USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= -0.365 K(o=-0.39,f=-3.9!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -0.0267 USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0 X(o=-0.39,f=-0.46) USER MOD Single : A 11 SER OG : rot 2:sc= 1.1 USER MOD Single : A 15 ASN : amide:sc= -2.98! K(o=-3!,f=-0.17) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 158:sc= 1.03 USER MOD Single : A 24 ASN : amide:sc= -0.47 K(o=-0.47,f=-6.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= -0.102 (180deg=-1.95!) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= 0.701! (180deg=0.118!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -167:sc= -0.0105 (180deg=-0.299) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0.41 (180deg=-0.752!) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 1.5 (180deg=0.391) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 0.092 (180deg=-0.187) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.03) USER MOD Single : A 109 LYS NZ :NH3+ -146:sc= 0.901 (180deg=0.134) USER MOD Single : A 112 LYS NZ :NH3+ -144:sc= 0.679 (180deg=-0.759!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.605 1.703 6.336 1.00 1.11 N ATOM 56 CA GLU A 5 9.006 1.756 7.682 1.00 1.29 C ATOM 57 C GLU A 5 7.468 1.644 7.625 1.00 1.27 C ATOM 58 O GLU A 5 6.742 2.574 7.980 1.00 1.62 O ATOM 59 CB GLU A 5 9.403 3.073 8.371 1.00 2.36 C ATOM 60 CG GLU A 5 10.906 3.295 8.549 1.00 3.03 C ATOM 61 CD GLU A 5 11.140 4.666 9.185 1.00 3.97 C ATOM 62 OE1 GLU A 5 10.843 5.667 8.489 1.00 4.50 O ATOM 63 OE2 GLU A 5 11.563 4.704 10.357 1.00 4.83 O ATOM 0 HA GLU A 5 9.383 0.907 8.252 1.00 1.29 H new ATOM 0 HB2 GLU A 5 8.997 3.903 7.792 1.00 2.36 H new ATOM 0 HB3 GLU A 5 8.930 3.107 9.352 1.00 2.36 H new ATOM 0 HG2 GLU A 5 11.329 2.512 9.178 1.00 3.03 H new ATOM 0 HG3 GLU A 5 11.411 3.237 7.585 1.00 3.03 H new ATOM 70 N GLY A 6 6.949 0.543 7.079 1.00 1.17 N ATOM 71 CA GLY A 6 5.512 0.297 6.901 1.00 1.21 C ATOM 72 C GLY A 6 5.117 -1.089 7.388 1.00 1.00 C ATOM 73 O GLY A 6 5.971 -1.848 7.845 1.00 1.14 O ATOM 0 H GLY A 6 7.529 -0.224 6.739 1.00 1.17 H new ATOM 0 HA2 GLY A 6 4.943 1.051 7.446 1.00 1.21 H new ATOM 0 HA3 GLY A 6 5.252 0.401 5.848 1.00 1.21 H new ATOM 77 N TRP A 7 3.842 -1.449 7.252 1.00 0.91 N ATOM 78 CA TRP A 7 3.336 -2.735 7.723 1.00 0.81 C ATOM 79 C TRP A 7 2.241 -3.325 6.820 1.00 0.66 C ATOM 80 O TRP A 7 1.708 -2.651 5.940 1.00 0.61 O ATOM 81 CB TRP A 7 2.885 -2.588 9.185 1.00 0.95 C ATOM 82 CG TRP A 7 1.797 -1.586 9.425 1.00 1.04 C ATOM 83 CD1 TRP A 7 0.488 -1.881 9.584 1.00 1.18 C ATOM 84 CD2 TRP A 7 1.888 -0.126 9.512 1.00 1.39 C ATOM 85 NE1 TRP A 7 -0.229 -0.720 9.772 1.00 1.48 N ATOM 86 CE2 TRP A 7 0.575 0.395 9.711 1.00 1.63 C ATOM 87 CE3 TRP A 7 2.942 0.815 9.455 1.00 1.75 C ATOM 88 CZ2 TRP A 7 0.320 1.770 9.826 1.00 2.11 C ATOM 89 CZ3 TRP A 7 2.696 2.199 9.534 1.00 2.26 C ATOM 90 CH2 TRP A 7 1.387 2.679 9.718 1.00 2.41 C ATOM 0 H TRP A 7 3.134 -0.860 6.814 1.00 0.91 H new ATOM 0 HA TRP A 7 4.146 -3.463 7.673 1.00 0.81 H new ATOM 0 HB2 TRP A 7 2.545 -3.560 9.542 1.00 0.95 H new ATOM 0 HB3 TRP A 7 3.750 -2.311 9.788 1.00 0.95 H new ATOM 0 HD1 TRP A 7 0.068 -2.876 9.566 1.00 1.18 H new ATOM 0 HE1 TRP A 7 -1.235 -0.690 9.937 1.00 1.48 H new ATOM 0 HE3 TRP A 7 3.958 0.464 9.349 1.00 1.75 H new ATOM 0 HZ2 TRP A 7 -0.685 2.126 9.996 1.00 2.11 H new ATOM 0 HZ3 TRP A 7 3.517 2.896 9.453 1.00 2.26 H new ATOM 0 HH2 TRP A 7 1.202 3.741 9.776 1.00 2.41 H new ATOM 101 N VAL A 8 1.914 -4.602 7.015 1.00 0.76 N ATOM 102 CA VAL A 8 0.847 -5.319 6.291 1.00 0.78 C ATOM 103 C VAL A 8 -0.251 -5.733 7.288 1.00 0.87 C ATOM 104 O VAL A 8 0.049 -6.019 8.443 1.00 1.10 O ATOM 105 CB VAL A 8 1.431 -6.514 5.498 1.00 1.02 C ATOM 106 CG1 VAL A 8 0.363 -7.159 4.602 1.00 1.24 C ATOM 107 CG2 VAL A 8 2.624 -6.102 4.612 1.00 1.20 C ATOM 0 H VAL A 8 2.393 -5.189 7.698 1.00 0.76 H new ATOM 0 HA VAL A 8 0.389 -4.663 5.551 1.00 0.78 H new ATOM 0 HB VAL A 8 1.776 -7.229 6.244 1.00 1.02 H new ATOM 0 HG11 VAL A 8 0.802 -7.995 4.057 1.00 1.24 H new ATOM 0 HG12 VAL A 8 -0.460 -7.520 5.219 1.00 1.24 H new ATOM 0 HG13 VAL A 8 -0.011 -6.421 3.893 1.00 1.24 H new ATOM 0 HG21 VAL A 8 2.998 -6.975 4.077 1.00 1.20 H new ATOM 0 HG22 VAL A 8 2.301 -5.347 3.895 1.00 1.20 H new ATOM 0 HG23 VAL A 8 3.417 -5.693 5.237 1.00 1.20 H new ATOM 117 N ARG A 9 -1.527 -5.693 6.876 1.00 1.01 N ATOM 118 CA ARG A 9 -2.654 -5.462 7.801 1.00 1.09 C ATOM 119 C ARG A 9 -3.046 -6.619 8.738 1.00 1.04 C ATOM 120 O ARG A 9 -3.674 -6.340 9.752 1.00 2.35 O ATOM 121 CB ARG A 9 -3.853 -4.980 6.957 1.00 1.49 C ATOM 122 CG ARG A 9 -4.977 -4.252 7.713 1.00 1.57 C ATOM 123 CD ARG A 9 -6.182 -5.091 8.179 1.00 2.52 C ATOM 124 NE ARG A 9 -6.232 -5.237 9.642 1.00 3.10 N ATOM 125 CZ ARG A 9 -6.311 -4.262 10.544 1.00 3.49 C ATOM 126 NH1 ARG A 9 -6.556 -3.010 10.211 1.00 3.81 N ATOM 127 NH2 ARG A 9 -6.111 -4.543 11.813 1.00 4.65 N ATOM 0 H ARG A 9 -1.808 -5.818 5.904 1.00 1.01 H new ATOM 0 HA ARG A 9 -2.316 -4.710 8.514 1.00 1.09 H new ATOM 0 HB2 ARG A 9 -3.477 -4.314 6.180 1.00 1.49 H new ATOM 0 HB3 ARG A 9 -4.285 -5.845 6.454 1.00 1.49 H new ATOM 0 HG2 ARG A 9 -4.539 -3.777 8.591 1.00 1.57 H new ATOM 0 HG3 ARG A 9 -5.351 -3.454 7.072 1.00 1.57 H new ATOM 0 HD2 ARG A 9 -7.103 -4.623 7.832 1.00 2.52 H new ATOM 0 HD3 ARG A 9 -6.133 -6.078 7.720 1.00 2.52 H new ATOM 0 HE ARG A 9 -6.203 -6.190 10.005 1.00 3.10 H new ATOM 0 HH11 ARG A 9 -6.693 -2.760 9.232 1.00 3.81 H new ATOM 0 HH12 ARG A 9 -6.609 -2.291 10.933 1.00 3.81 H new ATOM 0 HH21 ARG A 9 -5.898 -5.500 12.096 1.00 4.65 H new ATOM 0 HH22 ARG A 9 -6.169 -3.804 12.514 1.00 4.65 H new ATOM 141 N PHE A 10 -2.784 -7.885 8.378 1.00 1.16 N ATOM 142 CA PHE A 10 -3.306 -9.119 9.003 1.00 1.06 C ATOM 143 C PHE A 10 -4.731 -9.354 8.481 1.00 0.91 C ATOM 144 O PHE A 10 -5.648 -8.572 8.735 1.00 1.13 O ATOM 145 CB PHE A 10 -3.217 -9.144 10.557 1.00 1.35 C ATOM 146 CG PHE A 10 -3.732 -10.352 11.343 1.00 1.48 C ATOM 147 CD1 PHE A 10 -4.201 -11.540 10.738 1.00 1.91 C ATOM 148 CD2 PHE A 10 -3.767 -10.266 12.748 1.00 2.62 C ATOM 149 CE1 PHE A 10 -4.705 -12.596 11.513 1.00 1.88 C ATOM 150 CE2 PHE A 10 -4.276 -11.318 13.529 1.00 2.94 C ATOM 151 CZ PHE A 10 -4.760 -12.483 12.910 1.00 1.97 C ATOM 0 H PHE A 10 -2.164 -8.092 7.595 1.00 1.16 H new ATOM 0 HA PHE A 10 -2.661 -9.948 8.710 1.00 1.06 H new ATOM 0 HB2 PHE A 10 -2.168 -9.011 10.822 1.00 1.35 H new ATOM 0 HB3 PHE A 10 -3.752 -8.268 10.924 1.00 1.35 H new ATOM 0 HD1 PHE A 10 -4.171 -11.637 9.663 1.00 1.91 H new ATOM 0 HD2 PHE A 10 -3.396 -9.376 13.234 1.00 2.62 H new ATOM 0 HE1 PHE A 10 -5.052 -13.499 11.032 1.00 1.88 H new ATOM 0 HE2 PHE A 10 -4.295 -11.231 14.605 1.00 2.94 H new ATOM 0 HZ PHE A 10 -5.171 -13.285 13.505 1.00 1.97 H new ATOM 161 N SER A 11 -4.907 -10.445 7.738 1.00 0.84 N ATOM 162 CA SER A 11 -6.189 -11.041 7.348 1.00 0.82 C ATOM 163 C SER A 11 -5.935 -12.502 6.927 1.00 0.86 C ATOM 164 O SER A 11 -4.920 -12.756 6.276 1.00 1.01 O ATOM 165 CB SER A 11 -6.838 -10.260 6.193 1.00 1.00 C ATOM 166 OG SER A 11 -7.203 -8.946 6.581 1.00 2.29 O ATOM 0 H SER A 11 -4.114 -10.969 7.369 1.00 0.84 H new ATOM 0 HA SER A 11 -6.877 -11.004 8.193 1.00 0.82 H new ATOM 0 HB2 SER A 11 -6.145 -10.211 5.353 1.00 1.00 H new ATOM 0 HB3 SER A 11 -7.722 -10.794 5.845 1.00 1.00 H new ATOM 0 HG SER A 11 -6.928 -8.791 7.509 1.00 2.29 H new ATOM 172 N PRO A 12 -6.795 -13.469 7.307 1.00 1.02 N ATOM 173 CA PRO A 12 -6.629 -14.868 6.907 1.00 1.18 C ATOM 174 C PRO A 12 -6.947 -15.076 5.422 1.00 1.04 C ATOM 175 O PRO A 12 -6.326 -15.906 4.762 1.00 1.20 O ATOM 176 CB PRO A 12 -7.593 -15.654 7.802 1.00 1.46 C ATOM 177 CG PRO A 12 -8.703 -14.650 8.115 1.00 1.45 C ATOM 178 CD PRO A 12 -7.945 -13.325 8.192 1.00 1.26 C ATOM 0 HA PRO A 12 -5.598 -15.201 7.028 1.00 1.18 H new ATOM 0 HB2 PRO A 12 -7.983 -16.535 7.293 1.00 1.46 H new ATOM 0 HB3 PRO A 12 -7.101 -16.002 8.710 1.00 1.46 H new ATOM 0 HG2 PRO A 12 -9.467 -14.635 7.337 1.00 1.45 H new ATOM 0 HG3 PRO A 12 -9.207 -14.883 9.053 1.00 1.45 H new ATOM 0 HD2 PRO A 12 -8.578 -12.495 7.878 1.00 1.26 H new ATOM 0 HD3 PRO A 12 -7.628 -13.116 9.214 1.00 1.26 H new ATOM 186 N GLY A 13 -7.898 -14.303 4.897 1.00 0.89 N ATOM 187 CA GLY A 13 -8.354 -14.355 3.513 1.00 0.88 C ATOM 188 C GLY A 13 -9.853 -14.060 3.382 1.00 0.93 C ATOM 189 O GLY A 13 -10.507 -13.798 4.390 1.00 0.96 O ATOM 0 H GLY A 13 -8.389 -13.598 5.447 1.00 0.89 H new ATOM 0 HA2 GLY A 13 -7.791 -13.634 2.920 1.00 0.88 H new ATOM 0 HA3 GLY A 13 -8.143 -15.341 3.100 1.00 0.88 H new ATOM 193 N PRO A 14 -10.405 -14.073 2.154 1.00 1.02 N ATOM 194 CA PRO A 14 -9.697 -14.294 0.894 1.00 1.06 C ATOM 195 C PRO A 14 -8.838 -13.093 0.469 1.00 0.99 C ATOM 196 O PRO A 14 -8.135 -13.184 -0.536 1.00 1.04 O ATOM 197 CB PRO A 14 -10.810 -14.565 -0.128 1.00 1.21 C ATOM 198 CG PRO A 14 -11.976 -13.726 0.394 1.00 1.22 C ATOM 199 CD PRO A 14 -11.823 -13.844 1.908 1.00 1.14 C ATOM 0 HA PRO A 14 -8.989 -15.118 0.982 1.00 1.06 H new ATOM 0 HB2 PRO A 14 -10.516 -14.264 -1.133 1.00 1.21 H new ATOM 0 HB3 PRO A 14 -11.065 -15.624 -0.174 1.00 1.21 H new ATOM 0 HG2 PRO A 14 -11.911 -12.690 0.060 1.00 1.22 H new ATOM 0 HG3 PRO A 14 -12.937 -14.111 0.053 1.00 1.22 H new ATOM 0 HD2 PRO A 14 -12.163 -12.936 2.406 1.00 1.14 H new ATOM 0 HD3 PRO A 14 -12.424 -14.666 2.298 1.00 1.14 H new ATOM 207 N ASN A 15 -8.901 -11.962 1.187 1.00 0.87 N ATOM 208 CA ASN A 15 -8.215 -10.708 0.870 1.00 0.74 C ATOM 209 C ASN A 15 -7.558 -10.075 2.124 1.00 0.73 C ATOM 210 O ASN A 15 -7.727 -10.554 3.247 1.00 1.10 O ATOM 211 CB ASN A 15 -9.204 -9.707 0.226 1.00 0.82 C ATOM 212 CG ASN A 15 -10.192 -10.254 -0.799 1.00 2.35 C ATOM 213 OD1 ASN A 15 -11.335 -9.840 -0.850 1.00 2.99 O ATOM 214 ND2 ASN A 15 -9.803 -11.181 -1.649 1.00 4.14 N ATOM 0 H ASN A 15 -9.456 -11.897 2.040 1.00 0.87 H new ATOM 0 HA ASN A 15 -7.419 -10.939 0.162 1.00 0.74 H new ATOM 0 HB2 ASN A 15 -9.775 -9.237 1.026 1.00 0.82 H new ATOM 0 HB3 ASN A 15 -8.622 -8.921 -0.254 1.00 0.82 H new ATOM 0 HD21 ASN A 15 -10.458 -11.545 -2.341 1.00 4.14 H new ATOM 0 HD22 ASN A 15 -8.847 -11.535 -1.615 1.00 4.14 H new ATOM 221 N ALA A 16 -6.826 -8.980 1.900 1.00 0.44 N ATOM 222 CA ALA A 16 -6.007 -8.204 2.847 1.00 0.41 C ATOM 223 C ALA A 16 -5.792 -6.753 2.357 1.00 0.38 C ATOM 224 O ALA A 16 -6.353 -6.336 1.347 1.00 0.40 O ATOM 225 CB ALA A 16 -4.682 -8.948 3.091 1.00 0.43 C ATOM 0 H ALA A 16 -6.785 -8.573 0.965 1.00 0.44 H new ATOM 0 HA ALA A 16 -6.534 -8.119 3.797 1.00 0.41 H new ATOM 0 HB1 ALA A 16 -4.069 -8.380 3.791 1.00 0.43 H new ATOM 0 HB2 ALA A 16 -4.890 -9.934 3.507 1.00 0.43 H new ATOM 0 HB3 ALA A 16 -4.147 -9.058 2.148 1.00 0.43 H new ATOM 231 N ALA A 17 -4.989 -5.969 3.078 1.00 0.42 N ATOM 232 CA ALA A 17 -4.582 -4.589 2.775 1.00 0.42 C ATOM 233 C ALA A 17 -3.101 -4.435 3.174 1.00 0.46 C ATOM 234 O ALA A 17 -2.637 -5.149 4.067 1.00 0.74 O ATOM 235 CB ALA A 17 -5.473 -3.620 3.562 1.00 0.58 C ATOM 0 H ALA A 17 -4.576 -6.301 3.949 1.00 0.42 H new ATOM 0 HA ALA A 17 -4.694 -4.365 1.714 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -5.177 -2.594 3.343 1.00 0.58 H new ATOM 0 HB2 ALA A 17 -6.514 -3.767 3.274 1.00 0.58 H new ATOM 0 HB3 ALA A 17 -5.362 -3.809 4.630 1.00 0.58 H new ATOM 241 N ALA A 18 -2.366 -3.502 2.569 1.00 0.40 N ATOM 242 CA ALA A 18 -0.975 -3.226 2.928 1.00 0.42 C ATOM 243 C ALA A 18 -0.750 -1.718 3.071 1.00 0.46 C ATOM 244 O ALA A 18 -1.120 -0.926 2.199 1.00 0.46 O ATOM 245 CB ALA A 18 -0.026 -3.875 1.916 1.00 0.52 C ATOM 0 H ALA A 18 -2.720 -2.915 1.814 1.00 0.40 H new ATOM 0 HA ALA A 18 -0.755 -3.671 3.899 1.00 0.42 H new ATOM 0 HB1 ALA A 18 1.006 -3.661 2.196 1.00 0.52 H new ATOM 0 HB2 ALA A 18 -0.184 -4.953 1.909 1.00 0.52 H new ATOM 0 HB3 ALA A 18 -0.223 -3.473 0.922 1.00 0.52 H new ATOM 251 N TYR A 19 -0.133 -1.358 4.195 1.00 0.67 N ATOM 252 CA TYR A 19 0.149 -0.001 4.650 1.00 0.83 C ATOM 253 C TYR A 19 1.661 0.305 4.603 1.00 0.89 C ATOM 254 O TYR A 19 2.298 0.620 5.612 1.00 1.39 O ATOM 255 CB TYR A 19 -0.452 0.179 6.060 1.00 0.96 C ATOM 256 CG TYR A 19 -1.950 -0.049 6.151 1.00 1.02 C ATOM 257 CD1 TYR A 19 -2.825 0.591 5.254 1.00 1.72 C ATOM 258 CD2 TYR A 19 -2.481 -0.876 7.153 1.00 2.25 C ATOM 259 CE1 TYR A 19 -4.215 0.349 5.320 1.00 1.86 C ATOM 260 CE2 TYR A 19 -3.868 -1.067 7.264 1.00 2.33 C ATOM 261 CZ TYR A 19 -4.739 -0.489 6.322 1.00 1.37 C ATOM 262 OH TYR A 19 -6.081 -0.704 6.403 1.00 1.61 O ATOM 0 H TYR A 19 0.206 -2.057 4.856 1.00 0.67 H new ATOM 0 HA TYR A 19 -0.317 0.721 3.980 1.00 0.83 H new ATOM 0 HB2 TYR A 19 0.047 -0.509 6.742 1.00 0.96 H new ATOM 0 HB3 TYR A 19 -0.231 1.188 6.407 1.00 0.96 H new ATOM 0 HD1 TYR A 19 -2.432 1.270 4.512 1.00 1.72 H new ATOM 0 HD2 TYR A 19 -1.816 -1.371 7.846 1.00 2.25 