USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 851 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 17 TYR OH : rot -16:sc= 1.23 USER MOD Set 1.2: A 88 TYR OH : rot 53:sc= 0.631! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0283) USER MOD Single : A 16 ASN :FLIP amide:sc= -3.3! C(o=-5.2!,f=-3.3!) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.198 F(o=-0.81,f=-0.2) USER MOD Single : A 25 THR OG1 : rot -108:sc= 0.512 USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= -1.09 (180deg=-3.96!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 CYS SG : rot 163:sc= -0.169 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -121:sc= 1.14 (180deg=-3.01!) USER MOD Single : A 47 TYR OH : rot -136:sc= 0.00117 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -150:sc= -1.67 USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0.355 (180deg=0.335) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -24:sc= 0.552 USER MOD Single : A 73 ASN : amide:sc= -6.85! C(o=-6.9!,f=-7.1!) USER MOD Single : A 84 THR OG1 : rot -17:sc= 0.663 USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= -1.58 (180deg=-1.66) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.244 (180deg=-0.519) USER MOD Single : A 95 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.4!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -6.91! C(o=-6.9!,f=-12!) USER MOD Single : A 117 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0922) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= 0.282 (180deg=0.188) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -0.908 8.502 -7.867 1.00 14.24 N ATOM 84 CA PRO A 8 -1.339 7.225 -8.445 1.00 15.51 C ATOM 85 C PRO A 8 -1.816 6.246 -7.378 1.00 72.52 C ATOM 86 O PRO A 8 -2.947 5.763 -7.421 1.00 41.40 O ATOM 87 CB PRO A 8 -0.077 6.688 -9.123 1.00 3.35 C ATOM 88 CG PRO A 8 1.053 7.344 -8.411 1.00 63.20 C ATOM 89 CD PRO A 8 0.551 8.691 -7.967 1.00 34.42 C ATOM 0 HA PRO A 8 -2.181 7.353 -9.125 1.00 15.51 H new ATOM 0 HB2 PRO A 8 -0.017 5.603 -9.042 1.00 3.35 H new ATOM 0 HB3 PRO A 8 -0.067 6.930 -10.186 1.00 3.35 H new ATOM 0 HG2 PRO A 8 1.372 6.747 -7.556 1.00 63.20 H new ATOM 0 HG3 PRO A 8 1.917 7.449 -9.067 1.00 63.20 H new ATOM 0 HD2 PRO A 8 0.984 8.985 -7.011 1.00 34.42 H new ATOM 0 HD3 PRO A 8 0.806 9.470 -8.685 1.00 34.42 H new ATOM 97 N VAL A 9 -0.940 5.962 -6.420 1.00 44.12 N ATOM 98 CA VAL A 9 -1.256 5.046 -5.333 1.00 62.33 C ATOM 99 C VAL A 9 -2.487 5.526 -4.567 1.00 22.23 C ATOM 100 O VAL A 9 -2.611 6.707 -4.243 1.00 54.03 O ATOM 101 CB VAL A 9 -0.048 4.889 -4.375 1.00 64.01 C ATOM 102 CG1 VAL A 9 0.594 6.239 -4.092 1.00 13.52 C ATOM 103 CG2 VAL A 9 -0.445 4.192 -3.077 1.00 42.03 C ATOM 0 H VAL A 9 -0.000 6.356 -6.376 1.00 44.12 H new ATOM 0 HA VAL A 9 -1.477 4.070 -5.766 1.00 62.33 H new ATOM 0 HB VAL A 9 0.687 4.256 -4.873 1.00 64.01 H new ATOM 0 HG11 VAL A 9 1.440 6.105 -3.418 1.00 13.52 H new ATOM 0 HG12 VAL A 9 0.941 6.680 -5.026 1.00 13.52 H new ATOM 0 HG13 VAL A 9 -0.138 6.900 -3.629 1.00 13.52 H new ATOM 0 HG21 VAL A 9 0.428 4.100 -2.431 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -1.212 4.777 -2.569 1.00 42.03 H new ATOM 0 HG23 VAL A 9 -0.836 3.200 -3.302 1.00 42.03 H new ATOM 113 N THR A 10 -3.399 4.599 -4.296 1.00 5.01 N ATOM 114 CA THR A 10 -4.630 4.917 -3.585 1.00 75.12 C ATOM 115 C THR A 10 -4.380 5.138 -2.096 1.00 31.32 C ATOM 116 O THR A 10 -4.254 4.185 -1.326 1.00 72.42 O ATOM 117 CB THR A 10 -5.653 3.796 -3.776 1.00 63.14 C ATOM 118 OG1 THR A 10 -5.784 3.465 -5.148 1.00 31.52 O ATOM 119 CG2 THR A 10 -7.030 4.146 -3.255 1.00 13.33 C ATOM 0 H THR A 10 -3.308 3.618 -4.559 1.00 5.01 H new ATOM 0 HA THR A 10 -5.021 5.845 -4.002 1.00 75.12 H new ATOM 0 HB THR A 10 -5.268 2.954 -3.201 1.00 63.14 H new ATOM 0 HG1 THR A 10 -6.441 2.745 -5.250 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.706 3.308 -3.422 1.00 13.33 H new ATOM 0 HG22 THR A 10 -6.972 4.358 -2.187 1.00 13.33 H new ATOM 0 HG23 THR A 10 -7.405 5.025 -3.780 1.00 13.33 H new ATOM 127 N VAL A 11 -4.330 6.402 -1.693 1.00 71.41 N ATOM 128 CA VAL A 11 -4.120 6.744 -0.294 1.00 3.10 C ATOM 129 C VAL A 11 -5.428 6.620 0.476 1.00 13.32 C ATOM 130 O VAL A 11 -6.230 7.553 0.512 1.00 52.32 O ATOM 131 CB VAL A 11 -3.574 8.174 -0.134 1.00 61.10 C ATOM 132 CG1 VAL A 11 -3.215 8.449 1.318 1.00 2.44 C ATOM 133 CG2 VAL A 11 -2.372 8.393 -1.040 1.00 12.43 C ATOM 0 H VAL A 11 -4.432 7.204 -2.314 1.00 71.41 H new ATOM 0 HA VAL A 11 -3.383 6.048 0.106 1.00 3.10 H new ATOM 0 HB VAL A 11 -4.354 8.876 -0.430 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -2.831 9.465 1.412 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -4.103 8.338 1.940 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -2.453 7.741 1.645 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -2.001 9.410 -0.912 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -1.586 7.684 -0.779 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -2.667 8.242 -2.078 1.00 12.43 H new ATOM 143 N VAL A 12 -5.644 5.457 1.078 1.00 12.21 N ATOM 144 CA VAL A 12 -6.862 5.204 1.833 1.00 51.53 C ATOM 145 C VAL A 12 -6.649 5.455 3.318 1.00 64.22 C ATOM 146 O VAL A 12 -5.722 4.918 3.922 1.00 52.11 O ATOM 147 CB VAL A 12 -7.351 3.757 1.635 1.00 72.12 C ATOM 148 CG1 VAL A 12 -8.763 3.596 2.169 1.00 64.02 C ATOM 149 CG2 VAL A 12 -7.280 3.361 0.167 1.00 65.23 C ATOM 0 H VAL A 12 -4.990 4.674 1.057 1.00 12.21 H new ATOM 0 HA VAL A 12 -7.618 5.893 1.456 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.695 3.092 2.196 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -9.093 2.568 2.021 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -8.779 3.833 3.233 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -9.432 4.272 1.637 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -7.630 2.335 0.049 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -7.910 4.029 -0.421 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -6.249 3.435 -0.180 1.00 65.23 H new ATOM 159 N VAL A 13 -7.518 6.268 3.901 1.00 73.01 N ATOM 160 CA VAL A 13 -7.428 6.582 5.318 1.00 12.41 C ATOM 161 C VAL A 13 -7.976 5.434 6.154 1.00 65.31 C ATOM 162 O VAL A 13 -8.692 4.572 5.644 1.00 22.01 O ATOM 163 CB VAL A 13 -8.198 7.870 5.661 1.00 70.44 C ATOM 164 CG1 VAL A 13 -7.470 9.089 5.117 1.00 61.55 C ATOM 165 CG2 VAL A 13 -9.618 7.804 5.120 1.00 24.13 C ATOM 0 H VAL A 13 -8.292 6.721 3.415 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.374 6.734 5.549 1.00 12.41 H new ATOM 0 HB VAL A 13 -8.251 7.961 6.746 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -8.030 9.990 5.369 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -6.475 9.145 5.557 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -7.383 9.008 4.034 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -10.147 8.723 5.372 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -9.590 7.687 4.037 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -10.137 6.954 5.563 1.00 24.13 H new ATOM 175 N ALA A 14 -7.644 5.427 7.440 1.00 50.31 N ATOM 176 CA ALA A 14 -8.114 4.381 8.341 1.00 20.23 C ATOM 177 C ALA A 14 -9.629 4.214 8.242 1.00 61.22 C ATOM 178 O ALA A 14 -10.171 3.160 8.575 1.00 75.33 O ATOM 179 CB ALA A 14 -7.708 4.698 9.772 1.00 3.45 C ATOM 0 H ALA A 14 -7.053 6.132 7.881 1.00 50.31 H new ATOM 0 HA ALA A 14 -7.650 3.441 8.043 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.065 3.910 10.435 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -6.622 4.762 9.836 