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 HE2:sc= -0.977 X(o=-1.4,f=-1.6) USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.44 X(o=-1.4,f=-1.5) USER MOD Single : A 11 SER OG : rot 15:sc= 1.23 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot -85:sc= 1.15 USER MOD Single : A 24 ASN : amide:sc= 0.363 K(o=0.36,f=-4.8!) USER MOD Single : A 37 THR OG1 : rot 91:sc= 0.256 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc=-0.00893 (180deg=-0.811!) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 0.834 (180deg=0.00878) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -174:sc= 0 (180deg=-0.0612) USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0.76 (180deg=-0.0449!) USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= -0.519 (180deg=-0.715) 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+ 152:sc= 2.16 (180deg=1.09) USER MOD Single : A 94 LYS NZ :NH3+ -117:sc= 1.15 (180deg=-1.11!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 154:sc= -0.558! (180deg=-2.49!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.260 3.087 7.341 1.00 2.05 N ATOM 56 CA GLU A 5 8.948 1.687 7.065 1.00 1.12 C ATOM 57 C GLU A 5 7.445 1.493 7.295 1.00 1.07 C ATOM 58 O GLU A 5 6.900 1.987 8.290 1.00 1.68 O ATOM 59 CB GLU A 5 9.609 0.758 8.084 1.00 2.14 C ATOM 60 CG GLU A 5 11.140 0.706 8.206 1.00 3.24 C ATOM 61 CD GLU A 5 11.529 0.139 9.576 1.00 4.53 C ATOM 62 OE1 GLU A 5 10.681 -0.529 10.204 1.00 5.47 O ATOM 63 OE2 GLU A 5 12.590 0.482 10.132 1.00 5.27 O ATOM 0 HA GLU A 5 9.285 1.461 6.053 1.00 1.12 H new ATOM 0 HB2 GLU A 5 9.216 1.023 9.065 1.00 2.14 H new ATOM 0 HB3 GLU A 5 9.268 -0.254 7.867 1.00 2.14 H new ATOM 0 HG2 GLU A 5 11.557 0.085 7.413 1.00 3.24 H new ATOM 0 HG3 GLU A 5 11.559 1.705 8.083 1.00 3.24 H new ATOM 70 N GLY A 6 6.775 0.716 6.443 1.00 1.20 N ATOM 71 CA GLY A 6 5.313 0.604 6.469 1.00 1.34 C ATOM 72 C GLY A 6 4.880 -0.847 6.423 1.00 1.28 C ATOM 73 O GLY A 6 5.445 -1.639 5.674 1.00 2.20 O ATOM 0 H GLY A 6 7.223 0.151 5.722 1.00 1.20 H new ATOM 0 HA2 GLY A 6 4.924 1.075 7.372 1.00 1.34 H new ATOM 0 HA3 GLY A 6 4.888 1.141 5.621 1.00 1.34 H new ATOM 77 N TRP A 7 3.891 -1.197 7.241 1.00 1.05 N ATOM 78 CA TRP A 7 3.499 -2.583 7.513 1.00 0.87 C ATOM 79 C TRP A 7 2.309 -3.090 6.669 1.00 0.78 C ATOM 80 O TRP A 7 1.658 -2.337 5.941 1.00 0.78 O ATOM 81 CB TRP A 7 3.238 -2.718 9.023 1.00 0.85 C ATOM 82 CG TRP A 7 2.175 -1.831 9.595 1.00 0.92 C ATOM 83 CD1 TRP A 7 0.912 -2.207 9.897 1.00 1.02 C ATOM 84 CD2 TRP A 7 2.285 -0.433 10.009 1.00 1.31 C ATOM 85 NE1 TRP A 7 0.241 -1.144 10.465 1.00 1.29 N ATOM 86 CE2 TRP A 7 1.030 -0.022 10.547 1.00 1.49 C ATOM 87 CE3 TRP A 7 3.324 0.524 10.018 1.00 1.73 C ATOM 88 CZ2 TRP A 7 0.815 1.256 11.078 1.00 1.97 C ATOM 89 CZ3 TRP A 7 3.116 1.819 10.529 1.00 2.23 C ATOM 90 CH2 TRP A 7 1.866 2.185 11.064 1.00 2.33 C ATOM 0 H TRP A 7 3.326 -0.513 7.745 1.00 1.05 H new ATOM 0 HA TRP A 7 4.321 -3.230 7.208 1.00 0.87 H new ATOM 0 HB2 TRP A 7 2.969 -3.753 9.232 1.00 0.85 H new ATOM 0 HB3 TRP A 7 4.171 -2.518 9.551 1.00 0.85 H new ATOM 0 HD1 TRP A 7 0.494 -3.187 9.721 1.00 1.02 H new ATOM 0 HE1 TRP A 7 -0.726 -1.186 10.786 1.00 1.29 H new ATOM 0 HE3 TRP A 7 4.294 0.258 9.626 1.00 1.73 H new ATOM 0 HZ2 TRP A 7 -0.146 1.522 11.492 1.00 1.97 H new ATOM 0 HZ3 TRP A 7 3.922 2.538 10.511 1.00 2.23 H new ATOM 0 HH2 TRP A 7 1.717 3.178 11.462 1.00 2.33 H new ATOM 101 N VAL A 8 2.017 -4.383 6.786 1.00 0.85 N ATOM 102 CA VAL A 8 0.798 -5.050 6.289 1.00 0.87 C ATOM 103 C VAL A 8 -0.153 -5.288 7.480 1.00 0.94 C ATOM 104 O VAL A 8 0.334 -5.492 8.590 1.00 1.25 O ATOM 105 CB VAL A 8 1.154 -6.387 5.596 1.00 0.97 C ATOM 106 CG1 VAL A 8 -0.073 -7.087 4.988 1.00 1.07 C ATOM 107 CG2 VAL A 8 2.215 -6.199 4.493 1.00 1.02 C ATOM 0 H VAL A 8 2.650 -5.033 7.252 1.00 0.85 H new ATOM 0 HA VAL A 8 0.307 -4.417 5.550 1.00 0.87 H new ATOM 0 HB VAL A 8 1.559 -7.020 6.386 1.00 0.97 H new ATOM 0 HG11 VAL A 8 0.237 -8.019 4.516 1.00 1.07 H new ATOM 0 HG12 VAL A 8 -0.796 -7.302 5.775 1.00 1.07 H new ATOM 0 HG13 VAL A 8 -0.530 -6.437 4.242 1.00 1.07 H new ATOM 0 HG21 VAL A 8 2.436 -7.162 4.033 1.00 1.02 H new ATOM 0 HG22 VAL A 8 1.835 -5.513 3.736 1.00 1.02 H new ATOM 0 HG23 VAL A 8 3.125 -5.789 4.930 1.00 1.02 H new ATOM 117 N ARG A 9 -1.479 -5.262 7.260 1.00 0.92 N ATOM 118 CA ARG A 9 -2.499 -5.515 8.292 1.00 1.06 C ATOM 119 C ARG A 9 -2.526 -6.991 8.752 1.00 1.17 C ATOM 120 O ARG A 9 -1.715 -7.406 9.569 1.00 2.24 O ATOM 121 CB ARG A 9 -3.874 -4.997 7.813 1.00 1.33 C ATOM 122 CG ARG A 9 -4.059 -3.486 8.012 1.00 1.68 C ATOM 123 CD ARG A 9 -4.456 -3.096 9.447 1.00 2.59 C ATOM 124 NE ARG A 9 -5.805 -3.587 9.802 1.00 2.57 N ATOM 125 CZ ARG A 9 -6.655 -3.027 10.663 1.00 3.35 C ATOM 126 NH1 ARG A 9 -6.353 -1.992 11.415 1.00 4.53 N ATOM 127 NH2 ARG A 9 -7.869 -3.522 10.769 1.00 3.95 N ATOM 0 H ARG A 9 -1.879 -5.061 6.343 1.00 0.92 H new ATOM 0 HA ARG A 9 -2.230 -4.953 9.187 1.00 1.06 H new ATOM 0 HB2 ARG A 9 -3.995 -5.234 6.756 1.00 1.33 H new ATOM 0 HB3 ARG A 9 -4.661 -5.526 8.351 1.00 1.33 H new ATOM 0 HG2 ARG A 9 -3.131 -2.978 7.750 1.00 1.68 H new ATOM 0 HG3 ARG A 9 -4.824 -3.128 7.323 1.00 1.68 H new ATOM 0 HD2 ARG A 9 -3.727 -3.502 10.148 1.00 2.59 H new ATOM 0 HD3 ARG A 9 -4.427 -2.011 9.549 1.00 2.59 H new ATOM 0 HE ARG A 9 -6.117 -4.442 9.341 1.00 2.57 H new ATOM 0 HH11 ARG A 9 -5.425 -1.574 11.358 1.00 4.53 H new ATOM 0 HH12 ARG A 9 -7.047 -1.607 12.056 1.00 4.53 H new ATOM 0 HH21 ARG A 9 -8.146 -4.321 10.198 1.00 3.95 H new ATOM 0 HH22 ARG A 9 -8.534 -3.107 11.422 1.00 3.95 H new ATOM 141 N PHE A 10 -3.511 -7.770 8.281 1.00 0.90 N ATOM 142 CA PHE A 10 -3.919 -9.094 8.767 1.00 0.88 C ATOM 143 C PHE A 10 -5.240 -9.475 8.085 1.00 0.84 C ATOM 144 O PHE A 10 -6.196 -8.702 8.143 1.00 0.94 O ATOM 145 CB PHE A 10 -4.092 -9.093 10.301 1.00 1.01 C ATOM 146 CG PHE A 10 -4.749 -10.341 10.853 1.00 1.09 C ATOM 147 CD1 PHE A 10 -3.979 -11.500 11.044 1.00 1.96 C ATOM 148 CD2 PHE A 10 -6.124 -10.357 11.151 1.00 1.85 C ATOM 149 CE1 PHE A 10 -4.579 -12.675 11.529 1.00 2.00 C ATOM 150 CE2 PHE A 10 -6.727 -11.531 11.637 1.00 2.00 C ATOM 151 CZ PHE A 10 -5.954 -12.693 11.826 1.00 1.38 C ATOM 0 H PHE A 10 -4.084 -7.468 7.493 1.00 0.90 H new ATOM 0 HA PHE A 10 -3.145 -9.822 8.524 1.00 0.88 H new ATOM 0 HB2 PHE A 10 -3.113 -8.976 10.766 1.00 1.01 H new ATOM 0 HB3 PHE A 10 -4.687 -8.226 10.588 1.00 1.01 H new ATOM 0 HD1 PHE A 10 -2.923 -11.488 10.818 1.00 1.96 H new ATOM 0 HD2 PHE A 10 -6.717 -9.466 11.006 1.00 1.85 H new ATOM 0 HE1 PHE A 10 -3.984 -13.565 11.674 1.00 2.00 H new ATOM 0 HE2 PHE A 10 -7.783 -11.541 11.865 1.00 2.00 H new ATOM 0 HZ PHE A 10 -6.416 -13.596 12.198 1.00 1.38 H new ATOM 161 N SER A 11 -5.304 -10.649 7.458 1.00 0.90 N ATOM 162 CA SER A 11 -6.501 -11.227 6.820 1.00 0.95 C ATOM 163 C SER A 11 -6.191 -12.664 6.358 1.00 1.10 C ATOM 164 O SER A 11 -5.050 -12.916 5.950 1.00 1.18 O ATOM 165 CB SER A 11 -6.974 -10.405 5.605 1.00 1.10 C ATOM 166 OG SER A 11 -7.582 -9.175 5.961 1.00 2.00 O ATOM 0 H SER A 11 -4.489 -11.256 7.373 1.00 0.90 H new ATOM 0 HA SER A 11 -7.300 -11.219 7.561 1.00 0.95 H new ATOM 0 HB2 SER A 11 -6.121 -10.206 4.956 1.00 1.10 H new ATOM 0 HB3 SER A 11 -7.683 -10.999 5.027 1.00 1.10 H new ATOM 0 HG SER A 11 -7.371 -8.964 6.894 1.00 2.00 H new ATOM 172 N PRO A 12 -7.160 -13.601 6.407 1.00 1.28 N ATOM 173 CA PRO A 12 -6.950 -14.984 5.982 1.00 1.41 C ATOM 174 C PRO A 12 -7.068 -15.158 4.461 1.00 1.39 C ATOM 175 O PRO A 12 -6.376 -15.993 3.881 1.00 1.53 O ATOM 176 CB PRO A 12 -8.038 -15.780 6.712 1.00 1.62 C ATOM 177 CG PRO A 12 -9.197 -14.792 6.823 1.00 1.63 C ATOM 178 CD PRO A 12 -8.492 -13.444 6.987 1.00 1.46 C ATOM 0 HA PRO A 12 -5.943 -15.323 6.224 1.00 1.41 H new ATOM 0 HB2 PRO A 12 -8.324 -16.672 6.154 1.00 1.62 H new ATOM 0 HB3 PRO A 12 -7.700 -16.113 7.693 1.00 1.62 H new ATOM 0 HG2 PRO A 12 -9.829 -14.811 5.935 1.00 1.63 H new ATOM 0 HG3 PRO A 12 -9.838 -15.017 7.675 1.00 1.63 H new ATOM 0 HD2 PRO A 12 -9.045 -12.653 6.481 1.00 1.46 H new ATOM 0 HD3 PRO A 12 -8.427 -13.165 8.039 1.00 1.46 H new ATOM 186 N GLY A 13 -7.947 -14.378 3.827 1.00 1.33 N ATOM 187 CA GLY A 13 -8.366 -14.514 2.433 1.00 1.39 C ATOM 188 C GLY A 13 -9.845 -14.132 2.254 1.00 1.46 C ATOM 189 O GLY A 13 -10.553 -13.999 3.250 1.00 1.54 O ATOM 0 H GLY A 13 -8.407 -13.598 4.296 1.00 1.33 H new ATOM 0 HA2 GLY A 13 -7.745 -13.879 1.801 1.00 1.39 H new ATOM 0 HA3 GLY A 13 -8.211 -15.541 2.103 1.00 1.39 H new ATOM 193 N PRO A 14 -10.329 -13.939 1.009 1.00 1.49 N ATOM 194 CA PRO A 14 -9.587 -14.038 -0.249 1.00 1.47 C ATOM 195 C PRO A 14 -8.692 -12.815 -0.520 1.00 1.33 C ATOM 196 O PRO A 14 -7.988 -12.789 -1.531 1.00 1.33 O ATOM 197 CB PRO A 14 -10.678 -14.165 -1.318 1.00 1.60 C ATOM 198 CG PRO A 14 -11.810 -13.306 -0.752 1.00 1.60 C ATOM 199 CD PRO A 14 -11.716 -13.582 0.749 1.00 1.57 C ATOM 0 HA PRO A 14 -8.897 -14.882 -0.234 1.00 1.47 H new ATOM 0 HB2 PRO A 14 -10.339 -13.799 -2.287 1.00 1.60 H new ATOM 0 HB3 PRO A 14 -10.988 -15.201 -1.459 1.00 1.60 H new ATOM 0 HG2 PRO A 14 -11.670 -12.249 -0.980 1.00 1.60 H new ATOM 0 HG3 PRO A 14 -12.780 -13.594 -1.158 1.00 1.60 H new ATOM 0 HD2 PRO A 14 -12.007 -12.704 1.325 1.00 1.57 H new ATOM 0 HD3 PRO A 14 -12.387 -14.390 1.039 1.00 1.57 H new ATOM 207 N ASN A 15 -8.708 -11.805 0.356 1.00 1.22 N ATOM 208 CA ASN A 15 -8.059 -10.514 0.179 1.00 1.02 C ATOM 209 C ASN A 15 -7.562 -9.902 1.506 1.00 0.92 C ATOM 210 O ASN A 15 -7.948 -10.312 2.597 1.00 1.11 O ATOM 211 CB ASN A 15 -9.018 -9.581 -0.587 1.00 1.03 C ATOM 212 CG ASN A 15 -10.350 -9.278 0.087 1.00 1.29 C ATOM 213 OD1 ASN A 15 -10.727 -9.830 1.108 1.00 1.91 O ATOM 214 ND2 ASN A 15 -11.116 -8.379 -0.507 1.00 1.70 N ATOM 0 H ASN A 15 -9.198 -11.875 1.248 1.00 1.22 H new ATOM 0 HA ASN A 15 -7.152 -10.654 -0.410 1.00 1.02 H new ATOM 0 HB2 ASN A 15 -8.504 -8.637 -0.768 1.00 1.03 H new ATOM 0 HB3 ASN A 15 -9.221 -10.025 -1.561 1.00 1.03 H new ATOM 0 HD21 ASN A 15 -12.027 -8.144 -0.112 1.00 1.70 H new ATOM 0 HD22 ASN A 15 -10.796 -7.920 -1.360 1.00 1.70 H new ATOM 221 N ALA A 16 -6.677 -8.911 1.384 1.00 0.71 N ATOM 222 CA ALA A 16 -5.981 -8.196 2.471 1.00 0.61 C ATOM 223 C ALA A 16 -5.685 -6.725 2.093 1.00 0.47 C ATOM 224 O ALA A 16 -6.105 -6.263 1.034 1.00 0.44 O ATOM 225 CB ALA A 16 -4.707 -8.975 2.848 1.00 0.58 C ATOM 0 H ALA A 16 -6.405 -8.559 0.466 1.00 0.71 H new ATOM 0 HA ALA A 16 -6.630 -8.149 3.345 1.00 0.61 H new ATOM 0 HB1 ALA A 16 -4.186 -8.454 3.651 1.00 0.58 H new ATOM 0 HB2 ALA A 16 -4.978 -9.977 3.182 1.00 0.58 H new ATOM 0 HB3 ALA A 16 -4.054 -9.047 1.978 1.00 0.58 H new ATOM 231 N ALA A 17 -4.975 -5.969 2.939 1.00 0.47 N ATOM 232 CA ALA A 17 -4.544 -4.591 2.664 1.00 0.42 C ATOM 233 C ALA A 17 -3.158 -4.309 3.289 1.00 0.45 C ATOM 234 O ALA A 17 -2.857 -4.839 4.365 1.00 0.68 O ATOM 235 CB ALA A 17 -5.600 -3.630 3.228 1.00 0.56 C ATOM 0 H ALA A 17 -4.677 -6.305 3.855 1.00 0.47 H new ATOM 0 HA ALA A 17 -4.449 -4.446 1.588 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -5.297 -2.601 3.033 1.00 0.56 H new ATOM 0 HB2 ALA A 17 -6.560 -3.822 2.749 1.00 0.56 H new ATOM 0 HB3 ALA A 17 -5.694 -3.783 4.303 1.00 0.56 H new ATOM 241 N ALA A 18 -2.340 -3.449 2.663 1.00 0.40 N ATOM 242 CA ALA A 18 -0.977 -3.097 3.087 1.00 0.45 C ATOM 243 C ALA A 18 -0.681 -1.589 2.979 1.00 0.44 C ATOM 244 O ALA A 18 -1.041 -0.938 1.996 1.00 0.43 O ATOM 245 CB ALA A 18 0.023 -3.889 2.237 1.00 0.51 C ATOM 0 H ALA A 18 -2.622 -2.960 1.813 1.00 0.40 H new ATOM 0 HA ALA A 18 -0.882 -3.354 4.142 1.00 0.45 H new ATOM 0 HB1 ALA A 18 1.039 -3.637 2.541 1.00 0.51 H new ATOM 0 HB2 ALA A 18 -0.144 -4.957 2.379 1.00 0.51 H new ATOM 0 HB3 ALA A 18 -0.114 -3.637 1.185 1.00 0.51 H new ATOM 251 N TYR A 19 -0.009 -1.053 3.999 1.00 0.59 N ATOM 252 CA TYR A 19 0.209 0.373 4.299 1.00 0.74 C ATOM 253 C TYR A 19 1.647 0.862 4.000 1.00 1.04 C ATOM 254 O TYR A 19 2.110 1.819 4.621 1.00 2.20 O ATOM 255 CB TYR A 19 -0.127 0.590 5.797 1.00 0.68 C ATOM 256 CG TYR A 19 -1.532 0.271 6.292 1.00 0.89 C ATOM 257 CD1 TYR A 19 -2.623 0.193 5.405 1.00 1.55 C ATOM 258 CD2 TYR A 19 -1.763 0.126 7.671 1.00 2.39 C ATOM 259 CE1 TYR A 19 -3.935 0.004 5.880 1.00 1.61 C ATOM 260 CE2 TYR A 19 -3.067 -0.075 8.165 1.00 2.72 C ATOM 261 CZ TYR A 19 -4.162 -0.118 7.270 1.00 1.62 C ATOM 262 OH TYR A 19 -5.429 -0.265 7.749 1.00 2.01 O ATOM 0 H TYR A 19 0.435 -1.650 4.697 1.00 0.59 H new ATOM 0 HA TYR A 19 -0.438 0.960 3.646 1.00 0.74 H new ATOM 0 HB2 TYR A 19 0.572 -0.009 6.381 1.00 0.68 H new ATOM 0 HB3 TYR A 19 0.075 1.635 6.032 1.00 0.68 H new ATOM 0 HD1 TYR A 19 -2.450 0.280 4.342 1.00 1.55 H new ATOM 0 HD2 TYR A 19 -0.932 0.169 8.359 1.00 2.39 H new ATOM 0 HE1 TYR A 19 -4.762 -0.047 5.187 1.00 1.61 H new ATOM 0 