H new ATOM 0 HE1 TYR A 19 -4.877 0.808 4.600 1.00 1.86 H new ATOM 0 HE2 TYR A 19 -4.267 -1.659 8.074 1.00 2.33 H new ATOM 0 HH TYR A 19 -6.271 -1.308 7.151 1.00 1.61 H new ATOM 272 N LEU A 20 2.277 0.101 3.430 1.00 1.05 N ATOM 273 CA LEU A 20 3.732 0.181 3.254 1.00 1.08 C ATOM 274 C LEU A 20 4.264 1.627 3.224 1.00 1.02 C ATOM 275 O LEU A 20 3.575 2.540 2.766 1.00 0.93 O ATOM 276 CB LEU A 20 4.145 -0.662 2.031 1.00 1.16 C ATOM 277 CG LEU A 20 3.758 -0.052 0.669 1.00 1.11 C ATOM 278 CD1 LEU A 20 4.894 0.790 0.063 1.00 1.63 C ATOM 279 CD2 LEU A 20 3.389 -1.140 -0.342 1.00 1.44 C ATOM 0 H LEU A 20 1.775 -0.126 2.571 1.00 1.05 H new ATOM 0 HA LEU A 20 4.212 -0.247 4.134 1.00 1.08 H new ATOM 0 HB2 LEU A 20 5.225 -0.808 2.055 1.00 1.16 H new ATOM 0 HB3 LEU A 20 3.688 -1.648 2.115 1.00 1.16 H new ATOM 0 HG LEU A 20 2.899 0.590 0.865 1.00 1.11 H new ATOM 0 HD11 LEU A 20 4.573 1.198 -0.895 1.00 1.63 H new ATOM 0 HD12 LEU A 20 5.142 1.607 0.740 1.00 1.63 H new ATOM 0 HD13 LEU A 20 5.773 0.162 -0.086 1.00 1.63 H new ATOM 0 HD21 LEU A 20 3.121 -0.678 -1.292 1.00 1.44 H new ATOM 0 HD22 LEU A 20 4.241 -1.804 -0.489 1.00 1.44 H new ATOM 0 HD23 LEU A 20 2.542 -1.714 0.034 1.00 1.44 H new ATOM 291 N THR A 21 5.515 1.825 3.664 1.00 1.16 N ATOM 292 CA THR A 21 6.220 3.112 3.544 1.00 1.18 C ATOM 293 C THR A 21 7.012 3.145 2.250 1.00 1.25 C ATOM 294 O THR A 21 7.689 2.181 1.910 1.00 1.40 O ATOM 295 CB THR A 21 7.081 3.407 4.770 1.00 1.27 C ATOM 296 OG1 THR A 21 6.177 3.836 5.753 1.00 1.63 O ATOM 297 CG2 THR A 21 8.108 4.530 4.588 1.00 1.43 C ATOM 0 H THR A 21 6.069 1.096 4.114 1.00 1.16 H new ATOM 0 HA THR A 21 5.482 3.913 3.505 1.00 1.18 H new ATOM 0 HB THR A 21 7.653 2.509 5.005 1.00 1.27 H new ATOM 0 HG1 THR A 21 6.576 3.714 6.640 1.00 1.63 H new ATOM 0 HG21 THR A 21 8.669 4.663 5.513 1.00 1.43 H new ATOM 0 HG22 THR A 21 8.794 4.269 3.782 1.00 1.43 H new ATOM 0 HG23 THR A 21 7.593 5.458 4.340 1.00 1.43 H new ATOM 305 N LEU A 22 6.898 4.274 1.552 1.00 1.34 N ATOM 306 CA LEU A 22 7.482 4.566 0.240 1.00 1.62 C ATOM 307 C LEU A 22 8.612 5.599 0.379 1.00 1.31 C ATOM 308 O LEU A 22 8.425 6.633 1.024 1.00 1.23 O ATOM 309 CB LEU A 22 6.358 5.121 -0.674 1.00 2.19 C ATOM 310 CG LEU A 22 6.375 4.713 -2.155 1.00 2.78 C ATOM 311 CD1 LEU A 22 7.726 4.935 -2.842 1.00 2.96 C ATOM 312 CD2 LEU A 22 5.933 3.252 -2.298 1.00 3.29 C ATOM 0 H LEU A 22 6.360 5.063 1.910 1.00 1.34 H new ATOM 0 HA LEU A 22 7.905 3.660 -0.193 1.00 1.62 H new ATOM 0 HB2 LEU A 22 5.401 4.814 -0.253 1.00 2.19 H new ATOM 0 HB3 LEU A 22 6.393 6.209 -0.626 1.00 2.19 H new ATOM 0 HG LEU A 22 5.670 5.369 -2.666 1.00 2.78 H new ATOM 0 HD11 LEU A 22 7.660 4.624 -3.885 1.00 2.96 H new ATOM 0 HD12 LEU A 22 7.989 5.992 -2.795 1.00 2.96 H new ATOM 0 HD13 LEU A 22 8.492 4.348 -2.336 1.00 2.96 H new ATOM 0 HD21 LEU A 22 5.947 2.969 -3.351 1.00 3.29 H new ATOM 0 HD22 LEU A 22 6.614 2.609 -1.740 1.00 3.29 H new ATOM 0 HD23 LEU A 22 4.923 3.137 -1.905 1.00 3.29 H new ATOM 324 N GLU A 23 9.743 5.355 -0.276 1.00 1.31 N ATOM 325 CA GLU A 23 10.879 6.270 -0.397 1.00 1.16 C ATOM 326 C GLU A 23 11.136 6.612 -1.867 1.00 1.19 C ATOM 327 O GLU A 23 10.910 5.787 -2.748 1.00 1.60 O ATOM 328 CB GLU A 23 12.147 5.639 0.209 1.00 1.59 C ATOM 329 CG GLU A 23 12.575 4.320 -0.465 1.00 3.24 C ATOM 330 CD GLU A 23 13.916 3.810 0.055 1.00 4.15 C ATOM 331 OE1 GLU A 23 14.103 3.821 1.291 1.00 4.30 O ATOM 332 OE2 GLU A 23 14.739 3.309 -0.752 1.00 5.34 O ATOM 0 H GLU A 23 9.902 4.472 -0.761 1.00 1.31 H new ATOM 0 HA GLU A 23 10.637 7.183 0.148 1.00 1.16 H new ATOM 0 HB2 GLU A 23 12.966 6.354 0.137 1.00 1.59 H new ATOM 0 HB3 GLU A 23 11.977 5.455 1.270 1.00 1.59 H new ATOM 0 HG2 GLU A 23 11.810 3.563 -0.294 1.00 3.24 H new ATOM 0 HG3 GLU A 23 12.639 4.470 -1.543 1.00 3.24 H new ATOM 339 N ASN A 24 11.693 7.793 -2.122 1.00 0.94 N ATOM 340 CA ASN A 24 12.368 8.129 -3.372 1.00 0.87 C ATOM 341 C ASN A 24 13.864 8.370 -3.088 1.00 1.01 C ATOM 342 O ASN A 24 14.222 9.419 -2.548 1.00 1.18 O ATOM 343 CB ASN A 24 11.713 9.376 -3.973 1.00 0.77 C ATOM 344 CG ASN A 24 12.262 9.674 -5.359 1.00 0.77 C ATOM 345 OD1 ASN A 24 13.322 9.197 -5.755 1.00 1.39 O ATOM 346 ND2 ASN A 24 11.548 10.443 -6.147 1.00 0.89 N ATOM 0 H ASN A 24 11.687 8.560 -1.450 1.00 0.94 H new ATOM 0 HA ASN A 24 12.279 7.311 -4.087 1.00 0.87 H new ATOM 0 HB2 ASN A 24 10.634 9.231 -4.030 1.00 0.77 H new ATOM 0 HB3 ASN A 24 11.886 10.231 -3.319 1.00 0.77 H new ATOM 0 HD21 ASN A 24 11.873 10.646 -7.092 1.00 0.89 H new ATOM 0 HD22 ASN A 24 10.668 10.837 -5.814 1.00 0.89 H new ATOM 353 N PRO A 25 14.749 7.414 -3.422 1.00 1.14 N ATOM 354 CA PRO A 25 16.181 7.520 -3.155 1.00 1.39 C ATOM 355 C PRO A 25 16.970 8.312 -4.214 1.00 1.34 C ATOM 356 O PRO A 25 18.151 8.574 -3.992 1.00 1.64 O ATOM 357 CB PRO A 25 16.657 6.062 -3.088 1.00 1.67 C ATOM 358 CG PRO A 25 15.732 5.358 -4.080 1.00 1.54 C ATOM 359 CD PRO A 25 14.405 6.068 -3.865 1.00 1.30 C ATOM 0 HA PRO A 25 16.356 8.083 -2.238 1.00 1.39 H new ATOM 0 HB2 PRO A 25 17.705 5.965 -3.373 1.00 1.67 H new ATOM 0 HB3 PRO A 25 16.561 5.651 -2.083 1.00 1.67 H new ATOM 0 HG2 PRO A 25 16.085 5.462 -5.106 1.00 1.54 H new ATOM 0 HG3 PRO A 25 15.657 4.290 -3.875 1.00 1.54 H new ATOM 0 HD2 PRO A 25 13.821 6.095 -4.785 1.00 1.30 H new ATOM 0 HD3 PRO A 25 13.801 5.552 -3.119 1.00 1.30 H new ATOM 367 N GLY A 26 16.360 8.683 -5.350 1.00 1.07 N ATOM 368 CA GLY A 26 17.018 9.417 -6.428 1.00 1.11 C ATOM 369 C GLY A 26 16.744 10.912 -6.352 1.00 1.09 C ATOM 370 O GLY A 26 15.969 11.389 -5.531 1.00 1.35 O ATOM 0 H GLY A 26 15.380 8.475 -5.543 1.00 1.07 H new ATOM 0 HA2 GLY A 26 18.093 9.243 -6.381 1.00 1.11 H new ATOM 0 HA3 GLY A 26 16.675 9.034 -7.389 1.00 1.11 H new ATOM 374 N ASP A 27 17.383 11.648 -7.254 1.00 1.23 N ATOM 375 CA ASP A 27 17.301 13.099 -7.427 1.00 1.63 C ATOM 376 C ASP A 27 16.222 13.524 -8.442 1.00 1.59 C ATOM 377 O ASP A 27 16.008 14.705 -8.705 1.00 1.85 O ATOM 378 CB ASP A 27 18.705 13.542 -7.846 1.00 2.05 C ATOM 379 CG ASP A 27 19.624 13.571 -6.626 1.00 2.59 C ATOM 380 OD1 ASP A 27 19.477 14.494 -5.793 1.00 3.51 O ATOM 381 OD2 ASP A 27 20.375 12.592 -6.406 1.00 3.03 O ATOM 0 H ASP A 27 18.015 11.221 -7.931 1.00 1.23 H new ATOM 0 HA ASP A 27 16.990 13.584 -6.501 1.00 1.63 H new ATOM 0 HB2 ASP A 27 19.103 12.859 -8.596 1.00 2.05 H new ATOM 0 HB3 ASP A 27 18.663 14.530 -8.305 1.00 2.05 H new ATOM 386 N LEU A 28 15.517 12.533 -8.985 1.00 1.29 N ATOM 387 CA LEU A 28 14.384 12.647 -9.894 1.00 1.20 C ATOM 388 C LEU A 28 13.091 12.168 -9.204 1.00 1.08 C ATOM 389 O LEU A 28 13.176 11.379 -8.263 1.00 1.07 O ATOM 390 CB LEU A 28 14.704 11.863 -11.181 1.00 1.28 C ATOM 391 CG LEU A 28 14.786 10.321 -11.051 1.00 2.28 C ATOM 392 CD1 LEU A 28 14.516 9.679 -12.422 1.00 2.49 C ATOM 393 CD2 LEU A 28 16.147 9.817 -10.539 1.00 3.88 C ATOM 0 H LEU A 28 15.742 11.558 -8.784 1.00 1.29 H new ATOM 0 HA LEU A 28 14.214 13.688 -10.168 1.00 1.20 H new ATOM 0 HB2 LEU A 28 13.943 12.102 -11.924 1.00 1.28 H new ATOM 0 HB3 LEU A 28 15.656 12.223 -11.572 1.00 1.28 H new ATOM 0 HG LEU A 28 14.035 10.035 -10.315 1.00 2.28 H new ATOM 0 HD11 LEU A 28 14.573 8.594 -12.333 1.00 2.49 H new ATOM 0 HD12 LEU A 28 13.522 9.963 -12.767 1.00 2.49 H new ATOM 0 HD13 LEU A 28 15.261 10.024 -13.139 1.00 2.49 H new ATOM 0 HD21 LEU A 28 16.131 8.729 -10.473 1.00 3.88 H new ATOM 0 HD22 LEU A 28 16.933 10.127 -11.228 1.00 3.88 H new ATOM 0 HD23 LEU A 28 16.343 10.237 -9.552 1.00 3.88 H new ATOM 405 N PRO A 29 11.898 12.597 -9.655 1.00 1.05 N ATOM 406 CA PRO A 29 10.635 12.213 -9.036 1.00 0.92 C ATOM 407 C PRO A 29 10.260 10.767 -9.397 1.00 0.85 C ATOM 408 O PRO A 29 10.725 10.228 -10.407 1.00 1.06 O ATOM 409 CB PRO A 29 9.618 13.243 -9.532 1.00 0.95 C ATOM 410 CG PRO A 29 10.152 13.654 -10.902 1.00 1.09 C ATOM 411 CD PRO A 29 11.668 13.460 -10.803 1.00 1.15 C ATOM 0 HA PRO A 29 10.682 12.218 -7.947 1.00 0.92 H new ATOM 0 HB2 PRO A 29 8.618 12.815 -9.605 1.00 0.95 H new ATOM 0 HB3 PRO A 29 9.551 14.096 -8.857 1.00 0.95 H new ATOM 0 HG2 PRO A 29 9.725 13.039 -11.694 1.00 1.09 H new ATOM 0 HG3 PRO A 29 9.899 14.689 -11.131 1.00 1.09 H new ATOM 0 HD2 PRO A 29 12.062 13.008 -11.713 1.00 1.15 H new ATOM 0 HD3 PRO A 29 12.174 14.417 -10.677 1.00 1.15 H new ATOM 419 N LEU A 30 9.408 10.138 -8.574 1.00 0.72 N ATOM 420 CA LEU A 30 8.934 8.767 -8.778 1.00 0.64 C ATOM 421 C LEU A 30 7.436 8.629 -8.587 1.00 0.67 C ATOM 422 O LEU A 30 6.845 8.897 -7.545 1.00 1.14 O ATOM 423 CB LEU A 30 9.572 7.759 -7.823 1.00 0.66 C ATOM 424 CG LEU A 30 11.032 7.436 -8.122 1.00 0.85 C ATOM 425 CD1 LEU A 30 11.642 6.690 -6.930 1.00 1.68 C ATOM 426 CD2 LEU A 30 11.221 6.550 -9.356 1.00 1.83 C ATOM 0 H LEU A 30 9.025 10.577 -7.737 1.00 0.72 H new ATOM 0 HA LEU A 30 9.220 8.553 -9.808 1.00 0.64 H new ATOM 0 HB2 LEU A 30 9.500 8.146 -6.807 1.00 0.66 H new ATOM 0 HB3 LEU A 30 8.996 6.834 -7.854 1.00 0.66 H new ATOM 0 HG LEU A 30 11.520 8.392 -8.310 1.00 0.85 H new ATOM 0 HD11 LEU A 30 12.686 6.458 -7.141 1.00 1.68 H new ATOM 0 HD12 LEU A 30 11.583 7.316 -6.040 1.00 1.68 H new ATOM 0 HD13 LEU A 30 11.092 5.764 -6.760 1.00 1.68 H new ATOM 0 HD21 LEU A 30 12.284 6.361 -9.509 1.00 1.83 H new ATOM 0 HD22 LEU A 30 10.702 5.603 -9.207 1.00 1.83 H new ATOM 0 HD23 LEU A 30 10.813 7.054 -10.232 1.00 1.83 H new ATOM 438 N ARG A 31 6.894 7.990 -9.603 1.00 0.60 N ATOM 439 CA ARG A 31 5.460 7.742 -9.762 1.00 0.52 C ATOM 440 C ARG A 31 5.127 6.274 -9.557 1.00 0.52 C ATOM 441 O ARG A 31 5.421 5.445 -10.419 1.00 0.53 O ATOM 442 CB ARG A 31 4.976 8.224 -11.129 1.00 0.51 C ATOM 443 CG ARG A 31 3.448 8.423 -11.121 1.00 0.67 C ATOM 444 CD ARG A 31 2.957 9.313 -12.263 1.00 0.70 C ATOM 445 NE ARG A 31 3.501 10.671 -12.113 1.00 1.26 N ATOM 446 CZ ARG A 31 3.599 11.633 -13.011 1.00 1.28 C ATOM 447 NH1 ARG A 31 3.063 11.548 -14.215 1.00 1.65 N ATOM 448 NH2 ARG A 31 4.275 12.702 -12.670 1.00 2.00 N ATOM 0 H ARG A 31 7.450 7.613 -10.370 1.00 0.60 H new ATOM 0 HA ARG A 31 4.936 8.310 -8.993 1.00 0.52 H new ATOM 0 HB2 ARG A 31 5.469 9.161 -11.386 1.00 0.51 H new ATOM 0 HB3 ARG A 31 5.250 7.499 -11.895 1.00 0.51 H new ATOM 0 HG2 ARG A 31 2.960 7.451 -11.189 1.00 0.67 H new ATOM 0 HG3 ARG A 31 3.149 8.863 -10.170 1.00 0.67 H new ATOM 0 HD2 ARG A 31 3.265 8.893 -13.220 1.00 0.70 H new ATOM 0 HD3 ARG A 31 1.868 9.347 -12.266 1.00 0.70 H new ATOM 0 HE ARG A 31 3.852 10.902 -11.184 1.00 1.26 H new ATOM 0 HH11 ARG A 31 2.546 10.711 -14.485 1.00 1.65 H new ATOM 0 HH12 ARG A 31 3.166 12.319 -14.875 1.00 1.65 H new ATOM 0 HH21 ARG A 31 4.698 12.764 -11.744 1.00 2.00 H new ATOM 0 HH22 ARG A 31 4.378 13.472 -13.331 1.00 2.00 H new ATOM 462 N LEU A 32 4.523 5.957 -8.421 1.00 0.55 N ATOM 463 CA LEU A 32 4.139 4.610 -8.017 1.00 0.53 C ATOM 464 C LEU A 32 2.714 4.344 -8.516 1.00 0.57 C ATOM 465 O LEU A 32 1.786 4.997 -8.057 1.00 0.66 O ATOM 466 CB LEU A 32 4.270 4.570 -6.482 1.00 0.54 C ATOM 467 CG LEU A 32 4.296 3.178 -5.827 1.00 0.69 C ATOM 468 CD1 LEU A 32 3.174 2.253 -6.283 1.00 1.77 C ATOM 469 CD2 LEU A 32 5.620 2.453 -6.068 1.00 2.40 C ATOM 0 H LEU A 32 4.276 6.661 -7.725 1.00 0.55 H new ATOM 0 HA LEU A 32 4.767 3.827 -8.442 1.00 0.53 H new ATOM 0 HB2 LEU A 32 5.185 5.094 -6.205 1.00 0.54 H new ATOM 0 HB3 LEU A 32 3.439 5.132 -6.055 1.00 0.54 H new ATOM 0 HG LEU A 32 4.160 3.390 -4.767 1.00 0.69 H new ATOM 0 HD11 LEU A 32 3.265 1.293 -5.775 1.00 1.77 H new ATOM 0 HD12 LEU A 32 2.211 2.702 -6.041 1.00 1.77 H new ATOM 0 HD13 LEU A 32 3.243 2.101 -7.360 1.00 1.77 H new ATOM 0 HD21 LEU A 32 5.592 1.475 -5.587 1.00 2.40 H new ATOM 0 HD22 LEU A 32 5.776 2.326 -7.139 1.00 2.40 H new ATOM 0 HD23 LEU A 32 6.438 3.040 -5.649 1.00 2.40 H new ATOM 481 N VAL A 33 2.530 3.401 -9.437 1.00 0.54 N ATOM 482 CA VAL A 33 1.247 3.179 -10.137 1.00 0.60 C ATOM 483 C VAL A 33 0.563 1.865 -9.720 1.00 0.59 C ATOM 484 O VAL A 33 -0.656 1.749 -9.816 1.00 0.69 O ATOM 485 CB VAL A 33 1.427 3.220 -11.680 1.00 0.68 C ATOM 486 CG1 VAL A 33 2.137 4.506 -12.150 1.00 0.70 C ATOM 487 CG2 VAL A 33 2.234 2.032 -12.241 1.00 0.64 C ATOM 0 H VAL A 33 3.267 2.759 -9.728 1.00 0.54 H new ATOM 0 HA VAL A 33 0.594 3.999 -9.836 1.00 0.60 H new ATOM 0 HB VAL A 33 0.407 3.177 -12.061 1.00 0.68 H new ATOM 0 HG11 VAL A 33 2.240 4.489 -13.235 1.00 0.70 H new ATOM 0 HG12 VAL A 33 1.549 5.375 -11.855 1.00 0.70 H new ATOM 0 HG13 VAL A 33 3.125 4.564 -11.693 1.00 0.70 H new ATOM 0 HG21 VAL A 33 2.319 2.128 -13.323 1.00 0.64 H new ATOM 0 HG22 VAL A 33 3.230 2.027 -11.798 1.00 0.64 H new ATOM 0 HG23 VAL A 33 1.725 1.099 -11.998 1.00 0.64 H new ATOM 497 N GLY A 34 1.337 0.872 -9.253 1.00 0.51 N ATOM 498 CA GLY A 34 0.828 -0.411 -8.763 1.00 0.54 C ATOM 499 C GLY A 34 1.793 -1.108 -7.817 1.00 0.49 C ATOM 500 O GLY A 34 2.839 -0.576 -7.450 1.00 0.49 O