 0 HH11 ARG A 120 9.106 -6.923 10.840 1.00 5.09 H new ATOM 0 HH12 ARG A 120 10.255 -7.852 9.872 1.00 5.09 H new ATOM 0 HH21 ARG A 120 10.660 -5.458 7.454 1.00 5.68 H new ATOM 0 HH22 ARG A 120 11.090 -7.063 8.052 1.00 5.68 H new