HE2 TYR A 19 -3.231 -0.196 9.226 1.00 2.72 H new ATOM 0 HH TYR A 19 -5.979 -0.729 7.083 1.00 2.01 H new ATOM 272 N LEU A 20 2.384 0.183 3.108 1.00 0.97 N ATOM 273 CA LEU A 20 3.847 0.302 2.982 1.00 0.98 C ATOM 274 C LEU A 20 4.420 1.706 2.683 1.00 0.91 C ATOM 275 O LEU A 20 3.738 2.588 2.159 1.00 0.87 O ATOM 276 CB LEU A 20 4.413 -0.756 2.015 1.00 1.09 C ATOM 277 CG LEU A 20 4.314 -0.452 0.507 1.00 1.00 C ATOM 278 CD1 LEU A 20 5.205 -1.432 -0.267 1.00 2.25 C ATOM 279 CD2 LEU A 20 2.871 -0.569 0.013 1.00 1.66 C ATOM 0 H LEU A 20 1.976 -0.474 2.443 1.00 0.97 H new ATOM 0 HA LEU A 20 4.198 0.108 3.995 1.00 0.98 H new ATOM 0 HB2 LEU A 20 5.464 -0.912 2.261 1.00 1.09 H new ATOM 0 HB3 LEU A 20 3.898 -1.698 2.205 1.00 1.09 H new ATOM 0 HG LEU A 20 4.649 0.572 0.338 1.00 1.00 H new ATOM 0 HD11 LEU A 20 5.138 -1.220 -1.334 1.00 2.25 H new ATOM 0 HD12 LEU A 20 6.239 -1.320 0.061 1.00 2.25 H new ATOM 0 HD13 LEU A 20 4.873 -2.453 -0.078 1.00 2.25 H new ATOM 0 HD21 LEU A 20 2.833 -0.349 -1.054 1.00 1.66 H new ATOM 0 HD22 LEU A 20 2.507 -1.582 0.188 1.00 1.66 H new ATOM 0 HD23 LEU A 20 2.243 0.140 0.552 1.00 1.66 H new ATOM 291 N THR A 21 5.721 1.858 2.972 1.00 1.02 N ATOM 292 CA THR A 21 6.560 3.034 2.696 1.00 1.04 C ATOM 293 C THR A 21 7.021 3.080 1.243 1.00 1.34 C ATOM 294 O THR A 21 7.215 2.037 0.620 1.00 1.88 O ATOM 295 CB THR A 21 7.758 3.036 3.661 1.00 1.33 C ATOM 296 OG1 THR A 21 7.187 3.283 4.913 1.00 1.48 O ATOM 297 CG2 THR A 21 8.867 4.049 3.373 1.00 1.79 C ATOM 0 H THR A 21 6.248 1.117 3.433 1.00 1.02 H new ATOM 0 HA THR A 21 5.963 3.932 2.857 1.00 1.04 H new ATOM 0 HB THR A 21 8.283 2.085 3.570 1.00 1.33 H new ATOM 0 HG1 THR A 21 7.085 4.249 5.041 1.00 1.48 H new ATOM 0 HG21 THR A 21 9.653 3.951 4.122 1.00 1.79 H new ATOM 0 HG22 THR A 21 9.283 3.861 2.383 1.00 1.79 H new ATOM 0 HG23 THR A 21 8.456 5.058 3.408 1.00 1.79 H new ATOM 305 N LEU A 22 7.218 4.309 0.750 1.00 1.19 N ATOM 306 CA LEU A 22 7.716 4.655 -0.579 1.00 1.59 C ATOM 307 C LEU A 22 8.734 5.811 -0.486 1.00 1.33 C ATOM 308 O LEU A 22 8.487 6.848 0.140 1.00 1.17 O ATOM 309 CB LEU A 22 6.514 5.037 -1.476 1.00 2.09 C ATOM 310 CG LEU A 22 6.231 4.147 -2.692 1.00 2.88 C ATOM 311 CD1 LEU A 22 7.422 4.114 -3.651 1.00 3.16 C ATOM 312 CD2 LEU A 22 5.808 2.726 -2.289 1.00 3.44 C ATOM 0 H LEU A 22 7.020 5.139 1.308 1.00 1.19 H new ATOM 0 HA LEU A 22 8.231 3.801 -1.018 1.00 1.59 H new ATOM 0 HB2 LEU A 22 5.620 5.051 -0.853 1.00 2.09 H new ATOM 0 HB3 LEU A 22 6.670 6.055 -1.833 1.00 2.09 H new ATOM 0 HG LEU A 22 5.388 4.596 -3.217 1.00 2.88 H new ATOM 0 HD11 LEU A 22 7.187 3.474 -4.501 1.00 3.16 H new ATOM 0 HD12 LEU A 22 7.633 5.123 -4.004 1.00 3.16 H new ATOM 0 HD13 LEU A 22 8.296 3.721 -3.132 1.00 3.16 H new ATOM 0 HD21 LEU A 22 5.619 2.135 -3.185 1.00 3.44 H new ATOM 0 HD22 LEU A 22 6.604 2.260 -1.708 1.00 3.44 H new ATOM 0 HD23 LEU A 22 4.900 2.773 -1.687 1.00 3.44 H new ATOM 324 N GLU A 23 9.869 5.647 -1.163 1.00 1.41 N ATOM 325 CA GLU A 23 10.963 6.619 -1.222 1.00 1.23 C ATOM 326 C GLU A 23 11.490 6.783 -2.650 1.00 1.19 C ATOM 327 O GLU A 23 11.269 5.936 -3.519 1.00 1.61 O ATOM 328 CB GLU A 23 12.109 6.226 -0.267 1.00 1.48 C ATOM 329 CG GLU A 23 12.789 4.889 -0.609 1.00 2.93 C ATOM 330 CD GLU A 23 14.182 4.810 0.015 1.00 3.65 C ATOM 331 OE1 GLU A 23 15.083 5.488 -0.536 1.00 4.64 O ATOM 332 OE2 GLU A 23 14.321 4.081 1.021 1.00 4.11 O ATOM 0 H GLU A 23 10.060 4.805 -1.705 1.00 1.41 H new ATOM 0 HA GLU A 23 10.561 7.579 -0.898 1.00 1.23 H new ATOM 0 HB2 GLU A 23 12.861 7.015 -0.277 1.00 1.48 H new ATOM 0 HB3 GLU A 23 11.717 6.171 0.749 1.00 1.48 H new ATOM 0 HG2 GLU A 23 12.177 4.062 -0.248 1.00 2.93 H new ATOM 0 HG3 GLU A 23 12.864 4.781 -1.691 1.00 2.93 H new ATOM 339 N ASN A 24 12.220 7.872 -2.883 1.00 0.91 N ATOM 340 CA ASN A 24 13.001 8.082 -4.092 1.00 0.88 C ATOM 341 C ASN A 24 14.435 8.509 -3.716 1.00 0.85 C ATOM 342 O ASN A 24 14.670 9.689 -3.440 1.00 0.91 O ATOM 343 CB ASN A 24 12.302 9.140 -4.950 1.00 1.01 C ATOM 344 CG ASN A 24 12.895 9.194 -6.351 1.00 1.14 C ATOM 345 OD1 ASN A 24 13.938 8.624 -6.645 1.00 1.76 O ATOM 346 ND2 ASN A 24 12.224 9.857 -7.268 1.00 1.16 N ATOM 0 H ASN A 24 12.284 8.646 -2.222 1.00 0.91 H new ATOM 0 HA ASN A 24 13.073 7.160 -4.668 1.00 0.88 H new ATOM 0 HB2 ASN A 24 11.237 8.916 -5.012 1.00 1.01 H new ATOM 0 HB3 ASN A 24 12.395 10.117 -4.475 1.00 1.01 H new ATOM 0 HD21 ASN A 24 12.572 9.897 -8.226 1.00 1.16 H new ATOM 0 HD22 ASN A 24 11.355 10.331 -7.021 1.00 1.16 H new ATOM 353 N PRO A 25 15.408 7.581 -3.718 1.00 0.92 N ATOM 354 CA PRO A 25 16.813 7.908 -3.490 1.00 1.03 C ATOM 355 C PRO A 25 17.499 8.512 -4.729 1.00 1.13 C ATOM 356 O PRO A 25 18.609 9.034 -4.616 1.00 1.24 O ATOM 357 CB PRO A 25 17.450 6.574 -3.086 1.00 1.18 C ATOM 358 CG PRO A 25 16.622 5.543 -3.854 1.00 1.20 C ATOM 359 CD PRO A 25 15.220 6.142 -3.842 1.00 1.02 C ATOM 0 HA PRO A 25 16.923 8.677 -2.726 1.00 1.03 H new ATOM 0 HB2 PRO A 25 18.503 6.531 -3.363 1.00 1.18 H new ATOM 0 HB3 PRO A 25 17.396 6.412 -2.009 1.00 1.18 H new ATOM 0 HG2 PRO A 25 16.992 5.405 -4.870 1.00 1.20 H new ATOM 0 HG3 PRO A 25 16.647 4.566 -3.371 1.00 1.20 H new ATOM 0 HD2 PRO A 25 14.681 5.895 -4.756 1.00 1.02 H new ATOM 0 HD3 PRO A 25 14.634 5.750 -3.011 1.00 1.02 H new ATOM 367 N GLY A 26 16.857 8.467 -5.905 1.00 1.14 N ATOM 368 CA GLY A 26 17.381 8.983 -7.164 1.00 1.26 C ATOM 369 C GLY A 26 17.060 10.457 -7.388 1.00 1.09 C ATOM 370 O GLY A 26 16.583 11.167 -6.504 1.00 1.25 O ATOM 0 H GLY A 26 15.929 8.056 -6.002 1.00 1.14 H new ATOM 0 HA2 GLY A 26 18.462 8.846 -7.184 1.00 1.26 H new ATOM 0 HA3 GLY A 26 16.971 8.399 -7.988 1.00 1.26 H new ATOM 374 N ASP A 27 17.390 10.914 -8.591 1.00 1.20 N ATOM 375 CA ASP A 27 17.471 12.314 -8.994 1.00 1.47 C ATOM 376 C ASP A 27 16.403 12.682 -10.038 1.00 1.48 C ATOM 377 O ASP A 27 16.255 13.835 -10.432 1.00 1.69 O ATOM 378 CB ASP A 27 18.889 12.472 -9.546 1.00 1.90 C ATOM 379 CG ASP A 27 19.921 12.303 -8.424 1.00 2.29 C ATOM 380 OD1 ASP A 27 20.230 13.298 -7.739 1.00 2.60 O ATOM 381 OD2 ASP A 27 20.277 11.143 -8.106 1.00 3.32 O ATOM 0 H ASP A 27 17.622 10.280 -9.356 1.00 1.20 H new ATOM 0 HA ASP A 27 17.277 12.988 -8.160 1.00 1.47 H new ATOM 0 HB2 ASP A 27 19.067 11.732 -10.327 1.00 1.90 H new ATOM 0 HB3 ASP A 27 19.000 13.454 -10.006 1.00 1.90 H new ATOM 386 N LEU A 28 15.623 11.681 -10.447 1.00 1.32 N ATOM 387 CA LEU A 28 14.496 11.757 -11.372 1.00 1.35 C ATOM 388 C LEU A 28 13.229 11.179 -10.716 1.00 1.32 C ATOM 389 O LEU A 28 13.351 10.349 -9.810 1.00 1.36 O ATOM 390 CB LEU A 28 14.923 11.078 -12.687 1.00 1.44 C ATOM 391 CG LEU A 28 15.252 9.569 -12.631 1.00 2.37 C ATOM 392 CD1 LEU A 28 14.006 8.670 -12.733 1.00 2.96 C ATOM 393 CD2 LEU A 28 16.186 9.209 -13.798 1.00 3.25 C ATOM 0 H LEU A 28 15.775 10.728 -10.116 1.00 1.32 H new ATOM 0 HA LEU A 28 14.228 12.785 -11.616 1.00 1.35 H new ATOM 0 HB2 LEU A 28 14.125 11.223 -13.416 1.00 1.44 H new ATOM 0 HB3 LEU A 28 15.801 11.601 -13.067 1.00 1.44 H new ATOM 0 HG LEU A 28 15.718 9.391 -11.662 1.00 2.37 H new ATOM 0 HD11 LEU A 28 14.308 7.624 -12.687 1.00 2.96 H new ATOM 0 HD12 LEU A 28 13.330 8.889 -11.906 1.00 2.96 H new ATOM 0 HD13 LEU A 28 13.497 8.860 -13.678 1.00 2.96 H new ATOM 0 HD21 LEU A 28 16.420 8.145 -13.762 1.00 3.25 H new ATOM 0 HD22 LEU A 28 15.694 9.440 -14.743 1.00 3.25 H new ATOM 0 HD23 LEU A 28 17.107 9.786 -13.718 1.00 3.25 H new ATOM 405 N PRO A 29 12.019 11.601 -11.125 1.00 1.30 N ATOM 406 CA PRO A 29 10.792 11.286 -10.405 1.00 1.24 C ATOM 407 C PRO A 29 10.329 9.841 -10.628 1.00 1.17 C ATOM 408 O PRO A 29 10.678 9.184 -11.615 1.00 1.31 O ATOM 409 CB PRO A 29 9.764 12.314 -10.881 1.00 1.31 C ATOM 410 CG PRO A 29 10.220 12.634 -12.304 1.00 1.39 C ATOM 411 CD PRO A 29 11.743 12.489 -12.241 1.00 1.33 C ATOM 0 HA PRO A 29 10.941 11.347 -9.327 1.00 1.24 H new ATOM 0 HB2 PRO A 29 8.752 11.909 -10.864 1.00 1.31 H new ATOM 0 HB3 PRO A 29 9.762 13.203 -10.250 1.00 1.31 H new ATOM 0 HG2 PRO A 29 9.782 11.947 -13.028 1.00 1.39 H new ATOM 0 HG3 PRO A 29 9.926 13.641 -12.601 1.00 1.39 H new ATOM 0 HD2 PRO A 29 12.134 12.078 -13.172 1.00 1.33 H new ATOM 0 HD3 PRO A 29 12.221 13.458 -12.095 1.00 1.33 H new ATOM 419 N LEU A 30 9.513 9.366 -9.685 1.00 1.05 N ATOM 420 CA LEU A 30 8.851 8.067 -9.697 1.00 0.95 C ATOM 421 C LEU A 30 7.342 8.247 -9.683 1.00 0.88 C ATOM 422 O LEU A 30 6.811 9.179 -9.086 1.00 0.93 O ATOM 423 CB LEU A 30 9.261 7.236 -8.465 1.00 0.91 C ATOM 424 CG LEU A 30 10.707 6.741 -8.537 1.00 0.85 C ATOM 425 CD1 LEU A 30 11.196 6.320 -7.143 1.00 1.66 C ATOM 426 CD2 LEU A 30 10.936 5.571 -9.498 1.00 2.02 C ATOM 0 H LEU A 30 9.287 9.908 -8.851 1.00 1.05 H new ATOM 0 HA LEU A 30 9.154 7.544 -10.604 1.00 0.95 H new ATOM 0 HB2 LEU A 30 9.133 7.840 -7.567 1.00 0.91 H new ATOM 0 HB3 LEU A 30 8.593 6.380 -8.372 1.00 0.91 H new ATOM 0 HG LEU A 30 11.273 7.588 -8.925 1.00 0.85 H new ATOM 0 HD11 LEU A 30 12.226 5.970 -7.209 1.00 1.66 H new ATOM 0 HD12 LEU A 30 11.145 7.173 -6.467 1.00 1.66 H new ATOM 0 HD13 LEU A 30 10.564 5.518 -6.763 1.00 1.66 H new ATOM 0 HD21 LEU A 30 11.989 5.288 -9.483 1.00 2.02 H new ATOM 0 HD22 LEU A 30 10.328 4.721 -9.188 1.00 2.02 H new ATOM 0 HD23 LEU A 30 10.655 5.869 -10.508 1.00 2.02 H new ATOM 438 N ARG A 31 6.690 7.245 -10.253 1.00 0.80 N ATOM 439 CA ARG A 31 5.229 7.106 -10.295 1.00 0.66 C ATOM 440 C ARG A 31 4.817 5.666 -10.024 1.00 0.59 C ATOM 441 O ARG A 31 4.961 4.806 -10.889 1.00 0.71 O ATOM 442 CB ARG A 31 4.700 7.600 -11.645 1.00 0.70 C ATOM 443 CG ARG A 31 3.169 7.472 -11.769 1.00 0.82 C ATOM 444 CD ARG A 31 2.484 8.692 -12.397 1.00 0.73 C ATOM 445 NE ARG A 31 2.995 9.039 -13.736 1.00 1.70 N ATOM 446 CZ ARG A 31 3.754 10.090 -14.037 1.00 1.48 C ATOM 447 NH1 ARG A 31 4.282 10.876 -13.127 1.00 2.08 N ATOM 448 NH2 ARG A 31 3.993 10.364 -15.302 1.00 2.79 N ATOM 0 H ARG A 31 7.174 6.476 -10.717 1.00 0.80 H new ATOM 0 HA ARG A 31 4.788 7.721 -9.510 1.00 0.66 H new ATOM 0 HB2 ARG A 31 4.985 8.643 -11.782 1.00 0.70 H new ATOM 0 HB3 ARG A 31 5.174 7.032 -12.446 1.00 0.70 H new ATOM 0 HG2 ARG A 31 2.937 6.591 -12.367 1.00 0.82 H new ATOM 0 HG3 ARG A 31 2.748 7.304 -10.778 1.00 0.82 H new ATOM 0 HD2 ARG A 31 1.413 8.500 -12.466 1.00 0.73 H new ATOM 0 HD3 ARG A 31 2.613 9.549 -11.736 1.00 0.73 H new ATOM 0 HE ARG A 31 2.743 8.415 -14.503 1.00 1.70 H new ATOM 0 HH11 ARG A 31 4.117 10.693 -12.137 1.00 2.08 H new ATOM 0 HH12 ARG A 31 4.857 11.670 -13.410 1.00 2.08 H new ATOM 0 HH21 ARG A 31 3.598 9.774 -16.035 1.00 2.79 H new ATOM 0 HH22 ARG A 31 4.573 11.166 -15.549 1.00 2.79 H new ATOM 462 N LEU A 32 4.356 5.387 -8.813 1.00 0.48 N ATOM 463 CA LEU A 32 4.012 4.062 -8.302 1.00 0.42 C ATOM 464 C LEU A 32 2.577 3.732 -8.722 1.00 0.40 C ATOM 465 O LEU A 32 1.640 4.313 -8.185 1.00 0.44 O ATOM 466 CB LEU A 32 4.197 4.150 -6.777 1.00 0.42 C ATOM 467 CG LEU A 32 4.166 2.867 -5.916 1.00 0.58 C ATOM 468 CD1 LEU A 32 3.170 3.056 -4.762 1.00 1.69 C ATOM 469 CD2 LEU A 32 3.890 1.554 -6.658 1.00 1.82 C ATOM 0 H LEU A 32 4.202 6.119 -8.119 1.00 0.48 H new ATOM 0 HA LEU A 32 4.636 3.259 -8.696 1.00 0.42 H new ATOM 0 HB2 LEU A 32 5.154 4.639 -6.595 1.00 0.42 H new ATOM 0 HB3 LEU A 32 3.422 4.815 -6.395 1.00 0.42 H new ATOM 0 HG LEU A 32 5.186 2.745 -5.550 1.00 0.58 H new ATOM 0 HD11 LEU A 32 3.145 2.153 -4.152 1.00 1.69 H new ATOM 0 HD12 LEU A 32 3.481 3.901 -4.148 1.00 1.69 H new ATOM 0 HD13 LEU A 32 2.176 3.248 -5.167 1.00 1.69 H new ATOM 0 HD21 LEU A 32 3.893 0.727 -5.948 1.00 1.82 H new ATOM 0 HD22 LEU A 32 2.917 1.609 -7.146 1.00 1.82 H new ATOM 0 HD23 LEU A 32 4.663 1.391 -7.409 1.00 1.82 H new ATOM 481 N VAL A 33 2.410 2.826 -9.688 1.00 0.39 N ATOM 482 CA VAL A 33 1.115 2.552 -10.351 1.00 0.41 C ATOM 483 C VAL A 33 0.446 1.246 -9.886 1.00 0.41 C ATOM 484 O VAL A 33 -0.766 1.095 -10.016 1.00 0.45 O ATOM 485 CB VAL A 33 1.258 2.502 -11.901 1.00 0.49 C ATOM 486 CG1 VAL A 33 1.806 3.820 -12.477 1.00 0.54 C ATOM 487 CG2 VAL A 33 2.167 1.369 -12.421 1.00 0.53 C ATOM 0 H VAL A 33 3.174 2.251 -10.042 1.00 0.39 H new ATOM 0 HA VAL A 33 0.477 3.386 -10.057 1.00 0.41 H new ATOM 0 HB VAL A 33 0.239 2.318 -12.240 1.00 0.49 H new ATOM 0 HG11 VAL A 33 1.888 3.737 -13.561 1.00 0.54 H new ATOM 0 HG12 VAL A 33 1.129 4.636 -12.226 1.00 0.54 H new ATOM 0 HG13 VAL A 33 2.790 4.021 -12.053 1.00 0.54 H new ATOM 0 HG21 VAL A 33 2.210 1.408 -13.509 1.00 0.53 H new ATOM 0 HG22 VAL A 33 3.170 1.491 -12.013 1.00 0.53 H new ATOM 0 HG23 VAL A 33 1.763 0.406 -12.108 1.00 0.53 H new ATOM 497 N GLY A 34 1.243 0.280 -9.414 1.00 0.39 N ATOM 498 CA GLY A 34 0.812 -1.065 -9.016 1.00 0.44 C ATOM 499 C GLY A 34 1.845 -1.752 -8.136 1.00 0.49 C ATOM 500 O GLY A 34 2.874 -1.164 -7.797 1.00 0.47 O ATOM 0 H GLY A 34 2.246 0.420 -9.294 1.00 0.39 H new