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.146 5.650 10.072 1.00 3.45 H new ATOM 185 N LYS A 15 -10.304 5.265 7.786 1.00 73.33 N ATOM 186 CA LYS A 15 -11.751 5.247 7.644 1.00 2.31 C ATOM 187 C LYS A 15 -12.193 4.277 6.546 1.00 0.43 C ATOM 188 O LYS A 15 -13.213 3.602 6.686 1.00 73.50 O ATOM 189 CB LYS A 15 -12.256 6.664 7.344 1.00 53.11 C ATOM 190 CG LYS A 15 -13.625 6.713 6.684 1.00 42.31 C ATOM 191 CD LYS A 15 -14.699 6.120 7.582 1.00 3.33 C ATOM 192 CE LYS A 15 -16.055 6.109 6.896 1.00 2.15 C ATOM 193 NZ LYS A 15 -16.604 7.482 6.728 1.00 24.30 N ATOM 0 H LYS A 15 -9.866 6.143 7.508 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.185 4.899 8.582 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -12.294 7.228 8.276 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -11.536 7.165 6.697 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -13.878 7.746 6.446 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -13.595 6.167 5.741 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -14.422 5.103 7.859 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -14.762 6.696 8.505 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -15.964 5.633 5.920 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -16.752 5.508 7.480 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -17.558 7.427 6.318 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -16.652 7.953 7.654 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -15.986 8.028 6.094 1.00 24.30 H new ATOM 207 N ASN A 16 -11.438 4.217 5.450 1.00 62.45 N ATOM 208 CA ASN A 16 -11.794 3.329 4.343 1.00 24.10 C ATOM 209 C ASN A 16 -10.772 2.222 4.127 1.00 13.24 C ATOM 210 O ASN A 16 -11.016 1.300 3.358 1.00 70.35 O ATOM 211 CB ASN A 16 -11.976 4.100 3.035 1.00 75.23 C ATOM 212 CG ASN A 16 -11.964 5.597 3.209 1.00 52.33 C ATOM 213 OD1 ASN A 16 -10.860 6.199 2.826 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -12.932 6.198 3.674 1.00 72.22 N flip ATOM 0 H ASN A 16 -10.589 4.763 5.305 1.00 62.45 H new ATOM 0 HA ASN A 16 -12.741 2.872 4.629 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -11.183 3.817 2.343 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -12.920 3.804 2.577 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -13.765 5.682 3.956 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -12.901 7.212 3.777 1.00 72.22 H new ATOM 221 N TYR A 17 -9.630 2.306 4.785 1.00 73.13 N ATOM 222 CA TYR A 17 -8.604 1.292 4.632 1.00 31.51 C ATOM 223 C TYR A 17 -9.190 -0.112 4.802 1.00 30.21 C ATOM 224 O TYR A 17 -8.718 -1.071 4.195 1.00 22.14 O ATOM 225 CB TYR A 17 -7.487 1.555 5.634 1.00 10.24 C ATOM 226 CG TYR A 17 -6.939 0.315 6.302 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.260 -0.644 5.569 1.00 41.43 C ATOM 228 CD2 TYR A 17 -7.107 0.107 7.663 1.00 60.52 C ATOM 229 CE1 TYR A 17 -5.759 -1.778 6.171 1.00 53.20 C ATOM 230 CE2 TYR A 17 -6.607 -1.025 8.276 1.00 61.12 C ATOM 231 CZ TYR A 17 -5.935 -1.965 7.525 1.00 1.23 C ATOM 232 OH TYR A 17 -5.432 -3.091 8.131 1.00 64.43 O ATOM 0 H TYR A 17 -9.391 3.062 5.427 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.193 1.344 3.624 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -6.672 2.068 5.124 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -7.858 2.233 6.403 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.121 -0.501 4.508 1.00 41.43 H new ATOM 0 HD2 TYR A 17 -7.637 0.841 8.252 1.00 60.52 H new ATOM 0 HE1 TYR A 17 -5.231 -2.516 5.585 1.00 53.20 H new ATOM 0 HE2 TYR A 17 -6.742 -1.173 9.337 1.00 61.12 H new ATOM 0 HH TYR A 17 -5.214 -3.760 7.449 1.00 64.43 H new ATOM 242 N ASN A 18 -10.228 -0.220 5.623 1.00 10.22 N ATOM 243 CA ASN A 18 -10.883 -1.498 5.860 1.00 34.50 C ATOM 244 C ASN A 18 -11.874 -1.825 4.742 