ATOM 0 H GLY A 34 2.353 0.944 -9.206 1.00 0.51 H new ATOM 0 HA2 GLY A 34 -0.121 -0.248 -8.251 1.00 0.54 H new ATOM 0 HA3 GLY A 34 0.624 -1.064 -9.612 1.00 0.54 H new ATOM 504 N ALA A 35 1.437 -2.325 -7.429 1.00 0.52 N ATOM 505 CA ALA A 35 2.249 -3.184 -6.587 1.00 0.57 C ATOM 506 C ALA A 35 2.165 -4.646 -7.047 1.00 0.59 C ATOM 507 O ALA A 35 1.482 -4.978 -8.020 1.00 0.58 O ATOM 508 CB ALA A 35 1.820 -2.977 -5.124 1.00 0.67 C ATOM 0 H ALA A 35 0.551 -2.751 -7.700 1.00 0.52 H new ATOM 0 HA ALA A 35 3.303 -2.917 -6.671 1.00 0.57 H new ATOM 0 HB1 ALA A 35 2.420 -3.615 -4.475 1.00 0.67 H new ATOM 0 HB2 ALA A 35 1.969 -1.934 -4.845 1.00 0.67 H new ATOM 0 HB3 ALA A 35 0.767 -3.235 -5.014 1.00 0.67 H new ATOM 514 N ARG A 36 2.842 -5.508 -6.295 1.00 0.69 N ATOM 515 CA ARG A 36 2.717 -6.961 -6.266 1.00 0.79 C ATOM 516 C ARG A 36 3.195 -7.490 -4.899 1.00 0.79 C ATOM 517 O ARG A 36 3.419 -6.726 -3.955 1.00 1.12 O ATOM 518 CB ARG A 36 3.421 -7.603 -7.482 1.00 0.88 C ATOM 519 CG ARG A 36 2.464 -8.404 -8.369 1.00 1.67 C ATOM 520 CD ARG A 36 1.892 -9.659 -7.672 1.00 3.20 C ATOM 521 NE ARG A 36 0.859 -10.372 -8.449 1.00 3.99 N ATOM 522 CZ ARG A 36 1.047 -11.235 -9.437 1.00 4.28 C ATOM 523 NH1 ARG A 36 2.240 -11.449 -9.958 1.00 4.08 N ATOM 524 NH2 ARG A 36 0.014 -11.913 -9.895 1.00 5.45 N ATOM 0 H ARG A 36 3.550 -5.182 -5.637 1.00 0.69 H new ATOM 0 HA ARG A 36 1.671 -7.253 -6.364 1.00 0.79 H new ATOM 0 HB2 ARG A 36 3.892 -6.821 -8.078 1.00 0.88 H new ATOM 0 HB3 ARG A 36 4.217 -8.259 -7.130 1.00 0.88 H new ATOM 0 HG2 ARG A 36 1.640 -7.760 -8.677 1.00 1.67 H new ATOM 0 HG3 ARG A 36 2.988 -8.707 -9.276 1.00 1.67 H new ATOM 0 HD2 ARG A 36 2.711 -10.347 -7.462 1.00 3.20 H new ATOM 0 HD3 ARG A 36 1.468 -9.365 -6.712 1.00 3.20 H new ATOM 0 HE ARG A 36 -0.110 -10.178 -8.197 1.00 3.99 H new ATOM 0 HH11 ARG A 36 3.051 -10.943 -9.601 1.00 4.08 H new ATOM 0 HH12 ARG A 36 2.352 -12.120 -10.718 1.00 4.08 H new ATOM 0 HH21 ARG A 36 -0.911 -11.769 -9.490 1.00 5.45 H new ATOM 0 HH22 ARG A 36 0.139 -12.582 -10.655 1.00 5.45 H new ATOM 538 N THR A 37 3.214 -8.812 -4.787 1.00 0.59 N ATOM 539 CA THR A 37 3.375 -9.641 -3.597 1.00 0.57 C ATOM 540 C THR A 37 3.283 -11.091 -4.072 1.00 0.52 C ATOM 541 O THR A 37 2.539 -11.342 -5.024 1.00 0.61 O ATOM 542 CB THR A 37 2.305 -9.324 -2.546 1.00 0.71 C ATOM 543 OG1 THR A 37 2.312 -10.312 -1.550 1.00 0.95 O ATOM 544 CG2 THR A 37 0.871 -9.246 -3.075 1.00 0.71 C ATOM 0 H THR A 37 3.105 -9.393 -5.618 1.00 0.59 H new ATOM 0 HA THR A 37 4.332 -9.450 -3.111 1.00 0.57 H new ATOM 0 HB THR A 37 2.574 -8.335 -2.176 1.00 0.71 H new ATOM 0 HG1 THR A 37 1.628 -10.105 -0.879 1.00 0.95 H new ATOM 0 HG21 THR A 37 0.192 -9.017 -2.254 1.00 0.71 H new ATOM 0 HG22 THR A 37 0.804 -8.463 -3.830 1.00 0.71 H new ATOM 0 HG23 THR A 37 0.594 -10.202 -3.519 1.00 0.71 H new ATOM 552 N PRO A 38 3.942 -12.063 -3.420 1.00 0.58 N ATOM 553 CA PRO A 38 3.753 -13.473 -3.742 1.00 0.69 C ATOM 554 C PRO A 38 2.478 -14.071 -3.139 1.00 0.74 C ATOM 555 O PRO A 38 2.092 -15.171 -3.523 1.00 0.89 O ATOM 556 CB PRO A 38 5.010 -14.147 -3.199 1.00 0.74 C ATOM 557 CG PRO A 38 5.419 -13.287 -2.005 1.00 0.72 C ATOM 558 CD PRO A 38 4.949 -11.881 -2.384 1.00 0.68 C ATOM 0 HA PRO A 38 3.619 -13.622 -4.814 1.00 0.69 H new ATOM 0 HB2 PRO A 38 4.810 -15.175 -2.898 1.00 0.74 H new ATOM 0 HB3 PRO A 38 5.798 -14.182 -3.951 1.00 0.74 H new ATOM 0 HG2 PRO A 38 4.947 -13.631 -1.085 1.00 0.72 H new ATOM 0 HG3 PRO A 38 6.496 -13.317 -1.841 1.00 0.72 H new ATOM 0 HD2 PRO A 38 4.532 -11.363 -1.521 1.00 0.68 H new ATOM 0 HD3 PRO A 38 5.780 -11.276 -2.748 1.00 0.68 H new ATOM 566 N VAL A 39 1.824 -13.376 -2.201 1.00 0.70 N ATOM 567 CA VAL A 39 0.715 -13.908 -1.390 1.00 0.73 C ATOM 568 C VAL A 39 -0.653 -13.258 -1.665 1.00 0.62 C ATOM 569 O VAL A 39 -1.531 -13.331 -0.814 1.00 0.64 O ATOM 570 CB VAL A 39 1.073 -13.867 0.117 1.00 0.82 C ATOM 571 CG1 VAL A 39 2.270 -14.773 0.444 1.00 1.01 C ATOM 572 CG2 VAL A 39 1.346 -12.441 0.612 1.00 0.77 C ATOM 0 H VAL A 39 2.053 -12.408 -1.977 1.00 0.70 H new ATOM 0 HA VAL A 39 0.593 -14.945 -1.702 1.00 0.73 H new ATOM 0 HB VAL A 39 0.197 -14.245 0.644 1.00 0.82 H new ATOM 0 HG11 VAL A 39 2.489 -14.716 1.510 1.00 1.01 H new ATOM 0 HG12 VAL A 39 2.031 -15.802 0.177 1.00 1.01 H new ATOM 0 HG13 VAL A 39 3.141 -14.444 -0.123 1.00 1.01 H new ATOM 0 HG21 VAL A 39 1.592 -12.465 1.674 1.00 0.77 H new ATOM 0 HG22 VAL A 39 2.181 -12.016 0.055 1.00 0.77 H new ATOM 0 HG23 VAL A 39 0.459 -11.827 0.459 1.00 0.77 H new ATOM 582 N ALA A 40 -0.853 -12.674 -2.850 1.00 0.58 N ATOM 583 CA ALA A 40 -2.154 -12.223 -3.384 1.00 0.55 C ATOM 584 C ALA A 40 -2.139 -12.296 -4.926 1.00 0.68 C ATOM 585 O ALA A 40 -1.182 -11.860 -5.569 1.00 1.12 O ATOM 586 CB ALA A 40 -2.427 -10.791 -2.906 1.00 0.56 C ATOM 0 H ALA A 40 -0.084 -12.492 -3.495 1.00 0.58 H new ATOM 0 HA ALA A 40 -2.950 -12.872 -3.020 1.00 0.55 H new ATOM 0 HB1 ALA A 40 -3.387 -10.453 -3.298 1.00 0.56 H new ATOM 0 HB2 ALA A 40 -2.452 -10.770 -1.816 1.00 0.56 H new ATOM 0 HB3 ALA A 40 -1.637 -10.131 -3.264 1.00 0.56 H new ATOM 592 N GLU A 41 -3.201 -12.842 -5.523 1.00 0.63 N ATOM 593 CA GLU A 41 -3.352 -12.984 -6.974 1.00 0.72 C ATOM 594 C GLU A 41 -3.302 -11.622 -7.683 1.00 0.70 C ATOM 595 O GLU A 41 -2.554 -11.411 -8.645 1.00 0.98 O ATOM 596 CB GLU A 41 -4.703 -13.674 -7.249 1.00 0.83 C ATOM 597 CG GLU A 41 -4.821 -14.216 -8.675 1.00 1.02 C ATOM 598 CD GLU A 41 -4.012 -15.500 -8.785 1.00 1.69 C ATOM 599 OE1 GLU A 41 -4.555 -16.564 -8.431 1.00 2.63 O ATOM 600 OE2 GLU A 41 -2.783 -15.426 -9.007 1.00 2.78 O ATOM 0 H GLU A 41 -3.998 -13.206 -5.000 1.00 0.63 H new ATOM 0 HA GLU A 41 -2.527 -13.581 -7.364 1.00 0.72 H new ATOM 0 HB2 GLU A 41 -4.836 -14.494 -6.543 1.00 0.83 H new ATOM 0 HB3 GLU A 41 -5.510 -12.964 -7.069 1.00 0.83 H new ATOM 0 HG2 GLU A 41 -5.866 -14.407 -8.920 1.00 1.02 H new ATOM 0 HG3 GLU A 41 -4.456 -13.478 -9.390 1.00 1.02 H new ATOM 607 N ARG A 42 -4.092 -10.681 -7.152 1.00 0.59 N ATOM 608 CA ARG A 42 -4.224 -9.303 -7.564 1.00 0.67 C ATOM 609 C ARG A 42 -3.902 -8.384 -6.387 1.00 0.62 C ATOM 610 O ARG A 42 -3.893 -8.764 -5.219 1.00 0.99 O ATOM 611 CB ARG A 42 -5.665 -9.060 -8.056 1.00 0.81 C ATOM 612 CG ARG A 42 -5.624 -8.563 -9.498 1.00 1.86 C ATOM 613 CD ARG A 42 -7.033 -8.296 -10.040 1.00 2.02 C ATOM 614 NE ARG A 42 -6.995 -7.631 -11.355 1.00 3.38 N ATOM 615 CZ ARG A 42 -6.624 -8.171 -12.515 1.00 4.07 C ATOM 616 NH1 ARG A 42 -6.204 -9.414 -12.619 1.00 4.32 N ATOM 617 NH2 ARG A 42 -6.681 -7.446 -13.612 1.00 5.42 N ATOM 0 H ARG A 42 -4.699 -10.894 -6.360 1.00 0.59 H new ATOM 0 HA ARG A 42 -3.528 -9.088 -8.375 1.00 0.67 H new ATOM 0 HB2 ARG A 42 -6.244 -9.981 -7.992 1.00 0.81 H new ATOM 0 HB3 ARG A 42 -6.161 -8.327 -7.420 1.00 0.81 H new ATOM 0 HG2 ARG A 42 -5.033 -7.649 -9.552 1.00 1.86 H new ATOM 0 HG3 ARG A 42 -5.126 -9.303 -10.125 1.00 1.86 H new ATOM 0 HD2 ARG A 42 -7.575 -9.238 -10.124 1.00 2.02 H new ATOM 0 HD3 ARG A 42 -7.583 -7.674 -9.334 1.00 2.02 H new ATOM 0 HE ARG A 42 -7.284 -6.653 -11.379 1.00 3.38 H new ATOM 0 HH11 ARG A 42 -6.153 -10.006 -11.790 1.00 4.32 H new ATOM 0 HH12 ARG A 42 -5.930 -9.785 -13.529 1.00 4.32 H new ATOM 0 HH21 ARG A 42 -7.007 -6.480 -13.569 1.00 5.42 H new ATOM 0 HH22 ARG A 42 -6.399 -7.850 -14.505 1.00 5.42 H new ATOM 631 N VAL A 43 -3.696 -7.130 -6.733 1.00 0.53 N ATOM 632 CA VAL A 43 -3.521 -6.005 -5.821 1.00 0.55 C ATOM 633 C VAL A 43 -4.088 -4.752 -6.489 1.00 0.64 C ATOM 634 O VAL A 43 -4.045 -4.641 -7.717 1.00 0.90 O ATOM 635 CB VAL A 43 -2.042 -5.859 -5.401 1.00 0.63 C ATOM 636 CG1 VAL A 43 -1.116 -5.499 -6.567 1.00 0.80 C ATOM 637 CG2 VAL A 43 -1.811 -4.860 -4.261 1.00 0.77 C ATOM 0 H VAL A 43 -3.642 -6.847 -7.711 1.00 0.53 H new ATOM 0 HA VAL A 43 -4.069 -6.173 -4.894 1.00 0.55 H new ATOM 0 HB VAL A 43 -1.787 -6.854 -5.037 1.00 0.63 H new ATOM 0 HG11 VAL A 43 -0.092 -5.411 -6.205 1.00 0.80 H new ATOM 0 HG12 VAL A 43 -1.167 -6.279 -7.326 1.00 0.80 H new ATOM 0 HG13 VAL A 43 -1.430 -4.550 -7.001 1.00 0.80 H new ATOM 0 HG21 VAL A 43 -0.748 -4.816 -4.026 1.00 0.77 H new ATOM 0 HG22 VAL A 43 -2.156 -3.872 -4.567 1.00 0.77 H new ATOM 0 HG23 VAL A 43 -2.365 -5.181 -3.379 1.00 0.77 H new ATOM 647 N GLU A 44 -4.659 -3.860 -5.687 1.00 0.57 N ATOM 648 CA GLU A 44 -5.304 -2.609 -6.094 1.00 0.59 C ATOM 649 C GLU A 44 -4.760 -1.459 -5.250 1.00 0.51 C ATOM 650 O GLU A 44 -4.474 -1.640 -4.068 1.00 0.61 O ATOM 651 CB GLU A 44 -6.820 -2.686 -5.860 1.00 0.82 C ATOM 652 CG GLU A 44 -7.532 -3.630 -6.830 1.00 1.14 C ATOM 653 CD GLU A 44 -8.998 -3.861 -6.454 1.00 1.83 C ATOM 654 OE1 GLU A 44 -9.552 -3.036 -5.688 1.00 2.67 O ATOM 655 OE2 GLU A 44 -9.532 -4.886 -6.929 1.00 2.55 O ATOM 0 H GLU A 44 -4.688 -3.995 -4.676 1.00 0.57 H new ATOM 0 HA GLU A 44 -5.099 -2.447 -7.152 1.00 0.59 H new ATOM 0 HB2 GLU A 44 -7.007 -3.016 -4.838 1.00 0.82 H new ATOM 0 HB3 GLU A 44 -7.247 -1.688 -5.955 1.00 0.82 H new ATOM 0 HG2 GLU A 44 -7.479 -3.218 -7.838 1.00 1.14 H new ATOM 0 HG3 GLU A 44 -7.010 -4.587 -6.850 1.00 1.14 H new ATOM 662 N LEU A 45 -4.646 -0.268 -5.835 1.00 0.52 N ATOM 663 CA LEU A 45 -4.192 0.941 -5.148 1.00 0.51 C ATOM 664 C LEU A 45 -5.404 1.792 -4.750 1.00 0.46 C ATOM 665 O LEU A 45 -6.153 2.259 -5.608 1.00 0.48 O ATOM 666 CB LEU A 45 -3.215 1.663 -6.091 1.00 0.65 C ATOM 667 CG LEU A 45 -2.689 3.022 -5.596 1.00 0.54 C ATOM 668 CD1 LEU A 45 -2.031 2.990 -4.212 1.00 0.80 C ATOM 669 CD2 LEU A 45 -1.647 3.516 -6.600 1.00 0.89 C ATOM 0 H LEU A 45 -4.871 -0.113 -6.818 1.00 0.52 H new ATOM 0 HA LEU A 45 -3.667 0.718 -4.219 1.00 0.51 H new ATOM 0 HB2 LEU A 45 -2.362 1.008 -6.271 1.00 0.65 H new ATOM 0 HB3 LEU A 45 -3.710 1.814 -7.051 1.00 0.65 H new ATOM 0 HG LEU A 45 -3.556 3.677 -5.511 1.00 0.54 H new ATOM 0 HD11 LEU A 45 -1.691 3.991 -3.947 1.00 0.80 H new ATOM 0 HD12 LEU A 45 -2.754 2.645 -3.473 1.00 0.80 H new ATOM 0 HD13 LEU A 45 -1.179 2.311 -4.230 1.00 0.80 H new ATOM 0 HD21 LEU A 45 -1.256 4.480 -6.274 1.00 0.89 H new ATOM 0 HD22 LEU A 45 -0.831 2.796 -6.662 1.00 0.89 H new ATOM 0 HD23 LEU A 45 -2.110 3.625 -7.581 1.00 0.89 H new ATOM 681 N HIS A 46 -5.606 1.988 -3.448 1.00 0.45 N ATOM 682 CA HIS A 46 -6.744 2.705 -2.870 1.00 0.43 C ATOM 683 C HIS A 46 -6.347 3.958 -2.064 1.00 0.46 C ATOM 684 O HIS A 46 -5.321 4.023 -1.382 1.00 0.56 O ATOM 685 CB HIS A 46 -7.527 1.766 -1.931 1.00 0.44 C ATOM 686 CG HIS A 46 -8.280 0.598 -2.515 1.00 0.45 C ATOM 687 ND1 HIS A 46 -8.973 -0.325 -1.746 1.00 0.50 N ATOM 688 CD2 HIS A 46 -8.410 0.225 -3.823 1.00 0.44 C ATOM 689 CE1 HIS A 46 -9.496 -1.225 -2.578 1.00 0.54 C ATOM 690 NE2 HIS A 46 -9.173 -0.932 -3.848 1.00 0.51 N ATOM 0 H HIS A 46 -4.959 1.640 -2.740 1.00 0.45 H new ATOM 0 HA HIS A 46 -7.348 3.033 -3.716 1.00 0.43 H new ATOM 0 HB2 HIS A 46 -6.821 1.369 -1.202 1.00 0.44 H new ATOM 0 HB3 HIS A 46 -8.244 2.376 -1.381 1.00 0.44 H new ATOM 0 HD2 HIS A 46 -7.995 0.737 -4.679 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -10.095 -2.071 -2.274 1.00 0.54 H new ATOM 0 HE2 HIS A 46 -9.440 -1.462 -4.677 1.00 0.51 H new ATOM 698 N GLU A 47 -7.265 4.918 -2.076 1.00 0.44 N ATOM 699 CA GLU A 47 -7.320 6.062 -1.170 1.00 0.52 C ATOM 700 C GLU A 47 -8.266 5.792 0.019 1.00 0.57 C ATOM 701 O GLU A 47 -9.007 4.797 0.041 1.00 0.62 O ATOM 702 CB GLU A 47 -7.754 7.306 -1.962 1.00 0.58 C ATOM 703 CG GLU A 47 -9.208 7.207 -2.455 1.00 0.60 C ATOM 704 CD GLU A 47 -9.774 8.510 -3.002 1.00 1.06 C ATOM 705 OE1 GLU A 47 -9.891 9.470 -2.217 1.00 1.87 O ATOM 706 OE2 GLU A 47 -10.329 8.511 -4.122 1.00 2.36 O ATOM 0 H GLU A 47 -8.030 4.921 -2.751 1.00 0.44 H new ATOM 0 HA GLU A 47 -6.330 6.234 -0.748 1.00 0.52 H new ATOM 0 HB2 GLU A 47 -7.645 8.190 -1.334 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -7.091 7.439 -2.817 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -9.265 6.445 -3.232 1.00 0.60 H new ATOM 0 HG3 GLU A 47 -9.836 6.869 -1.631 1.00 0.60 H new ATOM 713 N THR A 48 -8.295 6.689 1.006 1.00 0.75 N ATOM 714 CA THR A 48 -9.262 6.710 2.113 1.00 0.74 C ATOM 715 C THR A 48 -9.476 8.173 2.497 1.00 0.73 C ATOM 716 O THR A 48 -8.547 8.968 2.398 1.00 0.81 O ATOM 717 CB THR A 48 -8.730 5.852 3.266 1.00 0.72 C ATOM 718 OG1 THR A 48 -8.733 4.533 2.779 1.00 0.95 O ATOM 719 CG2 THR A 48 -9.587 5.877 4.532 1.00 0.78 C ATOM 0 H THR A 48 -7.620 7.452 1.061 1.00 0.75 H new ATOM 0 HA THR A 48 -10.225 6.283 1.834 1.00 0.74 H new ATOM 0 HB THR A 48 -7.754 6.240 3.556 1.00 0.72 H new ATOM 0 HG1 THR A 48 -8.399 3.927 3.473 1.00 0.95 H new ATOM 0 HG21 THR A 48 -9.132 5.242 5.292 1.00 0.78 H new ATOM 0 HG22 THR A 48 -9.654 6.899 4.906 1.00 0.78 H new ATOM 0 HG23 THR A 48 -10.587 5.509 4.302 1.00 0.78 H new ATOM 727 N PHE A 49 -10.691 8.550 2.887 1.00 0.75 N ATOM 728 CA PHE A 49 -11.089 9.959 3.009 1.00 