ATOM 0 HA2 GLY A 34 -0.135 -1.000 -8.481 1.00 0.44 H new ATOM 0 HA3 GLY A 34 0.634 -1.668 -9.906 1.00 0.44 H new ATOM 504 N ALA A 35 1.609 -3.019 -7.816 1.00 0.60 N ATOM 505 CA ALA A 35 2.567 -3.862 -7.105 1.00 0.62 C ATOM 506 C ALA A 35 2.522 -5.332 -7.576 1.00 0.62 C ATOM 507 O ALA A 35 1.805 -5.689 -8.511 1.00 0.69 O ATOM 508 CB ALA A 35 2.350 -3.684 -5.590 1.00 0.64 C ATOM 0 H ALA A 35 0.737 -3.497 -8.045 1.00 0.60 H new ATOM 0 HA ALA A 35 3.582 -3.543 -7.341 1.00 0.62 H new ATOM 0 HB1 ALA A 35 3.059 -4.308 -5.045 1.00 0.64 H new ATOM 0 HB2 ALA A 35 2.504 -2.639 -5.321 1.00 0.64 H new ATOM 0 HB3 ALA A 35 1.333 -3.979 -5.331 1.00 0.64 H new ATOM 514 N ARG A 36 3.298 -6.172 -6.899 1.00 0.58 N ATOM 515 CA ARG A 36 3.211 -7.633 -6.808 1.00 0.53 C ATOM 516 C ARG A 36 3.641 -8.037 -5.387 1.00 0.42 C ATOM 517 O ARG A 36 4.001 -7.175 -4.582 1.00 0.47 O ATOM 518 CB ARG A 36 4.076 -8.299 -7.901 1.00 0.70 C ATOM 519 CG ARG A 36 3.249 -8.915 -9.036 1.00 1.22 C ATOM 520 CD ARG A 36 2.440 -10.157 -8.609 1.00 2.52 C ATOM 521 NE ARG A 36 1.512 -10.590 -9.663 1.00 3.26 N ATOM 522 CZ ARG A 36 0.904 -11.772 -9.766 1.00 4.44 C ATOM 523 NH1 ARG A 36 1.102 -12.760 -8.920 1.00 5.17 N ATOM 524 NH2 ARG A 36 0.043 -11.973 -10.738 1.00 5.42 N ATOM 0 H ARG A 36 4.079 -5.818 -6.347 1.00 0.58 H new ATOM 0 HA ARG A 36 2.191 -7.976 -6.983 1.00 0.53 H new ATOM 0 HB2 ARG A 36 4.757 -7.557 -8.318 1.00 0.70 H new ATOM 0 HB3 ARG A 36 4.691 -9.075 -7.446 1.00 0.70 H new ATOM 0 HG2 ARG A 36 2.564 -8.162 -9.425 1.00 1.22 H new ATOM 0 HG3 ARG A 36 3.917 -9.190 -9.852 1.00 1.22 H new ATOM 0 HD2 ARG A 36 3.123 -10.971 -8.369 1.00 2.52 H new ATOM 0 HD3 ARG A 36 1.880 -9.932 -7.701 1.00 2.52 H new ATOM 0 HE ARG A 36 1.311 -9.911 -10.397 1.00 3.26 H new ATOM 0 HH11 ARG A 36 1.747 -12.641 -8.139 1.00 5.17 H new ATOM 0 HH12 ARG A 36 0.610 -13.645 -9.045 1.00 5.17 H new ATOM 0 HH21 ARG A 36 -0.155 -11.228 -11.406 1.00 5.42 H new ATOM 0 HH22 ARG A 36 -0.427 -12.874 -10.825 1.00 5.42 H new ATOM 538 N THR A 37 3.599 -9.334 -5.071 1.00 0.54 N ATOM 539 CA THR A 37 3.892 -9.939 -3.760 1.00 0.51 C ATOM 540 C THR A 37 3.703 -11.454 -3.854 1.00 0.61 C ATOM 541 O THR A 37 2.871 -11.888 -4.658 1.00 0.68 O ATOM 542 CB THR A 37 3.043 -9.305 -2.642 1.00 0.51 C ATOM 543 OG1 THR A 37 3.158 -10.018 -1.446 1.00 0.59 O ATOM 544 CG2 THR A 37 1.547 -9.228 -2.949 1.00 0.56 C ATOM 0 H THR A 37 3.344 -10.037 -5.764 1.00 0.54 H new ATOM 0 HA THR A 37 4.930 -9.739 -3.492 1.00 0.51 H new ATOM 0 HB THR A 37 3.443 -8.294 -2.560 1.00 0.51 H new ATOM 0 HG1 THR A 37 3.892 -9.647 -0.913 1.00 0.59 H new ATOM 0 HG21 THR A 37 1.026 -8.769 -2.109 1.00 0.56 H new ATOM 0 HG22 THR A 37 1.390 -8.628 -3.845 1.00 0.56 H new ATOM 0 HG23 THR A 37 1.157 -10.233 -3.112 1.00 0.56 H new ATOM 552 N PRO A 38 4.432 -12.263 -3.059 1.00 0.71 N ATOM 553 CA PRO A 38 4.285 -13.713 -3.053 1.00 0.87 C ATOM 554 C PRO A 38 3.008 -14.200 -2.365 1.00 0.85 C ATOM 555 O PRO A 38 2.705 -15.385 -2.456 1.00 1.05 O ATOM 556 CB PRO A 38 5.536 -14.230 -2.344 1.00 1.01 C ATOM 557 CG PRO A 38 5.917 -13.107 -1.391 1.00 0.94 C ATOM 558 CD PRO A 38 5.535 -11.867 -2.193 1.00 0.76 C ATOM 0 HA PRO A 38 4.190 -14.092 -4.071 1.00 0.87 H new ATOM 0 HB2 PRO A 38 5.335 -15.157 -1.807 1.00 1.01 H new ATOM 0 HB3 PRO A 38 6.337 -14.440 -3.053 1.00 1.01 H new ATOM 0 HG2 PRO A 38 5.371 -13.168 -0.450 1.00 0.94 H new ATOM 0 HG3 PRO A 38 6.979 -13.123 -1.145 1.00 0.94 H new ATOM 0 HD2 PRO A 38 5.237 -11.053 -1.532 1.00 0.76 H new ATOM 0 HD3 PRO A 38 6.380 -11.508 -2.780 1.00 0.76 H new ATOM 566 N VAL A 39 2.275 -13.314 -1.682 1.00 0.70 N ATOM 567 CA VAL A 39 1.050 -13.646 -0.934 1.00 0.68 C ATOM 568 C VAL A 39 -0.239 -13.028 -1.484 1.00 0.65 C ATOM 569 O VAL A 39 -1.224 -12.943 -0.761 1.00 0.69 O ATOM 570 CB VAL A 39 1.214 -13.326 0.564 1.00 0.71 C ATOM 571 CG1 VAL A 39 2.386 -14.103 1.184 1.00 0.84 C ATOM 572 CG2 VAL A 39 1.364 -11.816 0.786 1.00 0.70 C ATOM 0 H VAL A 39 2.519 -12.325 -1.631 1.00 0.70 H new ATOM 0 HA VAL A 39 0.926 -14.720 -1.070 1.00 0.68 H new ATOM 0 HB VAL A 39 0.308 -13.652 1.074 1.00 0.71 H new ATOM 0 HG11 VAL A 39 2.471 -13.851 2.241 1.00 0.84 H new ATOM 0 HG12 VAL A 39 2.209 -15.173 1.079 1.00 0.84 H new ATOM 0 HG13 VAL A 39 3.311 -13.836 0.672 1.00 0.84 H new ATOM 0 HG21 VAL A 39 1.478 -11.614 1.851 1.00 0.70 H new ATOM 0 HG22 VAL A 39 2.243 -11.455 0.252 1.00 0.70 H new ATOM 0 HG23 VAL A 39 0.477 -11.304 0.413 1.00 0.70 H new ATOM 582 N ALA A 40 -0.272 -12.672 -2.770 1.00 0.68 N ATOM 583 CA ALA A 40 -1.481 -12.324 -3.525 1.00 0.74 C ATOM 584 C ALA A 40 -1.265 -12.660 -5.013 1.00 0.93 C ATOM 585 O ALA A 40 -0.171 -13.059 -5.425 1.00 1.17 O ATOM 586 CB ALA A 40 -1.807 -10.842 -3.296 1.00 0.74 C ATOM 0 H ALA A 40 0.574 -12.616 -3.337 1.00 0.68 H new ATOM 0 HA ALA A 40 -2.337 -12.905 -3.181 1.00 0.74 H new ATOM 0 HB1 ALA A 40 -2.705 -10.576 -3.854 1.00 0.74 H new ATOM 0 HB2 ALA A 40 -1.975 -10.666 -2.233 1.00 0.74 H new ATOM 0 HB3 ALA A 40 -0.973 -10.229 -3.637 1.00 0.74 H new ATOM 592 N GLU A 41 -2.319 -12.532 -5.810 1.00 1.11 N ATOM 593 CA GLU A 41 -2.283 -12.504 -7.268 1.00 1.41 C ATOM 594 C GLU A 41 -2.400 -11.066 -7.788 1.00 1.39 C ATOM 595 O GLU A 41 -1.525 -10.555 -8.482 1.00 1.86 O ATOM 596 CB GLU A 41 -3.460 -13.363 -7.793 1.00 1.66 C ATOM 597 CG GLU A 41 -3.058 -14.681 -8.479 1.00 1.88 C ATOM 598 CD GLU A 41 -1.797 -14.529 -9.325 1.00 3.50 C ATOM 599 OE1 GLU A 41 -1.865 -13.930 -10.414 1.00 4.60 O ATOM 600 OE2 GLU A 41 -0.710 -14.878 -8.803 1.00 4.49 O ATOM 0 H GLU A 41 -3.266 -12.441 -5.441 1.00 1.11 H new ATOM 0 HA GLU A 41 -1.334 -12.905 -7.623 1.00 1.41 H new ATOM 0 HB2 GLU A 41 -4.120 -13.594 -6.957 1.00 1.66 H new ATOM 0 HB3 GLU A 41 -4.037 -12.766 -8.499 1.00 1.66 H new ATOM 0 HG2 GLU A 41 -2.895 -15.448 -7.722 1.00 1.88 H new ATOM 0 HG3 GLU A 41 -3.878 -15.025 -9.110 1.00 1.88 H new ATOM 607 N ARG A 42 -3.494 -10.411 -7.409 1.00 1.02 N ATOM 608 CA ARG A 42 -3.850 -9.046 -7.707 1.00 0.93 C ATOM 609 C ARG A 42 -3.472 -8.175 -6.514 1.00 0.90 C ATOM 610 O ARG A 42 -3.388 -8.628 -5.372 1.00 1.28 O ATOM 611 CB ARG A 42 -5.353 -9.018 -8.000 1.00 0.93 C ATOM 612 CG ARG A 42 -5.652 -9.464 -9.438 1.00 1.44 C ATOM 613 CD ARG A 42 -7.131 -9.269 -9.780 1.00 1.55 C ATOM 614 NE ARG A 42 -7.467 -7.838 -9.871 1.00 3.07 N ATOM 615 CZ ARG A 42 -7.685 -7.108 -10.953 1.00 4.13 C ATOM 616 NH1 ARG A 42 -7.703 -7.620 -12.166 1.00 4.26 N ATOM 617 NH2 ARG A 42 -7.878 -5.821 -10.787 1.00 5.88 N ATOM 0 H ARG A 42 -4.206 -10.868 -6.839 1.00 1.02 H new ATOM 0 HA ARG A 42 -3.320 -8.657 -8.576 1.00 0.93 H new ATOM 0 HB2 ARG A 42 -5.874 -9.671 -7.299 1.00 0.93 H new ATOM 0 HB3 ARG A 42 -5.737 -8.010 -7.843 1.00 0.93 H new ATOM 0 HG2 ARG A 42 -5.037 -8.894 -10.134 1.00 1.44 H new ATOM 0 HG3 ARG A 42 -5.383 -10.513 -9.560 1.00 1.44 H new ATOM 0 HD2 ARG A 42 -7.357 -9.760 -10.726 1.00 1.55 H new ATOM 0 HD3 ARG A 42 -7.750 -9.744 -9.019 1.00 1.55 H new ATOM 0 HE ARG A 42 -7.542 -7.344 -8.982 1.00 3.07 H new ATOM 0 HH11 ARG A 42 -7.545 -8.619 -12.300 1.00 4.26 H new ATOM 0 HH12 ARG A 42 -7.875 -7.018 -12.971 1.00 4.26 H new ATOM 0 HH21 ARG A 42 -7.857 -5.419 -9.850 1.00 5.88 H new ATOM 0 HH22 ARG A 42 -8.049 -5.223 -11.595 1.00 5.88 H new ATOM 631 N VAL A 43 -3.201 -6.922 -6.803 1.00 0.75 N ATOM 632 CA VAL A 43 -2.807 -5.876 -5.876 1.00 0.75 C ATOM 633 C VAL A 43 -3.049 -4.507 -6.494 1.00 1.07 C ATOM 634 O VAL A 43 -2.388 -4.091 -7.444 1.00 1.74 O ATOM 635 CB VAL A 43 -1.390 -6.107 -5.374 1.00 0.69 C ATOM 636 CG1 VAL A 43 -0.306 -6.091 -6.448 1.00 0.97 C ATOM 637 CG2 VAL A 43 -1.021 -5.170 -4.221 1.00 0.87 C ATOM 0 H VAL A 43 -3.253 -6.579 -7.762 1.00 0.75 H new ATOM 0 HA VAL A 43 -3.433 -5.910 -4.984 1.00 0.75 H new ATOM 0 HB VAL A 43 -1.416 -7.131 -5.003 1.00 0.69 H new ATOM 0 HG11 VAL A 43 0.666 -6.265 -5.986 1.00 0.97 H new ATOM 0 HG12 VAL A 43 -0.506 -6.875 -7.179 1.00 0.97 H new ATOM 0 HG13 VAL A 43 -0.303 -5.122 -6.947 1.00 0.97 H new ATOM 0 HG21 VAL A 43 -0.000 -5.375 -3.898 1.00 0.87 H new ATOM 0 HG22 VAL A 43 -1.096 -4.135 -4.555 1.00 0.87 H new ATOM 0 HG23 VAL A 43 -1.704 -5.332 -3.387 1.00 0.87 H new ATOM 647 N GLU A 44 -4.055 -3.837 -5.951 1.00 0.67 N ATOM 648 CA GLU A 44 -4.614 -2.619 -6.529 1.00 0.74 C ATOM 649 C GLU A 44 -4.666 -1.486 -5.504 1.00 0.45 C ATOM 650 O GLU A 44 -4.939 -1.702 -4.321 1.00 0.72 O ATOM 651 CB GLU A 44 -6.001 -2.896 -7.129 1.00 1.26 C ATOM 652 CG GLU A 44 -5.933 -3.673 -8.456 1.00 2.20 C ATOM 653 CD GLU A 44 -5.933 -5.198 -8.312 1.00 3.68 C ATOM 654 OE1 GLU A 44 -7.033 -5.759 -8.095 1.00 3.63 O ATOM 655 OE2 GLU A 44 -4.903 -5.850 -8.602 1.00 5.49 O ATOM 0 H GLU A 44 -4.513 -4.126 -5.086 1.00 0.67 H new ATOM 0 HA GLU A 44 -3.955 -2.293 -7.334 1.00 0.74 H new ATOM 0 HB2 GLU A 44 -6.595 -3.462 -6.412 1.00 1.26 H new ATOM 0 HB3 GLU A 44 -6.516 -1.950 -7.293 1.00 1.26 H new ATOM 0 HG2 GLU A 44 -6.782 -3.381 -9.075 1.00 2.20 H new ATOM 0 HG3 GLU A 44 -5.031 -3.373 -8.990 1.00 2.20 H new ATOM 662 N LEU A 45 -4.364 -0.268 -5.960 1.00 0.53 N ATOM 663 CA LEU A 45 -4.176 0.887 -5.091 1.00 0.50 C ATOM 664 C LEU A 45 -5.517 1.524 -4.700 1.00 0.44 C ATOM 665 O LEU A 45 -6.314 1.931 -5.551 1.00 0.50 O ATOM 666 CB LEU A 45 -3.249 1.869 -5.822 1.00 0.82 C ATOM 667 CG LEU A 45 -2.738 3.022 -4.939 1.00 0.93 C ATOM 668 CD1 LEU A 45 -1.636 2.576 -3.975 1.00 0.83 C ATOM 669 CD2 LEU A 45 -2.169 4.106 -5.852 1.00 1.53 C ATOM 0 H LEU A 45 -4.243 -0.058 -6.951 1.00 0.53 H new ATOM 0 HA LEU A 45 -3.717 0.585 -4.150 1.00 0.50 H new ATOM 0 HB2 LEU A 45 -2.394 1.320 -6.216 1.00 0.82 H new ATOM 0 HB3 LEU A 45 -3.781 2.287 -6.676 1.00 0.82 H new ATOM 0 HG LEU A 45 -3.575 3.386 -4.343 1.00 0.93 H new ATOM 0 HD11 LEU A 45 -1.311 3.426 -3.376 1.00 0.83 H new ATOM 0 HD12 LEU A 45 -2.021 1.795 -3.319 1.00 0.83 H new ATOM 0 HD13 LEU A 45 -0.791 2.188 -4.543 1.00 0.83 H new ATOM 0 HD21 LEU A 45 -1.800 4.934 -5.247 1.00 1.53 H new ATOM 0 HD22 LEU A 45 -1.349 3.693 -6.440 1.00 1.53 H new ATOM 0 HD23 LEU A 45 -2.951 4.465 -6.521 1.00 1.53 H new ATOM 681 N HIS A 46 -5.736 1.658 -3.395 1.00 0.47 N ATOM 682 CA HIS A 46 -6.846 2.376 -2.774 1.00 0.49 C ATOM 683 C HIS A 46 -6.365 3.537 -1.897 1.00 0.54 C ATOM 684 O HIS A 46 -5.258 3.549 -1.355 1.00 0.56 O ATOM 685 CB HIS A 46 -7.646 1.421 -1.870 1.00 0.49 C ATOM 686 CG HIS A 46 -8.406 0.297 -2.513 1.00 0.47 C ATOM 687 ND1 HIS A 46 -9.051 -0.702 -1.799 1.00 0.50 N ATOM 688 CD2 HIS A 46 -8.553 0.022 -3.841 1.00 0.46 C ATOM 689 CE1 HIS A 46 -9.535 -1.572 -2.687 1.00 0.50 C ATOM 690 NE2 HIS A 46 -9.256 -1.160 -3.937 1.00 0.48 N ATOM 0 H HIS A 46 -5.109 1.246 -2.704 1.00 0.47 H new ATOM 0 HA HIS A 46 -7.459 2.768 -3.586 1.00 0.49 H new ATOM 0 HB2 HIS A 46 -6.952 0.984 -1.152 1.00 0.49 H new ATOM 0 HB3 HIS A 46 -8.357 2.020 -1.302 1.00 0.49 H new ATOM 0 HD1 HIS A 46 -9.139 -0.761 -0.784 1.00 0.50 H new ATOM 0 HD2 HIS A 46 -8.187 0.619 -4.663 1.00 0.46 H new ATOM 0 HE1 HIS A 46 -10.072 -2.475 -2.439 1.00 0.50 H new ATOM 698 N GLU A 47 -7.290 4.455 -1.668 1.00 0.63 N ATOM 699 CA GLU A 47 -7.208 5.499 -0.665 1.00 0.63 C ATOM 700 C GLU A 47 -8.280 5.301 0.421 1.00 0.62 C ATOM 701 O GLU A 47 -9.229 4.530 0.228 1.00 0.69 O ATOM 702 CB GLU A 47 -7.303 6.859 -1.356 1.00 0.63 C ATOM 703 CG GLU A 47 -8.632 7.064 -2.072 1.00 0.58 C ATOM 704 CD GLU A 47 -8.892 8.541 -2.298 1.00 0.98 C ATOM 705 OE1 GLU A 47 -8.418 9.121 -3.296 1.00 2.25 O ATOM 706 OE2 GLU A 47 -9.694 9.103 -1.528 1.00 2.05 O ATOM 0 H GLU A 47 -8.158 4.492 -2.202 1.00 0.63 H new ATOM 0 HA GLU A 47 -6.249 5.451 -0.150 1.00 0.63 H new ATOM 0 HB2 GLU A 47 -7.168 7.648 -0.616 1.00 0.63 H new ATOM 0 HB3 GLU A 47 -6.489 6.954 -2.075 1.00 0.63 H new ATOM 0 HG2 GLU A 47 -8.621 6.540 -3.028 1.00 0.58 H new ATOM 0 HG3 GLU A 47 -9.440 6.633 -1.481 1.00 0.58 H new ATOM 713 N THR A 48 -8.138 5.999 1.552 1.00 0.67 N ATOM 714 CA THR A 48 -9.159 6.106 2.605 1.00 0.63 C ATOM 715 C THR A 48 -9.410 7.601 2.804 1.00 0.54 C ATOM 716 O THR A 48 -8.452 8.336 3.024 1.00 0.74 O ATOM 717 CB THR A 48 -8.625 5.482 3.894 1.00 0.73 C ATOM 718 OG1 THR A 48 -8.347 4.119 3.674 1.00 0.93 O ATOM 719 CG2 THR A 48 -9.607 5.573 5.064 1.00 0.79 C ATOM 0 H THR A 48 -7.288 6.520 1.768 1.00 0.67 H new ATOM 0 HA THR A 48 -10.079 5.587 2.336 1.00 0.63 H new ATOM 0 HB THR A 48 -7.730 6.046 4.159 1.00 0.73 H new ATOM 0 HG1 THR A 48 -8.003 3.718 4.499 1.00 0.93 H new ATOM 0 HG21 THR A 48 -9.165 5.111 5.947 1.00 0.79 H new ATOM 0 HG22 THR A 48 -9.827 6.620 5.274 1.00 0.79 H new ATOM 0 HG23 THR A 48 -10.529 5.053 4.806 1.00 0.79 H new ATOM 727 N PHE A 49 -10.665 8.051 2.731 1.00 0.45 N ATOM 728 CA PHE A 49 -11.021 9.476 2.741 1.00 0.51 C ATOM 729 C PHE A 49 -12.063 9.830 3.803 1.00 0.55 C ATOM 730 O PHE A 49 -12.675 8.959 4.417 1.00 