1.00 51.55 C ATOM 245 O ASN A 18 -12.525 -2.869 4.768 1.00 73.34 O ATOM 246 CB ASN A 18 -11.605 -1.482 7.209 1.00 33.25 C ATOM 247 CG ASN A 18 -12.694 -0.429 7.269 1.00 43.31 C ATOM 248 OD1 ASN A 18 -13.843 -0.731 6.677 1.00 72.43 O flip ATOM 249 ND2 ASN A 18 -12.505 0.644 7.842 1.00 21.11 N flip ATOM 0 H ASN A 18 -10.633 0.563 6.135 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.115 -2.271 5.874 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.041 -2.463 7.396 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -10.881 -1.298 8.003 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -11.606 0.835 8.284 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -13.248 1.342 7.875 1.00 21.11 H new ATOM 256 N GLU A 19 -11.991 -0.928 3.763 1.00 74.43 N ATOM 257 CA GLU A 19 -12.902 -1.135 2.643 1.00 71.35 C ATOM 258 C GLU A 19 -12.142 -1.172 1.324 1.00 43.22 C ATOM 259 O GLU A 19 -12.272 -2.104 0.532 1.00 73.12 O ATOM 260 CB GLU A 19 -13.974 -0.035 2.625 1.00 22.30 C ATOM 261 CG GLU A 19 -13.633 1.217 1.837 1.00 32.11 C ATOM 262 CD GLU A 19 -14.790 2.195 1.774 1.00 63.10 C ATOM 263 OE1 GLU A 19 -15.000 2.930 2.761 1.00 13.41 O ATOM 264 OE2 GLU A 19 -15.485 2.226 0.737 1.00 3.41 O ATOM 0 H GLU A 19 -11.467 -0.054 3.725 1.00 74.43 H new ATOM 0 HA GLU A 19 -13.394 -2.099 2.770 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -14.892 -0.458 2.217 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -14.186 0.254 3.654 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -12.772 1.706 2.293 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -13.342 0.937 0.824 1.00 32.11 H new ATOM 271 N ILE A 20 -11.363 -0.131 1.107 1.00 42.00 N ATOM 272 CA ILE A 20 -10.571 0.017 -0.110 1.00 52.51 C ATOM 273 C ILE A 20 -9.348 -0.897 -0.117 1.00 35.23 C ATOM 274 O ILE A 20 -9.061 -1.549 -1.120 1.00 61.03 O ATOM 275 CB ILE A 20 -10.093 1.469 -0.281 1.00 24.15 C ATOM 276 CG1 ILE A 20 -11.269 2.441 -0.122 1.00 54.14 C ATOM 277 CG2 ILE A 20 -9.405 1.651 -1.628 1.00 31.52 C ATOM 278 CD1 ILE A 20 -12.089 2.632 -1.382 1.00 65.13 C ATOM 0 H ILE A 20 -11.257 0.640 1.767 1.00 42.00 H new ATOM 0 HA ILE A 20 -11.225 -0.263 -0.935 1.00 52.51 H new ATOM 0 HB ILE A 20 -9.364 1.691 0.498 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -11.922 2.078 0.672 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.885 3.409 0.199 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -9.074 2.684 -1.731 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.543 0.986 -1.689 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -10.105 1.413 -2.429 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -12.900 3.333 -1.185 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -11.452 3.026 -2.174 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -12.505 1.674 -1.694 1.00 65.13 H new ATOM 290 N VAL A 21 -8.625 -0.937 0.999 1.00 13.15 N ATOM 291 CA VAL A 21 -7.434 -1.768 1.098 1.00 74.31 C ATOM 292 C VAL A 21 -7.791 -3.170 1.538 1.00 32.11 C ATOM 293 O VAL A 21 -7.080 -4.134 1.253 1.00 30.43 O ATOM 294 CB VAL A 21 -6.438 -1.192 2.113 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.169 -2.030 2.154 1.00 12.14 C ATOM 296 CG2 VAL A 21 -6.128 0.265 1.804 1.00 4.12 C ATOM 0 H VAL A 21 -8.843 -0.406 1.842 1.00 13.15 H new ATOM 0 HA VAL A 21 -6.980 -1.789 0.107 1.00 74.31 H new ATOM 0 HB VAL A 21 -6.897 -1.229 3.101 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.476 -1.605 2.880 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -5.417 -3.051 2.444 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -4.704 -2.035 1.168 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.420 0.650 2.538 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.695 0.341 0.807 