0.78 C ATOM 729 C PHE A 49 -12.266 10.165 3.961 1.00 0.79 C ATOM 730 O PHE A 49 -12.976 9.225 4.317 1.00 0.83 O ATOM 731 CB PHE A 49 -11.417 10.524 1.615 1.00 0.82 C ATOM 732 CG PHE A 49 -12.504 9.765 0.870 1.00 0.76 C ATOM 733 CD1 PHE A 49 -12.184 8.644 0.084 1.00 1.84 C ATOM 734 CD2 PHE A 49 -13.850 10.160 0.994 1.00 2.01 C ATOM 735 CE1 PHE A 49 -13.207 7.898 -0.525 1.00 1.97 C ATOM 736 CE2 PHE A 49 -14.872 9.421 0.374 1.00 1.90 C ATOM 737 CZ PHE A 49 -14.550 8.275 -0.370 1.00 0.82 C ATOM 0 H PHE A 49 -11.431 7.891 3.129 1.00 0.75 H new ATOM 0 HA PHE A 49 -10.247 10.499 3.441 1.00 0.78 H new ATOM 0 HB2 PHE A 49 -11.725 11.564 1.721 1.00 0.82 H new ATOM 0 HB3 PHE A 49 -10.509 10.520 1.012 1.00 0.82 H new ATOM 0 HD1 PHE A 49 -11.152 8.356 -0.052 1.00 1.84 H new ATOM 0 HD2 PHE A 49 -14.099 11.039 1.571 1.00 2.01 H new ATOM 0 HE1 PHE A 49 -12.958 7.029 -1.116 1.00 1.97 H new ATOM 0 HE2 PHE A 49 -15.901 9.734 0.470 1.00 1.90 H new ATOM 0 HZ PHE A 49 -15.334 7.685 -0.822 1.00 0.82 H new ATOM 747 N MET A 50 -12.510 11.422 4.335 1.00 0.84 N ATOM 748 CA MET A 50 -13.708 11.843 5.081 1.00 0.86 C ATOM 749 C MET A 50 -14.817 12.324 4.137 1.00 0.69 C ATOM 750 O MET A 50 -14.539 12.913 3.096 1.00 0.64 O ATOM 751 CB MET A 50 -13.371 12.929 6.110 1.00 1.09 C ATOM 752 CG MET A 50 -12.555 12.359 7.276 1.00 1.80 C ATOM 753 SD MET A 50 -12.396 13.497 8.674 1.00 2.35 S ATOM 754 CE MET A 50 -13.838 12.981 9.641 1.00 4.02 C ATOM 0 H MET A 50 -11.874 12.192 4.127 1.00 0.84 H new ATOM 0 HA MET A 50 -14.077 10.968 5.617 1.00 0.86 H new ATOM 0 HB2 MET A 50 -12.809 13.729 5.627 1.00 1.09 H new ATOM 0 HB3 MET A 50 -14.292 13.371 6.490 1.00 1.09 H new ATOM 0 HG2 MET A 50 -13.024 11.437 7.620 1.00 1.80 H new ATOM 0 HG3 MET A 50 -11.560 12.096 6.918 1.00 1.80 H new ATOM 0 HE1 MET A 50 -13.901 13.581 10.549 1.00 4.02 H new ATOM 0 HE2 MET A 50 -14.742 13.123 9.049 1.00 4.02 H new ATOM 0 HE3 MET A 50 -13.740 11.929 9.907 1.00 4.02 H new ATOM 764 N ARG A 51 -16.071 12.040 4.499 1.00 0.70 N ATOM 765 CA ARG A 51 -17.278 12.331 3.712 1.00 0.67 C ATOM 766 C ARG A 51 -18.534 12.390 4.591 1.00 0.90 C ATOM 767 O ARG A 51 -18.555 11.868 5.705 1.00 0.82 O ATOM 768 CB ARG A 51 -17.458 11.297 2.580 1.00 0.84 C ATOM 769 CG ARG A 51 -17.349 9.831 3.044 1.00 2.02 C ATOM 770 CD ARG A 51 -18.408 8.917 2.417 1.00 2.80 C ATOM 771 NE ARG A 51 -18.227 7.541 2.901 1.00 4.87 N ATOM 772 CZ ARG A 51 -18.986 6.484 2.654 1.00 6.28 C ATOM 773 NH1 ARG A 51 -20.063 6.552 1.896 1.00 6.06 N ATOM 774 NH2 ARG A 51 -18.638 5.340 3.197 1.00 8.19 N ATOM 0 H ARG A 51 -16.285 11.582 5.385 1.00 0.70 H new ATOM 0 HA ARG A 51 -17.142 13.316 3.266 1.00 0.67 H new ATOM 0 HB2 ARG A 51 -18.432 11.448 2.116 1.00 0.84 H new ATOM 0 HB3 ARG A 51 -16.707 11.481 1.812 1.00 0.84 H new ATOM 0 HG2 ARG A 51 -16.358 9.451 2.796 1.00 2.02 H new ATOM 0 HG3 ARG A 51 -17.442 9.793 4.129 1.00 2.02 H new ATOM 0 HD2 ARG A 51 -19.406 9.274 2.671 1.00 2.80 H new ATOM 0 HD3 ARG A 51 -18.327 8.944 1.330 1.00 2.80 H new ATOM 0 HE ARG A 51 -17.418 7.380 3.501 1.00 4.87 H new ATOM 0 HH11 ARG A 51 -20.336 7.441 1.477 1.00 6.06 H new ATOM 0 HH12 ARG A 51 -20.623 5.716 1.729 1.00 6.06 H new ATOM 0 HH21 ARG A 51 -17.807 5.287 3.787 1.00 8.19 H new ATOM 0 HH22 ARG A 51 -19.198 4.504 3.029 1.00 8.19 H new ATOM 788 N GLU A 52 -19.605 12.976 4.070 1.00 1.35 N ATOM 789 CA GLU A 52 -20.946 12.874 4.603 1.00 1.71 C ATOM 790 C GLU A 52 -21.579 11.528 4.216 1.00 2.13 C ATOM 791 O GLU A 52 -21.243 10.966 3.173 1.00 2.76 O ATOM 792 CB GLU A 52 -21.712 14.046 3.965 1.00 2.66 C ATOM 793 CG GLU A 52 -22.890 14.517 4.793 1.00 2.91 C ATOM 794 CD GLU A 52 -22.420 15.239 6.049 1.00 2.76 C ATOM 795 OE1 GLU A 52 -22.061 14.550 7.021 1.00 2.88 O ATOM 796 OE2 GLU A 52 -22.396 16.482 6.110 1.00 3.41 O ATOM 0 H GLU A 52 -19.555 13.556 3.233 1.00 1.35 H new ATOM 0 HA GLU A 52 -20.964 12.920 5.692 1.00 1.71 H new ATOM 0 HB2 GLU A 52 -21.026 14.880 3.815 1.00 2.66 H new ATOM 0 HB3 GLU A 52 -22.067 13.745 2.980 1.00 2.66 H new ATOM 0 HG2 GLU A 52 -23.514 15.184 4.198 1.00 2.91 H new ATOM 0 HG3 GLU A 52 -23.509 13.664 5.070 1.00 2.91 H new ATOM 803 N VAL A 53 -22.510 11.045 5.037 1.00 2.08 N ATOM 804 CA VAL A 53 -23.713 10.329 4.608 1.00 2.52 C ATOM 805 C VAL A 53 -24.877 10.895 5.425 1.00 2.35 C ATOM 806 O VAL A 53 -24.842 10.865 6.656 1.00 2.34 O ATOM 807 CB VAL A 53 -23.620 8.793 4.764 1.00 2.75 C ATOM 808 CG1 VAL A 53 -22.625 8.173 3.765 1.00 3.35 C ATOM 809 CG2 VAL A 53 -23.292 8.298 6.188 1.00 3.86 C ATOM 0 H VAL A 53 -22.447 11.143 6.050 1.00 2.08 H new ATOM 0 HA VAL A 53 -23.853 10.484 3.538 1.00 2.52 H new ATOM 0 HB VAL A 53 -24.631 8.451 4.544 1.00 2.75 H new ATOM 0 HG11 VAL A 53 -22.590 7.093 3.909 1.00 3.35 H new ATOM 0 HG12 VAL A 53 -22.946 8.393 2.747 1.00 3.35 H new ATOM 0 HG13 VAL A 53 -21.633 8.593 3.931 1.00 3.35 H new ATOM 0 HG21 VAL A 53 -23.249 7.209 6.194 1.00 3.86 H new ATOM 0 HG22 VAL A 53 -22.329 8.701 6.500 1.00 3.86 H new ATOM 0 HG23 VAL A 53 -24.067 8.634 6.877 1.00 3.86 H new ATOM 819 N GLU A 54 -25.886 11.454 4.761 1.00 2.65 N ATOM 820 CA GLU A 54 -27.132 11.952 5.365 1.00 2.73 C ATOM 821 C GLU A 54 -26.891 12.987 6.486 1.00 2.59 C ATOM 822 O GLU A 54 -27.414 12.864 7.597 1.00 2.68 O ATOM 823 CB GLU A 54 -27.998 10.782 5.863 1.00 2.80 C ATOM 824 CG GLU A 54 -27.996 9.498 5.017 1.00 3.61 C ATOM 825 CD GLU A 54 -28.131 9.790 3.527 1.00 4.59 C ATOM 826 OE1 GLU A 54 -29.283 9.961 3.084 1.00 5.34 O ATOM 827 OE2 GLU A 54 -27.062 9.888 2.878 1.00 5.74 O ATOM 0 H GLU A 54 -25.863 11.580 3.749 1.00 2.65 H new ATOM 0 HA GLU A 54 -27.673 12.479 4.579 1.00 2.73 H new ATOM 0 HB2 GLU A 54 -27.671 10.524 6.870 1.00 2.80 H new ATOM 0 HB3 GLU A 54 -29.027 11.133 5.942 1.00 2.80 H new ATOM 0 HG2 GLU A 54 -27.072 8.949 5.196 1.00 3.61 H new ATOM 0 HG3 GLU A 54 -28.816 8.854 5.335 1.00 3.61 H new ATOM 834 N GLY A 55 -25.980 13.941 6.253 1.00 2.47 N ATOM 835 CA GLY A 55 -25.615 14.979 7.231 1.00 2.45 C ATOM 836 C GLY A 55 -24.717 14.479 8.371 1.00 1.98 C ATOM 837 O GLY A 55 -24.344 15.265 9.246 1.00 2.10 O ATOM 0 H GLY A 55 -25.470 14.016 5.373 1.00 2.47 H new ATOM 0 HA2 GLY A 55 -25.105 15.790 6.711 1.00 2.45 H new ATOM 0 HA3 GLY A 55 -26.527 15.397 7.658 1.00 2.45 H new ATOM 841 N LYS A 56 -24.346 13.195 8.367 1.00 1.62 N ATOM 842 CA LYS A 56 -23.470 12.571 9.356 1.00 1.22 C ATOM 843 C LYS A 56 -22.113 12.247 8.716 1.00 1.05 C ATOM 844 O LYS A 56 -22.005 11.411 7.814 1.00 1.15 O ATOM 845 CB LYS A 56 -24.135 11.303 9.922 1.00 1.18 C ATOM 846 CG LYS A 56 -25.479 11.594 10.616 1.00 1.42 C ATOM 847 CD LYS A 56 -26.348 10.349 10.834 1.00 1.92 C ATOM 848 CE LYS A 56 -27.151 9.946 9.583 1.00 2.51 C ATOM 849 NZ LYS A 56 -26.333 9.265 8.549 1.00 3.54 N ATOM 0 H LYS A 56 -24.660 12.541 7.649 1.00 1.62 H new ATOM 0 HA LYS A 56 -23.302 13.262 10.182 1.00 1.22 H new ATOM 0 HB2 LYS A 56 -24.296 10.590 9.113 1.00 1.18 H new ATOM 0 HB3 LYS A 56 -23.458 10.830 10.634 1.00 1.18 H new ATOM 0 HG2 LYS A 56 -25.285 12.063 11.581 1.00 1.42 H new ATOM 0 HG3 LYS A 56 -26.037 12.314 10.018 1.00 1.42 H new ATOM 0 HD2 LYS A 56 -25.711 9.517 11.133 1.00 1.92 H new ATOM 0 HD3 LYS A 56 -27.038 10.534 11.657 1.00 1.92 H new ATOM 0 HE2 LYS A 56 -27.967 9.288 9.881 1.00 2.51 H new ATOM 0 HE3 LYS A 56 -27.603 10.837 9.148 1.00 2.51 H new ATOM 0 HZ1 LYS A 56 -26.937 8.624 7.995 1.00 3.54 H new ATOM 0 HZ2 LYS A 56 -25.910 9.975 7.917 1.00 3.54 H new ATOM 0 HZ3 LYS A 56 -25.578 8.718 9.009 1.00 3.54 H new ATOM 863 N LYS A 57 -21.072 12.916 9.202 1.00 1.22 N ATOM 864 CA LYS A 57 -19.692 12.745 8.771 1.00 1.19 C ATOM 865 C LYS A 57 -19.152 11.361 9.172 1.00 1.07 C ATOM 866 O LYS A 57 -19.227 10.962 10.329 1.00 1.32 O ATOM 867 CB LYS A 57 -18.842 13.891 9.341 1.00 1.63 C ATOM 868 CG LYS A 57 -19.047 15.229 8.600 1.00 3.13 C ATOM 869 CD LYS A 57 -19.491 16.419 9.470 1.00 3.33 C ATOM 870 CE LYS A 57 -20.960 16.376 9.914 1.00 3.66 C ATOM 871 NZ LYS A 57 -21.901 16.615 8.791 1.00 4.25 N ATOM 0 H LYS A 57 -21.172 13.618 9.935 1.00 1.22 H new ATOM 0 HA LYS A 57 -19.641 12.787 7.683 1.00 1.19 H new ATOM 0 HB2 LYS A 57 -19.086 14.026 10.395 1.00 1.63 H new ATOM 0 HB3 LYS A 57 -17.789 13.613 9.291 1.00 1.63 H new ATOM 0 HG2 LYS A 57 -18.113 15.495 8.105 1.00 3.13 H new ATOM 0 HG3 LYS A 57 -19.791 15.078 7.818 1.00 3.13 H new ATOM 0 HD2 LYS A 57 -18.859 16.459 10.357 1.00 3.33 H new ATOM 0 HD3 LYS A 57 -19.320 17.341 8.915 1.00 3.33 H new ATOM 0 HE2 LYS A 57 -21.173 15.405 10.361 1.00 3.66 H new ATOM 0 HE3 LYS A 57 -21.124 17.126 10.687 1.00 3.66 H new ATOM 0 HZ1 LYS A 57 -22.850 16.283 9.057 1.00 4.25 H new ATOM 0 HZ2 LYS A 57 -21.937 17.633 8.579 1.00 4.25 H new ATOM 0 HZ3 LYS A 57 -21.576 16.097 7.950 1.00 4.25 H new ATOM 885 N VAL A 58 -18.622 10.654 8.184 1.00 0.89 N ATOM 886 CA VAL A 58 -18.083 9.294 8.191 1.00 1.07 C ATOM 887 C VAL A 58 -16.818 9.230 7.310 1.00 1.09 C ATOM 888 O VAL A 58 -16.395 10.251 6.763 1.00 1.33 O ATOM 889 CB VAL A 58 -19.144 8.301 7.671 1.00 1.16 C ATOM 890 CG1 VAL A 58 -20.336 8.159 8.631 1.00 2.39 C ATOM 891 CG2 VAL A 58 -19.632 8.612 6.247 1.00 2.24 C ATOM 0 H VAL A 58 -18.550 11.062 7.252 1.00 0.89 H new ATOM 0 HA VAL A 58 -17.819 9.020 9.212 1.00 1.07 H new ATOM 0 HB VAL A 58 -18.628 7.342 7.626 1.00 1.16 H new ATOM 0 HG11 VAL A 58 -21.053 7.449 8.218 1.00 2.39 H new ATOM 0 HG12 VAL A 58 -19.984 7.798 9.597 1.00 2.39 H new ATOM 0 HG13 VAL A 58 -20.818 9.128 8.759 1.00 2.39 H new ATOM 0 HG21 VAL A 58 -20.376 7.873 5.948 1.00 2.24 H new ATOM 0 HG22 VAL A 58 -20.078 9.606 6.224 1.00 2.24 H new ATOM 0 HG23 VAL A 58 -18.788 8.577 5.558 1.00 2.24 H new ATOM 901 N MET A 59 -16.207 8.051 7.141 1.00 0.93 N ATOM 902 CA MET A 59 -15.112 7.833 6.181 1.00 0.83 C ATOM 903 C MET A 59 -15.508 6.958 4.987 1.00 0.75 C ATOM 904 O MET A 59 -16.584 6.357 4.949 1.00 0.83 O ATOM 905 CB MET A 59 -13.871 7.273 6.886 1.00 0.95 C ATOM 906 CG MET A 59 -13.238 8.362 7.756 1.00 1.11 C ATOM 907 SD MET A 59 -11.741 7.834 8.614 1.00 2.34 S ATOM 908 CE MET A 59 -11.625 9.179 9.820 1.00 2.88 C ATOM 0 H MET A 59 -16.458 7.215 7.668 1.00 0.93 H new ATOM 0 HA MET A 59 -14.873 8.813 5.768 1.00 0.83 H new ATOM 0 HB2 MET A 59 -14.146 6.416 7.501 1.00 0.95 H new ATOM 0 HB3 MET A 59 -13.151 6.918 6.149 1.00 0.95 H new ATOM 0 HG2 MET A 59 -13.002 9.222 7.130 1.00 1.11 H new ATOM 0 HG3 MET A 59 -13.969 8.695 8.493 1.00 1.11 H new ATOM 0 HE1 MET A 59 -10.749 9.027 10.451 1.00 2.88 H new ATOM 0 HE2 MET A 59 -11.534 10.131 9.296 1.00 2.88 H new ATOM 0 HE3 MET A 59 -12.521 9.190 10.440 1.00 2.88 H new ATOM 918 N GLY A 60 -14.658 6.940 3.966 1.00 0.68 N ATOM 919 CA GLY A 60 -14.829 6.201 2.720 1.00 0.70 C ATOM 920 C GLY A 60 -13.497 5.773 2.115 1.00 0.64 C ATOM 921 O GLY A 60 -12.439 6.171 2.588 1.00 0.67 O ATOM 0 H GLY A 60 -13.786 7.468 3.986 1.00 0.68 H new ATOM 0 HA2 GLY A 60 -15.442 5.319 2.904 1.00 0.70 H new ATOM 0 HA3 GLY A 60 -15.369 6.820 2.004 1.00 0.70 H new ATOM 925 N MET A 61 -13.554 4.957 1.066 1.00 0.61 N ATOM 926 CA MET A 61 -12.410 4.400 0.336 1.00 0.53 C ATOM 927 C MET A 61 -12.809 4.186 -1.123 1.00 0.52 C ATOM 928 O MET A 61 -13.974 3.921 -1.418 1.00 0.63 O ATOM 929 CB MET A 61 -11.972 3.106 1.054 1.00 0.63 C ATOM 930 CG MET A 61 -11.122 2.098 0.254 1.00 0.60 C ATOM 931 SD MET A 61 -10.989 0.407 0.953 1.00 0.59 S ATOM 932 CE MET A 61 -11.000 0.765 2.723 1.00 1.28 C ATOM 0 H MET A 61 -14.445 4.648 0.679 1.00 0.61 H new ATOM 0 HA MET A 61 -11.555 5.076 0.327 1.00 0.53 H new ATOM 0 HB2 MET A 61 -11.409 3.389 1.943 1.00 0.63 H new ATOM 0 HB3 MET A 61 -12.870 2.591 1.396 1.00 0.63 H new ATOM 0 HG2 MET A 61 -11.539 2.021 -0.750 1.00 0.60 H new ATOM 0 HG3 MET A 61 -10.116 2.505 0.151 1.00 0.60 H new ATOM 0 HE1 MET A 61 -10.697 -0.124 3.276 1.00 1.28 H new ATOM 0 HE2 MET A 61 -10.306 1.578 2.934 1.00 1.28 H new ATOM 0 HE3 MET A 61 -12.005 1.057 3.029 1.00 1.28 H new ATOM 942 N ARG A 62 -11.837 4.343 -2.021 1.00 0.45 N ATOM 943 CA ARG A 62 -11.963 4.271 -3.484 1.00 0.46 C ATOM 944 C ARG A 62 -10.627 3.793 -4.075 1.00 0.38 C ATOM 945 O ARG A 62 -9.603 3.977 -3.408 1.00 0.38 O ATOM 946 CB ARG A 62 -12.274 5.675 -4.041 1.00 0.60 C ATOM 947 CG ARG A 62 -13.724 6.142 -3.847 1.00 1.46 C ATOM 948 CD ARG A 62 -14.002 7.475 -4.569 1.00 1.61 C ATOM 949 NE ARG A 62 -13.073 8.537 -4.143 1.00 2.51 N ATOM 950 CZ ARG A 62 -13.306 9.715 -3.586 1.00 3.81 C ATOM 951 NH1 ARG A 62 -14.521 10.187 -3.392 1.00 4.68 N ATOM 952 NH2 ARG A 62 -12.280 10.438 -3.216 1.00 4.64 N ATOM 0 H ARG A 62 -10.878 4.536 -1.732 1.00 0.45 H new ATOM 0 HA ARG A 62 -12.764 3.581 -3.749 1.00 0.46 H new ATOM 0 HB2 ARG A 62 -11.609 6.395 -3.563 1.00 0.60 H new ATOM 0 HB3 ARG A 62 -12.044 5.686 -5.106 1.00 0.60 H new ATOM 0 HG2 ARG A 62 -14.404 5.378 -4.222 1.00 1.46 H