0.57 O ATOM 731 CB PHE A 49 -11.497 9.908 1.344 1.00 0.56 C ATOM 732 CG PHE A 49 -12.805 9.297 0.863 1.00 0.55 C ATOM 733 CD1 PHE A 49 -12.855 7.989 0.336 1.00 1.75 C ATOM 734 CD2 PHE A 49 -13.985 10.059 0.927 1.00 1.97 C ATOM 735 CE1 PHE A 49 -14.086 7.443 -0.076 1.00 1.72 C ATOM 736 CE2 PHE A 49 -15.211 9.514 0.509 1.00 2.10 C ATOM 737 CZ PHE A 49 -15.268 8.199 0.025 1.00 0.86 C ATOM 0 H PHE A 49 -11.472 7.432 2.663 1.00 0.45 H new ATOM 0 HA PHE A 49 -10.119 10.027 3.007 1.00 0.51 H new ATOM 0 HB2 PHE A 49 -11.603 10.993 1.338 1.00 0.56 H new ATOM 0 HB3 PHE A 49 -10.717 9.660 0.624 1.00 0.56 H new ATOM 0 HD1 PHE A 49 -11.950 7.407 0.249 1.00 1.75 H new ATOM 0 HD2 PHE A 49 -13.949 11.072 1.301 1.00 1.97 H new ATOM 0 HE1 PHE A 49 -14.123 6.439 -0.472 1.00 1.72 H new ATOM 0 HE2 PHE A 49 -16.111 10.109 0.561 1.00 2.10 H new ATOM 0 HZ PHE A 49 -16.214 7.769 -0.269 1.00 0.86 H new ATOM 747 N MET A 50 -12.297 11.129 3.985 1.00 0.66 N ATOM 748 CA MET A 50 -13.293 11.699 4.889 1.00 0.77 C ATOM 749 C MET A 50 -14.499 12.236 4.104 1.00 0.62 C ATOM 750 O MET A 50 -14.346 12.757 3.002 1.00 0.58 O ATOM 751 CB MET A 50 -12.615 12.805 5.713 1.00 1.08 C ATOM 752 CG MET A 50 -13.598 13.385 6.723 1.00 1.95 C ATOM 753 SD MET A 50 -12.878 14.540 7.912 1.00 2.57 S ATOM 754 CE MET A 50 -13.375 16.105 7.146 1.00 3.84 C ATOM 0 H MET A 50 -11.773 11.845 3.482 1.00 0.66 H new ATOM 0 HA MET A 50 -13.675 10.931 5.561 1.00 0.77 H new ATOM 0 HB2 MET A 50 -11.745 12.401 6.231 1.00 1.08 H new ATOM 0 HB3 MET A 50 -12.255 13.593 5.051 1.00 1.08 H new ATOM 0 HG2 MET A 50 -14.395 13.894 6.181 1.00 1.95 H new ATOM 0 HG3 MET A 50 -14.060 12.564 7.271 1.00 1.95 H new ATOM 0 HE1 MET A 50 -13.013 16.937 7.750 1.00 3.84 H new ATOM 0 HE2 MET A 50 -12.949 16.171 6.145 1.00 3.84 H new ATOM 0 HE3 MET A 50 -14.462 16.150 7.082 1.00 3.84 H new ATOM 764 N ARG A 51 -15.696 12.119 4.685 1.00 0.73 N ATOM 765 CA ARG A 51 -16.971 12.581 4.114 1.00 0.68 C ATOM 766 C ARG A 51 -18.000 12.936 5.204 1.00 0.75 C ATOM 767 O ARG A 51 -17.959 12.396 6.315 1.00 0.88 O ATOM 768 CB ARG A 51 -17.529 11.540 3.117 1.00 0.78 C ATOM 769 CG ARG A 51 -17.551 10.104 3.674 1.00 2.28 C ATOM 770 CD ARG A 51 -18.234 9.090 2.754 1.00 2.88 C ATOM 771 NE ARG A 51 -18.090 7.740 3.320 1.00 4.98 N ATOM 772 CZ ARG A 51 -18.659 6.611 2.927 1.00 6.35 C ATOM 773 NH1 ARG A 51 -19.470 6.543 1.890 1.00 6.13 N ATOM 774 NH2 ARG A 51 -18.386 5.514 3.596 1.00 8.29 N ATOM 0 H ARG A 51 -15.812 11.684 5.600 1.00 0.73 H new ATOM 0 HA ARG A 51 -16.773 13.502 3.566 1.00 0.68 H new ATOM 0 HB2 ARG A 51 -18.542 11.827 2.834 1.00 0.78 H new ATOM 0 HB3 ARG A 51 -16.927 11.560 2.209 1.00 0.78 H new ATOM 0 HG2 ARG A 51 -16.526 9.781 3.857 1.00 2.28 H new ATOM 0 HG3 ARG A 51 -18.061 10.107 4.637 1.00 2.28 H new ATOM 0 HD2 ARG A 51 -19.289 9.338 2.641 1.00 2.88 H new ATOM 0 HD3 ARG A 51 -17.790 9.128 1.759 1.00 2.88 H new ATOM 0 HE ARG A 51 -17.467 7.663 4.124 1.00 4.98 H new ATOM 0 HH11 ARG A 51 -19.682 7.384 1.353 1.00 6.13 H new ATOM 0 HH12 ARG A 51 -19.885 5.650 1.625 1.00 6.13 H new ATOM 0 HH21 ARG A 51 -17.751 5.548 4.394 1.00 8.29 H new ATOM 0 HH22 ARG A 51 -18.809 4.628 3.318 1.00 8.29 H new ATOM 788 N GLU A 52 -18.929 13.835 4.888 1.00 0.81 N ATOM 789 CA GLU A 52 -20.005 14.283 5.738 1.00 1.01 C ATOM 790 C GLU A 52 -21.148 14.808 4.855 1.00 1.78 C ATOM 791 O GLU A 52 -20.901 15.450 3.839 1.00 2.40 O ATOM 792 CB GLU A 52 -19.465 15.362 6.692 1.00 1.93 C ATOM 793 CG GLU A 52 -20.616 15.933 7.509 1.00 1.79 C ATOM 794 CD GLU A 52 -20.216 16.365 8.912 1.00 2.07 C ATOM 795 OE1 GLU A 52 -19.194 17.059 9.111 1.00 2.79 O ATOM 796 OE2 GLU A 52 -20.900 15.928 9.857 1.00 2.54 O ATOM 0 H GLU A 52 -18.943 14.291 3.976 1.00 0.81 H new ATOM 0 HA GLU A 52 -20.399 13.467 6.344 1.00 1.01 H new ATOM 0 HB2 GLU A 52 -18.711 14.935 7.353 1.00 1.93 H new ATOM 0 HB3 GLU A 52 -18.978 16.155 6.124 1.00 1.93 H new ATOM 0 HG2 GLU A 52 -21.035 16.789 6.981 1.00 1.79 H new ATOM 0 HG3 GLU A 52 -21.405 15.185 7.580 1.00 1.79 H new ATOM 803 N VAL A 53 -22.381 14.533 5.278 1.00 2.00 N ATOM 804 CA VAL A 53 -23.672 15.023 4.778 1.00 2.88 C ATOM 805 C VAL A 53 -24.698 14.687 5.870 1.00 2.34 C ATOM 806 O VAL A 53 -24.489 13.711 6.583 1.00 2.13 O ATOM 807 CB VAL A 53 -24.028 14.416 3.396 1.00 3.83 C ATOM 808 CG1 VAL A 53 -24.200 12.885 3.426 1.00 3.03 C ATOM 809 CG2 VAL A 53 -25.281 15.082 2.805 1.00 5.63 C ATOM 0 H VAL A 53 -22.518 13.895 6.062 1.00 2.00 H new ATOM 0 HA VAL A 53 -23.651 16.097 4.595 1.00 2.88 H new ATOM 0 HB VAL A 53 -23.174 14.623 2.751 1.00 3.83 H new ATOM 0 HG11 VAL A 53 -24.448 12.527 2.427 1.00 3.03 H new ATOM 0 HG12 VAL A 53 -23.271 12.421 3.758 1.00 3.03 H new ATOM 0 HG13 VAL A 53 -25.003 12.622 4.115 1.00 3.03 H new ATOM 0 HG21 VAL A 53 -25.507 14.637 1.836 1.00 5.63 H new ATOM 0 HG22 VAL A 53 -26.125 14.932 3.479 1.00 5.63 H new ATOM 0 HG23 VAL A 53 -25.101 16.150 2.680 1.00 5.63 H new ATOM 819 N GLU A 54 -25.720 15.523 6.089 1.00 2.59 N ATOM 820 CA GLU A 54 -26.715 15.408 7.183 1.00 2.38 C ATOM 821 C GLU A 54 -26.129 15.497 8.616 1.00 2.03 C ATOM 822 O GLU A 54 -26.813 15.182 9.590 1.00 2.01 O ATOM 823 CB GLU A 54 -27.548 14.106 7.124 1.00 2.27 C ATOM 824 CG GLU A 54 -27.937 13.455 5.791 1.00 2.56 C ATOM 825 CD GLU A 54 -28.247 11.991 6.106 1.00 2.85 C ATOM 826 OE1 GLU A 54 -29.328 11.710 6.668 1.00 3.26 O ATOM 827 OE2 GLU A 54 -27.310 11.164 6.063 1.00 3.59 O ATOM 0 H GLU A 54 -25.891 16.332 5.491 1.00 2.59 H new ATOM 0 HA GLU A 54 -27.344 16.279 7.000 1.00 2.38 H new ATOM 0 HB2 GLU A 54 -27.000 13.355 7.694 1.00 2.27 H new ATOM 0 HB3 GLU A 54 -28.476 14.300 7.662 1.00 2.27 H new ATOM 0 HG2 GLU A 54 -28.803 13.951 5.354 1.00 2.56 H new ATOM 0 HG3 GLU A 54 -27.126 13.534 5.068 1.00 2.56 H new ATOM 834 N GLY A 55 -24.849 15.850 8.754 1.00 2.01 N ATOM 835 CA GLY A 55 -24.088 15.750 10.013 1.00 2.13 C ATOM 836 C GLY A 55 -23.409 14.390 10.255 1.00 1.71 C ATOM 837 O GLY A 55 -22.885 14.144 11.340 1.00 2.23 O ATOM 0 H GLY A 55 -24.296 16.222 7.981 1.00 2.01 H new ATOM 0 HA2 GLY A 55 -23.324 16.527 10.021 1.00 2.13 H new ATOM 0 HA3 GLY A 55 -24.762 15.956 10.845 1.00 2.13 H new ATOM 841 N LYS A 56 -23.404 13.485 9.266 1.00 1.17 N ATOM 842 CA LYS A 56 -22.772 12.157 9.358 1.00 1.33 C ATOM 843 C LYS A 56 -21.273 12.207 9.004 1.00 0.98 C ATOM 844 O LYS A 56 -20.834 11.664 7.988 1.00 1.25 O ATOM 845 CB LYS A 56 -23.515 11.107 8.496 1.00 1.97 C ATOM 846 CG LYS A 56 -25.047 11.115 8.513 1.00 2.61 C ATOM 847 CD LYS A 56 -25.753 10.843 9.849 1.00 2.03 C ATOM 848 CE LYS A 56 -27.251 11.181 9.711 1.00 2.04 C ATOM 849 NZ LYS A 56 -27.910 10.437 8.605 1.00 2.77 N ATOM 0 H LYS A 56 -23.846 13.656 8.363 1.00 1.17 H new ATOM 0 HA LYS A 56 -22.850 11.844 10.399 1.00 1.33 H new ATOM 0 HB2 LYS A 56 -23.192 11.235 7.463 1.00 1.97 H new ATOM 0 HB3 LYS A 56 -23.183 10.119 8.814 1.00 1.97 H new ATOM 0 HG2 LYS A 56 -25.380 12.088 8.151 1.00 2.61 H new ATOM 0 HG3 LYS A 56 -25.393 10.372 7.795 1.00 2.61 H new ATOM 0 HD2 LYS A 56 -25.629 9.798 10.133 1.00 2.03 H new ATOM 0 HD3 LYS A 56 -25.304 11.444 10.640 1.00 2.03 H new ATOM 0 HE2 LYS A 56 -27.758 10.953 10.649 1.00 2.04 H new ATOM 0 HE3 LYS A 56 -27.363 12.252 9.540 1.00 2.04 H new ATOM 0 HZ1 LYS A 56 -28.804 10.906 8.356 1.00 2.77 H new ATOM 0 HZ2 LYS A 56 -27.284 10.423 7.775 1.00 2.77 H new ATOM 0 HZ3 LYS A 56 -28.103 9.462 8.910 1.00 2.77 H new ATOM 863 N LYS A 57 -20.455 12.870 9.819 1.00 0.92 N ATOM 864 CA LYS A 57 -18.991 12.826 9.687 1.00 1.06 C ATOM 865 C LYS A 57 -18.458 11.387 9.835 1.00 1.23 C ATOM 866 O LYS A 57 -18.532 10.798 10.911 1.00 1.42 O ATOM 867 CB LYS A 57 -18.313 13.836 10.630 1.00 1.34 C ATOM 868 CG LYS A 57 -18.763 13.809 12.103 1.00 2.06 C ATOM 869 CD LYS A 57 -18.117 14.940 12.919 1.00 2.61 C ATOM 870 CE LYS A 57 -19.001 16.188 13.112 1.00 2.75 C ATOM 871 NZ LYS A 57 -19.383 16.857 11.845 1.00 2.74 N ATOM 0 H LYS A 57 -20.782 13.453 10.589 1.00 0.92 H new ATOM 0 HA LYS A 57 -18.726 13.139 8.677 1.00 1.06 H new ATOM 0 HB2 LYS A 57 -17.237 13.663 10.599 1.00 1.34 H new ATOM 0 HB3 LYS A 57 -18.487 14.838 10.238 1.00 1.34 H new ATOM 0 HG2 LYS A 57 -19.848 13.899 12.153 1.00 2.06 H new ATOM 0 HG3 LYS A 57 -18.502 12.847 12.545 1.00 2.06 H new ATOM 0 HD2 LYS A 57 -17.844 14.551 13.900 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -17.192 15.241 12.427 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -19.906 15.900 13.647 1.00 2.75 H new ATOM 0 HE3 LYS A 57 -18.471 16.902 13.743 1.00 2.75 H new ATOM 0 HZ1 LYS A 57 -19.719 17.820 12.048 1.00 2.74 H new ATOM 0 HZ2 LYS A 57 -18.557 16.904 11.215 1.00 2.74 H new ATOM 0 HZ3 LYS A 57 -20.141 16.317 11.382 1.00 2.74 H new ATOM 885 N VAL A 58 -17.938 10.827 8.740 1.00 1.24 N ATOM 886 CA VAL A 58 -17.553 9.414 8.612 1.00 1.44 C ATOM 887 C VAL A 58 -16.478 9.257 7.529 1.00 1.27 C ATOM 888 O VAL A 58 -16.321 10.124 6.673 1.00 1.22 O ATOM 889 CB VAL A 58 -18.802 8.532 8.336 1.00 1.62 C ATOM 890 CG1 VAL A 58 -19.337 8.668 6.897 1.00 1.95 C ATOM 891 CG2 VAL A 58 -18.546 7.049 8.649 1.00 2.98 C ATOM 0 H VAL A 58 -17.766 11.360 7.888 1.00 1.24 H new ATOM 0 HA VAL A 58 -17.122 9.070 9.552 1.00 1.44 H new ATOM 0 HB VAL A 58 -19.567 8.911 9.014 1.00 1.62 H new ATOM 0 HG11 VAL A 58 -20.209 8.026 6.771 1.00 1.95 H new ATOM 0 HG12 VAL A 58 -19.619 9.704 6.710 1.00 1.95 H new ATOM 0 HG13 VAL A 58 -18.562 8.370 6.191 1.00 1.95 H new ATOM 0 HG21 VAL A 58 -19.447 6.472 8.441 1.00 2.98 H new ATOM 0 HG22 VAL A 58 -17.729 6.682 8.028 1.00 2.98 H new ATOM 0 HG23 VAL A 58 -18.280 6.940 9.700 1.00 2.98 H new ATOM 901 N MET A 59 -15.726 8.160 7.549 1.00 1.28 N ATOM 902 CA MET A 59 -14.736 7.849 6.507 1.00 1.03 C ATOM 903 C MET A 59 -15.294 6.992 5.361 1.00 0.94 C ATOM 904 O MET A 59 -16.444 6.548 5.383 1.00 1.10 O ATOM 905 CB MET A 59 -13.468 7.242 7.129 1.00 1.11 C ATOM 906 CG MET A 59 -12.707 8.314 7.914 1.00 1.30 C ATOM 907 SD MET A 59 -10.996 7.850 8.294 1.00 2.85 S ATOM 908 CE MET A 59 -11.262 6.833 9.769 1.00 3.04 C ATOM 0 H MET A 59 -15.781 7.457 8.286 1.00 1.28 H new ATOM 0 HA MET A 59 -14.466 8.795 6.038 1.00 1.03 H new ATOM 0 HB2 MET A 59 -13.736 6.417 7.789 1.00 1.11 H new ATOM 0 HB3 MET A 59 -12.830 6.830 6.347 1.00 1.11 H new ATOM 0 HG2 MET A 59 -12.705 9.241 7.341 1.00 1.30 H new ATOM 0 HG3 MET A 59 -13.236 8.516 8.845 1.00 1.30 H new ATOM 0 HE1 MET A 59 -10.304 6.465 10.135 1.00 3.04 H new ATOM 0 HE2 MET A 59 -11.739 7.433 10.544 1.00 3.04 H new ATOM 0 HE3 MET A 59 -11.903 5.988 9.518 1.00 3.04 H new ATOM 918 N GLY A 60 -14.489 6.805 4.317 1.00 0.75 N ATOM 919 CA GLY A 60 -14.727 5.913 3.187 1.00 0.78 C ATOM 920 C GLY A 60 -13.415 5.362 2.632 1.00 0.72 C ATOM 921 O GLY A 60 -12.335 5.674 3.128 1.00 0.67 O ATOM 0 H GLY A 60 -13.602 7.302 4.234 1.00 0.75 H new ATOM 0 HA2 GLY A 60 -15.367 5.088 3.500 1.00 0.78 H new ATOM 0 HA3 GLY A 60 -15.260 6.450 2.402 1.00 0.78 H new ATOM 925 N MET A 61 -13.507 4.550 1.588 1.00 0.77 N ATOM 926 CA MET A 61 -12.374 4.001 0.843 1.00 0.70 C ATOM 927 C MET A 61 -12.777 3.921 -0.634 1.00 0.69 C ATOM 928 O MET A 61 -13.952 3.707 -0.935 1.00 0.78 O ATOM 929 CB MET A 61 -12.027 2.630 1.449 1.00 0.74 C ATOM 930 CG MET A 61 -11.033 1.783 0.641 1.00 0.64 C ATOM 931 SD MET A 61 -10.990 -0.019 0.969 1.00 0.56 S ATOM 932 CE MET A 61 -11.407 -0.135 2.727 1.00 1.26 C ATOM 0 H MET A 61 -14.407 4.241 1.220 1.00 0.77 H new ATOM 0 HA MET A 61 -11.483 4.625 0.909 1.00 0.70 H new ATOM 0 HB2 MET A 61 -11.617 2.786 2.447 1.00 0.74 H new ATOM 0 HB3 MET A 61 -12.949 2.061 1.569 1.00 0.74 H new ATOM 0 HG2 MET A 61 -11.252 1.927 -0.417 1.00 0.64 H new ATOM 0 HG3 MET A 61 -10.033 2.180 0.816 1.00 0.64 H new ATOM 0 HE1 MET A 61 -11.306 -1.169 3.057 1.00 1.26 H new ATOM 0 HE2 MET A 61 -10.732 0.498 3.304 1.00 1.26 H new ATOM 0 HE3 MET A 61 -12.434 0.196 2.880 1.00 1.26 H new ATOM 942 N ARG A 62 -11.819 4.106 -1.545 1.00 0.65 N ATOM 943 CA ARG A 62 -12.039 4.095 -3.002 1.00 0.67 C ATOM 944 C ARG A 62 -10.723 3.815 -3.753 1.00 0.58 C ATOM 945 O ARG A 62 -9.658 4.031 -3.169 1.00 0.54 O ATOM 946 CB ARG A 62 -12.737 5.403 -3.445 1.00 0.88 C ATOM 947 CG ARG A 62 -11.931 6.673 -3.150 1.00 1.59 C ATOM 948 CD ARG A 62 -12.719 7.949 -3.468 1.00 2.10 C ATOM 949 NE ARG A 62 -11.911 9.117 -3.111 1.00 3.11 N ATOM 950 CZ ARG A 62 -11.721 10.223 -3.806 1.00 3.94 C ATOM 951 NH1 ARG A 62 -12.605 10.662 -4.674 1.00 4.09 N ATOM 952 NH2 ARG A 62 -10.600 10.878 -3.631 1.00 4.83 N ATOM 0 H ARG A 62 -10.845 4.272 -1.290 1.00 0.65 H new ATOM 0 HA ARG A 62 -12.711 3.278 -3.264 1.00 0.67 H new ATOM 0 HB2 ARG A 62 -12.935 5.352 -4.516 1.00 0.88 H new ATOM 0 HB3 ARG A 62 -13.703 5.474 -2.945 1.00 0.88 H new ATOM 0 HG2 ARG A 62 -11.640 6.680 -2.099 1.00 1.59 H new ATOM 0 HG3 ARG A 62 -11.011 6.661 -3.735 1.00 1.59 H new ATOM 0 HD2 ARG A 62 -12.974 7.979 -4.527 1.00 2.10 H new ATOM 0 HD3 ARG A 62 -13.658 7.958 -2.914 1.00 2.10 H new ATOM 0 HE ARG A 62 -11.434 9.070 -2.211 1.00 3.11 H new ATOM 0 HH11 ARG A 62 -13.470 10.144 -4.827 1.00 4.09 H new ATOM 0 HH12 ARG A 62 -12.426 11.521 -5.194 1.00 4.09 H new ATOM 0 HH21 ARG A 62 -9.903 10.530 -2.972 1.00 4.83 H new ATOM 0 HH22 ARG A 62 -10.424 11.736 -4.154 1.00 4.83 H new ATOM 966 N PRO A 63 -10.752 3.281 -4.991 1.00 0.59 N ATOM 967 CA PRO A 63 -9.542 2.974 -5.748 1.00 0.57 C ATOM 968 C PRO A 63 -8.954 4.227 -6.406 1.00 0.52 C ATOM 969 O PRO A 63 -9.674 5.193 -6.645 1.00 0.55 O ATOM 970 CB PRO A 63 -9.967 1.934 -6.781 1.00 0.64 C ATOM 971 CG PRO A 63 -11.409 2.340 -7.087 1.00 0.68 C ATOM 972 CD PRO A 63 -11.925 2.824 -5.729 1.00 0.67 C ATOM 0 HA PRO A 63 -8.749 2.594 -5.104 1.00 0.57 H new ATOM 0 HB2 PRO A 63 -9.339 1.966 -7.671 1.00 0.64 H new ATOM 0 HB3 PRO A 63 -9.906 0.920 -6.385 1.00 0.64 H new ATOM 0 HG2 PRO A 63 -11.456 3.126 -7.840 1.00 0.68 H new ATOM 0 HG3 PRO A 63 -11.993 1.501 -7.465 1.00 0.68 H new ATOM 0 HD2 PRO A 63 -12.647 3.631 -5.851 1.00 0.67 H new ATOM 0 HD3 PRO A 63 -12.432 2.020 -5.196 1.00 0.67 H new ATOM 980 N VAL A 64 -7.652 4.187 -6.704 1.00 0.48 N ATOM 981 CA VAL A 64 -6.868 5.304 -7.267 1.00 0.48 C ATOM 982 C VAL A 64 -5.837 4.787 -8.289 1.00 0.48 C ATOM 983 O VAL A 64 -5.483 3.608 -8.233 1.00 0.49 O ATOM 984 CB VAL A 64 -6.159 6.138 -6.166 1.00 0.51 C ATOM 985 CG1 VAL A 64 -7.043 7.304 -5.712 1.00 0.56 C ATOM 986 CG2 VAL A 64 -5.736 5.303 -4.948 1.00 1.06 C ATOM 0 H VAL A 64 -7.090 3.349 -6.557 1.00 0.48 H new ATOM 0 HA VAL A 64 -7.573 5.962 -7.774 1.00 0.48 H new ATOM 0 HB VAL A 64 -5.247 6.522 -6.623 1.00 0.51 H new ATOM 0 HG11 VAL A 64 -6.525 7.874 -4.940 1.00 0.56 H new ATOM 0 HG12 VAL A 64 -7.254 7.953 -6.562 1.00 0.56 H new ATOM 0 HG13 VAL A 64 -7.979 6.916 -5.310 1.00 0.56 H new ATOM 0 HG21 VAL A 64 -5.247 5.947 -4.217 1.00 1.06 H new ATOM 0 HG22 VAL A 64 -6.617 4.846 -4.497 1.00 1.06 H new ATOM 0 HG23 VAL A 64 -5.044 4.523 -5.264 1.00 1.06 H new ATOM 996 N PRO A 65 -5.386 5.622 -9.252 1.00 0.51 N ATOM 997 CA PRO A 65 -4.653 5.160 -10.429 1.00 0.52 C ATOM 998 C PRO A 65 -3.148 4.995 -10.186 1.00 0.48 C ATOM 999 O PRO A 65 -2.528 4.181 -10.865 1.00 0.49 O ATOM 1000 CB PRO A 65 -4.936 6.221 -11.497 1.00 0.59 C ATOM 1001 CG PRO A 65 -5.043 7.510 -10.686 1.00 0.62 C ATOM 1002 CD PRO A 65 -5.706 7.040 -9.391 1.00 0.58 C ATOM 0 HA PRO A 65 -4.980 4.163 -10.724 1.00 0.52 H new ATOM 0 HB2 PRO A 65 -4.135 6.274 -12.234 1.00 0.59 H new ATOM 0 HB3 PRO A 65 -5.857 6.010 -12.041 1.00 0.59 H new ATOM 0 HG2 PRO A 65 -4.065 7.954 -10.502 1.00 0.62 H new ATOM 0 HG3 PRO A 65 -5.643 8.262 -11.198 1.00 0.62 H new ATOM 0 HD2 PRO A 65 -5.335 7.607 -8.537 1.00 0.58 H new ATOM 0 HD3 PRO A 65 -6.785 7.192 -9.430 1.00 0.58 H new ATOM 1010 N PHE A 66 -2.574 5.754 -9.241 1.00 0.46 N ATOM 1011 CA PHE A 66 -1.149 5.772 -8.890 1.00 0.42 C ATOM 1012 C PHE A 66 -0.853 6.739 -7.728 1.00 0.42 C ATOM 1013 O PHE A 66 -1.658 7.617 -7.415 1.00 0.46 O ATOM 1014 CB PHE A 66 -0.277 6.150 -10.106 1.00 0.41 C ATOM 1015 CG PHE A 66 -0.544 7.533 -10.666 1.00 0.43 C ATOM 1016 CD1 PHE A 66 0.086 8.658 -10.107 1.00 1.66 C ATOM 1017 CD2 PHE A 66 -1.444 7.696 -11.730 1.00 1.66 C ATOM 1018 CE1 PHE A 66 -0.211 9.946 -10.569 1.00 1.64 C ATOM 1019 CE2 PHE A 66 -1.730 8.987 -12.216 1.00 1.71 C ATOM 1020 CZ PHE A 66 -1.121 10.113 -11.630 1.00 0.49 C ATOM 0 H PHE A 66 -3.119 6.403 -8.674 1.00 0.46 H new ATOM 0 HA PHE A 66 -0.898 4.761 -8.570 1.00 0.42 H new ATOM 0 HB2 PHE A 66 0.772 6.085 -9.819 1.00 0.41 H new ATOM 0 HB3 PHE A 66 -0.438 5.415 -10.895 1.00 0.41 H new ATOM 0 HD1 PHE A 66 0.806 8.528 -9.313 1.00 1.66 H new ATOM 0 HD2 PHE A 66 -1.917 6.833 -12.176 1.00 1.66 H new ATOM 0 HE1 PHE A 66 0.256 10.807 -10.114 1.00 1.64 H new ATOM 0 HE2 PHE A 66 -2.417 9.113 -13.039 1.00 1.71 H new ATOM 0 HZ PHE A 66 -1.352 11.103 -11.994 1.00 0.49 H new ATOM 1030 N LEU A 67 0.350 6.620 -7.157 1.00 0.41 N ATOM 1031 CA LEU A 67 1.026 7.673 -6.389 1.00 0.43 C ATOM 1032 C LEU A 67 2.209 8.234 -7.183 1.00 0.46 C ATOM 1033 O LEU A 67 2.768 7.541 -8.033 1.00 0.46 O ATOM 1034 CB LEU A 67 1.562 7.126 -5.050 1.00 0.50 C ATOM 1035 CG LEU A 67 0.544 6.401 -4.159 1.00 0.57 C ATOM 1036 CD1 LEU A 67 1.189 6.084 -2.811 1.00 0.66 C ATOM 1037 CD2 LEU A 67 -0.710 7.240 -3.917 1.00 0.70 C ATOM 0 H LEU A 67 0.898 5.762 -7.218 1.00 0.41 H new ATOM 0 HA LEU A 67 0.293 8.457 -6.196 1.00 0.43 H new ATOM 0 HB2 LEU A 67 2.381 6.439 -5.264 1.00 0.50 H new ATOM 0 HB3 LEU A 67 1.982 7.957 -4.484 1.00 0.50 H new ATOM 0 HG LEU A 67 0.247 5.488 -4.675 1.00 0.57 H new ATOM 0 HD11 LEU A 67 0.469 5.569 -2.175 1.00 0.66 H new ATOM 0 HD12 LEU A 67 2.059 5.446 -2.965 1.00 0.66 H new ATOM 0 HD13 LEU A 67 1.500 7.011 -2.330 1.00 0.66 H new ATOM 0 HD21 LEU A 67 -1.401 6.686 -3.282 1.00 0.70 H new ATOM 0 HD22 LEU A 67 -0.434 8.173 -3.426 1.00 0.70 H new ATOM 0 HD23 LEU A 67 -1.190 7.460 -4.870 1.00 0.70 H new ATOM 1049 N GLU A 68 2.627 9.457 -6.868 1.00 0.57 N ATOM 1050 CA GLU A 68 3.869 10.062 -7.362 1.00 0.70 C ATOM 1051 C GLU A 68 4.906 10.095 -6.227 1.00 0.97 C ATOM 1052 O GLU A 68 4.517 10.194 -5.063 1.00 1.18 O ATOM 1053 CB GLU A 68 3.567 11.495 -7.841 1.00 0.79 C ATOM 1054 CG GLU A 68 4.716 12.158 -8.623 1.00 0.92 C ATOM 1055 CD GLU A 68 4.872 11.619 -10.053 1.00 1.06 C ATOM 1056 OE1 GLU A 68 4.185 10.638 -10.415 1.00 1.88 O ATOM 1057 OE2 GLU A 68 5.654 12.193 -10.841 1.00 1.66 O ATOM 0 H GLU A 68 2.102 10.073 -6.247 1.00 0.57 H new ATOM 0 HA GLU A 68 4.268 9.477 -8.191 1.00 0.70 H new ATOM 0 HB2 GLU A 68 2.678 11.475 -8.472 1.00 0.79 H new ATOM 0 HB3 GLU A 68 3.329 12.112 -6.975 1.00 0.79 H new ATOM 0 HG2 GLU A 68 4.544 13.233 -8.665 1.00 0.92 H new ATOM 0 HG3 GLU A 68 5.650 12.006 -8.081 1.00 0.92 H new ATOM 1064 N VAL A 69 6.208 10.092 -6.544 1.00 1.02 N ATOM 1065 CA VAL A 69 7.249 10.537 -5.598 1.00 1.14 C ATOM 1066 C VAL A 69 8.362 11.347 -6.296 1.00 1.13 C ATOM 1067 O VAL A 69 9.006 10.823 -7.209 1.00 1.16 O ATOM 1068 CB VAL A 69 7.892 9.370 -4.789 1.00 1.23 C ATOM 1069 CG1 VAL A 69 8.692 9.908 -3.586 1.00 1.20 C ATOM 1070 CG2 VAL A 69 6.906 8.323 -4.241 1.00 1.42 C ATOM 0 H VAL A 69 6.569 9.787 -7.448 1.00 1.02 H new ATOM 0 HA VAL A 69 6.724 11.182 -4.893 1.00 1.14 H new ATOM 0 HB VAL A 69 8.527 8.874 -5.523 1.00 1.23 H new ATOM 0 HG11 VAL A 69 9.130 9.074 -3.038 1.00 1.20 H new ATOM 0 HG12 VAL A 69 9.485 10.566 -3.941 1.00 1.20 H new ATOM 0 HG13 VAL A 69 8.027 10.465 -2.927 1.00 1.20 H new ATOM 0 HG21 VAL A 69 7.456 7.556 -3.695 1.00 1.42 H new ATOM 0 HG22 VAL A 69 6.196 8.808 -3.570 1.00 1.42 H new ATOM 0 HG23 VAL A 69 6.367 7.863 -5.069 1.00 1.42 H new ATOM 1080 N PRO A 70 8.631 12.602 -5.871 1.00 1.15 N ATOM 1081 CA PRO A 70 9.705 13.429 -6.421 1.00 1.18 C ATOM 1082 C PRO A 70 11.084 12.952 -5.932 1.00 1.10 C ATOM 1083 O PRO A 70 11.160 12.281 -4.900 1.00 1.03 O ATOM 1084 CB PRO A 70 9.395 14.851 -5.943 1.00 1.26 C ATOM 1085 CG PRO A 70 8.723 14.621 -4.592 1.00 1.23 C ATOM 1086 CD PRO A 70 7.928 13.337 -4.823 1.00 1.19 C ATOM 0 HA PRO A 70 9.749 13.372 -7.509 1.00 1.18 H new ATOM 0 HB2 PRO A 70 10.300 15.451 -5.847 1.00 1.26 H new ATOM 0 HB3 PRO A 70 8.738 15.375 -6.637 1.00 1.26 H new ATOM 0 HG2 PRO A 70 9.454 14.506 -3.791 1.00 1.23 H new ATOM 0 HG3 PRO A 70 8.076 15.453 -4.315 1.00 1.23 H new ATOM 0 HD2 PRO A 70 7.868 12.747 -3.908 1.00 1.19 H new ATOM 0 HD3 PRO A 70 6.905 13.562 -5.125 1.00 1.19 H new ATOM 1094 N PRO A 71 12.180 13.296 -6.638 1.00 1.16 N ATOM 1095 CA PRO A 71 13.532 12.868 -6.285 1.00 1.14 C ATOM 1096 C PRO A 71 13.967 13.373 -4.912 1.00 1.15 C ATOM 1097 O PRO A 71 13.637 14.488 -4.516 1.00 1.25 O ATOM 1098 CB PRO A 71 14.432 13.369 -7.411 1.00 1.26 C ATOM 1099 CG PRO A 71 13.662 14.536 -8.022 1.00 1.32 C ATOM 1100 CD PRO A 71 12.208 14.108 -7.845 1.00 1.28 C ATOM 0 HA PRO A 71 13.589 11.783 -6.194 1.00 1.14 H new ATOM 0 HB2 PRO A 71 15.403 13.689 -7.031 1.00 1.26 H new ATOM 0 HB3 PRO A 71 14.619 12.588 -8.147 1.00 1.26 H new ATOM 0 HG2 PRO A 71 13.873 15.474 -7.508 1.00 1.32 H new ATOM 0 HG3 PRO A 71 13.916 14.683 -9.072 1.00 1.32 H new ATOM 0 HD2 PRO A 71 11.554 14.975 -7.749 1.00 1.28 H new ATOM 0 HD3 PRO A 71 11.860 13.540 -8.707 1.00 1.28 H new ATOM 1108 N LYS A 72 14.677 12.509 -4.174 1.00 1.09 N ATOM 1109 CA LYS A 72 15.147 12.705 -2.789 1.00 1.13 C ATOM 1110 C LYS A 72 14.014 12.784 -1.750 1.00 1.18 C ATOM 1111 O LYS A 72 14.272 12.916 -0.554 1.00 1.32 O ATOM 1112 CB LYS A 72 16.101 13.912 -2.694 1.00 1.23 C ATOM 1113 CG LYS A 72 17.156 13.968 -3.812 1.00 1.42 C ATOM 1114 CD LYS A 72 18.056 12.726 -3.888 1.00 1.24 C ATOM 1115 CE LYS A 72 18.895 12.801 -5.163 1.00 1.71 C ATOM 1116 NZ LYS A 72 19.636 11.545 -5.420 1.00 2.00 N ATOM 0 H LYS A 72 14.957 11.601 -4.546 1.00 1.09 H new ATOM 0 HA LYS A 72 15.706 11.806 -2.530 1.00 1.13 H new ATOM 0 HB2 LYS A 72 15.513 14.829 -2.718 1.00 1.23 H new ATOM 0 HB3 LYS A 72 16.610 13.885 -1.730 1.00 1.23 H new ATOM 0 HG2 LYS A 72 16.649 14.095 -4.769 1.00 1.42 H new ATOM 0 HG3 LYS A 72 17.782 14.848 -3.663 1.00 1.42 H new ATOM 0 HD2 LYS A 72 18.704 12.676 -3.013 1.00 1.24 H new ATOM 0 HD3 LYS A 72 17.450 11.820 -3.888 1.00 1.24 H new ATOM 0 HE2 LYS A 72 18.245 13.018 -6.011 1.00 1.71 H new ATOM 0 HE3 LYS A 72 19.601 13.628 -5.083 1.00 1.71 H new ATOM 0 HZ1 LYS A 72 20.654 11.709 -5.287 1.00 2.00 H new ATOM 0 HZ2 LYS A 72 19.315 10.811 -4.758 1.00 2.00 H new ATOM 0 HZ3 LYS A 72 19.460 11.232 -6.396 1.00 2.00 H new ATOM 1130 N GLY A 73 12.761 12.713 -2.200 1.00 1.18 N ATOM 1131 CA GLY A 73 11.543 12.727 -1.382 1.00 1.26 C ATOM 1132 C GLY A 73 11.099 11.334 -0.919 1.00 1.14 C ATOM 1133 O GLY A 73 11.627 10.311 -1.355 1.00 1.05 O ATOM 0 H GLY A 73 12.555 12.640 -3.196 1.00 1.18 H new ATOM 0 HA2 GLY A 73 11.710 13.355 -0.507 1.00 1.26 H new ATOM 0 HA3 GLY A 73 10.736 13.185 -1.954 1.00 1.26 H new ATOM 1137 N ARG A 74 10.081 11.305 -0.046 1.00 1.29 N ATOM 1138 CA ARG A 74 9.446 10.082 0.476 1.00 1.18 C ATOM 1139 C ARG A 74 7.988 10.334 0.865 1.00 1.23 C ATOM 1140 O ARG A 74 7.674 11.413 1.381 1.00 1.64 O ATOM 1141 CB ARG A 74 10.267 9.486 1.642 1.00 1.63 C ATOM 1142 CG ARG A 74 10.247 10.298 2.956 1.00 1.61 C ATOM 1143 CD ARG A 74 9.100 9.936 3.919 1.00 1.99 C ATOM 1144 NE ARG A 74 8.262 11.105 4.280 1.00 3.52 N ATOM 1145 CZ ARG A 74 7.678 11.322 5.460 1.00 4.28 C ATOM 1146 NH1 ARG A 74 7.742 10.459 6.450 1.00 4.04 N ATOM 1147 NH2 ARG A 74 6.995 12.433 5.659 1.00 5.94 N ATOM 0 H ARG A 74 9.663 12.157 0.329 1.00 1.29 H new ATOM 0 HA ARG A 74 9.435 9.339 -0.322 1.00 1.18 H new ATOM 0 HB2 ARG A 74 9.894 8.483 1.850 1.00 1.63 H new ATOM 0 HB3 ARG A 74 11.302 9.380 1.317 1.00 1.63 H new ATOM 0 HG2 ARG A 74 11.196 10.152 3.472 1.00 1.61 H new ATOM 0 HG3 ARG A 74 10.177 11.358 2.711 1.00 1.61 H new ATOM 0 HD2 ARG A 74 8.472 9.173 3.459 1.00 1.99 H new ATOM 0 HD3 ARG A 74 9.518 9.500 4.827 1.00 1.99 H new ATOM 0 HE ARG A 74 8.118 11.810 3.557 1.00 3.52 H new ATOM 0 HH11 ARG A 74 8.253 9.584 6.332 1.00 4.04 H new ATOM 0 HH12 ARG A 74 7.281 10.664 7.336 1.00 4.04 H new ATOM 0 HH21 ARG A 74 6.915 13.123 4.912 1.00 5.94 H new ATOM 0 HH22 ARG A 74 6.547 12.602 6.560 1.00 5.94 H new ATOM 1161 N VAL A 75 7.119 9.346 0.644 1.00 1.29 N ATOM 1162 CA VAL A 75 5.658 9.380 0.881 1.00 1.84 C ATOM 1163 C VAL A 75 5.225 7.957 1.233 1.00 1.43 C ATOM 1164 O VAL A 75 5.718 7.014 0.632 1.00 1.40 O ATOM 1165 CB VAL A 75 4.859 9.863 -0.360 1.00 2.68 C ATOM 1166 CG1 VAL A 75 3.345 9.908 -0.077 1.00 3.36 C ATOM 1167 CG2 VAL A 75 5.302 11.257 -0.836 1.00 3.12 C ATOM 0 H VAL A 75 7.424 8.446 0.274 1.00 1.29 H new ATOM 0 HA VAL A 75 5.450 10.088 1.683 1.00 1.84 H new ATOM 0 HB VAL A 75 5.069 9.136 -1.144 1.00 2.68 H new ATOM 0 HG11 VAL A 75 2.818 10.250 -0.968 1.00 3.36 H new ATOM 0 HG12 VAL A 75 2.995 8.911 0.191 1.00 3.36 H new ATOM 0 HG13 VAL A 75 3.149 10.594 0.747 1.00 3.36 H new ATOM 0 HG21 VAL A 75 4.713 11.549 -1.706 1.00 3.12 H new ATOM 0 HG22 VAL A 75 5.149 11.980 -0.035 1.00 3.12 H new ATOM 0 HG23 VAL A 75 6.358 11.231 -1.105 1.00 3.12 H new ATOM 1177 N GLU A 76 4.360 7.771 2.228 1.00 1.32 N ATOM 1178 CA GLU A 76 4.170 6.478 2.884 1.00 0.91 C ATOM 1179 C GLU A 76 2.661 6.234 2.990 1.00 0.99 C ATOM 1180 O GLU A 76 1.942 7.141 3.417 1.00 1.41 O ATOM 1181 CB GLU A 76 4.914 6.507 4.242 1.00 1.17 C ATOM 1182 CG GLU A 76 6.373 6.995 4.067 1.00 2.02 C ATOM 1183 CD GLU A 76 7.273 6.828 5.290 1.00 3.17 C ATOM 1184 OE1 GLU A 76 7.451 5.675 5.730 1.00 4.36 O ATOM 1185 OE2 GLU A 76 7.827 7.853 5.742 1.00 3.95 O ATOM 0 H GLU A 76 3.770 8.514 2.603 1.00 1.32 H new ATOM 0 HA GLU A 76 4.591 5.642 2.325 1.00 0.91 H new ATOM 0 HB2 