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -7.047 0.849 1.846 1.00 4.12 H new ATOM 306 N LEU A 22 -8.893 -3.268 2.251 1.00 62.02 N ATOM 307 CA LEU A 22 -9.356 -4.534 2.762 1.00 15.22 C ATOM 308 C LEU A 22 -10.391 -5.148 1.835 1.00 41.35 C ATOM 309 O LEU A 22 -11.154 -6.031 2.228 1.00 65.21 O ATOM 310 CB LEU A 22 -9.928 -4.311 4.149 1.00 73.24 C ATOM 311 CG LEU A 22 -9.876 -5.525 5.070 1.00 62.35 C ATOM 312 CD1 LEU A 22 -9.536 -5.103 6.490 1.00 60.20 C ATOM 313 CD2 LEU A 22 -11.193 -6.283 5.032 1.00 13.10 C ATOM 0 H LEU A 22 -9.488 -2.475 2.490 1.00 62.02 H new ATOM 0 HA LEU A 22 -8.523 -5.235 2.819 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -9.386 -3.492 4.622 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -10.966 -3.992 4.051 1.00 73.24 H new ATOM 0 HG LEU A 22 -9.090 -6.193 4.716 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -9.503 -5.983 7.133 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -8.564 -4.610 6.500 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -10.297 -4.414 6.857 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -11.136 -7.146 5.696 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -12.000 -5.627 5.359 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -11.389 -6.621 4.014 1.00 13.10 H new ATOM 325 N ASP A 23 -10.403 -4.676 0.596 1.00 73.33 N ATOM 326 CA ASP A 23 -11.334 -5.176 -0.402 1.00 10.24 C ATOM 327 C ASP A 23 -10.819 -6.478 -1.012 1.00 65.21 C ATOM 328 O ASP A 23 -9.612 -6.668 -1.159 1.00 42.23 O ATOM 329 CB ASP A 23 -11.553 -4.133 -1.499 1.00 34.23 C ATOM 330 CG ASP A 23 -13.008 -4.026 -1.913 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.887 -4.241 -1.052 1.00 43.53 O ATOM 332 OD2 ASP A 23 -13.268 -3.727 -3.097 1.00 23.33 O ATOM 0 H ASP A 23 -9.776 -3.945 0.259 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.287 -5.374 0.089 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.206 -3.161 -1.147 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.949 -4.392 -2.368 1.00 34.23 H new ATOM 337 N ASP A 24 -11.738 -7.370 -1.364 1.00 43.30 N ATOM 338 CA ASP A 24 -11.371 -8.653 -1.956 1.00 4.41 C ATOM 339 C ASP A 24 -11.376 -8.576 -3.487 1.00 13.13 C ATOM 340 O ASP A 24 -11.185 -9.583 -4.169 1.00 73.32 O ATOM 341 CB ASP A 24 -12.328 -9.747 -1.462 1.00 72.31 C ATOM 342 CG ASP A 24 -12.194 -11.050 -2.229 1.00 44.42 C ATOM 343 OD1 ASP A 24 -11.300 -11.851 -1.886 1.00 4.20 O ATOM 344 OD2 ASP A 24 -12.984 -11.269 -3.171 1.00 54.41 O ATOM 0 H ASP A 24 -12.742 -7.229 -1.250 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.357 -8.903 -1.643 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -12.140 -9.934 -0.405 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -13.354 -9.388 -1.545 1.00 72.31 H new ATOM 349 N THR A 25 -11.583 -7.377 -4.024 1.00 53.34 N ATOM 350 CA THR A 25 -11.600 -7.185 -5.468 1.00 13.33 C ATOM 351 C THR A 25 -10.213 -7.413 -6.058 1.00 21.11 C ATOM 352 O THR A 25 -10.077 -7.872 -7.192 1.00 50.55 O ATOM 353 CB THR A 25 -12.088 -5.777 -5.811 1.00 15.52 C ATOM 354 OG1 THR A 25 -11.352 -4.802 -5.094 1.00 52.32 O ATOM 355 CG2 THR A 25 -13.555 -5.560 -5.506 1.00 12.41 C ATOM 0 H THR A 25 -11.741 -6.527 -3.482 1.00 53.34 H new ATOM 0 HA THR A 25 -12.286 -7.913 -5.901 1.00 13.33 H new ATOM 0 HB THR A 25 -11.938 -5.674 -6.886 1.00 15.52 H new ATOM 0 HG1 THR A 25 -11.920 -4.408 -4.399 1.00 52.32 H new ATOM 0 HG21 THR A 25 -13.835 -4.541 -5.773 1.00 12.41 H new ATOM 0 HG22 THR A 25 -14.155 -6.264 -6.083 1.00 12.41 H new ATOM 0 HG23 THR A 25 -13.733 -5.718 -4.442 1.00 12.41 H new ATOM 363 N LYS A 26 -9.186 -7.088 -5.279 1.00 64.34 N ATOM 364 CA LYS A 26 -7.808 -7.255 -5.722 1.00 52.34 C ATOM 365 C LYS A 26 -6.844 -7.183 -4.541 1.00 41.14 C ATOM 366 O LYS A 26 -7.239 -6.849 -3.425 1.00 70.12 O ATOM 367 CB LYS A 26 -7.446 -6.186 -6.755 1.00 43.41 C ATOM 368 CG LYS A 26 -8.139 -4.850 -6.529 1.00 45.11 C ATOM 369 CD LYS A 26 -7.597 -4.138 -5.299 1.00 24.03 C ATOM 370 CE LYS A 26 -8.455 -2.940 -4.924 1.00 22.42 C ATOM 371 NZ LYS A 26 -8.842 -2.137 -6.116 1.00 4.32 N ATOM 0 H LYS A 26 -9.283 -6.707 -4.338 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.719 -8.239 -6.182 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -6.367 -6.031 -6.741 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -7.702 -6.554 -7.749 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -8.004 -4.217 -7.406 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -9.211 -5.011 -6.414 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -7.558 -4.835 -4.462 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -6.575 -3.810 -5.488 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -9.353 -3.284 -4.411 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -7.909 -2.308 -4.223 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -8.759 -1.124 -5.894 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -8.213 -2.370 -6.911 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -9.825 -2.354 -6.377 1.00 4.32 H new ATOM 385 N ASP A 27 -5.576 -7.492 -4.797 1.00 24.42 N ATOM 386 CA ASP A 27 -4.557 -7.454 -3.759 1.00 22.11 C ATOM 387 C ASP A 27 -4.166 -6.013 -3.460 1.00 12.42 C ATOM 388 O ASP A 27 -3.681 -5.298 -4.336 1.00 4.03 O ATOM 389 CB ASP A 27 -3.328 -8.254 -4.195 1.00 1.12 C ATOM 390 CG ASP A 27 -2.837 -9.194 -3.113 1.00 23.20 C ATOM 391 OD1 ASP A 27 -2.412 -8.701 -2.047 1.00 61.20 O ATOM 392 OD2 ASP A 27 -2.882 -10.423 -3.330 1.00 44.20 O ATOM 0 H ASP A 27 -5.232 -7.771 -5.716 1.00 24.42 H new ATOM 0 HA ASP A 27 -4.964 -7.903 -2.853 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.570 -8.828 -5.089 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.527 -7.566 -4.466 1.00 1.12 H new ATOM 397 N VAL A 28 -4.388 -5.583 -2.226 1.00 13.21 N ATOM 398 CA VAL A 28 -4.063 -4.218 -1.837 1.00 73.13 C ATOM 399 C VAL A 28 -2.956 -4.177 -0.794 1.00 22.42 C ATOM 400 O VAL A 28 -3.073 -4.767 0.280 1.00 22.43 O ATOM 401 CB VAL A 28 -5.296 -3.474 -1.291 1.00 31.52 C ATOM 402 CG1 VAL A 28 -5.051 -1.974 -1.285 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.535 -3.812 -2.107 1.00 74.34 C ATOM 0 H VAL A 28 -4.789 -6.154 -1.482 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.716 -3.718 -2.741 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.467 -3.800 -0.265 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -5.932 -1.463 -0.896 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.192 -1.748 -0.653 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -4.853 -1.634 -2.301 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.394 -3.275 -1.704 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.378 -3.518 -3.145 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.722 -4.885 -2.058 1.00 74.34 H new ATOM 413 N LEU A 29 -1.887 -3.461 -1.119 1.00 22.35 N ATOM 414 CA LEU A 29 -0.754 -3.318 -0.215 1.00 32.45 C ATOM 415 C LEU A 29 -0.827 -1.980 0.502 1.00 41.43 C ATOM 416 O LEU A 29 -0.589 -0.934 -0.101 1.00 13.44 O ATOM 417 CB LEU A 29 0.564 -3.419 -0.990 1.00 2.32 C ATOM 418 CG LEU A 29 1.568 -4.443 -0.451 1.00 24.12 C ATOM 419 CD1 LEU A 29 2.939 -4.219 -1.070 1.00 50.44 C ATOM 420 CD2 LEU A 29 1.653 -4.368 1.067 1.00 4.34 C ATOM 0 H LEU A 29 -1.781 -2.969 -2.006 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.792 -4.122 0.520 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.338 -3.669 -2.027 1.00 2.32 H new ATOM 0 HB3 LEU A 29 1.039 -2.438 -0.995 1.00 2.32 H new ATOM 0 HG LEU A 29 1.220 -5.439 -0.725 1.00 24.12 H new