new ATOM 0 HG3 ARG A 62 -13.929 6.256 -2.783 1.00 1.46 H new ATOM 0 HD2 ARG A 62 -13.917 7.329 -5.646 1.00 1.61 H new ATOM 0 HD3 ARG A 62 -15.027 7.788 -4.370 1.00 1.61 H new ATOM 0 HE ARG A 62 -12.087 8.330 -4.304 1.00 2.51 H new ATOM 0 HH11 ARG A 62 -15.333 9.638 -3.675 1.00 4.68 H new ATOM 0 HH12 ARG A 62 -14.650 11.101 -2.958 1.00 4.68 H new ATOM 0 HH21 ARG A 62 -11.332 10.090 -3.360 1.00 4.64 H new ATOM 0 HH22 ARG A 62 -12.428 11.350 -2.784 1.00 4.64 H new ATOM 966 N PRO A 63 -10.583 3.207 -5.284 1.00 0.39 N ATOM 967 CA PRO A 63 -9.331 2.981 -5.989 1.00 0.39 C ATOM 968 C PRO A 63 -8.826 4.286 -6.620 1.00 0.40 C ATOM 969 O PRO A 63 -9.633 5.134 -6.993 1.00 0.40 O ATOM 970 CB PRO A 63 -9.648 1.914 -7.031 1.00 0.41 C ATOM 971 CG PRO A 63 -11.100 2.228 -7.400 1.00 0.44 C ATOM 972 CD PRO A 63 -11.705 2.724 -6.080 1.00 0.45 C ATOM 0 HA PRO A 63 -8.530 2.650 -5.328 1.00 0.39 H new ATOM 0 HB2 PRO A 63 -8.987 1.982 -7.895 1.00 0.41 H new ATOM 0 HB3 PRO A 63 -9.541 0.908 -6.626 1.00 0.41 H new ATOM 0 HG2 PRO A 63 -11.161 2.987 -8.180 1.00 0.44 H new ATOM 0 HG3 PRO A 63 -11.619 1.345 -7.773 1.00 0.44 H new ATOM 0 HD2 PRO A 63 -12.430 3.519 -6.257 1.00 0.45 H new ATOM 0 HD3 PRO A 63 -12.232 1.921 -5.565 1.00 0.45 H new ATOM 980 N VAL A 64 -7.503 4.430 -6.742 1.00 0.47 N ATOM 981 CA VAL A 64 -6.819 5.602 -7.333 1.00 0.49 C ATOM 982 C VAL A 64 -5.662 5.146 -8.239 1.00 0.56 C ATOM 983 O VAL A 64 -5.143 4.044 -8.037 1.00 0.66 O ATOM 984 CB VAL A 64 -6.328 6.614 -6.266 1.00 0.59 C ATOM 985 CG1 VAL A 64 -7.512 7.405 -5.700 1.00 0.73 C ATOM 986 CG2 VAL A 64 -5.506 5.984 -5.131 1.00 0.88 C ATOM 0 H VAL A 64 -6.850 3.714 -6.424 1.00 0.47 H new ATOM 0 HA VAL A 64 -7.555 6.131 -7.938 1.00 0.49 H new ATOM 0 HB VAL A 64 -5.645 7.288 -6.783 1.00 0.59 H new ATOM 0 HG11 VAL A 64 -7.153 8.112 -4.952 1.00 0.73 H new ATOM 0 HG12 VAL A 64 -8.005 7.949 -6.506 1.00 0.73 H new ATOM 0 HG13 VAL A 64 -8.221 6.718 -5.239 1.00 0.73 H new ATOM 0 HG21 VAL A 64 -5.202 6.760 -4.428 1.00 0.88 H new ATOM 0 HG22 VAL A 64 -6.112 5.241 -4.612 1.00 0.88 H new ATOM 0 HG23 VAL A 64 -4.620 5.503 -5.547 1.00 0.88 H new ATOM 996 N PRO A 65 -5.284 5.934 -9.271 1.00 0.56 N ATOM 997 CA PRO A 65 -4.515 5.440 -10.413 1.00 0.57 C ATOM 998 C PRO A 65 -3.010 5.395 -10.160 1.00 0.57 C ATOM 999 O PRO A 65 -2.330 4.613 -10.818 1.00 0.58 O ATOM 1000 CB PRO A 65 -4.867 6.386 -11.564 1.00 0.56 C ATOM 1001 CG PRO A 65 -5.085 7.722 -10.859 1.00 0.53 C ATOM 1002 CD PRO A 65 -5.707 7.308 -9.527 1.00 0.53 C ATOM 0 HA PRO A 65 -4.772 4.403 -10.631 1.00 0.57 H new ATOM 0 HB2 PRO A 65 -4.064 6.444 -12.298 1.00 0.56 H new ATOM 0 HB3 PRO A 65 -5.761 6.060 -12.095 1.00 0.56 H new ATOM 0 HG2 PRO A 65 -4.148 8.261 -10.717 1.00 0.53 H new ATOM 0 HG3 PRO A 65 -5.746 8.376 -11.428 1.00 0.53 H new ATOM 0 HD2 PRO A 65 -5.378 7.969 -8.725 1.00 0.53 H new ATOM 0 HD3 PRO A 65 -6.794 7.376 -9.571 1.00 0.53 H new ATOM 1010 N PHE A 66 -2.500 6.212 -9.230 1.00 0.57 N ATOM 1011 CA PHE A 66 -1.081 6.301 -8.867 1.00 0.57 C ATOM 1012 C PHE A 66 -0.837 7.283 -7.717 1.00 0.59 C ATOM 1013 O PHE A 66 -1.626 8.201 -7.482 1.00 0.66 O ATOM 1014 CB PHE A 66 -0.201 6.697 -10.068 1.00 0.56 C ATOM 1015 CG PHE A 66 -0.469 8.088 -10.584 1.00 0.58 C ATOM 1016 CD1 PHE A 66 -1.452 8.300 -11.565 1.00 1.77 C ATOM 1017 CD2 PHE A 66 0.203 9.178 -10.012 1.00 2.17 C ATOM 1018 CE1 PHE A 66 -1.762 9.613 -11.963 1.00 1.77 C ATOM 1019 CE2 PHE A 66 -0.131 10.488 -10.370 1.00 2.20 C ATOM 1020 CZ PHE A 66 -1.108 10.708 -11.360 1.00 0.68 C ATOM 0 H PHE A 66 -3.085 6.851 -8.691 1.00 0.57 H new ATOM 0 HA PHE A 66 -0.799 5.301 -8.537 1.00 0.57 H new ATOM 0 HB2 PHE A 66 0.847 6.622 -9.779 1.00 0.56 H new ATOM 0 HB3 PHE A 66 -0.361 5.983 -10.875 1.00 0.56 H new ATOM 0 HD1 PHE A 66 -1.966 7.461 -12.010 1.00 1.77 H new ATOM 0 HD2 PHE A 66 0.986 9.004 -9.288 1.00 2.17 H new ATOM 0 HE1 PHE A 66 -2.502 9.783 -12.731 1.00 1.77 H new ATOM 0 HE2 PHE A 66 0.356 11.324 -9.891 1.00 2.20 H new ATOM 0 HZ PHE A 66 -1.357 11.716 -11.658 1.00 0.68 H new ATOM 1030 N LEU A 67 0.318 7.133 -7.074 1.00 0.56 N ATOM 1031 CA LEU A 67 0.947 8.128 -6.205 1.00 0.57 C ATOM 1032 C LEU A 67 2.157 8.747 -6.912 1.00 0.56 C ATOM 1033 O LEU A 67 2.778 8.119 -7.770 1.00 0.53 O ATOM 1034 CB LEU A 67 1.406 7.466 -4.889 1.00 0.57 C ATOM 1035 CG LEU A 67 0.352 6.644 -4.122 1.00 0.60 C ATOM 1036 CD1 LEU A 67 0.893 6.308 -2.728 1.00 0.67 C ATOM 1037 CD2 LEU A 67 -0.982 7.376 -3.959 1.00 0.63 C ATOM 0 H LEU A 67 0.867 6.276 -7.147 1.00 0.56 H new ATOM 0 HA LEU A 67 0.220 8.908 -5.981 1.00 0.57 H new ATOM 0 HB2 LEU A 67 2.249 6.813 -5.113 1.00 0.57 H new ATOM 0 HB3 LEU A 67 1.776 8.248 -4.226 1.00 0.57 H new ATOM 0 HG LEU A 67 0.165 5.745 -4.710 1.00 0.60 H new ATOM 0 HD11 LEU A 67 0.151 5.726 -2.180 1.00 0.67 H new ATOM 0 HD12 LEU A 67 1.811 5.728 -2.824 1.00 0.67 H new ATOM 0 HD13 LEU A 67 1.102 7.231 -2.187 1.00 0.67 H new ATOM 0 HD21 LEU A 67 -1.680 6.743 -3.411 1.00 0.63 H new ATOM 0 HD22 LEU A 67 -0.823 8.303 -3.408 1.00 0.63 H new ATOM 0 HD23 LEU A 67 -1.394 7.604 -4.942 1.00 0.63 H new ATOM 1049 N GLU A 68 2.510 9.966 -6.522 1.00 0.60 N ATOM 1050 CA GLU A 68 3.740 10.645 -6.925 1.00 0.65 C ATOM 1051 C GLU A 68 4.607 10.865 -5.686 1.00 0.69 C ATOM 1052 O GLU A 68 4.051 11.070 -4.603 1.00 0.74 O ATOM 1053 CB GLU A 68 3.387 11.999 -7.563 1.00 0.79 C ATOM 1054 CG GLU A 68 4.629 12.809 -7.956 1.00 0.93 C ATOM 1055 CD GLU A 68 5.470 12.039 -8.974 1.00 1.47 C ATOM 1056 OE1 GLU A 68 5.020 11.901 -10.139 1.00 1.50 O ATOM 1057 OE2 GLU A 68 6.538 11.535 -8.569 1.00 3.07 O ATOM 0 H GLU A 68 1.932 10.528 -5.897 1.00 0.60 H new ATOM 0 HA GLU A 68 4.284 10.040 -7.650 1.00 0.65 H new ATOM 0 HB2 GLU A 68 2.773 11.830 -8.448 1.00 0.79 H new ATOM 0 HB3 GLU A 68 2.785 12.580 -6.864 1.00 0.79 H new ATOM 0 HG2 GLU A 68 4.327 13.768 -8.376 1.00 0.93 H new ATOM 0 HG3 GLU A 68 5.226 13.023 -7.070 1.00 0.93 H new ATOM 1064 N VAL A 69 5.939 10.882 -5.841 1.00 0.73 N ATOM 1065 CA VAL A 69 6.865 11.148 -4.736 1.00 0.80 C ATOM 1066 C VAL A 69 8.080 11.994 -5.166 1.00 0.92 C ATOM 1067 O VAL A 69 8.786 11.617 -6.106 1.00 0.95 O ATOM 1068 CB VAL A 69 7.360 9.831 -4.077 1.00 0.78 C ATOM 1069 CG1 VAL A 69 8.149 10.108 -2.784 1.00 0.96 C ATOM 1070 CG2 VAL A 69 6.239 8.838 -3.710 1.00 0.86 C ATOM 0 H VAL A 69 6.401 10.712 -6.734 1.00 0.73 H new ATOM 0 HA VAL A 69 6.295 11.724 -4.007 1.00 0.80 H new ATOM 0 HB VAL A 69 7.987 9.380 -4.846 1.00 0.78 H new ATOM 0 HG11 VAL A 69 8.480 9.164 -2.350 1.00 0.96 H new ATOM 0 HG12 VAL A 69 9.017 10.726 -3.013 1.00 0.96 H new ATOM 0 HG13 VAL A 69 7.509 10.630 -2.072 1.00 0.96 H new ATOM 0 HG21 VAL A 69 6.675 7.948 -3.256 1.00 0.86 H new ATOM 0 HG22 VAL A 69 5.554 9.307 -3.004 1.00 0.86 H new ATOM 0 HG23 VAL A 69 5.694 8.556 -4.611 1.00 0.86 H new ATOM 1080 N PRO A 70 8.379 13.109 -4.460 1.00 1.09 N ATOM 1081 CA PRO A 70 9.514 13.975 -4.767 1.00 1.26 C ATOM 1082 C PRO A 70 10.854 13.348 -4.338 1.00 1.26 C ATOM 1083 O PRO A 70 10.874 12.524 -3.421 1.00 1.27 O ATOM 1084 CB PRO A 70 9.241 15.281 -4.011 1.00 1.44 C ATOM 1085 CG PRO A 70 8.469 14.809 -2.780 1.00 1.39 C ATOM 1086 CD PRO A 70 7.632 13.658 -3.333 1.00 1.20 C ATOM 0 HA PRO A 70 9.607 14.137 -5.841 1.00 1.26 H new ATOM 0 HB2 PRO A 70 10.165 15.790 -3.737 1.00 1.44 H new ATOM 0 HB3 PRO A 70 8.657 15.980 -4.610 1.00 1.44 H new ATOM 0 HG2 PRO A 70 9.137 14.479 -1.985 1.00 1.39 H new ATOM 0 HG3 PRO A 70 7.845 15.601 -2.364 1.00 1.39 H new ATOM 0 HD2 PRO A 70 7.466 12.897 -2.570 1.00 1.20 H new ATOM 0 HD3 PRO A 70 6.651 14.010 -3.652 1.00 1.20 H new ATOM 1094 N PRO A 71 11.974 13.747 -4.973 1.00 1.29 N ATOM 1095 CA PRO A 71 13.301 13.180 -4.735 1.00 1.23 C ATOM 1096 C PRO A 71 13.791 13.364 -3.298 1.00 1.36 C ATOM 1097 O PRO A 71 13.574 14.406 -2.684 1.00 1.53 O ATOM 1098 CB PRO A 71 14.223 13.858 -5.746 1.00 1.28 C ATOM 1099 CG PRO A 71 13.500 15.134 -6.158 1.00 1.41 C ATOM 1100 CD PRO A 71 12.034 14.744 -6.030 1.00 1.37 C ATOM 0 HA PRO A 71 13.282 12.098 -4.866 1.00 1.23 H new ATOM 0 HB2 PRO A 71 15.194 14.081 -5.304 1.00 1.28 H new ATOM 0 HB3 PRO A 71 14.405 13.214 -6.606 1.00 1.28 H new ATOM 0 HG2 PRO A 71 13.754 15.971 -5.508 1.00 1.41 H new ATOM 0 HG3 PRO A 71 13.752 15.432 -7.176 1.00 1.41 H new ATOM 0 HD2 PRO A 71 11.420 15.610 -5.784 1.00 1.37 H new ATOM 0 HD3 PRO A 71 11.654 14.340 -6.969 1.00 1.37 H new ATOM 1108 N LYS A 72 14.434 12.316 -2.756 1.00 1.33 N ATOM 1109 CA LYS A 72 14.946 12.204 -1.368 1.00 1.53 C ATOM 1110 C LYS A 72 13.855 12.248 -0.284 1.00 1.55 C ATOM 1111 O LYS A 72 14.134 12.167 0.912 1.00 1.77 O ATOM 1112 CB LYS A 72 16.071 13.223 -1.128 1.00 1.78 C ATOM 1113 CG LYS A 72 17.438 12.750 -1.626 1.00 2.54 C ATOM 1114 CD LYS A 72 17.476 12.147 -3.040 1.00 1.58 C ATOM 1115 CE LYS A 72 18.862 11.681 -3.495 1.00 2.44 C ATOM 1116 NZ LYS A 72 19.798 12.803 -3.709 1.00 1.90 N ATOM 0 H LYS A 72 14.624 11.474 -3.300 1.00 1.33 H new ATOM 0 HA LYS A 72 15.366 11.203 -1.270 1.00 1.53 H new ATOM 0 HB2 LYS A 72 15.815 14.159 -1.626 1.00 1.78 H new ATOM 0 HB3 LYS A 72 16.136 13.437 -0.061 1.00 1.78 H new ATOM 0 HG2 LYS A 72 18.125 13.596 -1.596 1.00 2.54 H new ATOM 0 HG3 LYS A 72 17.818 12.006 -0.926 1.00 2.54 H new ATOM 0 HD2 LYS A 72 16.791 11.300 -3.078 1.00 1.58 H new ATOM 0 HD3 LYS A 72 17.106 12.889 -3.748 1.00 1.58 H new ATOM 0 HE2 LYS A 72 19.277 11.004 -2.748 1.00 2.44 H new ATOM 0 HE3 LYS A 72 18.764 11.113 -4.420 1.00 2.44 H new ATOM 0 HZ1 LYS A 72 20.645 12.459 -4.205 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 19.335 13.537 -4.283 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 20.074 13.205 -2.790 1.00 1.90 H new ATOM 1130 N GLY A 73 12.607 12.351 -0.718 1.00 1.39 N ATOM 1131 CA GLY A 73 11.397 12.302 0.107 1.00 1.40 C ATOM 1132 C GLY A 73 10.986 10.877 0.483 1.00 1.33 C ATOM 1133 O GLY A 73 11.462 9.894 -0.087 1.00 1.33 O ATOM 0 H GLY A 73 12.394 12.478 -1.707 1.00 1.39 H new ATOM 0 HA2 GLY A 73 11.561 12.879 1.017 1.00 1.40 H new ATOM 0 HA3 GLY A 73 10.578 12.780 -0.430 1.00 1.40 H new ATOM 1137 N ARG A 74 10.062 10.777 1.442 1.00 1.38 N ATOM 1138 CA ARG A 74 9.357 9.548 1.822 1.00 1.28 C ATOM 1139 C ARG A 74 7.888 9.873 2.084 1.00 1.54 C ATOM 1140 O ARG A 74 7.578 10.992 2.484 1.00 1.93 O ATOM 1141 CB ARG A 74 10.036 8.847 3.020 1.00 1.71 C ATOM 1142 CG ARG A 74 10.294 9.700 4.280 1.00 1.59 C ATOM 1143 CD ARG A 74 9.142 9.901 5.267 1.00 2.02 C ATOM 1144 NE ARG A 74 8.611 8.673 5.879 1.00 2.39 N ATOM 1145 CZ ARG A 74 9.230 7.838 6.708 1.00 2.78 C ATOM 1146 NH1 ARG A 74 10.506 7.915 7.002 1.00 3.05 N ATOM 1147 NH2 ARG A 74 8.574 6.866 7.291 1.00 4.05 N ATOM 0 H ARG A 74 9.772 11.582 1.998 1.00 1.38 H new ATOM 0 HA ARG A 74 9.407 8.834 1.000 1.00 1.28 H new ATOM 0 HB2 ARG A 74 9.419 7.996 3.308 1.00 1.71 H new ATOM 0 HB3 ARG A 74 10.992 8.447 2.681 1.00 1.71 H new ATOM 0 HG2 ARG A 74 11.123 9.248 4.824 1.00 1.59 H new ATOM 0 HG3 ARG A 74 10.627 10.685 3.953 1.00 1.59 H new ATOM 0 HD2 ARG A 74 9.480 10.566 6.062 1.00 2.02 H new ATOM 0 HD3 ARG A 74 8.328 10.410 4.750 1.00 2.02 H new ATOM 0 HE ARG A 74 7.650 8.433 5.638 1.00 2.39 H new ATOM 0 HH11 ARG A 74 11.082 8.647 6.586 1.00 3.05 H new ATOM 0 HH12 ARG A 74 10.922 7.243 7.647 1.00 3.05 H new ATOM 0 HH21 ARG A 74 7.578 6.743 7.111 1.00 4.05 H new ATOM 0 HH22 ARG A 74 9.060 6.232 7.925 1.00 4.05 H new ATOM 1161 N VAL A 75 7.002 8.910 1.854 1.00 1.63 N ATOM 1162 CA VAL A 75 5.538 9.028 2.003 1.00 2.17 C ATOM 1163 C VAL A 75 5.011 7.650 2.386 1.00 1.82 C ATOM 1164 O VAL A 75 5.442 6.664 1.799 1.00 1.70 O ATOM 1165 CB VAL A 75 4.844 9.502 0.690 1.00 2.80 C ATOM 1166 CG1 VAL A 75 3.311 9.549 0.841 1.00 3.50 C ATOM 1167 CG2 VAL A 75 5.317 10.894 0.235 1.00 3.22 C ATOM 0 H VAL A 75 7.287 7.981 1.545 1.00 1.63 H new ATOM 0 HA VAL A 75 5.317 9.776 2.764 1.00 2.17 H new ATOM 0 HB VAL A 75 5.127 8.766 -0.062 1.00 2.80 H new ATOM 0 HG11 VAL A 75 2.863 9.884 -0.095 1.00 3.50 H new ATOM 0 HG12 VAL A 75 2.939 8.554 1.086 1.00 3.50 H new ATOM 0 HG13 VAL A 75 3.045 10.242 1.639 1.00 3.50 H new ATOM 0 HG21 VAL A 75 4.800 11.172 -0.684 1.00 3.22 H new ATOM 0 HG22 VAL A 75 5.095 11.626 1.012 1.00 3.22 H new ATOM 0 HG23 VAL A 75 6.392 10.872 0.054 1.00 3.22 H new ATOM 1177 N GLU A 76 4.103 7.551 3.354 1.00 1.79 N ATOM 1178 CA GLU A 76 3.589 6.262 3.822 1.00 1.50 C ATOM 1179 C GLU A 76 2.127 6.063 3.436 1.00 1.43 C ATOM 1180 O GLU A 76 1.269 6.913 3.715 1.00 1.81 O ATOM 1181 CB GLU A 76 3.743 6.052 5.340 1.00 1.72 C ATOM 1182 CG GLU A 76 4.917 6.763 6.031 1.00 1.95 C ATOM 1183 CD GLU A 76 4.787 8.282 6.010 1.00 1.83 C ATOM 1184 OE1 GLU A 76 3.641 8.790 5.978 1.00 2.65 O ATOM 1185 OE2 GLU A 76 5.856 8.913 5.912 1.00 2.44 O ATOM 0 H GLU A 76 3.703 8.356 3.835 1.00 1.79 H new ATOM 0 HA GLU A 