GLU A 76 4.388 7.164 4.935 1.00 1.17 H new ATOM 0 HB3 GLU A 76 4.911 5.510 4.683 1.00 1.17 H new ATOM 0 HG2 GLU A 76 6.820 6.456 3.232 1.00 2.02 H new ATOM 0 HG3 GLU A 76 6.355 8.050 3.792 1.00 2.02 H new ATOM 1192 N LEU A 77 2.180 5.073 2.514 1.00 0.72 N ATOM 1193 CA LEU A 77 0.760 4.850 2.212 1.00 0.70 C ATOM 1194 C LEU A 77 -0.118 4.995 3.471 1.00 1.06 C ATOM 1195 O LEU A 77 -1.065 5.785 3.491 1.00 2.69 O ATOM 1196 CB LEU A 77 0.594 3.481 1.503 1.00 0.64 C ATOM 1197 CG LEU A 77 0.737 3.498 -0.039 1.00 0.59 C ATOM 1198 CD1 LEU A 77 2.170 3.370 -0.580 1.00 0.59 C ATOM 1199 CD2 LEU A 77 -0.084 2.352 -0.643 1.00 0.87 C ATOM 0 H LEU A 77 2.769 4.261 2.328 1.00 0.72 H new ATOM 0 HA LEU A 77 0.408 5.622 1.527 1.00 0.70 H new ATOM 0 HB2 LEU A 77 1.333 2.791 1.910 1.00 0.64 H new ATOM 0 HB3 LEU A 77 -0.388 3.080 1.753 1.00 0.64 H new ATOM 0 HG LEU A 77 0.380 4.485 -0.332 1.00 0.59 H new ATOM 0 HD11 LEU A 77 2.151 3.394 -1.670 1.00 0.59 H new ATOM 0 HD12 LEU A 77 2.774 4.198 -0.210 1.00 0.59 H new ATOM 0 HD13 LEU A 77 2.603 2.427 -0.245 1.00 0.59 H new ATOM 0 HD21 LEU A 77 0.017 2.365 -1.728 1.00 0.87 H new ATOM 0 HD22 LEU A 77 0.280 1.400 -0.256 1.00 0.87 H new ATOM 0 HD23 LEU A 77 -1.133 2.475 -0.375 1.00 0.87 H new ATOM 1211 N LYS A 78 0.264 4.284 4.539 1.00 1.54 N ATOM 1212 CA LYS A 78 -0.110 4.533 5.943 1.00 1.65 C ATOM 1213 C LYS A 78 -1.492 3.957 6.367 1.00 1.43 C ATOM 1214 O LYS A 78 -2.385 3.753 5.538 1.00 1.48 O ATOM 1215 CB LYS A 78 0.090 6.039 6.289 1.00 1.92 C ATOM 1216 CG LYS A 78 -1.202 6.836 6.532 1.00 2.15 C ATOM 1217 CD LYS A 78 -0.993 8.352 6.443 1.00 2.29 C ATOM 1218 CE LYS A 78 -2.167 9.116 7.086 1.00 3.66 C ATOM 1219 NZ LYS A 78 -3.487 8.692 6.565 1.00 5.40 N ATOM 0 H LYS A 78 0.876 3.474 4.445 1.00 1.54 H new ATOM 0 HA LYS A 78 0.575 3.954 6.563 1.00 1.65 H new ATOM 0 HB2 LYS A 78 0.714 6.110 7.180 1.00 1.92 H new ATOM 0 HB3 LYS A 78 0.641 6.511 5.476 1.00 1.92 H new ATOM 0 HG2 LYS A 78 -1.952 6.534 5.801 1.00 2.15 H new ATOM 0 HG3 LYS A 78 -1.598 6.586 7.516 1.00 2.15 H new ATOM 0 HD2 LYS A 78 -0.063 8.623 6.942 1.00 2.29 H new ATOM 0 HD3 LYS A 78 -0.892 8.647 5.399 1.00 2.29 H new ATOM 0 HE2 LYS A 78 -2.143 8.966 8.165 1.00 3.66 H new ATOM 0 HE3 LYS A 78 -2.039 10.184 6.909 1.00 3.66 H new ATOM 0 HZ1 LYS A 78 -4.035 9.530 6.284 1.00 5.40 H new ATOM 0 HZ2 LYS A 78 -3.352 8.074 5.740 1.00 5.40 H new ATOM 0 HZ3 LYS A 78 -4.002 8.174 7.305 1.00 5.40 H new ATOM 1233 N PRO A 79 -1.719 3.747 7.682 1.00 1.44 N ATOM 1234 CA PRO A 79 -3.047 3.442 8.203 1.00 1.44 C ATOM 1235 C PRO A 79 -4.013 4.590 7.895 1.00 1.22 C ATOM 1236 O PRO A 79 -3.738 5.754 8.194 1.00 2.84 O ATOM 1237 CB PRO A 79 -2.872 3.209 9.708 1.00 1.79 C ATOM 1238 CG PRO A 79 -1.611 4.001 10.043 1.00 1.74 C ATOM 1239 CD PRO A 79 -0.765 3.839 8.780 1.00 1.72 C ATOM 0 HA PRO A 79 -3.479 2.556 7.738 1.00 1.44 H new ATOM 0 HB2 PRO A 79 -3.733 3.566 10.273 1.00 1.79 H new ATOM 0 HB3 PRO A 79 -2.755 2.150 9.940 1.00 1.79 H new ATOM 0 HG2 PRO A 79 -1.834 5.048 10.249 1.00 1.74 H new ATOM 0 HG3 PRO A 79 -1.105 3.603 10.923 1.00 1.74 H new ATOM 0 HD2 PRO A 79 -0.093 4.687 8.646 1.00 1.72 H new ATOM 0 HD3 PRO A 79 -0.143 2.945 8.836 1.00 1.72 H new ATOM 1247 N GLY A 80 -5.148 4.250 7.276 1.00 1.61 N ATOM 1248 CA GLY A 80 -6.234 5.190 7.015 1.00 1.57 C ATOM 1249 C GLY A 80 -5.830 6.363 6.126 1.00 1.13 C ATOM 1250 O GLY A 80 -6.002 7.513 6.521 1.00 1.79 O ATOM 0 H GLY A 80 -5.337 3.305 6.941 1.00 1.61 H new ATOM 0 HA2 GLY A 80 -7.059 4.656 6.544 1.00 1.57 H new ATOM 0 HA3 GLY A 80 -6.605 5.576 7.965 1.00 1.57 H new ATOM 1254 N GLY A 81 -5.278 6.108 4.933 1.00 0.81 N ATOM 1255 CA GLY A 81 -5.258 7.124 3.867 1.00 0.67 C ATOM 1256 C GLY A 81 -4.860 6.646 2.485 1.00 0.80 C ATOM 1257 O GLY A 81 -5.550 6.965 1.533 1.00 1.91 O ATOM 0 H GLY A 81 -4.844 5.220 4.681 1.00 0.81 H new ATOM 0 HA2 GLY A 81 -6.251 7.569 3.801 1.00 0.67 H new ATOM 0 HA3 GLY A 81 -4.572 7.917 4.164 1.00 0.67 H new ATOM 1261 N TYR A 82 -3.814 5.841 2.360 1.00 0.69 N ATOM 1262 CA TYR A 82 -3.555 5.043 1.163 1.00 0.64 C ATOM 1263 C TYR A 82 -3.161 3.632 1.559 1.00 0.68 C ATOM 1264 O TYR A 82 -2.601 3.400 2.623 1.00 0.86 O ATOM 1265 CB TYR A 82 -2.495 5.687 0.272 1.00 0.68 C ATOM 1266 CG TYR A 82 -2.985 6.947 -0.400 1.00 0.67 C ATOM 1267 CD1 TYR A 82 -2.879 8.184 0.259 1.00 2.08 C ATOM 1268 CD2 TYR A 82 -3.599 6.870 -1.661 1.00 1.91 C ATOM 1269 CE1 TYR A 82 -3.383 9.348 -0.344 1.00 2.13 C ATOM 1270 CE2 TYR A 82 -4.074 8.034 -2.284 1.00 1.89 C ATOM 1271 CZ TYR A 82 -3.984 9.279 -1.620 1.00 0.73 C ATOM 1272 OH TYR A 82 -4.500 10.401 -2.189 1.00 0.80 O ATOM 0 H TYR A 82 -3.113 5.720 3.091 1.00 0.69 H new ATOM 0 HA TYR A 82 -4.473 4.998 0.576 1.00 0.64 H new ATOM 0 HB2 TYR A 82 -1.615 5.919 0.871 1.00 0.68 H new ATOM 0 HB3 TYR A 82 -2.183 4.972 -0.489 1.00 0.68 H new ATOM 0 HD1 TYR A 82 -2.410 8.239 1.230 1.00 2.08 H new ATOM 0 HD2 TYR A 82 -3.706 5.914 -2.152 1.00 1.91 H new ATOM 0 HE1 TYR A 82 -3.311 10.296 0.168 1.00 2.13 H new ATOM 0 HE2 TYR A 82 -4.509 7.979 -3.271 1.00 1.89 H new ATOM 0 HH TYR A 82 -4.875 10.180 -3.067 1.00 0.80 H new ATOM 1282 N HIS A 83 -3.517 2.659 0.741 1.00 0.58 N ATOM 1283 CA HIS A 83 -3.113 1.269 0.914 1.00 0.55 C ATOM 1284 C HIS A 83 -3.286 0.515 -0.403 1.00 0.45 C ATOM 1285 O HIS A 83 -4.235 0.784 -1.141 1.00 0.53 O ATOM 1286 CB HIS A 83 -3.902 0.627 2.060 1.00 0.62 C ATOM 1287 CG HIS A 83 -5.386 0.623 1.866 1.00 0.59 C ATOM 1288 ND1 HIS A 83 -6.226 1.687 2.088 1.00 0.61 N ATOM 1289 CD2 HIS A 83 -6.130 -0.402 1.357 1.00 0.56 C ATOM 1290 CE1 HIS A 83 -7.454 1.327 1.692 1.00 0.58 C ATOM 1291 NE2 HIS A 83 -7.446 0.047 1.286 1.00 0.56 N ATOM 0 H HIS A 83 -4.106 2.811 -0.078 1.00 0.58 H new ATOM 0 HA HIS A 83 -2.058 1.221 1.185 1.00 0.55 H new ATOM 0 HB2 HIS A 83 -3.562 -0.401 2.187 1.00 0.62 H new ATOM 0 HB3 HIS A 83 -3.671 1.156 2.985 1.00 0.62 H new ATOM 0 HD2 HIS A 83 -5.767 -1.376 1.065 1.00 0.56 H new ATOM 0 HE1 HIS A 83 -8.321 1.970 1.698 1.00 0.58 H new ATOM 0 HE2 HIS A 83 -8.254 -0.496 0.982 1.00 0.56 H new ATOM 1299 N PHE A 84 -2.453 -0.489 -0.658 1.00 0.38 N ATOM 1300 CA PHE A 84 -2.816 -1.496 -1.644 1.00 0.40 C ATOM 1301 C PHE A 84 -3.794 -2.473 -0.998 1.00 0.40 C ATOM 1302 O PHE A 84 -3.576 -2.916 0.128 1.00 0.52 O ATOM 1303 CB PHE A 84 -1.584 -2.235 -2.148 1.00 0.50 C ATOM 1304 CG PHE A 84 -0.691 -1.378 -3.011 1.00 0.53 C ATOM 1305 CD1 PHE A 84 -0.938 -1.255 -4.389 1.00 2.14 C ATOM 1306 CD2 PHE A 84 0.363 -0.664 -2.421 1.00 1.77 C ATOM 1307 CE1 PHE A 84 -0.102 -0.453 -5.179 1.00 2.13 C ATOM 1308 CE2 PHE A 84 1.183 0.159 -3.205 1.00 1.82 C ATOM 1309 CZ PHE A 84 0.955 0.259 -4.583 1.00 0.66 C ATOM 0 H PHE A 84 -1.547 -0.625 -0.209 1.00 0.38 H new ATOM 0 HA PHE A 84 -3.282 -1.012 -2.503 1.00 0.40 H new ATOM 0 HB2 PHE A 84 -1.013 -2.600 -1.295 1.00 0.50 H new ATOM 0 HB3 PHE A 84 -1.900 -3.109 -2.718 1.00 0.50 H new ATOM 0 HD1 PHE A 84 -1.770 -1.777 -4.838 1.00 2.14 H new ATOM 0 HD2 PHE A 84 0.543 -0.749 -1.359 1.00 1.77 H new ATOM 0 HE1 PHE A 84 -0.269 -0.382 -6.244 1.00 2.13 H new ATOM 0 HE2 PHE A 84 1.988 0.714 -2.748 1.00 1.82 H new ATOM 0 HZ PHE A 84 1.592 0.885 -5.190 1.00 0.66 H new ATOM 1319 N MET A 85 -4.844 -2.831 -1.728 1.00 0.35 N ATOM 1320 CA MET A 85 -5.712 -3.977 -1.473 1.00 0.36 C ATOM 1321 C MET A 85 -5.109 -5.183 -2.196 1.00 0.38 C ATOM 1322 O MET A 85 -5.002 -5.161 -3.420 1.00 0.44 O ATOM 1323 CB MET A 85 -7.126 -3.682 -1.980 1.00 0.43 C ATOM 1324 CG MET A 85 -8.174 -4.350 -1.079 1.00 0.58 C ATOM 1325 SD MET A 85 -8.489 -3.446 0.470 1.00 0.71 S ATOM 1326 CE MET A 85 -9.310 -4.751 1.435 1.00 0.79 C ATOM 0 H MET A 85 -5.128 -2.305 -2.554 1.00 0.35 H new ATOM 0 HA MET A 85 -5.783 -4.184 -0.405 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.292 -2.605 -2.003 1.00 0.43 H new ATOM 0 HB3 MET A 85 -7.234 -4.044 -3.003 1.00 0.43 H new ATOM 0 HG2 MET A 85 -9.109 -4.444 -1.632 1.00 0.58 H new ATOM 0 HG3 MET A 85 -7.843 -5.360 -0.839 1.00 0.58 H new ATOM 0 HE1 MET A 85 -9.573 -4.364 2.420 1.00 0.79 H new ATOM 0 HE2 MET A 85 -10.214 -5.072 0.918 1.00 0.79 H new ATOM 0 HE3 MET A 85 -8.635 -5.600 1.547 1.00 0.79 H new ATOM 1336 N LEU A 86 -4.707 -6.201 -1.448 1.00 0.51 N ATOM 1337 CA LEU A 86 -4.136 -7.446 -1.962 1.00 0.55 C ATOM 1338 C LEU A 86 -5.286 -8.423 -2.217 1.00 0.65 C ATOM 1339 O LEU A 86 -6.119 -8.616 -1.337 1.00 0.74 O ATOM 1340 CB LEU A 86 -3.166 -8.025 -0.915 1.00 0.52 C ATOM 1341 CG LEU A 86 -1.756 -7.401 -0.859 1.00 0.58 C ATOM 1342 CD1 LEU A 86 -1.743 -5.942 -0.377 1.00 0.91 C ATOM 1343 CD2 LEU A 86 -0.895 -8.240 0.097 1.00 1.19 C ATOM 0 H LEU A 86 -4.770 -6.186 -0.430 1.00 0.51 H new ATOM 0 HA LEU A 86 -3.588 -7.271 -2.888 1.00 0.55 H new ATOM 0 HB2 LEU A 86 -3.624 -7.920 0.068 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.058 -9.093 -1.104 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.366 -7.400 -1.877 1.00 0.58 H new ATOM 0 HD11 LEU A 86 -0.718 -5.572 -0.364 1.00 0.91 H new ATOM 0 HD12 LEU A 86 -2.341 -5.330 -1.053 1.00 0.91 H new ATOM 0 HD13 LEU A 86 -2.161 -5.887 0.628 1.00 0.91 H new ATOM 0 HD21 LEU A 86 0.107 -7.816 0.151 1.00 1.19 H new ATOM 0 HD22 LEU A 86 -1.345 -8.236 1.090 1.00 1.19 H new ATOM 0 HD23 LEU A 86 -0.836 -9.264 -0.271 1.00 1.19 H new ATOM 1355 N LEU A 87 -5.357 -9.035 -3.397 1.00 0.80 N ATOM 1356 CA LEU A 87 -6.432 -9.952 -3.785 1.00 0.91 C ATOM 1357 C LEU A 87 -5.864 -11.269 -4.329 1.00 1.08 C ATOM 1358 O LEU A 87 -4.891 -11.300 -5.079 1.00 1.16 O ATOM 1359 CB LEU A 87 -7.358 -9.285 -4.826 1.00 0.93 C ATOM 1360 CG LEU A 87 -8.421 -8.317 -4.261 1.00 0.88 C ATOM 1361 CD1 LEU A 87 -7.899 -6.888 -4.048 1.00 1.97 C ATOM 1362 CD2 LEU A 87 -9.622 -8.261 -5.215 1.00 2.00 C ATOM 0 H LEU A 87 -4.656 -8.906 -4.127 1.00 0.80 H new ATOM 0 HA LEU A 87 -7.019 -10.184 -2.896 1.00 0.91 H new ATOM 0 HB2 LEU A 87 -6.739 -8.739 -5.537 1.00 0.93 H new ATOM 0 HB3 LEU A 87 -7.869 -10.069 -5.385 1.00 0.93 H new ATOM 0 HG LEU A 87 -8.704 -8.709 -3.284 1.00 0.88 H new ATOM 0 HD11 LEU A 87 -8.699 -6.264 -3.650 1.00 1.97 H new ATOM 0 HD12 LEU A 87 -7.068 -6.906 -3.343 1.00 1.97 H new ATOM 0 HD13 LEU A 87 -7.559 -6.479 -5.000 1.00 1.97 H new ATOM 0 HD21 LEU A 87 -10.372 -7.578 -4.816 1.00 2.00 H new ATOM 0 HD22 LEU A 87 -9.294 -7.909 -6.193 1.00 2.00 H new ATOM 0 HD23 LEU A 87 -10.054 -9.257 -5.314 1.00 2.00 H new ATOM 1374 N GLY A 88 -6.500 -12.382 -3.967 1.00 1.20 N ATOM 1375 CA GLY A 88 -6.121 -13.723 -4.417 1.00 1.41 C ATOM 1376 C GLY A 88 -4.904 -14.237 -3.658 1.00 1.53 C ATOM 1377 O GLY A 88 -3.920 -14.661 -4.264 1.00 2.41 O ATOM 0 H GLY A 88 -7.307 -12.379 -3.343 1.00 1.20 H new ATOM 0 HA2 GLY A 88 -6.957 -14.407 -4.274 1.00 1.41 H new ATOM 0 HA3 GLY A 88 -5.905 -13.703 -5.485 1.00 1.41 H new ATOM 1381 N LEU A 89 -4.959 -14.123 -2.327 1.00 0.90 N ATOM 1382 CA LEU A 89 -3.900 -14.511 -1.400 1.00 0.78 C ATOM 1383 C LEU A 89 -3.372 -15.931 -1.573 1.00 0.82 C ATOM 1384 O LEU A 89 -4.042 -16.843 -2.051 1.00 0.95 O ATOM 1385 CB LEU A 89 -4.273 -14.300 0.074 1.00 0.73 C ATOM 1386 CG LEU A 89 -4.947 -12.970 0.473 1.00 0.75 C ATOM 1387 CD1 LEU A 89 -5.018 -12.920 2.002 1.00 0.77 C ATOM 1388 CD2 LEU A 89 -4.231 -11.714 -0.048 1.00 0.73 C ATOM 0 H LEU A 89 -5.777 -13.742 -1.851 1.00 0.90 H new ATOM 0 HA LEU A 89 -3.096 -13.828 -1.674 1.00 0.78 H new ATOM 0 HB2 LEU A 89 -4.938 -15.112 0.369 1.00 0.73 H new ATOM 0 HB3 LEU A 89 -3.363 -14.403 0.666 1.00 0.73 H new ATOM 0 HG LEU A 89 -5.934 -12.956 0.011 1.00 0.75 H new ATOM 0 HD11 LEU A 89 -5.491 -11.989 2.314 1.00 0.77 H new ATOM 0 HD12 LEU A 89 -5.603 -13.764 2.367 1.00 0.77 H new ATOM 0 HD13 LEU A 89 -4.011 -12.971 2.415 1.00 0.77 H new ATOM 0 HD21 LEU A 89 -4.771 -10.825 0.278 1.00 0.73 H new ATOM 0 HD22 LEU A 89 -3.215 -11.685 0.345 1.00 0.73 H new ATOM 0 HD23 LEU A 89 -4.198 -11.739 -1.137 1.00 0.73 H new ATOM 1400 N LYS A 90 -2.135 -16.099 -1.109 1.00 0.78 N ATOM 1401 CA LYS A 90 -1.359 -17.335 -1.249 1.00 0.89 C ATOM 1402 C LYS A 90 -0.929 -17.946 0.097 1.00 0.95 C ATOM 1403 O LYS A 90 -0.620 -19.137 0.217 1.00 1.13 O ATOM 1404 CB LYS A 90 -0.124 -17.036 -2.093 1.00 0.92 C ATOM 1405 CG LYS A 90 -0.328 -16.157 -3.353 1.00 0.99 C ATOM 1406 CD LYS A 90 -1.136 -16.925 -4.388 1.00 1.21 C ATOM 1407 CE LYS A 90 -1.321 -16.175 -5.710 1.00 1.25 C ATOM 1408 NZ LYS A 90 -0.042 -15.745 -6.325 1.00 3.32 N ATOM 0 H LYS A 90 -1.631 -15.364 -0.613 1.00 0.78 H new ATOM 0 HA LYS A 90 -2.002 -18.073 -1.728 1.00 0.89 H new ATOM 0 HB2 LYS A 90 0.612 -16.547 -1.455 1.00 0.92 H new ATOM 0 HB3 LYS A 90 0.308 -17.985 -2.409 1.00 0.92 H new ATOM 0 HG2 LYS A 90 -0.844 -15.235 -3.085 1.00 0.99 H new ATOM 0 HG3 LYS A 90 0.638 -15.872 -3.770 1.00 0.99 H new ATOM 0 HD2 LYS A 90 -0.643 -17.876 -4.587 1.00 1.21 H new ATOM 0 HD3 LYS A 90 -2.117 -17.155 -3.972 1.00 1.21 H new ATOM 0 HE2 LYS A 90 -1.856 -16.816 -6.411 1.00 1.25 H new ATOM 0 HE3 LYS A 90 -1.946 -15.299 -5.538 1.00 1.25 H new ATOM 0 HZ1 LYS A 90 -0.155 -15.689 -7.357 1.00 3.32 H new ATOM 0 HZ2 LYS A 90 0.224 -14.810 -5.955 1.00 3.32 H new ATOM 0 HZ3 LYS A 90 0.703 -16.434 -6.095 1.00 3.32 H new ATOM 1422 N ARG A 91 -0.901 -17.083 1.110 1.00 0.88 N ATOM 1423 CA ARG A 91 -0.834 -17.364 2.536 1.00 0.92 C ATOM 1424 C ARG A 91 -1.886 -16.509 3.269 1.00 0.94 C ATOM 1425 O ARG A 91 -2.029 -15.345 2.896 1.00 1.00 O ATOM 1426 CB ARG A 91 0.553 -16.943 3.049 1.00 1.05 C ATOM 1427 CG ARG A 91 1.726 -17.760 2.493 1.00 1.42 C ATOM 1428 CD ARG A 91 1.662 -19.231 2.911 1.00 2.33 C ATOM 1429 NE ARG A 91 2.779 -19.992 2.329 1.00 3.67 N ATOM 1430 CZ ARG A 91 2.737 -20.763 1.249 1.00 5.04 C ATOM 1431 NH1 ARG A 91 1.654 -20.898 0.509 1.00 5.55 N ATOM 1432 NH2 ARG A 91 3.813 -21.430 0.889 1.00 6.39 N ATOM 0 H ARG A 91 -0.927 -16.079 0.934 1.00 0.88 H new ATOM 0 HA ARG A 91 -1.014 -18.424 2.713 1.00 0.92 H new ATOM 0 HB2 ARG A 91 0.712 -15.893 2.802 1.00 1.05 H new ATOM 0 HB3 ARG A 91 0.560 -17.019 4.136 1.00 1.05 H new ATOM 0 HG2 ARG A 91 1.728 -17.694 1.405 1.00 1.42 H new ATOM 0 HG3 ARG A 91 2.664 -17.327 2.840 1.00 1.42 H new ATOM 0 HD2 ARG A 91 1.693 -19.306 3.998 1.00 2.33 H new ATOM 0 HD3 ARG A 91 0.715 -19.664 2.589 1.00 2.33 H new ATOM 0 HE ARG A 91 3.678 -19.920 2.804 1.00 3.67 H new ATOM 0 HH11 ARG A 91 0.801 -20.398 0.758 1.00 5.55 H new ATOM 0 HH12 ARG A 91 1.670 -21.502 -0.313 1.00 5.55 H new ATOM 0 HH21 ARG A 91 4.669 -21.352 1.438 1.00 6.39 H new ATOM 0 HH22 ARG A 91 3.791 -22.025 0.061 1.00 6.39 H new ATOM 1446 N PRO A 92 -2.550 -17.027 4.320 1.00 1.02 N ATOM 1447 CA PRO A 92 -3.180 -16.192 5.332 1.00 1.17 C ATOM 1448 C PRO A 92 -2.069 -15.499 6.132 1.00 1.22 C ATOM 1449 O PRO A 92 -1.065 -16.133 6.457 1.00 1.52 O ATOM 1450 CB PRO A 92 -3.996 -17.157 6.196 1.00 1.31 C ATOM 1451 CG PRO A 92 -3.208 -18.461 6.124 1.00 1.27 C ATOM 1452 CD PRO A 92 -2.600 -18.432 4.720 1.00 1.09 C ATOM 0 HA PRO A 92 -3.826 -15.413 4.928 1.00 1.17 H new ATOM 0 HB2 PRO A 92 -4.085 -16.799 7.222 1.00 1.31 H new ATOM 0 HB3 PRO A 92 -5.009 -17.279 5.812 1.00 1.31 H new ATOM 0 HG2 PRO A 92 -2.438 -18.508 6.894 1.00 1.27 H new ATOM 0 HG3 PRO A 92 -3.853 -19.328 6.265 1.00 1.27 H new ATOM 0 HD2 PRO A 92 -1.603 -18.871 4.720 1.00 1.09 H new ATOM 0 HD3 PRO A 92 -3.204 -19.013 4.023 1.00 1.09 H new ATOM 1460 N LEU A 93 -2.236 -14.208 6.433 1.00 1.16 N ATOM 1461 CA LEU A 93 -1.235 -13.400 7.148 1.00 1.20 C ATOM 1462 C LEU A 93 -1.393 -13.536 8.669 1.00 1.19 C ATOM 1463 O LEU A 93 -2.517 -13.532 9.165 1.00 1.53 O ATOM 1464 CB LEU A 93 -1.377 -11.915 6.746 1.00 1.50 C ATOM 1465 CG LEU A 93 -0.931 -11.500 5.327 1.00 1.35 C ATOM 1466 CD1 LEU A 93 0.464 -12.031 4.972 1.00 2.15 C ATOM 1467 CD2 LEU A 93 -1.943 -11.876 4.234 1.00 1.28 C ATOM 0 H LEU A 93 -3.077 -13.686 6.186 1.00 1.16 H new ATOM 0 HA LEU A 93 -0.246 -13.766 6.871 1.00 1.20 H new ATOM 0 HB2 LEU A 93 -2.425 -11.637 6.861 1.00 1.50 H new ATOM 0 HB3 LEU A 93 -0.809 -11.320 7.461 1.00 1.50 H new ATOM 0 HG LEU A 93 -0.882 -10.412 5.357 1.00 1.35 H new ATOM 0 HD11 LEU A 93 0.730 -11.711 3.964 1.00 2.15 H new ATOM 0 HD12 LEU A 93 1.194 -11.640 5.681 1.00 2.15 H new ATOM 0 HD13 LEU A 93 0.461 -13.120 5.018 1.00 2.15 H new ATOM 0 HD21 LEU A 93 -1.566 -11.555 3.263 1.00 1.28 H new ATOM 0 HD22 LEU A 93 -2.088 -12.956 4.228 1.00 1.28 H new ATOM 0 HD23 LEU A 93 -2.895 -11.384 4.434 1.00 1.28 H new ATOM 1479 N LYS A 94 -0.290 -13.605 9.432 1.00 1.20 N ATOM 1480 CA LYS A 94 -0.315 -13.424 10.898 1.00 1.30 C ATOM 1481 C LYS A 94 0.417 -12.154 11.312 1.00 1.25 C ATOM 1482 O LYS A 94 1.201 -11.557 10.585 1.00 1.84 O ATOM 1483 CB LYS A 94 0.187 -14.618 11.769 1.00 1.71 C ATOM 1484 CG LYS A 94 0.848 -15.802 11.078 1.00 2.14 C ATOM 1485 CD LYS A 94 -0.203 -16.628 10.347 1.00 2.22 C ATOM 1486 CE LYS A 94 0.439 -17.500 9.257 1.00 3.19 C ATOM 1487 NZ LYS A 94 1.051 -16.690 8.173 1.00 4.03 N ATOM 0 H LYS A 94 0.640 -13.787 9.056 1.00 1.20 H new ATOM 0 HA LYS A 94 -1.382 -13.354 11.110 1.00 1.30 H new ATOM 0 HB2 LYS A 94 0.896 -14.221 12.495 1.00 1.71 H new ATOM 0 HB3 LYS A 94 -0.666 -14.998 12.331 1.00 1.71 H new ATOM 0 HG2 LYS A 94 1.601 -15.449 10.373 1.00 2.14 H new ATOM 0 HG3 LYS A 94 1.364 -16.421 11.812 1.00 2.14 H new ATOM 0 HD2 LYS A 94 -0.732 -17.261 11.059 1.00 2.22 H new ATOM 0 HD3 LYS A 94 -0.943 -15.966 9.898 1.00 2.22 H new ATOM 0 HE2 LYS A 94 1.201 -18.136 9.706 1.00 3.19 H new ATOM 0 HE3 LYS A 94 -0.317 -18.160 8.831 1.00 3.19 H new ATOM 0 HZ1 LYS A 94 0.563 -16.886 7.276 1.00 4.03 H new ATOM 0 HZ2 LYS A 94 0.962 -15.679 8.402 1.00 4.03 H new ATOM 0 HZ3 LYS A 94 2.057 -16.937 8.081 1.00 4.03 H new ATOM 1501 N ALA A 95 0.155 -11.792 12.557 1.00 1.02 N ATOM 1502 CA ALA A 95 0.877 -10.737 13.257 1.00 1.00 C ATOM 1503 C ALA A 95 2.265 -11.255 13.660 1.00 1.12 C ATOM 1504 O ALA A 95 2.386 -12.367 14.171 1.00 1.26 O ATOM 1505 CB ALA A 95 0.045 -10.277 14.460 1.00 1.06 C ATOM 0 H ALA A 95 -0.575 -12.228 13.120 1.00 1.02 H new ATOM 0 HA ALA A 95 1.029 -9.871 12.612 1.00 1.00 H new ATOM 0 HB1 ALA A 95 0.578 -9.487 14.990 1.00 1.06 H new ATOM 0 HB2 ALA A 95 -0.916 -9.897 14.114 1.00 1.06 H new ATOM 0 HB3 ALA A 95 -0.119 -11.119 15.133 1.00 1.06 H new ATOM 1511 N GLY A 96 3.293 -10.442 13.415 1.00 1.19 N ATOM 1512 CA GLY A 96 4.700 -10.746 13.713 1.00 1.44 C ATOM 1513 C GLY A 96 5.480 -11.401 12.566 1.00 1.61 C ATOM 1514 O GLY A 96 6.576 -11.895 12.804 1.00 1.97 O ATOM 0 H GLY A 96 3.169 -9.523 12.990 1.00 1.19 H new ATOM 0 HA2 GLY A 96 5.204 -9.821 13.993 1.00 1.44 H new ATOM 0 HA3 GLY A 96 4.738 -11.405 14.580 1.00 1.44 H new ATOM 1518 N GLU A 97 4.928 -11.410 11.346 1.00 1.46 N ATOM 1519 CA GLU A 97 5.619 -11.831 10.118 1.00 1.47 C ATOM 1520 C GLU A 97 6.242 -10.635 9.384 1.00 1.36 C ATOM 1521 O GLU A 97 6.120 -9.485 9.806 1.00 1.35 O ATOM 1522 CB GLU A 97 4.638 -12.536 9.162 1.00 1.42 C ATOM 1523 CG GLU A 97 4.033 -13.810 9.751 1.00 1.63 C ATOM 1524 CD GLU A 97 3.274 -14.611 8.696 1.00 1.53 C ATOM 1525 OE1 GLU A 97 2.207 -14.162 8.221 1.00 2.63 O ATOM 1526 OE2 GLU A 97 3.598 -15.797 8.479 1.00 2.10 O ATOM 0 H GLU A 97 3.965 -11.118 11.180 1.00 1.46 H new ATOM 0 HA GLU A 97 6.411 -12.518 10.416 1.00 1.47 H new ATOM 0 HB2 GLU A 97 3.835 -11.846 8.903 1.00 1.42 H new ATOM 0 HB3 GLU A 97 5.157 -12.783 8.236 1.00 1.42 H new ATOM 0 HG2 GLU A 97 4.825 -14.426 10.177 1.00 1.63 H new ATOM 0 HG3 GLU A 97 3.358 -13.550 10.566 1.00 1.63 H new ATOM 1533 N GLU A 98 6.832 -10.910 8.223 1.00 1.33 N ATOM 1534 CA GLU A 98 7.441 -9.993 7.287 1.00 1.26 C ATOM 1535 C GLU A 98 7.311 -10.644 5.905 1.00 1.25 C ATOM 1536 O GLU A 98 7.427 -11.861 5.761 1.00 1.51 O ATOM 1537 CB GLU A 98 8.896 -9.676 7.668 1.00 1.49 C ATOM 1538 CG GLU A 98 9.774 -10.924 7.849 1.00 1.74 C ATOM 1539 CD GLU A 98 11.230 -10.540 8.084 1.00 2.24 C ATOM 1540 OE1 GLU A 98 11.878 -10.179 7.079 1.00 3.04 O ATOM 1541 OE2 GLU A 98 11.671 -10.608 9.252 1.00 2.96 O ATOM 0 H GLU A 98 6.897 -11.872 7.891 1.00 1.33 H new ATOM 0 HA GLU A 98 6.941 -9.024 7.294 1.00 1.26 H new ATOM 0 HB2 GLU A 98 9.334 -9.043 6.896 1.00 1.49 H new ATOM 0 HB3 GLU A 98 8.903 -9.101 8.594 1.00 1.49 H new ATOM 0 HG2 GLU A 98 9.409 -11.511 8.692 1.00 1.74 H new ATOM 0 HG3 GLU A 98 9.700 -11.556 6.964 1.00 1.74 H new ATOM 1548 N VAL A 99 6.941 -9.842 4.917 1.00 0.99 N ATOM 1549 CA VAL A 99 6.525 -10.289 3.579 1.00 0.90 C ATOM 1550 C VAL A 99 6.921 -9.260 2.516 1.00 0.69 C ATOM 1551 O VAL A 99 6.896 -8.052 2.758 1.00 0.76 O ATOM 1552 CB VAL A 99 4.997 -10.562 3.509 1.00 0.97 C ATOM 1553 CG1 VAL A 99 4.628 -11.231 2.174 1.00 1.39 C ATOM 1554 CG2 VAL A 99 4.470 -11.477 4.633 1.00 1.24 C ATOM 0 H VAL A 99 6.919 -8.827 5.020 1.00 0.99 H new ATOM 0 HA VAL A 99 7.043 -11.227 3.379 1.00 0.90 H new ATOM 0 HB VAL A 99 4.535 -9.581 3.617 1.00 0.97 H new ATOM 0 HG11 VAL A 99 3.554 -11.414 2.144 1.00 1.39 H new ATOM 0 HG12 VAL A 99 4.908 -10.576 1.349 1.00 1.39 H new ATOM 0 HG13 VAL A 99 5.160 -12.178 2.082 1.00 1.39 H new ATOM 0 HG21 VAL A 99 3.396 -11.619 4.513 1.00 1.24 H new ATOM 0 HG22 VAL A 99 4.971 -12.443 4.581 1.00 1.24 H new ATOM 0 HG23 VAL A 99 4.670 -11.017 5.601 1.00 1.24 H new ATOM 1564 N GLU A 100 7.261 -9.743 1.321 1.00 0.68 N ATOM 1565 CA GLU A 100 7.702 -8.904 0.204 1.00 0.63 C ATOM 1566 C GLU A 100 6.528 -8.173 -0.472 1.00 0.53 C ATOM 1567 O GLU A 100 5.474 -8.772 -0.724 1.00 0.59 O ATOM 1568 CB GLU A 100 8.381 -9.735 -0.903 1.00 0.98 C ATOM 1569 CG GLU A 100 9.293 -10.904 -0.498 1.00 1.27 C ATOM 1570 CD GLU A 100 9.761 -11.630 -1.764 1.00 1.48 C ATOM 1571 OE1 GLU A 100 8.901 -12.017 -2.583 1.00 2.57 O ATOM 1572 OE2 GLU A 100 10.975 -11.652 -2.048 1.00 2.25 O ATOM 0 H GLU A 100 7.238 -10.738 1.098 1.00 0.68 H new ATOM 0 HA GLU A 100 8.399 -8.192 0.645 1.00 0.63 H new ATOM 0 HB2 GLU A 100 7.595 -10.136 -1.543 1.00 0.98 H new ATOM 0 HB3 GLU A 100 8.972 -9.052 -1.513 1.00 0.98 H new ATOM 0 HG2 GLU A 100 10.151 -10.535 0.064 1.00 1.27 H new ATOM 0 HG3 GLU A 100 8.756 -11.592 0.155 1.00 1.27 H new ATOM 1579 N LEU A 101 6.766 -6.923 -0.896 1.00 0.56 N ATOM 1580 CA LEU A 101 6.083 -6.312 -2.040 1.00 0.51 C ATOM 1581 C LEU A 101 7.095 -5.891 -3.118 1.00 0.47 C ATOM 1582 O LEU A 101 8.202 -5.419 -2.841 1.00 0.56 O ATOM 1583 CB LEU A 101 5.187 -5.113 -1.646 1.00 0.66 C ATOM 1584 CG LEU A 101 3.691 -5.444 -1.440 1.00 0.80 C ATOM 1585 CD1 LEU A 101 3.398 -6.024 -0.050 1.00 1.35 C ATOM 1586 CD2 LEU A 101 2.815 -4.197 -1.632 1.00 1.84 C ATOM 0 H LEU A 101 7.444 -6.305 -0.449 1.00 0.56 H new ATOM 0 HA LEU A 101 5.422 -7.078 -2.445 1.00 0.51 H new ATOM 0 HB2 LEU A 101 5.576 -4.678 -0.725 1.00 0.66 H new ATOM 0 HB3 LEU A 101 5.270 -4.349 -2.419 1.00 0.66 H new ATOM 0 HG LEU A 101 3.451 -6.196 -2.192 1.00 0.80 H new ATOM 0 HD11 LEU A 101 2.333 -6.237 0.038 1.00 1.35 H new ATOM 0 HD12 LEU A 101 3.965 -6.945 0.087 1.00 1.35 H new ATOM 0 HD13 LEU A 101 3.688 -5.302 0.714 1.00 1.35 H new ATOM 0 HD21 LEU A 101 1.768 -4.461 -1.481 1.00 1.84 H new ATOM 0 HD22 LEU A 101 3.105 -3.434 -0.910 1.00 1.84 H new ATOM 0 HD23 LEU A 101 2.949 -3.810 -2.642 1.00 1.84 H new ATOM 1598 N ASP A 102 6.651 -6.022 -4.360 1.00 0.48 N ATOM 1599 CA ASP A 102 7.349 -5.742 -5.614 1.00 0.64 C ATOM 1600 C ASP A 102 6.680 -4.529 -6.286 1.00 0.94 C ATOM 1601 O ASP A 102 5.581 -4.638 -6.818 1.00 1.41 O ATOM 1602 CB ASP A 102 7.239 -7.016 -6.474 1.00 0.94 C ATOM 1603 CG ASP A 102 8.111 -8.147 -5.921 1.00 1.31 C ATOM 1604 OD1 ASP A 102 9.292 -8.247 -6.320 1.00 1.89 O ATOM 1605 OD2 ASP A 102 7.616 -8.928 -5.076 1.00 2.41 O ATOM 0 H ASP A 102 5.704 -6.358 -4.535 1.00 0.48 H new ATOM 0 HA ASP A 102 8.401 -5.496 -5.468 1.00 0.64 H new ATOM 0 HB2 ASP A 102 6.200 -7.342 -6.511 1.00 0.94 H new ATOM 0 HB3 ASP A 102 7.539 -6.792 -7.498 1.00 0.94 H new ATOM 1610 N LEU A 103 7.291 -3.345 -6.223 1.00 0.73 N ATOM 1611 CA LEU A 103 6.660 -2.060 -6.556 1.00 0.69 C ATOM 1612 C LEU A 103 6.783 -1.766 -8.060 1.00 0.65 C ATOM 1613 O LEU A 103 7.886 -1.811 -8.603 1.00 0.74 O ATOM 1614 CB LEU A 103 7.343 -0.942 -5.739 1.00 0.72 C ATOM 1615 CG LEU A 103 7.064 -0.884 -4.220 1.00 0.79 C ATOM 1616 CD1 LEU A 103 7.307 -2.191 -3.449 1.00 1.05 C ATOM 1617 CD2 LEU A 103 7.953 0.209 -3.612 1.00 1.19 C ATOM 0 H LEU A 103 8.264 -3.247 -5.932 1.00 0.73 H new ATOM 0 HA LEU A 103 5.600 -2.106 -6.308 1.00 0.69 H new ATOM 0 HB2 LEU A 103 8.420 -1.036 -5.878 1.00 0.72 H new ATOM 0 HB3 LEU A 103 7.049 0.015 -6.170 1.00 0.72 H new ATOM 0 HG LEU A 103 5.998 -0.680 -4.121 1.00 0.79 H new ATOM 0 HD11 LEU A 103 7.081 -2.038 -2.394 1.00 1.05 H new ATOM 0 HD12 LEU A 103 6.663 -2.974 -3.849 1.00 1.05 H new ATOM 0 HD13 LEU A 103 8.350 -2.489 -3.557 1.00 1.05 H new ATOM 0 HD21 LEU A 103 7.773 0.269 -2.539 1.00 1.19 H new ATOM 0 HD22 LEU A 103 9.001 -0.032 -3.792 1.00 1.19 H new ATOM 0 HD23 LEU A 103 7.717 1.168 -4.073 1.00 1.19 H new ATOM 1629 N LEU A 104 5.671 -1.411 -8.721 1.00 0.53 N ATOM 1630 CA LEU A 104 5.619 -1.103 -10.155 1.00 0.51 C ATOM 1631 C LEU A 104 5.602 0.415 -10.404 1.00 0.47 C ATOM 1632 O LEU A 104 4.656 1.130 -10.048 1.00 0.40 O ATOM 1633 CB LEU A 104 4.393 -1.788 -10.796 1.00 0.51 C ATOM 1634 CG LEU A 104 4.332 -3.325 -10.637 1.00 0.64 C ATOM 1635 CD1 LEU A 104 3.021 -3.848 -11.240 1.00 0.75 C ATOM 1636 CD2 LEU A 104 5.518 -4.023 -11.318 1.00 0.94 C ATOM 0 H LEU A 104 4.764 -1.329 -8.262 1.00 0.53 H new ATOM 0 HA LEU A 104 6.522 -1.494 -10.624 1.00 0.51 H new ATOM 0 HB2 LEU A 104 3.490 -1.359 -10.361 1.00 0.51 H new ATOM 0 HB3 LEU A 104 4.380 -1.549 -11.859 1.00 0.51 H new ATOM 0 HG LEU A 104 4.380 -3.550 -9.572 1.00 0.64 H new ATOM 0 HD11 LEU A 104 2.976 -4.931 -11.129 1.00 