ATOM 0 HD11 LEU A 29 3.640 -4.955 -0.676 1.00 50.44 H new ATOM 0 HD12 LEU A 29 2.871 -4.325 -2.153 1.00 50.44 H new ATOM 0 HD13 LEU A 29 3.289 -3.216 -0.825 1.00 50.44 H new ATOM 0 HD21 LEU A 29 2.372 -5.104 1.428 1.00 4.34 H new ATOM 0 HD22 LEU A 29 1.975 -3.370 1.365 1.00 4.34 H new ATOM 0 HD23 LEU A 29 0.673 -4.576 1.497 1.00 4.34 H new ATOM 432 N ILE A 30 -1.157 -2.009 1.787 1.00 72.20 N ATOM 433 CA ILE A 30 -1.252 -0.768 2.549 1.00 41.13 C ATOM 434 C ILE A 30 0.070 -0.432 3.226 1.00 41.14 C ATOM 435 O ILE A 30 0.680 -1.280 3.876 1.00 2.42 O ATOM 436 CB ILE A 30 -2.382 -0.803 3.603 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.013 0.595 3.729 1.00 44.24 C ATOM 438 CG2 ILE A 30 -1.857 -1.297 4.947 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.795 0.819 5.000 1.00 63.54 C ATOM 0 H ILE A 30 -1.360 -2.858 2.315 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.494 0.012 1.827 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.151 -1.504 3.278 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.222 1.343 3.668 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.674 0.759 2.878 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -2.671 -1.313 5.672 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.454 -2.303 4.832 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.071 -0.629 5.298 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.203 1.830 5.003 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.611 0.098 5.057 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.137 0.691 5.859 1.00 63.54 H new ATOM 451 N GLU A 31 0.507 0.810 3.064 1.00 61.25 N ATOM 452 CA GLU A 31 1.758 1.261 3.656 1.00 30.23 C ATOM 453 C GLU A 31 1.542 2.463 4.573 1.00 70.24 C ATOM 454 O GLU A 31 1.624 3.610 4.135 1.00 52.11 O ATOM 455 CB GLU A 31 2.762 1.619 2.556 1.00 53.44 C ATOM 456 CG GLU A 31 4.093 2.135 3.082 1.00 31.40 C ATOM 457 CD GLU A 31 4.835 2.975 2.062 1.00 14.42 C ATOM 458 OE1 GLU A 31 4.950 2.533 0.899 1.00 42.43 O ATOM 459 OE2 GLU A 31 5.303 4.074 2.426 1.00 41.43 O ATOM 0 H GLU A 31 0.013 1.523 2.527 1.00 61.25 H new ATOM 0 HA GLU A 31 2.155 0.444 4.259 1.00 30.23 H new ATOM 0 HB2 GLU A 31 2.942 0.737 1.941 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.321 2.375 1.907 1.00 53.44 H new ATOM 0 HG2 GLU A 31 3.920 2.729 3.979 1.00 31.40 H new ATOM 0 HG3 GLU A 31 4.716 1.290 3.374 1.00 31.40 H new ATOM 466 N PHE A 32 1.292 2.194 5.853 1.00 61.02 N ATOM 467 CA PHE A 32 1.099 3.258 6.834 1.00 65.22 C ATOM 468 C PHE A 32 2.285 4.201 6.799 1.00 74.45 C ATOM 469 O PHE A 32 3.427 3.747 6.750 1.00 1.24 O ATOM 470 CB PHE A 32 0.970 2.680 8.243 1.00 73.53 C ATOM 471 CG PHE A 32 -0.109 1.642 8.380 1.00 44.52 C ATOM 472 CD1 PHE A 32 0.152 0.309 8.109 1.00 34.11 C ATOM 473 CD2 PHE A 32 -1.385 2.003 8.782 1.00 75.21 C ATOM 474 CE1 PHE A 32 -0.839 -0.646 8.237 1.00 23.20 C ATOM 475 CE2 PHE A 32 -2.380 1.054 8.911 1.00 33.35 C ATOM 476 CZ PHE A 32 -2.107 -0.273 8.638 1.00 52.32 C ATOM 0 H PHE A 32 1.219 1.251 6.234 1.00 61.02 H new ATOM 0 HA PHE A 32 0.183 3.793 6.584 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.924 2.239 8.533 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.769 3.493 8.941 1.00 73.53 H new ATOM 0 HD1 PHE A 32 1.142 0.012 7.794 1.00 34.11 H new ATOM 0 HD2 PHE A 32 -1.604 3.039 8.997 1.00 75.21 H new ATOM 0 HE1 PHE A 32 -0.622 -1.682 8.024 1.00 23.20 H new ATOM 0 HE2 PHE A 32 -3.370 1.349 9.225 1.00 33.35 H new ATOM 0 HZ PHE A 32 -2.884 -1.017 8.738 1.00 52.32 H new ATOM 486 N TYR A 33 2.018 5.504 6.814 1.00 41.11 N ATOM 487 CA TYR A 33 3.087 6.494 6.769 1.00 65.10 C ATOM 488 C TYR A 33 2.704 7.785 7.488 1.00 0.14 C ATOM 489 O TYR A 33 1.742 7.831 8.255 1.00 21.44 O ATOM 490 CB TYR A 33 3.436 6.813 