76 4.206 5.517 3.320 1.00 1.50 H new ATOM 0 HB2 GLU A 76 2.821 6.377 5.821 1.00 1.72 H new ATOM 0 HB3 GLU A 76 3.840 4.982 5.525 1.00 1.72 H new ATOM 0 HG2 GLU A 76 4.983 6.423 7.065 1.00 1.95 H new ATOM 0 HG3 GLU A 76 5.848 6.476 5.541 1.00 1.95 H new ATOM 1192 N LEU A 77 1.836 4.880 2.891 1.00 1.06 N ATOM 1193 CA LEU A 77 0.486 4.396 2.668 1.00 1.03 C ATOM 1194 C LEU A 77 -0.168 4.042 4.017 1.00 1.41 C ATOM 1195 O LEU A 77 -0.215 2.903 4.453 1.00 2.37 O ATOM 1196 CB LEU A 77 0.520 3.239 1.649 1.00 0.69 C ATOM 1197 CG LEU A 77 0.783 3.700 0.195 1.00 0.69 C ATOM 1198 CD1 LEU A 77 2.232 3.465 -0.259 1.00 0.69 C ATOM 1199 CD2 LEU A 77 -0.179 2.997 -0.770 1.00 1.18 C ATOM 0 H LEU A 77 2.554 4.222 2.588 1.00 1.06 H new ATOM 0 HA LEU A 77 -0.144 5.169 2.228 1.00 1.03 H new ATOM 0 HB2 LEU A 77 1.295 2.531 1.942 1.00 0.69 H new ATOM 0 HB3 LEU A 77 -0.430 2.706 1.686 1.00 0.69 H new ATOM 0 HG LEU A 77 0.611 4.776 0.178 1.00 0.69 H new ATOM 0 HD11 LEU A 77 2.352 3.809 -1.286 1.00 0.69 H new ATOM 0 HD12 LEU A 77 2.911 4.018 0.390 1.00 0.69 H new ATOM 0 HD13 LEU A 77 2.463 2.401 -0.203 1.00 0.69 H new ATOM 0 HD21 LEU A 77 0.018 3.332 -1.788 1.00 1.18 H new ATOM 0 HD22 LEU A 77 -0.033 1.919 -0.708 1.00 1.18 H new ATOM 0 HD23 LEU A 77 -1.207 3.240 -0.501 1.00 1.18 H new ATOM 1211 N LYS A 78 -0.662 5.067 4.705 1.00 1.29 N ATOM 1212 CA LYS A 78 -1.318 4.978 6.009 1.00 1.56 C ATOM 1213 C LYS A 78 -2.790 4.514 5.910 1.00 1.45 C ATOM 1214 O LYS A 78 -3.483 4.916 4.971 1.00 1.25 O ATOM 1215 CB LYS A 78 -1.178 6.351 6.697 1.00 1.80 C ATOM 1216 CG LYS A 78 -1.831 7.517 5.912 1.00 1.50 C ATOM 1217 CD LYS A 78 -1.431 8.906 6.438 1.00 2.25 C ATOM 1218 CE LYS A 78 -0.195 9.520 5.750 1.00 1.86 C ATOM 1219 NZ LYS A 78 1.020 8.679 5.863 1.00 2.88 N ATOM 0 H LYS A 78 -0.615 6.024 4.355 1.00 1.29 H new ATOM 0 HA LYS A 78 -0.831 4.210 6.610 1.00 1.56 H new ATOM 0 HB2 LYS A 78 -1.628 6.297 7.689 1.00 1.80 H new ATOM 0 HB3 LYS A 78 -0.119 6.569 6.838 1.00 1.80 H new ATOM 0 HG2 LYS A 78 -1.551 7.440 4.861 1.00 1.50 H new ATOM 0 HG3 LYS A 78 -2.915 7.416 5.961 1.00 1.50 H new ATOM 0 HD2 LYS A 78 -2.275 9.584 6.313 1.00 2.25 H new ATOM 0 HD3 LYS A 78 -1.236 8.833 7.508 1.00 2.25 H new ATOM 0 HE2 LYS A 78 -0.419 9.683 4.696 1.00 1.86 H new ATOM 0 HE3 LYS A 78 0.007 10.498 6.187 1.00 1.86 H new ATOM 0 HZ1 LYS A 78 1.865 9.267 5.714 1.00 2.88 H new ATOM 0 HZ2 LYS A 78 1.059 8.251 6.810 1.00 2.88 H new ATOM 0 HZ3 LYS A 78 0.990 7.927 5.145 1.00 2.88 H new ATOM 1233 N PRO A 79 -3.320 3.761 6.900 1.00 1.96 N ATOM 1234 CA PRO A 79 -4.724 3.332 6.926 1.00 2.26 C ATOM 1235 C PRO A 79 -5.695 4.504 6.779 1.00 2.00 C ATOM 1236 O PRO A 79 -6.630 4.426 5.987 1.00 2.94 O ATOM 1237 CB PRO A 79 -4.919 2.577 8.248 1.00 2.91 C ATOM 1238 CG PRO A 79 -3.737 3.007 9.114 1.00 2.88 C ATOM 1239 CD PRO A 79 -2.636 3.279 8.094 1.00 2.54 C ATOM 0 HA PRO A 79 -4.945 2.687 6.075 1.00 2.26 H new ATOM 0 HB2 PRO A 79 -5.869 2.836 8.716 1.00 2.91 H new ATOM 0 HB3 PRO A 79 -4.924 1.498 8.092 1.00 2.91 H new ATOM 0 HG2 PRO A 79 -3.970 3.895 9.701 1.00 2.88 H new ATOM 0 HG3 PRO A 79 -3.449 2.226 9.818 1.00 2.88 H new ATOM 0 HD2 PRO A 79 -1.930 4.020 8.468 1.00 2.54 H new ATOM 0 HD3 PRO A 79 -2.066 2.375 7.881 1.00 2.54 H new ATOM 1247 N GLY A 80 -5.411 5.621 7.459 1.00 1.25 N ATOM 1248 CA GLY A 80 -6.113 6.891 7.282 1.00 1.26 C ATOM 1249 C GLY A 80 -5.621 7.688 6.073 1.00 1.30 C ATOM 1250 O GLY A 80 -5.253 8.847 6.243 1.00 2.29 O ATOM 0 H GLY A 80 -4.672 5.665 8.161 1.00 1.25 H new ATOM 0 HA2 GLY A 80 -7.180 6.697 7.171 1.00 1.26 H new ATOM 0 HA3 GLY A 80 -5.991 7.495 8.181 1.00 1.26 H new ATOM 1254 N GLY A 81 -5.602 7.093 4.870 1.00 0.93 N ATOM 1255 CA GLY A 81 -5.667 7.860 3.615 1.00 1.03 C ATOM 1256 C GLY A 81 -5.141 7.248 2.320 1.00 1.27 C ATOM 1257 O GLY A 81 -5.683 7.566 1.271 1.00 2.46 O ATOM 0 H GLY A 81 -5.542 6.083 4.739 1.00 0.93 H new ATOM 0 HA2 GLY A 81 -6.712 8.122 3.449 1.00 1.03 H new ATOM 0 HA3 GLY A 81 -5.126 8.792 3.776 1.00 1.03 H new ATOM 1261 N TYR A 82 -4.146 6.363 2.336 1.00 0.70 N ATOM 1262 CA TYR A 82 -3.709 5.623 1.141 1.00 0.67 C ATOM 1263 C TYR A 82 -3.213 4.238 1.496 1.00 0.66 C ATOM 1264 O TYR A 82 -2.493 4.068 2.463 1.00 0.71 O ATOM 1265 CB TYR A 82 -2.577 6.334 0.406 1.00 0.78 C ATOM 1266 CG TYR A 82 -3.009 7.623 -0.236 1.00 0.81 C ATOM 1267 CD1 TYR A 82 -3.664 7.584 -1.477 1.00 1.43 C ATOM 1268 CD2 TYR A 82 -2.851 8.840 0.447 1.00 2.14 C ATOM 1269 CE1 TYR A 82 -4.130 8.771 -2.060 1.00 1.43 C ATOM 1270 CE2 TYR A 82 -3.365 10.023 -0.105 1.00 2.21 C ATOM 1271 CZ TYR A 82 -3.998 9.998 -1.371 1.00 0.97 C ATOM 1272 OH TYR A 82 -4.498 11.144 -1.913 1.00 1.07 O ATOM 0 H TYR A 82 -3.616 6.134 3.177 1.00 0.70 H new ATOM 0 HA TYR A 82 -4.588 5.562 0.499 1.00 0.67 H new ATOM 0 HB2 TYR A 82 -1.768 6.538 1.107 1.00 0.78 H new ATOM 0 HB3 TYR A 82 -2.176 5.670 -0.360 1.00 0.78 H new ATOM 0 HD1 TYR A 82 -3.809 6.641 -1.982 1.00 1.43 H new ATOM 0 HD2 TYR A 82 -2.335 8.865 1.395 1.00 2.14 H new ATOM 0 HE1 TYR A 82 -4.590 8.748 -3.037 1.00 1.43 H new ATOM 0 HE2 TYR A 82 -3.278 10.953 0.436 1.00 2.21 H new ATOM 0 HH TYR A 82 -4.323 11.895 -1.309 1.00 1.07 H new ATOM 1282 N HIS A 83 -3.589 3.241 0.718 1.00 0.63 N ATOM 1283 CA HIS A 83 -3.210 1.845 0.965 1.00 0.62 C ATOM 1284 C HIS A 83 -3.366 0.970 -0.269 1.00 0.59 C ATOM 1285 O HIS A 83 -4.208 1.250 -1.120 1.00 0.61 O ATOM 1286 CB HIS A 83 -3.986 1.286 2.158 1.00 0.66 C ATOM 1287 CG HIS A 83 -5.465 1.180 1.944 1.00 0.61 C ATOM 1288 ND1 HIS A 83 -6.358 2.230 2.000 1.00 0.60 N ATOM 1289 CD2 HIS A 83 -6.158 0.057 1.576 1.00 0.62 C ATOM 1290 CE1 HIS A 83 -7.555 1.771 1.613 1.00 0.57 C ATOM 1291 NE2 HIS A 83 -7.477 0.457 1.361 1.00 0.59 N ATOM 0 H HIS A 83 -4.170 3.368 -0.111 1.00 0.63 H new ATOM 0 HA HIS A 83 -2.148 1.832 1.209 1.00 0.62 H new ATOM 0 HB2 HIS A 83 -3.595 0.297 2.398 1.00 0.66 H new ATOM 0 HB3 HIS A 83 -3.802 1.921 3.025 1.00 0.66 H new ATOM 0 HD2 HIS A 83 -5.761 -0.942 1.473 1.00 0.62 H new ATOM 0 HE1 HIS A 83 -8.449 2.370 1.518 1.00 0.57 H new ATOM 0 HE2 HIS A 83 -8.246 -0.144 1.065 1.00 0.59 H new ATOM 1299 N PHE A 84 -2.641 -0.142 -0.328 1.00 0.57 N ATOM 1300 CA PHE A 84 -2.982 -1.197 -1.272 1.00 0.60 C ATOM 1301 C PHE A 84 -4.062 -2.098 -0.661 1.00 0.66 C ATOM 1302 O PHE A 84 -4.030 -2.380 0.537 1.00 0.89 O ATOM 1303 CB PHE A 84 -1.728 -1.990 -1.646 1.00 0.61 C ATOM 1304 CG PHE A 84 -0.790 -1.171 -2.499 1.00 0.63 C ATOM 1305 CD1 PHE A 84 -1.014 -1.082 -3.885 1.00 1.69 C ATOM 1306 CD2 PHE A 84 0.240 -0.423 -1.903 1.00 1.79 C ATOM 1307 CE1 PHE A 84 -0.199 -0.252 -4.673 1.00 1.74 C ATOM 1308 CE2 PHE A 84 1.041 0.419 -2.689 1.00 1.82 C ATOM 1309 CZ PHE A 84 0.818 0.500 -4.071 1.00 0.83 C ATOM 0 H PHE A 84 -1.827 -0.334 0.256 1.00 0.57 H new ATOM 0 HA PHE A 84 -3.381 -0.762 -2.188 1.00 0.60 H new ATOM 0 HB2 PHE A 84 -1.213 -2.308 -0.739 1.00 0.61 H new ATOM 0 HB3 PHE A 84 -2.015 -2.894 -2.183 1.00 0.61 H new ATOM 0 HD1 PHE A 84 -1.810 -1.650 -4.342 1.00 1.69 H new ATOM 0 HD2 PHE A 84 0.415 -0.496 -0.840 1.00 1.79 H new ATOM 0 HE1 PHE A 84 -0.356 -0.194 -5.740 1.00 1.74 H new ATOM 0 HE2 PHE A 84 1.826 1.002 -2.231 1.00 1.82 H new ATOM 0 HZ PHE A 84 1.435 1.147 -4.676 1.00 0.83 H new ATOM 1319 N MET A 85 -4.970 -2.609 -1.492 1.00 0.48 N ATOM 1320 CA MET A 85 -5.835 -3.766 -1.223 1.00 0.43 C ATOM 1321 C MET A 85 -5.229 -5.003 -1.893 1.00 0.42 C ATOM 1322 O MET A 85 -4.865 -4.922 -3.061 1.00 0.51 O ATOM 1323 CB MET A 85 -7.245 -3.515 -1.770 1.00 0.47 C ATOM 1324 CG MET A 85 -8.308 -4.063 -0.810 1.00 0.63 C ATOM 1325 SD MET A 85 -8.493 -3.060 0.696 1.00 0.78 S ATOM 1326 CE MET A 85 -9.258 -4.273 1.818 1.00 0.69 C ATOM 0 H MET A 85 -5.133 -2.211 -2.417 1.00 0.48 H new ATOM 0 HA MET A 85 -5.906 -3.924 -0.147 1.00 0.43 H new ATOM 0 HB2 MET A 85 -7.398 -2.446 -1.917 1.00 0.47 H new ATOM 0 HB3 MET A 85 -7.351 -3.989 -2.746 1.00 0.47 H new ATOM 0 HG2 MET A 85 -9.266 -4.111 -1.327 1.00 0.63 H new ATOM 0 HG3 MET A 85 -8.045 -5.083 -0.530 1.00 0.63 H new ATOM 0 HE1 MET A 85 -9.436 -3.809 2.788 1.00 0.69 H new ATOM 0 HE2 MET A 85 -10.206 -4.610 1.398 1.00 0.69 H new ATOM 0 HE3 MET A 85 -8.591 -5.127 1.940 1.00 0.69 H new ATOM 1336 N LEU A 86 -5.117 -6.128 -1.190 1.00 0.44 N ATOM 1337 CA LEU A 86 -4.525 -7.376 -1.682 1.00 0.44 C ATOM 1338 C LEU A 86 -5.648 -8.407 -1.850 1.00 0.45 C ATOM 1339 O LEU A 86 -6.271 -8.792 -0.862 1.00 0.50 O ATOM 1340 CB LEU A 86 -3.473 -7.874 -0.670 1.00 0.46 C ATOM 1341 CG LEU A 86 -2.067 -7.246 -0.778 1.00 0.52 C ATOM 1342 CD1 LEU A 86 -2.029 -5.753 -0.421 1.00 0.98 C ATOM 1343 CD2 LEU A 86 -1.121 -7.990 0.177 1.00 1.15 C ATOM 0 H LEU A 86 -5.447 -6.201 -0.228 1.00 0.44 H new ATOM 0 HA LEU A 86 -4.031 -7.219 -2.641 1.00 0.44 H new ATOM 0 HB2 LEU A 86 -3.853 -7.692 0.335 1.00 0.46 H new ATOM 0 HB3 LEU A 86 -3.375 -8.954 -0.783 1.00 0.46 H new ATOM 0 HG LEU A 86 -1.762 -7.338 -1.820 1.00 0.52 H new ATOM 0 HD11 LEU A 86 -1.009 -5.381 -0.520 1.00 0.98 H new ATOM 0 HD12 LEU A 86 -2.683 -5.201 -1.095 1.00 0.98 H new ATOM 0 HD13 LEU A 86 -2.367 -5.616 0.606 1.00 0.98 H new ATOM 0 HD21 LEU A 86 -0.123 -7.557 0.111 1.00 1.15 H new ATOM 0 HD22 LEU A 86 -1.490 -7.899 1.199 1.00 1.15 H new ATOM 0 HD23 LEU A 86 -1.078 -9.043 -0.101 1.00 1.15 H new ATOM 1355 N LEU A 87 -5.926 -8.850 -3.077 1.00 0.52 N ATOM 1356 CA LEU A 87 -7.080 -9.696 -3.401 1.00 0.57 C ATOM 1357 C LEU A 87 -6.602 -11.108 -3.775 1.00 0.56 C ATOM 1358 O LEU A 87 -5.606 -11.278 -4.477 1.00 0.62 O ATOM 1359 CB LEU A 87 -7.856 -9.103 -4.603 1.00 0.69 C ATOM 1360 CG LEU A 87 -8.676 -7.807 -4.419 1.00 0.98 C ATOM 1361 CD1 LEU A 87 -9.816 -7.989 -3.411 1.00 1.55 C ATOM 1362 CD2 LEU A 87 -7.825 -6.602 -4.008 1.00 2.50 C ATOM 0 H LEU A 87 -5.348 -8.629 -3.888 1.00 0.52 H new ATOM 0 HA LEU A 87 -7.732 -9.741 -2.528 1.00 0.57 H new ATOM 0 HB2 LEU A 87 -7.134 -8.922 -5.399 1.00 0.69 H new ATOM 0 HB3 LEU A 87 -8.539 -9.873 -4.961 1.00 0.69 H new ATOM 0 HG LEU A 87 -9.094 -7.598 -5.404 1.00 0.98 H new ATOM 0 HD11 LEU A 87 -10.367 -7.054 -3.312 1.00 1.55 H new ATOM 0 HD12 LEU A 87 -10.489 -8.771 -3.761 1.00 1.55 H new ATOM 0 HD13 LEU A 87 -9.404 -8.272 -2.442 1.00 1.55 H new ATOM 0 HD21 LEU A 87 -8.464 -5.726 -3.896 1.00 2.50 H new ATOM 0 HD22 LEU A 87 -7.329 -6.813 -3.060 1.00 2.50 H new ATOM 0 HD23 LEU A 87 -7.075 -6.408 -4.774 1.00 2.50 H new ATOM 1374 N GLY A 88 -7.356 -12.124 -3.360 1.00 0.58 N ATOM 1375 CA GLY A 88 -7.119 -13.533 -3.711 1.00 0.65 C ATOM 1376 C GLY A 88 -5.798 -14.091 -3.176 1.00 0.85 C ATOM 1377 O GLY A 88 -4.957 -14.532 -3.957 1.00 1.77 O ATOM 0 H GLY A 88 -8.168 -11.993 -2.757 1.00 0.58 H new ATOM 0 HA2 GLY A 88 -7.940 -14.137 -3.325 1.00 0.65 H new ATOM 0 HA3 GLY A 88 -7.132 -13.634 -4.796 1.00 0.65 H new ATOM 1381 N LEU A 89 -5.584 -14.006 -1.862 1.00 0.45 N ATOM 1382 CA LEU A 89 -4.421 -14.539 -1.160 1.00 0.46 C ATOM 1383 C LEU A 89 -4.063 -15.982 -1.501 1.00 0.60 C ATOM 1384 O LEU A 89 -4.894 -16.822 -1.835 1.00 0.73 O ATOM 1385 CB LEU A 89 -4.521 -14.427 0.368 1.00 0.47 C ATOM 1386 CG LEU A 89 -4.990 -13.092 0.976 1.00 0.50 C ATOM 1387 CD1 LEU A 89 -4.858 -13.213 2.495 1.00 0.67 C ATOM 1388 CD2 LEU A 89 -4.215 -11.868 0.465 1.00 0.51 C ATOM 0 H LEU A 89 -6.244 -13.545 -1.235 1.00 0.45 H new ATOM 0 HA LEU A 89 -3.624 -13.894 -1.529 1.00 0.46 H new ATOM 0 HB2 LEU A 89 -5.200 -15.206 0.714 1.00 0.47 H new ATOM 0 HB3 LEU A 89 -3.539 -14.653 0.782 1.00 0.47 H new ATOM 0 HG LEU A 89 -6.022 -12.920 0.670 1.00 0.50 H new ATOM 0 HD11 LEU A 89 -5.182 -12.284 2.964 1.00 0.67 H new ATOM 0 HD12 LEU A 89 -5.480 -14.034 2.850 1.00 0.67 H new ATOM 0 HD13 LEU A 89 -3.818 -13.407 2.755 1.00 0.67 H new ATOM 0 HD21 LEU A 89 -4.604 -10.967 0.939 1.00 0.51 H new ATOM 0 HD22 LEU A 89 -3.158 -11.979 0.708 1.00 0.51 H new ATOM 0 HD23 LEU A 89 -4.332 -11.788 -0.616 1.00 0.51 H new ATOM 1400 N LYS A 90 -2.777 -16.258 -1.308 1.00 0.70 N ATOM 1401 CA LYS A 90 -2.190 -17.585 -1.489 1.00 0.81 C ATOM 1402 C LYS A 90 -2.016 -18.356 -0.173 1.00 1.02 C ATOM 1403 O LYS A 90 -1.992 -19.585 -0.159 1.00 1.22 O ATOM 1404 CB LYS A 90 -0.854 -17.448 -2.215 1.00 0.72 C ATOM 1405 CG LYS A 90 -0.867 -16.657 -3.538 1.00 0.70 C ATOM 1406 CD LYS A 90 -1.908 -17.161 -4.540 1.00 1.10 C ATOM 1407 CE LYS A 90 -1.692 -16.515 -5.916 1.00 1.13 C ATOM 1408 NZ LYS A 90 -2.396 -17.240 -7.004 1.00 1.75 N ATOM 0 H LYS A 90 -2.099 -15.554 -1.016 1.00 0.70 H new ATOM 0 HA LYS A 90 -2.886 -18.172 -2.088 1.00 0.81 H new ATOM 0 HB2 LYS A 90 -0.146 -16.969 -1.539 1.00 0.72 H new ATOM 0 HB3 LYS A 90 -0.473 -18.449 -2.420 1.00 0.72 H new ATOM 0 HG2 LYS A 90 -1.061 -15.606 -3.322 1.00 0.70 H new ATOM 0 HG3 LYS A 90 0.121 -16.711 -3.994 1.00 0.70 H new ATOM 0 HD2 LYS A 90 -1.841 -18.245 -4.627 1.00 1.10 H new ATOM 0 HD3 LYS A 90 -2.910 -16.931 -4.178 1.00 1.10 H new ATOM 0 HE2 LYS A 90 -2.041 -15.483 -5.887 1.00 1.13 H new ATOM 0 HE3 LYS A 90 -0.625 -16.485 -6.136 1.00 1.13 H new ATOM 0 HZ1 LYS A 90 -2.024 -16.930 -7.925 1.00 1.75 H new ATOM 0 HZ2 LYS A 90 -2.243 -18.263 -6.895 1.00 1.75 H new ATOM 0 HZ3 LYS A 90 -3.414 -17.035 -6.955 1.00 1.75 H new ATOM 1422 N ARG A 91 -1.872 -17.621 0.933 1.00 1.03 N ATOM 1423 CA ARG A 91 -1.710 -18.090 2.295 1.00 1.17 C ATOM 1424 C ARG A 91 -2.262 -17.055 3.299 1.00 0.82 C ATOM 1425 O ARG A 91 -2.193 -15.863 2.990 1.00 0.85 O ATOM 1426 CB ARG A 91 -0.215 -18.369 2.496 1.00 1.78 C ATOM 1427 CG ARG A 91 0.784 -17.188 2.529 1.00 1.28 C ATOM 1428 CD ARG A 91 0.858 -16.483 3.894 1.00 2.58 C ATOM 1429 NE ARG A 91 2.173 -15.878 4.200 1.00 3.32 N ATOM 1430 CZ ARG A 91 2.627 -15.677 5.441 1.00 4.53 C ATOM 1431 NH1 ARG A 91 1.903 -15.975 6.492 1.00 5.62 N ATOM 1432 NH2 ARG A 91 3.821 -15.190 5.697 1.00 5.30 N ATOM 0 H ARG A 91 -1.866 -16.602 0.886 1.00 1.03 H new ATOM 0 HA ARG A 91 -2.278 -19.003 2.473 1.00 1.17 H new ATOM 0 HB2 ARG A 91 -0.108 -18.913 3.434 1.00 1.78 H new ATOM 0 HB3 ARG A 91 0.101 -19.042 1.699 1.00 1.78 H new ATOM 0 HG2 ARG A 91 1.776 -17.554 2.264 1.00 1.28 H new ATOM 0 HG3 ARG A 91 0.499 -16.461 1.769 1.00 1.28 H new ATOM 0 HD2 ARG A 91 0.097 -15.704 3.928 1.00 2.58 H new ATOM 0 HD3 ARG A 91 0.613 -17.203 4.675 1.00 2.58 H new ATOM 0 HE ARG A 91 2.767 -15.598 3.419 1.00 3.32 H new ATOM 0 HH11 ARG A 91 0.970 -16.370 6.373 1.00 5.62 H new ATOM 0 HH12 ARG A 91 2.272 -15.812 7.429 1.00 5.62 H new ATOM 0 HH21 ARG A 91 4.448 -14.947 4.930 1.00 5.30 H new ATOM 0 HH22 ARG A 91 4.121 -15.055 6.663 1.00 5.30 H new ATOM 1446 N PRO A 92 -2.733 -17.461 4.496 1.00 0.86 N ATOM 1447 CA PRO A 92 -3.116 -16.541 5.564 1.00 1.03 C ATOM 1448 C PRO A 92 -1.873 -15.902 6.195 1.00 1.18 C ATOM 1449 O PRO A 92 -0.902 -16.602 6.490 1.00 1.52 O ATOM 1450 CB PRO A 92 -3.881 -17.400 6.578 1.00 1.24 C ATOM 1451 CG PRO A 92 -3.276 -18.792 6.404 1.00 1.16 C ATOM 1452 CD PRO A 92 -2.950 -18.843 4.911 1.00 0.98 C ATOM 0 HA PRO A 92 -3.728 -15.716 5.200 1.00 1.03 H new ATOM 0 HB2 PRO A 92 -3.750 -17.031 7.595 1.00 1.24 H new ATOM 0 HB3 PRO A 92 -4.952 -17.401 6.375 1.00 1.24 H new ATOM 0 HG2 PRO A 92 -2.384 -18.923 7.016 1.00 1.16 H new ATOM 0 HG3 PRO A 92 -3.978 -19.575 6.691 1.00 1.16 H new ATOM 0 HD2 PRO A 92 -2.063 -19.449 4.726 1.00 0.98 H new ATOM 0 HD3 PRO A 92 -3.767 -19.295 4.349 1.00 0.98 H new ATOM 1460 N LEU A 93 -1.905 -14.583 6.428 1.00 1.17 N ATOM 1461 CA LEU A 93 -0.814 -13.814 7.049 1.00 1.26 C ATOM 1462 C LEU A 93 -1.290 -13.042 8.287 1.00 1.44 C ATOM 1463 O LEU A 93 -2.265 -12.289 8.229 1.00 2.12 O ATOM 1464 CB LEU A 93 -0.096 -12.912 6.018 1.00 1.87 C ATOM 1465 CG LEU A 93 -0.903 -11.781 5.333 1.00 1.25 C ATOM 1466 CD1 LEU A 93 0.065 -10.809 4.644 1.00 2.24 C ATOM 1467 CD2 LEU A 93 -1.890 -12.291 4.275 1.00 1.19 C ATOM 0 H LEU A 93 -2.710 -14.005 6.184 1.00 1.17 H new ATOM 0 HA LEU A 93 -0.071 -14.528 7.406 1.00 1.26 H new ATOM 0 HB2 LEU A 93 0.758 -12.454 6.517 1.00 1.87 H new ATOM 0 HB3 LEU A 93 0.301 -13.557 5.234 1.00 1.87 H new ATOM 0 HG LEU A 93 -1.478 -11.295 6.121 1.00 1.25 H new ATOM 0 HD11 LEU A 93 -0.501 -10.012 4.161 1.00 2.24 H new ATOM 0 HD12 LEU A 93 0.737 -10.378 5.386 1.00 2.24 H new ATOM 0 HD13 LEU A 93 0.647 -11.345 3.895 1.00 2.24 H new ATOM 0 HD21 LEU A 93 -2.421 -11.447 3.836 1.00 1.19 H new ATOM 0 HD22 LEU A 93 -1.345 -12.822 3.495 1.00 1.19 H new ATOM 0 HD23 LEU A 93 -2.606 -12.967 4.742 1.00 1.19 H new ATOM 1479 N LYS A 94 -0.607 -13.259 9.420 1.00 1.20 N ATOM 1480 CA LYS A 94 -0.960 -12.699 10.723 1.00 1.47 C ATOM 1481 C LYS A 94 0.079 -11.717 11.273 1.00 1.36 C ATOM 1482 O LYS A 94 1.195 -11.627 10.774 1.00 1.77 O ATOM 1483 CB LYS A 94 -1.230 -13.852 11.695 1.00 1.81 C ATOM 1484 CG LYS A 94 0.084 -14.437 12.239 1.00 2.45 C ATOM 1485 CD LYS A 94 -0.075 -15.879 12.698 1.00 2.27 C ATOM 1486 CE LYS A 94 -0.257 -16.882 11.542 1.00 2.52 C ATOM 1487 NZ LYS A 94 0.940 -16.957 10.666 1.00 3.12 N ATOM 0 H LYS A 94 0.227 -13.845 9.451 1.00 1.20 H new ATOM 0 HA LYS A 94 -1.862 -12.099 10.599 1.00 1.47 H new ATOM 0 HB2 LYS A 94 -1.844 -13.498 12.523 1.00 1.81 H new ATOM 0 HB3 LYS A 94 -1.797 -14.633 11.189 1.00 1.81 H new ATOM 0 HG2 LYS A 94 0.850 -14.386 11.465 1.00 2.45 H new ATOM 0 HG3 LYS A 94 0.433 -13.828 13.073 1.00 2.45 H new ATOM 0 HD2 LYS A 94 0.801 -16.164 13.280 1.00 2.27 H new ATOM 0 HD3 LYS A 94 -0.935 -15.946 13.364 1.00 2.27 H new ATOM 0 HE2 LYS A 94 -0.467 -17.870 11.951 1.00 2.52 H new ATOM 0 HE3 LYS A 94 -1.123 -16.593 10.946 1.00 2.52 H new ATOM 0 HZ1 LYS A 94 0.888 -17.815 10.080 1.00 3.12 H new ATOM 0 HZ2 LYS A 94 0.973 -16.119 10.051 1.00 3.12 H new ATOM 0 HZ3 LYS A 94 1.798 -16.989 11.253 1.00 3.12 H new ATOM 1501 N ALA A 95 -0.291 -11.000 12.333 1.00 1.43 N ATOM 1502 CA ALA A 95 0.561 -9.997 12.955 1.00 1.49 C ATOM 1503 C ALA A 95 1.701 -10.682 13.715 1.00 1.48 C ATOM 1504 O ALA A 95 1.504 -11.727 14.333 1.00 1.66 O ATOM 1505 CB ALA A 95 -0.289 -9.081 13.843 1.00 1.94 C ATOM 0 H ALA A 95 -1.199 -11.103 12.786 1.00 1.43 H new ATOM 0 HA ALA A 95 1.024 -9.366 12.196 1.00 1.49 H new ATOM 0 HB1 ALA A 95 0.350 -8.330 14.308 1.00 1.94 H new ATOM 0 HB2 ALA A 95 -1.047 -8.586 13.235 1.00 1.94 H new ATOM 0 HB3 ALA A 95 -0.775 -9.674 14.618 1.00 1.94 H new ATOM 1511 N GLY A 96 2.886 -10.085 13.622 1.00 1.45 N ATOM 1512 CA GLY A 96 4.144 -10.640 14.140 1.00 1.60 C ATOM 1513 C GLY A 96 4.894 -11.526 13.138 1.00 1.60 C ATOM 1514 O GLY A 96 5.816 -12.229 13.532 1.00 1.87 O ATOM 0 H GLY A 96 3.007 -9.177 13.173 1.00 1.45 H new ATOM 0 HA2 GLY A 96 4.795 -9.819 14.441 1.00 1.60 H new ATOM 0 HA3 GLY A 96 3.930 -11.223 15.036 1.00 1.60 H new ATOM 1518 N GLU A 97 4.501 -11.503 11.861 1.00 1.45 N ATOM 1519 CA GLU A 97 5.314 -11.987 10.735 1.00 1.50 C ATOM 1520 C GLU A 97 5.991 -10.805 10.024 1.00 1.38 C ATOM 1521 O GLU A 97 5.735 -9.646 10.349 1.00 1.27 O ATOM 1522 CB GLU A 97 4.437 -12.749 9.725 1.00 1.45 C ATOM 1523 CG GLU A 97 3.724 -13.962 10.336 1.00 1.67 C ATOM 1524 CD GLU A 97 3.034 -14.810 9.268 1.00 1.40 C ATOM 1525 OE1 GLU A 97 3.719 -15.532 8.516 1.00 2.16 O ATOM 1526 OE2 GLU A 97 1.782 -14.847 9.203 1.00 2.33 O ATOM 0 H GLU A 97 3.592 -11.141 11.573 1.00 1.45 H new ATOM 0 HA GLU A 97 6.075 -12.660 11.129 1.00 1.50 H new ATOM 0 HB2 GLU A 97 3.692 -12.067 9.314 1.00 1.45 H new ATOM 0 HB3 GLU A 97 5.058 -13.082 8.893 1.00 1.45 H new ATOM 0 HG2 GLU A 97 4.446 -14.574 10.876 1.00 1.67 H new ATOM 0 HG3 GLU A 97 2.987 -13.622 11.063 1.00 1.67 H new ATOM 1533 N GLU A 98 6.768 -11.101 8.984 1.00 1.45 N ATOM 1534 CA GLU A 98 7.239 -10.204 7.953 1.00 1.25 C ATOM 1535 C GLU A 98 6.791 -10.851 6.638 1.00 1.21 C ATOM 1536 O GLU A 98 6.597 -12.064 6.549 1.00 1.44 O ATOM 1537 CB GLU A 98 8.769 -10.043 7.969 1.00 1.30 C ATOM 1538 CG GLU A 98 9.295 -9.235 9.159 1.00 2.50 C ATOM 1539 CD GLU A 98 10.784 -8.931 8.970 1.00 2.73 C ATOM 1540 OE1 GLU A 98 11.078 -8.089 8.090 1.00 3.39 O ATOM 1541 OE2 GLU A 98 11.599 -9.548 9.690 1.00 3.28 O ATOM 0 H GLU A 98 7.106 -12.052 8.837 1.00 1.45 H new ATOM 0 HA GLU A 98 6.837 -9.201 8.097 1.00 1.25 H new ATOM 0 HB2 GLU A 98 9.228 -11.031 7.982 1.00 1.30 H new ATOM 0 HB3 GLU A 98 9.083 -9.557 7.045 1.00 1.30 H new ATOM 0 HG2 GLU A 98 8.735 -8.305 9.253 1.00 2.50 H new ATOM 0 HG3 GLU A 98 9.144 -9.793 10.083 1.00 2.50 H new ATOM 1548 N VAL A 99 6.592 -10.010 5.640 1.00 0.99 N ATOM 1549 CA VAL A 99 6.115 -10.354 4.289 1.00 0.96 C ATOM 1550 C VAL A 99 6.742 -9.410 3.262 1.00 0.75 C ATOM 1551 O VAL A 99 6.946 -8.227 3.521 1.00 0.70 O ATOM 1552 CB VAL A 99 4.570 -10.309 4.189 1.00 1.02 C ATOM 1553 CG1 VAL A 99 4.030 -10.556 2.766 1.00 1.20 C ATOM 1554 CG2 VAL A 99 3.909 -11.360 5.102 1.00 1.19 C ATOM 0 H VAL A 99 6.765 -9.010 5.743 1.00 0.99 H new ATOM 0 HA VAL A 99 6.422 -11.378 4.078 1.00 0.96 H new ATOM 0 HB VAL A 99 4.316 -9.295 4.498 1.00 1.02 H new ATOM 0 HG11 VAL A 99 2.941 -10.509 2.777 1.00 1.20 H new ATOM 0 HG12 VAL A 99 4.420 -9.793 2.092 1.00 1.20 H new ATOM 0 HG13 VAL A 99 4.347 -11.541 2.422 1.00 1.20 H new ATOM 0 HG21 VAL A 99 2.825 -11.297 5.004 1.00 1.19 H new ATOM 0 HG22 VAL A 99 4.243 -12.356 4.811 1.00 1.19 H new ATOM 0 HG23 VAL A 99 4.191 -11.171 6.138 1.00 1.19 H new ATOM 1564 N GLU A 100 7.025 -9.960 2.081 1.00 0.80 N ATOM 1565 CA GLU A 100 7.597 -9.228 0.951 1.00 0.70 C ATOM 1566 C GLU A 100 6.537 -8.698 -0.030 1.00 0.69 C ATOM 1567 O GLU A 100 5.531 -9.354 -0.320 1.00 0.78 O ATOM 1568 CB GLU A 100 8.687 -10.042 0.230 1.00 0.89 C ATOM 1569 CG GLU A 100 8.255 -11.436 -0.238 1.00 1.64 C ATOM 1570 CD GLU A 100 9.221 -11.976 -1.292 1.00 1.63 C ATOM 1571 OE1 GLU A 100 10.451 -11.965 -1.085 1.00 2.18 O ATOM 1572 OE2 GLU A 100 8.771 -12.339 -2.401 1.00 2.38 O ATOM 0 H GLU A 100 6.860 -10.946 1.879 1.00 0.80 H new ATOM 0 HA GLU A 100 8.076 -8.348 1.380 1.00 0.70 H new ATOM 0 HB2 GLU A 100 9.029 -9.475 -0.636 1.00 0.89 H new ATOM 0 HB3 GLU A 100 9.541 -10.149 0.899 1.00 0.89 H new ATOM 0 HG2 GLU A 100 8.220 -12.116 0.613 1.00 1.64 H new ATOM 0 HG3 GLU A 100 7.247 -11.390 -0.651 1.00 1.64 H new ATOM 1579 N LEU A 101 6.801 -7.493 -0.543 1.00 0.67 N ATOM 1580 CA LEU A 101 6.002 -6.750 -1.511 1.00 0.68 C ATOM 1581 C LEU A 101 6.879 -6.255 -2.668 1.00 0.63 C ATOM 1582 O LEU A 101 8.095 -6.134 -2.530 1.00 0.88 O ATOM 1583 CB LEU A 101 5.369 -5.534 -0.815 1.00 0.81 C ATOM 1584 CG LEU A 101 4.350 -5.845 0.297 1.00 1.83 C ATOM 1585 CD1 LEU A 101 3.722 -4.535 0.773 1.00 2.34 C ATOM 1586 CD2 LEU A 101 3.203 -6.770 -0.123 1.00 2.73 C ATOM 0 H LEU A 101 7.639 -6.978 -0.271 1.00 0.67 H new ATOM 0 HA LEU A 101 5.229 -7.410 -1.906 1.00 0.68 H new ATOM 0 HB2 LEU A 101 6.168 -4.928 -0.388 1.00 0.81 H new ATOM 0 HB3 LEU A 101 4.876 -4.924 -1.572 1.00 0.81 H new ATOM 0 HG LEU A 101 4.914 -6.361 1.074 1.00 1.83 H new ATOM 0 HD11 LEU A 101 2.998 -4.744 1.561 1.00 2.34 H new ATOM 0 HD12 LEU A 101 4.501 -3.878 1.160 1.00 2.34 H new ATOM 0 HD13 LEU A 101 3.219 -4.048 -0.062 1.00 2.34 H new ATOM 0 HD21 LEU A 101 2.537 -6.932 0.725 1.00 2.73 H new ATOM 0 HD22 LEU A 101 2.646 -6.311 -0.940 1.00 2.73 H new ATOM 0 HD23 LEU A 101 3.609 -7.726 -0.453 1.00 2.73 H new ATOM 1598 N ASP A 102 6.234 -5.923 -3.778 1.00 0.78 N ATOM 1599 CA ASP A 102 6.810 -5.450 -5.042 1.00 0.73 C ATOM 1600 C ASP A 102 6.229 -4.063 -5.371 1.00 0.61 C ATOM 1601 O ASP A 102 5.009 -3.912 -5.405 1.00 0.81 O ATOM 1602 CB ASP A 102 6.389 -6.445 -6.139 1.00 1.04 C ATOM 1603 CG ASP A 102 6.946 -7.861 -5.963 1.00 1.55 C ATOM 1604 OD1 ASP A 102 8.155 -8.030 -6.238 1.00 1.66 O ATOM 1605 OD2 ASP A 102 6.138 -8.760 -5.629 1.00 2.80 O ATOM 0 H ASP A 102 5.217 -5.980 -3.828 1.00 0.78 H new ATOM 0 HA ASP A 102 7.896 -5.380 -4.975 1.00 0.73 H new ATOM 0 HB2 ASP A 102 5.301 -6.497 -6.165 1.00 1.04 H new ATOM 0 HB3 ASP A 102 6.713 -6.059 -7.105 1.00 1.04 H new ATOM 1610 N LEU A 103 7.050 -3.037 -5.615 1.00 0.50 N ATOM 1611 CA LEU A 103 6.625 -1.677 -5.956 1.00 0.47 C ATOM 1612 C LEU A 103 6.745 -1.435 -7.468 1.00 0.45 C ATOM 1613 O LEU A 103 7.843 -1.565 -8.009 1.00 0.51 O ATOM 1614 CB LEU A 103 7.536 -0.702 -5.189 1.00 0.58 C ATOM 1615 CG LEU A 103 7.159 -0.484 -3.713 1.00 0.66 C ATOM 1616 CD1 LEU A 103 7.196 -1.738 -2.831 1.00 0.83 C ATOM 1617 CD2 LEU A 103 8.117 0.561 -3.119 1.00 1.15 C ATOM 0 H LEU A 103 8.065 -3.135 -5.579 1.00 0.50 H new ATOM 0 HA LEU A 103 5.581 -1.528 -5.681 1.00 0.47 H new ATOM 0 HB2 LEU A 103 8.560 -1.072 -5.236 1.00 0.58 H new ATOM 0 HB3 LEU A 103 7.522 0.262 -5.698 1.00 0.58 H new ATOM 0 HG LEU A 103 6.119 -0.158 -3.716 1.00 0.66 H new ATOM 0 HD11 LEU A 103 6.914 -1.474 -1.812 1.00 0.83 H new ATOM 0 HD12 LEU A 103 6.497 -2.478 -3.221 1.00 0.83 H new ATOM 0 HD13 LEU A 103 8.203 -2.154 -2.833 1.00 0.83 H new ATOM 0 HD21 LEU A 103 7.867 0.730 -2.072 1.00 1.15 H new ATOM 0 HD22 LEU A 103 9.142 0.198 -3.193 1.00 1.15 H new ATOM 0 HD23 LEU A 103 8.022 1.496 -3.671 1.00 1.15 H new ATOM 1629 N LEU A 104 5.653 -1.045 -8.144 1.00 0.46 N ATOM 1630 CA LEU A 104 5.624 -0.781 -9.586 1.00 0.48 C ATOM 1631 C LEU A 104 5.599 0.733 -9.865 1.00 0.50 C ATOM 1632 O LEU A 104 4.606 1.433 -9.623 1.00 0.49 O ATOM 1633 CB LEU A 104 4.420 -1.495 -10.230 1.00 0.51 C ATOM 1634 CG LEU A 104 4.251 -2.998 -9.902 1.00 0.61 C ATOM 1635 CD1 LEU A 104 3.010 -3.545 -10.620 1.00 0.79 C ATOM 1636 CD2 LEU A 104 5.475 -3.827 -10.302 1.00 0.65 C ATOM 0 H LEU A 104 4.750 -0.902 -7.692 1.00 0.46 H new ATOM 0 HA LEU A 104 6.534 -1.179 -10.036 1.00 0.48 H new ATOM 0 HB2 LEU A 104 3.512 -0.975 -9.925 1.00 0.51 H new ATOM 0 HB3 LEU A 104 4.499 -1.389 -11.312 1.00 0.51 H new ATOM 0 HG LEU A 104 4.136 -3.082 -8.821 1.00 0.61 H new ATOM 0 HD11 LEU A 104 2.892 -4.604 -10.388 1.00 