0.75 H new ATOM 0 HD12 LEU A 104 2.176 -3.395 -10.722 1.00 0.75 H new ATOM 0 HD13 LEU A 104 2.979 -3.590 -12.298 1.00 0.75 H new ATOM 0 HD21 LEU A 104 5.434 -5.101 -11.181 1.00 0.94 H new ATOM 0 HD22 LEU A 104 5.514 -3.792 -12.383 1.00 0.94 H new ATOM 0 HD23 LEU A 104 6.450 -3.673 -10.874 1.00 0.94 H new ATOM 1648 N PHE A 105 6.655 0.912 -11.055 1.00 0.61 N ATOM 1649 CA PHE A 105 6.911 2.331 -11.289 1.00 0.58 C ATOM 1650 C PHE A 105 6.767 2.700 -12.772 1.00 0.57 C ATOM 1651 O PHE A 105 7.657 2.425 -13.582 1.00 0.85 O ATOM 1652 CB PHE A 105 8.318 2.655 -10.790 1.00 0.70 C ATOM 1653 CG PHE A 105 8.447 2.620 -9.287 1.00 0.70 C ATOM 1654 CD1 PHE A 105 7.928 3.682 -8.527 1.00 1.72 C ATOM 1655 CD2 PHE A 105 9.108 1.553 -8.653 1.00 2.04 C ATOM 1656 CE1 PHE A 105 8.144 3.725 -7.141 1.00 1.72 C ATOM 1657 CE2 PHE A 105 9.305 1.590 -7.263 1.00 2.05 C ATOM 1658 CZ PHE A 105 8.853 2.686 -6.515 1.00 0.76 C ATOM 0 H PHE A 105 7.380 0.312 -11.448 1.00 0.61 H new ATOM 0 HA PHE A 105 6.172 2.919 -10.746 1.00 0.58 H new ATOM 0 HB2 PHE A 105 9.021 1.944 -11.224 1.00 0.70 H new ATOM 0 HB3 PHE A 105 8.603 3.644 -11.148 1.00 0.70 H new ATOM 0 HD1 PHE A 105 7.363 4.465 -9.010 1.00 1.72 H new ATOM 0 HD2 PHE A 105 9.461 0.712 -9.231 1.00 2.04 H new ATOM 0 HE1 PHE A 105 7.767 4.553 -6.558 1.00 1.72 H new ATOM 0 HE2 PHE A 105 9.806 0.771 -6.769 1.00 2.05 H new ATOM 0 HZ PHE A 105 9.050 2.732 -5.454 1.00 0.76 H new ATOM 1668 N ALA A 106 5.653 3.350 -13.124 1.00 0.86 N ATOM 1669 CA ALA A 106 5.309 3.825 -14.473 1.00 1.02 C ATOM 1670 C ALA A 106 5.334 2.710 -15.541 1.00 2.29 C ATOM 1671 O ALA A 106 5.599 2.974 -16.712 1.00 3.22 O ATOM 1672 CB ALA A 106 6.207 5.023 -14.834 1.00 1.10 C ATOM 0 H ALA A 106 4.928 3.572 -12.442 1.00 0.86 H new ATOM 0 HA ALA A 106 4.271 4.158 -14.462 1.00 1.02 H new ATOM 0 HB1 ALA A 106 5.955 5.378 -15.833 1.00 1.10 H new ATOM 0 HB2 ALA A 106 6.050 5.826 -14.113 1.00 1.10 H new ATOM 0 HB3 ALA A 106 7.252 4.714 -14.811 1.00 1.10 H new ATOM 1678 N GLY A 107 5.132 1.451 -15.130 1.00 3.05 N ATOM 1679 CA GLY A 107 5.261 0.256 -15.970 1.00 4.30 C ATOM 1680 C GLY A 107 6.716 -0.169 -16.172 1.00 3.60 C ATOM 1681 O GLY A 107 7.078 -1.283 -15.815 1.00 4.81 O ATOM 0 H GLY A 107 4.865 1.231 -14.171 1.00 3.05 H new ATOM 0 HA2 GLY A 107 4.707 -0.565 -15.515 1.00 4.30 H new ATOM 0 HA3 GLY A 107 4.805 0.448 -16.941 1.00 4.30 H new ATOM 1685 N GLY A 108 7.552 0.717 -16.720 1.00 1.95 N ATOM 1686 CA GLY A 108 8.899 0.387 -17.217 1.00 1.81 C ATOM 1687 C GLY A 108 9.986 0.142 -16.163 1.00 1.64 C ATOM 1688 O GLY A 108 11.127 -0.115 -16.533 1.00 2.10 O ATOM 0 H GLY A 108 7.312 1.702 -16.835 1.00 1.95 H new ATOM 0 HA2 GLY A 108 8.822 -0.505 -17.839 1.00 1.81 H new ATOM 0 HA3 GLY A 108 9.230 1.199 -17.864 1.00 1.81 H new ATOM 1692 N LYS A 109 9.678 0.233 -14.865 1.00 1.25 N ATOM 1693 CA LYS A 109 10.596 -0.069 -13.756 1.00 1.23 C ATOM 1694 C LYS A 109 9.900 -0.875 -12.647 1.00 1.10 C ATOM 1695 O LYS A 109 8.759 -0.584 -12.299 1.00 1.14 O ATOM 1696 CB LYS A 109 11.149 1.253 -13.181 1.00 1.18 C ATOM 1697 CG LYS A 109 12.332 1.796 -13.993 1.00 1.47 C ATOM 1698 CD LYS A 109 12.724 3.230 -13.600 1.00 1.54 C ATOM 1699 CE LYS A 109 11.680 4.243 -14.097 1.00 2.42 C ATOM 1700 NZ LYS A 109 12.082 5.647 -13.820 1.00 2.83 N ATOM 0 H LYS A 109 8.755 0.528 -14.545 1.00 1.25 H new ATOM 0 HA LYS A 109 11.412 -0.679 -14.142 1.00 1.23 H new ATOM 0 HB2 LYS A 109 10.354 1.998 -13.161 1.00 1.18 H new ATOM 0 HB3 LYS A 109 11.463 1.094 -12.149 1.00 1.18 H new ATOM 0 HG2 LYS A 109 13.191 1.140 -13.855 1.00 1.47 H new ATOM 0 HG3 LYS A 109 12.079 1.772 -15.053 1.00 1.47 H new ATOM 0 HD2 LYS A 109 12.818 3.301 -12.516 1.00 1.54 H new ATOM 0 HD3 LYS A 109 13.700 3.472 -14.021 1.00 1.54 H new ATOM 0 HE2 LYS A 109 11.533 4.114 -15.169 1.00 2.42 H new ATOM 0 HE3 LYS A 109 10.722 4.040 -13.617 1.00 2.42 H new ATOM 0 HZ1 LYS A 109 11.348 6.294 -14.172 1.00 2.83 H new ATOM 0 HZ2 LYS A 109 12.197 5.779 -12.795 1.00 2.83 H new ATOM 0 HZ3 LYS A 109 12.982 5.851 -14.299 1.00 2.83 H new ATOM 1714 N VAL A 110 10.630 -1.811 -12.038 1.00 1.04 N ATOM 1715 CA VAL A 110 10.216 -2.615 -10.877 1.00 0.94 C ATOM 1716 C VAL A 110 11.308 -2.610 -9.795 1.00 0.98 C ATOM 1717 O VAL A 110 12.488 -2.514 -10.134 1.00 1.10 O ATOM 1718 CB VAL A 110 9.842 -4.053 -11.309 1.00 0.97 C ATOM 1719 CG1 VAL A 110 11.033 -4.840 -11.894 1.00 2.16 C ATOM 1720 CG2 VAL A 110 9.198 -4.869 -10.171 1.00 1.77 C ATOM 0 H VAL A 110 11.572 -2.043 -12.353 1.00 1.04 H new ATOM 0 HA VAL A 110 9.324 -2.163 -10.444 1.00 0.94 H new ATOM 0 HB VAL A 110 9.104 -3.916 -12.100 1.00 0.97 H new ATOM 0 HG11 VAL A 110 10.704 -5.840 -12.177 1.00 2.16 H new ATOM 0 HG12 VAL A 110 11.415 -4.321 -12.773 1.00 2.16 H new ATOM 0 HG13 VAL A 110 11.822 -4.916 -11.146 1.00 2.16 H new ATOM 0 HG21 VAL A 110 8.957 -5.869 -10.532 1.00 1.77 H new ATOM 0 HG22 VAL A 110 9.895 -4.943 -9.336 1.00 1.77 H new ATOM 0 HG23 VAL A 110 8.286 -4.373 -9.839 1.00 1.77 H new ATOM 1730 N LEU A 111 10.916 -2.704 -8.518 1.00 0.95 N ATOM 1731 CA LEU A 111 11.818 -2.750 -7.358 1.00 1.01 C ATOM 1732 C LEU A 111 11.135 -3.441 -6.170 1.00 0.85 C ATOM 1733 O LEU A 111 10.014 -3.101 -5.811 1.00 0.92 O ATOM 1734 CB LEU A 111 12.262 -1.308 -7.035 1.00 1.22 C ATOM 1735 CG LEU A 111 13.174 -1.136 -5.798 1.00 1.19 C ATOM 1736 CD1 LEU A 111 14.131 0.046 -6.015 1.00 1.81 C ATOM 1737 CD2 LEU A 111 12.373 -0.869 -4.509 1.00 1.83 C ATOM 0 H LEU A 111 9.932 -2.752 -8.254 1.00 0.95 H new ATOM 0 HA LEU A 111 12.705 -3.343 -7.582 1.00 1.01 H new ATOM 0 HB2 LEU A 111 12.784 -0.907 -7.904 1.00 1.22 H new ATOM 0 HB3 LEU A 111 11.370 -0.699 -6.890 1.00 1.22 H new ATOM 0 HG LEU A 111 13.721 -2.071 -5.680 1.00 1.19 H new ATOM 0 HD11 LEU A 111 14.771 0.162 -5.140 1.00 1.81 H new ATOM 0 HD12 LEU A 111 14.748 -0.142 -6.893 1.00 1.81 H new ATOM 0 HD13 LEU A 111 13.554 0.958 -6.166 1.00 1.81 H new ATOM 0 HD21 LEU A 111 13.060 -0.756 -3.670 1.00 1.83 H new ATOM 0 HD22 LEU A 111 11.790 0.044 -4.626 1.00 1.83 H new ATOM 0 HD23 LEU A 111 11.702 -1.706 -4.318 1.00 1.83 H new ATOM 1749 N LYS A 112 11.809 -4.394 -5.525 1.00 0.90 N ATOM 1750 CA LYS A 112 11.262 -5.116 -4.367 1.00 0.85 C ATOM 1751 C LYS A 112 11.647 -4.452 -3.028 1.00 0.93 C ATOM 1752 O LYS A 112 12.771 -3.981 -2.869 1.00 1.18 O ATOM 1753 CB LYS A 112 11.735 -6.578 -4.448 1.00 1.03 C ATOM 1754 CG LYS A 112 11.043 -7.482 -3.415 1.00 1.26 C ATOM 1755 CD LYS A 112 11.667 -8.881 -3.371 1.00 1.57 C ATOM 1756 CE LYS A 112 11.346 -9.783 -4.575 1.00 1.71 C ATOM 1757 NZ LYS A 112 9.978 -10.356 -4.527 1.00 2.48 N ATOM 0 H LYS A 112 12.749 -4.690 -5.788 1.00 0.90 H new ATOM 0 HA LYS A 112 10.173 -5.082 -4.399 1.00 0.85 H new ATOM 0 HB2 LYS A 112 11.542 -6.963 -5.449 1.00 1.03 H new ATOM 0 HB3 LYS A 112 12.813 -6.616 -4.294 1.00 1.03 H new ATOM 0 HG2 LYS A 112 11.110 -7.023 -2.428 1.00 1.26 H new ATOM 0 HG3 LYS A 112 9.983 -7.565 -3.657 1.00 1.26 H new ATOM 0 HD2 LYS A 112 12.749 -8.776 -3.295 1.00 1.57 H new ATOM 0 HD3 LYS A 112 11.331 -9.382 -2.463 1.00 1.57 H new ATOM 0 HE2 LYS A 112 11.460 -9.207 -5.493 1.00 1.71 H new ATOM 0 HE3 LYS A 112 12.072 -10.595 -4.616 1.00 1.71 H new ATOM 0 HZ1 LYS A 112 9.655 -10.566 -5.493 1.00 2.48 H new ATOM 0 HZ2 LYS A 112 9.988 -11.232 -3.967 1.00 2.48 H new ATOM 0 HZ3 LYS A 112 9.330 -9.672 -4.087 1.00 2.48 H new ATOM 1771 N VAL A 113 10.742 -4.491 -2.045 1.00 0.84 N ATOM 1772 CA VAL A 113 10.993 -4.151 -0.627 1.00 0.96 C ATOM 1773 C VAL A 113 10.382 -5.257 0.253 1.00 0.86 C ATOM 1774 O VAL A 113 9.522 -5.999 -0.212 1.00 0.82 O ATOM 1775 CB VAL A 113 10.403 -2.767 -0.234 1.00 1.11 C ATOM 1776 CG1 VAL A 113 11.037 -2.216 1.059 1.00 1.58 C ATOM 1777 CG2 VAL A 113 10.574 -1.689 -1.323 1.00 1.96 C ATOM 0 H VAL A 113 9.776 -4.770 -2.214 1.00 0.84 H new ATOM 0 HA VAL A 113 12.070 -4.085 -0.474 1.00 0.96 H new ATOM 0 HB VAL A 113 9.340 -2.963 -0.092 1.00 1.11 H new ATOM 0 HG11 VAL A 113 10.596 -1.248 1.297 1.00 1.58 H new ATOM 0 HG12 VAL A 113 10.853 -2.910 1.879 1.00 1.58 H new ATOM 0 HG13 VAL A 113 12.111 -2.100 0.917 1.00 1.58 H new ATOM 0 HG21 VAL A 113 10.139 -0.751 -0.978 1.00 1.96 H new ATOM 0 HG22 VAL A 113 11.635 -1.543 -1.527 1.00 1.96 H new ATOM 0 HG23 VAL A 113 10.070 -2.010 -2.235 1.00 1.96 H new ATOM 1787 N VAL A 114 10.794 -5.358 1.521 1.00 0.93 N ATOM 1788 CA VAL A 114 10.240 -6.318 2.501 1.00 0.86 C ATOM 1789 C VAL A 114 9.665 -5.539 3.687 1.00 0.87 C ATOM 1790 O VAL A 114 10.304 -4.619 4.199 1.00 1.02 O ATOM 1791 CB VAL A 114 11.279 -7.366 2.964 1.00 1.01 C ATOM 1792 CG1 VAL A 114 10.640 -8.386 3.924 1.00 1.64 C ATOM 1793 CG2 VAL A 114 11.865 -8.122 1.756 1.00 2.04 C ATOM 0 H VAL A 114 11.532 -4.770 1.908 1.00 0.93 H new ATOM 0 HA VAL A 114 9.447 -6.886 2.014 1.00 0.86 H new ATOM 0 HB VAL A 114 12.075 -6.830 3.482 1.00 1.01 H new ATOM 0 HG11 VAL A 114 11.391 -9.112 4.235 1.00 1.64 H new ATOM 0 HG12 VAL A 114 10.252 -7.867 4.800 1.00 1.64 H new ATOM 0 HG13 VAL A 114 9.825 -8.902 3.417 1.00 1.64 H new ATOM 0 HG21 VAL A 114 12.594 -8.854 2.104 1.00 2.04 H new ATOM 0 HG22 VAL A 114 11.063 -8.633 1.223 1.00 2.04 H new ATOM 0 HG23 VAL A 114 12.353 -7.414 1.086 1.00 2.04 H new ATOM 1803 N LEU A 115 8.428 -5.875 4.061 1.00 0.91 N ATOM 1804 CA LEU A 115 7.559 -5.102 4.953 1.00 1.09 C ATOM 1805 C LEU A 115 7.040 -6.016 6.088 1.00 1.05 C ATOM 1806 O LEU A 115 6.627 -7.141 5.790 1.00 0.97 O ATOM 1807 CB LEU A 115 6.351 -4.570 4.153 1.00 1.20 C ATOM 1808 CG LEU A 115 6.593 -3.622 2.954 1.00 1.68 C ATOM 1809 CD1 LEU A 115 7.631 -2.516 3.203 1.00 3.16 C ATOM 1810 CD2 LEU A 115 6.933 -4.369 1.659 1.00 2.28 C ATOM 0 H LEU A 115 7.984 -6.733 3.735 1.00 0.91 H new ATOM 0 HA LEU A 115 8.123 -4.271 5.375 1.00 1.09 H new ATOM 0 HB2 LEU A 115 5.799 -5.433 3.781 1.00 1.20 H new ATOM 0 HB3 LEU A 115 5.697 -4.051 4.854 1.00 1.20 H new ATOM 0 HG LEU A 115 5.629 -3.127 2.834 1.00 1.68 H new ATOM 0 HD11 LEU A 115 7.732 -1.903 2.307 1.00 3.16 H new ATOM 0 HD12 LEU A 115 7.305 -1.892 4.035 1.00 3.16 H new ATOM 0 HD13 LEU A 115 8.593 -2.968 3.444 1.00 3.16 H new ATOM 0 HD21 LEU A 115 7.092 -3.650 0.855 1.00 2.28 H new ATOM 0 HD22 LEU A 115 7.840 -4.956 1.805 1.00 2.28 H new ATOM 0 HD23 LEU A 115 6.110 -5.033 1.395 1.00 2.28 H new ATOM 1822 N PRO A 116 7.016 -5.561 7.358 1.00 1.18 N ATOM 1823 CA PRO A 116 6.517 -6.349 8.487 1.00 1.22 C ATOM 1824 C PRO A 116 4.982 -6.442 8.488 1.00 1.10 C ATOM 1825 O PRO A 116 4.309 -5.604 7.888 1.00 1.05 O ATOM 1826 CB PRO A 116 7.046 -5.635 9.736 1.00 1.45 C ATOM 1827 CG PRO A 116 7.118 -4.175 9.296 1.00 1.45 C ATOM 1828 CD PRO A 116 7.504 -4.270 7.823 1.00 1.38 C ATOM 0 HA PRO A 116 6.859 -7.383 8.438 1.00 1.22 H new ATOM 0 HB2 PRO A 116 6.379 -5.767 10.588 1.00 1.45 H new ATOM 0 HB3 PRO A 116 8.023 -6.015 10.034 1.00 1.45 H new ATOM 0 HG2 PRO A 116 6.163 -3.667 9.429 1.00 1.45 H new ATOM 0 HG3 PRO A 116 7.858 -3.618 9.871 1.00 1.45 H new ATOM 0 HD2 PRO A 116 7.059 -3.456 7.251 1.00 1.38 H new ATOM 0 HD3 PRO A 116 8.584 -4.194 7.698 1.00 1.38 H new ATOM 1836 N VAL A 117 4.419 -7.429 9.189 1.00 1.15 N ATOM 1837 CA VAL A 117 2.972 -7.581 9.387 1.00 1.11 C ATOM 1838 C VAL A 117 2.593 -7.276 10.849 1.00 1.16 C ATOM 1839 O VAL A 117 3.061 -7.945 11.772 1.00 1.13 O ATOM 1840 CB VAL A 117 2.499 -8.995 8.979 1.00 1.13 C ATOM 1841 CG1 VAL A 117 0.964 -9.021 8.908 1.00 1.16 C ATOM 1842 CG2 VAL A 117 3.059 -9.457 7.619 1.00 1.15 C ATOM 0 H VAL A 117 4.965 -8.160 9.645 1.00 1.15 H new ATOM 0 HA VAL A 117 2.464 -6.863 8.743 1.00 1.11 H new ATOM 0 HB VAL A 117 2.876 -9.679 9.739 1.00 1.13 H new ATOM 0 HG11 VAL A 117 0.630 -10.018 8.620 1.00 1.16 H new ATOM 0 HG12 VAL A 117 0.550 -8.767 9.884 1.00 1.16 H new ATOM 0 HG13 VAL A 117 0.622 -8.296 8.169 1.00 1.16 H new ATOM 0 HG21 VAL A 117 2.688 -10.457 7.393 1.00 1.15 H new ATOM 0 HG22 VAL A 117 2.738 -8.766 6.840 1.00 1.15 H new ATOM 0 HG23 VAL A 117 4.148 -9.475 7.661 1.00 1.15 H new ATOM 1852 N GLU A 118 1.724 -6.280 11.056 1.00 1.32 N ATOM 1853 CA GLU A 118 1.118 -5.913 12.340 1.00 1.30 C ATOM 1854 C GLU A 118 -0.389 -5.738 12.140 1.00 1.47 C ATOM 1855 O GLU A 118 -0.822 -4.975 11.277 1.00 2.17 O ATOM 1856 CB GLU A 118 1.670 -4.578 12.877 1.00 1.49 C ATOM 1857 CG GLU A 118 3.039 -4.656 13.561 1.00 1.84 C ATOM 1858 CD GLU A 118 3.322 -3.311 14.231 1.00 2.75 C ATOM 1859 OE1 GLU A 118 3.723 -2.369 13.513 1.00 3.77 O ATOM 1860 OE2 GLU A 118 2.988 -3.137 15.424 1.00 3.36 O ATOM 0 H GLU A 118 1.409 -5.679 10.295 1.00 1.32 H new ATOM 0 HA GLU A 118 1.349 -6.704 13.053 1.00 1.30 H new ATOM 0 HB2 GLU A 118 1.737 -3.873 12.048 1.00 1.49 H new ATOM 0 HB3 GLU A 118 0.952 -4.167 13.587 1.00 1.49 H new ATOM 0 HG2 GLU A 118 3.048 -5.457 14.300 1.00 1.84 H new ATOM 0 HG3 GLU A 118 3.815 -4.887 12.831 1.00 1.84 H new