0.79 H new ATOM 0 HD12 LEU A 104 2.127 -3.000 -10.286 1.00 0.79 H new ATOM 0 HD13 LEU A 104 3.128 -3.420 -11.696 1.00 0.79 H new ATOM 0 HD21 LEU A 104 5.304 -4.874 -10.050 1.00 0.65 H new ATOM 0 HD22 LEU A 104 5.642 -3.735 -11.375 1.00 0.65 H new ATOM 0 HD23 LEU A 104 6.352 -3.463 -9.766 1.00 0.65 H new ATOM 1648 N PHE A 105 6.704 1.242 -10.404 1.00 0.57 N ATOM 1649 CA PHE A 105 6.914 2.652 -10.736 1.00 0.57 C ATOM 1650 C PHE A 105 6.883 2.872 -12.261 1.00 0.57 C ATOM 1651 O PHE A 105 7.402 2.062 -13.031 1.00 0.75 O ATOM 1652 CB PHE A 105 8.279 3.078 -10.190 1.00 0.61 C ATOM 1653 CG PHE A 105 8.447 3.095 -8.684 1.00 0.61 C ATOM 1654 CD1 PHE A 105 8.115 4.256 -7.963 1.00 1.89 C ATOM 1655 CD2 PHE A 105 9.062 2.009 -8.018 1.00 1.83 C ATOM 1656 CE1 PHE A 105 8.496 4.379 -6.616 1.00 1.95 C ATOM 1657 CE2 PHE A 105 9.410 2.125 -6.663 1.00 1.86 C ATOM 1658 CZ PHE A 105 9.155 3.318 -5.970 1.00 0.85 C ATOM 0 H PHE A 105 7.511 0.661 -10.631 1.00 0.57 H new ATOM 0 HA PHE A 105 6.116 3.246 -10.291 1.00 0.57 H new ATOM 0 HB2 PHE A 105 9.033 2.410 -10.607 1.00 0.61 H new ATOM 0 HB3 PHE A 105 8.496 4.078 -10.566 1.00 0.61 H new ATOM 0 HD1 PHE A 105 7.567 5.053 -8.444 1.00 1.89 H new ATOM 0 HD2 PHE A 105 9.264 1.092 -8.551 1.00 1.83 H new ATOM 0 HE1 PHE A 105 8.282 5.290 -6.076 1.00 1.95 H new ATOM 0 HE2 PHE A 105 9.875 1.294 -6.153 1.00 1.86 H new ATOM 0 HZ PHE A 105 9.465 3.421 -4.941 1.00 0.85 H new ATOM 1668 N ALA A 106 6.336 4.012 -12.698 1.00 0.57 N ATOM 1669 CA ALA A 106 6.265 4.387 -14.115 1.00 0.59 C ATOM 1670 C ALA A 106 7.658 4.429 -14.776 1.00 1.52 C ATOM 1671 O ALA A 106 8.612 4.985 -14.220 1.00 2.42 O ATOM 1672 CB ALA A 106 5.532 5.729 -14.244 1.00 1.15 C ATOM 0 H ALA A 106 5.927 4.706 -12.073 1.00 0.57 H new ATOM 0 HA ALA A 106 5.704 3.622 -14.651 1.00 0.59 H new ATOM 0 HB1 ALA A 106 5.476 6.013 -15.295 1.00 1.15 H new ATOM 0 HB2 ALA A 106 4.524 5.634 -13.840 1.00 1.15 H new ATOM 0 HB3 ALA A 106 6.074 6.495 -13.689 1.00 1.15 H new ATOM 1678 N GLY A 107 7.769 3.842 -15.974 1.00 2.18 N ATOM 1679 CA GLY A 107 9.025 3.735 -16.729 1.00 3.17 C ATOM 1680 C GLY A 107 9.844 2.480 -16.399 1.00 2.67 C ATOM 1681 O GLY A 107 11.058 2.586 -16.254 1.00 3.66 O ATOM 0 H GLY A 107 6.975 3.420 -16.455 1.00 2.18 H new ATOM 0 HA2 GLY A 107 8.798 3.739 -17.795 1.00 3.17 H new ATOM 0 HA3 GLY A 107 9.634 4.617 -16.530 1.00 3.17 H new ATOM 1685 N GLY A 108 9.193 1.319 -16.261 1.00 1.42 N ATOM 1686 CA GLY A 108 9.850 -0.003 -16.229 1.00 1.42 C ATOM 1687 C GLY A 108 10.540 -0.374 -14.913 1.00 1.29 C ATOM 1688 O GLY A 108 11.217 -1.394 -14.837 1.00 1.82 O ATOM 0 H GLY A 108 8.179 1.265 -16.167 1.00 1.42 H new ATOM 0 HA2 GLY A 108 9.103 -0.764 -16.452 1.00 1.42 H new ATOM 0 HA3 GLY A 108 10.590 -0.039 -17.028 1.00 1.42 H new ATOM 1692 N LYS A 109 10.392 0.440 -13.867 1.00 0.83 N ATOM 1693 CA LYS A 109 11.060 0.220 -12.580 1.00 0.78 C ATOM 1694 C LYS A 109 10.193 -0.618 -11.633 1.00 0.69 C ATOM 1695 O LYS A 109 9.092 -0.205 -11.273 1.00 0.77 O ATOM 1696 CB LYS A 109 11.413 1.583 -11.971 1.00 0.83 C ATOM 1697 CG LYS A 109 12.657 2.188 -12.644 1.00 1.12 C ATOM 1698 CD LYS A 109 12.622 3.723 -12.616 1.00 1.24 C ATOM 1699 CE LYS A 109 11.571 4.219 -13.621 1.00 2.41 C ATOM 1700 NZ LYS A 109 11.224 5.647 -13.454 1.00 3.20 N ATOM 0 H LYS A 109 9.804 1.273 -13.887 1.00 0.83 H new ATOM 0 HA LYS A 109 11.976 -0.350 -12.739 1.00 0.78 H new ATOM 0 HB2 LYS A 109 10.569 2.264 -12.082 1.00 0.83 H new ATOM 0 HB3 LYS A 109 11.593 1.471 -10.902 1.00 0.83 H new ATOM 0 HG2 LYS A 109 13.555 1.834 -12.137 1.00 1.12 H new ATOM 0 HG3 LYS A 109 12.717 1.843 -13.676 1.00 1.12 H new ATOM 0 HD2 LYS A 109 12.380 4.076 -11.613 1.00 1.24 H new ATOM 0 HD3 LYS A 109 13.603 4.126 -12.867 1.00 1.24 H new ATOM 0 HE2 LYS A 109 11.944 4.060 -14.633 1.00 2.41 H new ATOM 0 HE3 LYS A 109 10.667 3.619 -13.516 1.00 2.41 H new ATOM 0 HZ1 LYS A 109 10.220 5.790 -13.685 1.00 3.20 H new ATOM 0 HZ2 LYS A 109 11.397 5.933 -12.469 1.00 3.20 H new ATOM 0 HZ3 LYS A 109 11.811 6.224 -14.090 1.00 3.20 H new ATOM 1714 N VAL A 110 10.739 -1.753 -11.202 1.00 0.76 N ATOM 1715 CA VAL A 110 10.162 -2.649 -10.193 1.00 0.78 C ATOM 1716 C VAL A 110 11.171 -2.829 -9.058 1.00 0.89 C ATOM 1717 O VAL A 110 12.362 -2.991 -9.325 1.00 1.09 O ATOM 1718 CB VAL A 110 9.769 -4.028 -10.780 1.00 0.85 C ATOM 1719 CG1 VAL A 110 9.153 -4.959 -9.718 1.00 2.07 C ATOM 1720 CG2 VAL A 110 8.788 -3.854 -11.953 1.00 1.91 C ATOM 0 H VAL A 110 11.633 -2.091 -11.559 1.00 0.76 H new ATOM 0 HA VAL A 110 9.245 -2.193 -9.821 1.00 0.78 H new ATOM 0 HB VAL A 110 10.686 -4.495 -11.138 1.00 0.85 H new ATOM 0 HG11 VAL A 110 8.894 -5.913 -10.177 1.00 2.07 H new ATOM 0 HG12 VAL A 110 9.874 -5.125 -8.918 1.00 2.07 H new ATOM 0 HG13 VAL A 110 8.255 -4.498 -9.307 1.00 2.07 H new ATOM 0 HG21 VAL A 110 8.522 -4.832 -12.353 1.00 1.91 H new ATOM 0 HG22 VAL A 110 7.888 -3.349 -11.603 1.00 1.91 H new ATOM 0 HG23 VAL A 110 9.258 -3.257 -12.735 1.00 1.91 H new ATOM 1730 N LEU A 111 10.690 -2.787 -7.813 1.00 0.82 N ATOM 1731 CA LEU A 111 11.514 -2.924 -6.611 1.00 0.89 C ATOM 1732 C LEU A 111 10.821 -3.836 -5.591 1.00 0.92 C ATOM 1733 O LEU A 111 9.799 -3.464 -5.022 1.00 0.97 O ATOM 1734 CB LEU A 111 11.773 -1.505 -6.056 1.00 0.96 C ATOM 1735 CG LEU A 111 12.532 -1.442 -4.715 1.00 1.44 C ATOM 1736 CD1 LEU A 111 13.931 -2.067 -4.811 1.00 2.58 C ATOM 1737 CD2 LEU A 111 12.640 0.023 -4.270 1.00 1.57 C ATOM 0 H LEU A 111 9.699 -2.654 -7.609 1.00 0.82 H new ATOM 0 HA LEU A 111 12.470 -3.395 -6.840 1.00 0.89 H new ATOM 0 HB2 LEU A 111 12.337 -0.941 -6.799 1.00 0.96 H new ATOM 0 HB3 LEU A 111 10.814 -1.001 -5.934 1.00 0.96 H new ATOM 0 HG LEU A 111 11.972 -2.021 -3.981 1.00 1.44 H new ATOM 0 HD11 LEU A 111 14.427 -1.999 -3.843 1.00 2.58 H new ATOM 0 HD12 LEU A 111 13.843 -3.114 -5.101 1.00 2.58 H new ATOM 0 HD13 LEU A 111 14.518 -1.532 -5.558 1.00 2.58 H new ATOM 0 HD21 LEU A 111 13.176 0.077 -3.322 1.00 1.57 H new ATOM 0 HD22 LEU A 111 13.181 0.594 -5.025 1.00 1.57 H new ATOM 0 HD23 LEU A 111 11.641 0.440 -4.146 1.00 1.57 H new ATOM 1749 N LYS A 112 11.397 -5.013 -5.315 1.00 1.23 N ATOM 1750 CA LYS A 112 10.915 -5.875 -4.228 1.00 1.24 C ATOM 1751 C LYS A 112 11.499 -5.454 -2.859 1.00 1.27 C ATOM 1752 O LYS A 112 12.669 -5.078 -2.764 1.00 1.43 O ATOM 1753 CB LYS A 112 11.147 -7.359 -4.568 1.00 1.48 C ATOM 1754 CG LYS A 112 10.192 -8.240 -3.742 1.00 1.87 C ATOM 1755 CD LYS A 112 10.110 -9.704 -4.173 1.00 2.13 C ATOM 1756 CE LYS A 112 11.359 -10.497 -3.784 1.00 1.99 C ATOM 1757 NZ LYS A 112 11.074 -11.947 -3.801 1.00 2.57 N ATOM 0 H LYS A 112 12.195 -5.389 -5.827 1.00 1.23 H new ATOM 0 HA LYS A 112 9.837 -5.743 -4.133 1.00 1.24 H new ATOM 0 HB2 LYS A 112 10.983 -7.527 -5.632 1.00 1.48 H new ATOM 0 HB3 LYS A 112 12.181 -7.632 -4.358 1.00 1.48 H new ATOM 0 HG2 LYS A 112 10.503 -8.204 -2.698 1.00 1.87 H new ATOM 0 HG3 LYS A 112 9.192 -7.808 -3.792 1.00 1.87 H new ATOM 0 HD2 LYS A 112 9.234 -10.165 -3.718 1.00 2.13 H new ATOM 0 HD3 LYS A 112 9.972 -9.755 -5.253 1.00 2.13 H new ATOM 0 HE2 LYS A 112 12.171 -10.271 -4.475 1.00 1.99 H new ATOM 0 HE3 LYS A 112 11.693 -10.197 -2.791 1.00 1.99 H new ATOM 0 HZ1 LYS A 112 11.598 -12.413 -3.033 1.00 2.57 H new ATOM 0 HZ2 LYS A 112 10.054 -12.102 -3.669 1.00 2.57 H new ATOM 0 HZ3 LYS A 112 11.369 -12.348 -4.714 1.00 2.57 H new ATOM 1771 N VAL A 113 10.680 -5.527 -1.810 1.00 1.23 N ATOM 1772 CA VAL A 113 10.923 -5.019 -0.443 1.00 1.16 C ATOM 1773 C VAL A 113 10.399 -6.013 0.607 1.00 0.99 C ATOM 1774 O VAL A 113 9.683 -6.939 0.240 1.00 1.09 O ATOM 1775 CB VAL A 113 10.240 -3.643 -0.238 1.00 1.27 C ATOM 1776 CG1 VAL A 113 10.846 -2.560 -1.147 1.00 2.63 C ATOM 1777 CG2 VAL A 113 8.721 -3.683 -0.434 1.00 2.46 C ATOM 0 H VAL A 113 9.765 -5.971 -1.889 1.00 1.23 H new ATOM 0 HA VAL A 113 12.000 -4.903 -0.318 1.00 1.16 H new ATOM 0 HB VAL A 113 10.432 -3.386 0.804 1.00 1.27 H new ATOM 0 HG11 VAL A 113 10.338 -1.612 -0.971 1.00 2.63 H new ATOM 0 HG12 VAL A 113 11.907 -2.450 -0.924 1.00 2.63 H new ATOM 0 HG13 VAL A 113 10.722 -2.850 -2.190 1.00 2.63 H new ATOM 0 HG21 VAL A 113 8.307 -2.687 -0.276 1.00 2.46 H new ATOM 0 HG22 VAL A 113 8.493 -4.013 -1.447 1.00 2.46 H new ATOM 0 HG23 VAL A 113 8.280 -4.377 0.282 1.00 2.46 H new ATOM 1787 N VAL A 114 10.695 -5.801 1.897 1.00 0.87 N ATOM 1788 CA VAL A 114 10.170 -6.604 3.017 1.00 0.75 C ATOM 1789 C VAL A 114 9.727 -5.693 4.165 1.00 0.78 C ATOM 1790 O VAL A 114 10.377 -4.683 4.440 1.00 1.01 O ATOM 1791 CB VAL A 114 11.186 -7.680 3.474 1.00 0.97 C ATOM 1792 CG1 VAL A 114 12.466 -7.090 4.092 1.00 1.96 C ATOM 1793 CG2 VAL A 114 10.530 -8.690 4.425 1.00 2.43 C ATOM 0 H VAL A 114 11.318 -5.052 2.200 1.00 0.87 H new ATOM 0 HA VAL A 114 9.290 -7.146 2.669 1.00 0.75 H new ATOM 0 HB VAL A 114 11.499 -8.203 2.570 1.00 0.97 H new ATOM 0 HG11 VAL A 114 13.133 -7.899 4.390 1.00 1.96 H new ATOM 0 HG12 VAL A 114 12.967 -6.459 3.358 1.00 1.96 H new ATOM 0 HG13 VAL A 114 12.206 -6.494 4.967 1.00 1.96 H new ATOM 0 HG21 VAL A 114 11.266 -9.434 4.730 1.00 2.43 H new ATOM 0 HG22 VAL A 114 10.154 -8.169 5.306 1.00 2.43 H new ATOM 0 HG23 VAL A 114 9.703 -9.185 3.916 1.00 2.43 H new ATOM 1803 N LEU A 115 8.580 -6.014 4.772 1.00 0.77 N ATOM 1804 CA LEU A 115 7.919 -5.246 5.835 1.00 1.01 C ATOM 1805 C LEU A 115 7.277 -6.208 6.859 1.00 0.96 C ATOM 1806 O LEU A 115 6.869 -7.313 6.469 1.00 0.97 O ATOM 1807 CB LEU A 115 6.832 -4.328 5.233 1.00 1.26 C ATOM 1808 CG LEU A 115 7.343 -3.288 4.207 1.00 2.13 C ATOM 1809 CD1 LEU A 115 7.170 -3.775 2.762 1.00 2.51 C ATOM 1810 CD2 LEU A 115 6.581 -1.970 4.354 1.00 3.06 C ATOM 0 H LEU A 115 8.061 -6.857 4.524 1.00 0.77 H new ATOM 0 HA LEU A 115 8.665 -4.631 6.338 1.00 1.01 H new ATOM 0 HB2 LEU A 115 6.079 -4.951 4.751 1.00 1.26 H new ATOM 0 HB3 LEU A 115 6.335 -3.799 6.046 1.00 1.26 H new ATOM 0 HG LEU A 115 8.404 -3.144 4.413 1.00 2.13 H new ATOM 0 HD11 LEU A 115 7.541 -3.015 2.075 1.00 2.51 H new ATOM 0 HD12 LEU A 115 7.732 -4.698 2.620 1.00 2.51 H new ATOM 0 HD13 LEU A 115 6.114 -3.958 2.564 1.00 2.51 H new ATOM 0 HD21 LEU A 115 6.954 -1.251 3.625 1.00 3.06 H new ATOM 0 HD22 LEU A 115 5.519 -2.143 4.183 1.00 3.06 H new ATOM 0 HD23 LEU A 115 6.727 -1.576 5.360 1.00 3.06 H new ATOM 1822 N PRO A 116 7.111 -5.793 8.132 1.00 0.99 N ATOM 1823 CA PRO A 116 6.369 -6.539 9.144 1.00 1.04 C ATOM 1824 C PRO A 116 4.861 -6.571 8.878 1.00 0.97 C ATOM 1825 O PRO A 116 4.282 -5.671 8.271 1.00 0.98 O ATOM 1826 CB PRO A 116 6.688 -5.852 10.478 1.00 1.17 C ATOM 1827 CG PRO A 116 6.974 -4.409 10.064 1.00 1.13 C ATOM 1828 CD PRO A 116 7.688 -4.595 8.729 1.00 1.05 C ATOM 0 HA PRO A 116 6.669 -7.587 9.141 1.00 1.04 H new ATOM 0 HB2 PRO A 116 5.851 -5.914 11.174 1.00 1.17 H new ATOM 0 HB3 PRO A 116 7.547 -6.308 10.971 1.00 1.17 H new ATOM 0 HG2 PRO A 116 6.059 -3.826 9.959 1.00 1.13 H new ATOM 0 HG3 PRO A 116 7.599 -3.892 10.792 1.00 1.13 H new ATOM 0 HD2 PRO A 116 7.543 -3.728 8.084 1.00 1.05 H new ATOM 0 HD3 PRO A 116 8.762 -4.709 8.873 1.00 1.05 H new ATOM 1836 N VAL A 117 4.196 -7.603 9.388 1.00 0.97 N ATOM 1837 CA VAL A 117 2.735 -7.643 9.499 1.00 1.01 C ATOM 1838 C VAL A 117 2.346 -7.149 10.899 1.00 1.20 C ATOM 1839 O VAL A 117 2.811 -7.687 11.906 1.00 1.29 O ATOM 1840 CB VAL A 117 2.175 -9.057 9.246 1.00 1.03 C ATOM 1841 CG1 VAL A 117 0.644 -9.046 9.084 1.00 1.05 C ATOM 1842 CG2 VAL A 117 2.768 -9.728 7.997 1.00 0.98 C ATOM 0 H VAL A 117 4.656 -8.443 9.739 1.00 0.97 H new ATOM 0 HA VAL A 117 2.303 -6.997 8.735 1.00 1.01 H new ATOM 0 HB VAL A 117 2.462 -9.628 10.129 1.00 1.03 H new ATOM 0 HG11 VAL A 117 0.290 -10.061 8.907 1.00 1.05 H new ATOM 0 HG12 VAL A 117 0.185 -8.654 9.992 1.00 1.05 H new ATOM 0 HG13 VAL A 117 0.372 -8.415 8.238 1.00 1.05 H new ATOM 0 HG21 VAL A 117 2.333 -10.720 7.875 1.00 0.98 H new ATOM 0 HG22 VAL A 117 2.544 -9.123 7.118 1.00 0.98 H new ATOM 0 HG23 VAL A 117 3.848 -9.817 8.110 1.00 0.98 H new ATOM 1852 N GLU A 118 1.472 -6.144 10.968 1.00 1.36 N ATOM 1853 CA GLU A 118 0.966 -5.548 12.208 1.00 1.55 C ATOM 1854 C GLU A 118 -0.499 -5.159 11.995 1.00 1.90 C ATOM 1855 O GLU A 118 -0.872 -4.704 10.916 1.00 2.43 O ATOM 1856 CB GLU A 118 1.766 -4.301 12.623 1.00 1.70 C ATOM 1857 CG GLU A 118 3.221 -4.570 13.030 1.00 1.94 C ATOM 1858 CD GLU A 118 3.858 -3.281 13.544 1.00 3.04 C ATOM 1859 OE1 GLU A 118 3.458 -2.802 14.627 1.00 3.45 O ATOM 1860 OE2 GLU A 118 4.657 -2.671 12.798 1.00 4.32 O ATOM 0 H GLU A 118 1.082 -5.706 10.133 1.00 1.36 H new ATOM 0 HA GLU A 118 1.069 -6.283 13.007 1.00 1.55 H new ATOM 0 HB2 GLU A 118 1.761 -3.592 11.795 1.00 1.70 H new ATOM 0 HB3 GLU A 118 1.254 -3.820 13.457 1.00 1.70 H new ATOM 0 HG2 GLU A 118 3.257 -5.338 13.803 1.00 1.94 H new ATOM 0 HG3 GLU A 118 3.783 -4.950 12.177 1.00 1.94 H new