5.315 1.00 55.23 C ATOM 491 CG TYR A 33 2.360 7.601 4.597 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.134 7.023 4.293 1.00 40.24 C ATOM 493 CD2 TYR A 33 2.568 8.927 4.236 1.00 44.32 C ATOM 494 CE1 TYR A 33 0.147 7.743 3.646 1.00 61.35 C ATOM 495 CE2 TYR A 33 1.585 9.653 3.591 1.00 24.31 C ATOM 496 CZ TYR A 33 0.377 9.057 3.299 1.00 73.12 C ATOM 497 OH TYR A 33 -0.603 9.779 2.658 1.00 23.25 O ATOM 0 H TYR A 33 1.077 5.896 6.857 1.00 41.11 H new ATOM 0 HA TYR A 33 3.949 6.066 7.281 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.368 7.377 5.288 1.00 55.23 H new ATOM 0 HB3 TYR A 33 3.612 5.881 4.778 1.00 55.23 H new ATOM 0 HD1 TYR A 33 0.949 5.995 4.566 1.00 40.24 H new ATOM 0 HD2 TYR A 33 3.513 9.398 4.463 1.00 44.32 H new ATOM 0 HE1 TYR A 33 -0.800 7.278 3.414 1.00 61.35 H new ATOM 0 HE2 TYR A 33 1.762 10.682 3.317 1.00 24.31 H new ATOM 0 HH TYR A 33 -0.280 10.688 2.486 1.00 23.25 H new ATOM 507 N ALA A 34 3.475 8.831 7.211 1.00 72.21 N ATOM 508 CA ALA A 34 3.256 10.144 7.791 1.00 21.32 C ATOM 509 C ALA A 34 3.701 11.221 6.805 1.00 43.41 C ATOM 510 O ALA A 34 4.360 10.923 5.809 1.00 1.30 O ATOM 511 CB ALA A 34 4.016 10.277 9.102 1.00 75.21 C ATOM 0 H ALA A 34 4.271 8.788 6.575 1.00 72.21 H new ATOM 0 HA ALA A 34 2.193 10.270 7.998 1.00 21.32 H new ATOM 0 HB1 ALA A 34 3.842 11.267 9.525 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.669 9.517 9.802 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.082 10.143 8.920 1.00 75.21 H new ATOM 517 N PRO A 35 3.374 12.488 7.078 1.00 54.30 N ATOM 518 CA PRO A 35 3.763 13.603 6.229 1.00 5.43 C ATOM 519 C PRO A 35 5.132 14.121 6.627 1.00 35.33 C ATOM 520 O PRO A 35 5.802 14.827 5.873 1.00 62.40 O ATOM 521 CB PRO A 35 2.689 14.634 6.540 1.00 42.25 C ATOM 522 CG PRO A 35 2.361 14.407 7.979 1.00 35.10 C ATOM 523 CD PRO A 35 2.625 12.945 8.258 1.00 41.21 C ATOM 0 HA PRO A 35 3.835 13.349 5.172 1.00 5.43 H new ATOM 0 HB2 PRO A 35 3.051 15.648 6.370 1.00 42.25 H new ATOM 0 HB3 PRO A 35 1.812 14.498 5.907 1.00 42.25 H new ATOM 0 HG2 PRO A 35 2.974 15.040 8.620 1.00 35.10 H new ATOM 0 HG3 PRO A 35 1.320 14.658 8.183 1.00 35.10 H new ATOM 0 HD2 PRO A 35 3.201 12.811 9.173 1.00 41.21 H new ATOM 0 HD3 PRO A 35 1.696 12.388 8.382 1.00 41.21 H new ATOM 531 N TRP A 36 5.525 13.749 7.835 1.00 31.21 N ATOM 532 CA TRP A 36 6.812 14.148 8.397 1.00 75.21 C ATOM 533 C TRP A 36 7.759 12.958 8.505 1.00 62.33 C ATOM 534 O TRP A 36 8.785 13.026 9.182 1.00 1.45 O ATOM 535 CB TRP A 36 6.596 14.754 9.775 1.00 52.43 C ATOM 536 CG TRP A 36 5.974 13.797 10.744 1.00 41.11 C ATOM 537 CD1 TRP A 36 4.640 13.586 10.939 1.00 21.41 C ATOM 538 CD2 TRP A 36 6.655 12.918 11.647 1.00 13.21 C ATOM 539 NE1 TRP A 36 4.448 12.621 11.896 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.670 12.199 12.351 1.00 14.12 C ATOM 541 CE3 TRP A 36 8.001 12.667 11.926 1.00 31.24 C ATOM 542 CZ2 TRP A 36 5.990 11.246 13.315 1.00 12.14 C ATOM 543 CZ3 TRP A 36 8.317 11.722 12.885 1.00 62.31 C ATOM 544 CH2 TRP A 36 7.316 11.022 13.569 1.00 0.12 C ATOM 0 H TRP A 36 4.965 13.164 8.454 1.00 31.21 H new ATOM 0 HA TRP A 36 7.264 14.884 7.732 1.00 75.21 H new ATOM 0 HB2 TRP A 36 7.553 15.093 10.171 1.00 52.43 H new ATOM 0 HB3 TRP A 36 5.960 15.634 9.683 1.00 52.43 H new ATOM 0 HD1 TRP A 36 3.849 14.104 10.416 1.00 21.41 H new ATOM 0 HE1 TRP A 36 3.544 12.275 12.216 1.00 33.33 H new ATOM 0 HE3 TRP A 36 8.780 13.201 11.402 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 5.220 10.703 13.843 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 9.354 11.521 13.110 1.00 62.31 H new ATOM 0 HH2 TRP A 36 7.596 10.290 14.312 1.00 0.12 H new ATOM 555 N CYS A 37 7.401 11.870 7.842 1.00 12.21 N ATOM 556 CA CYS A 37 8.208 10.657 7.868 1.00 73.34 C ATOM 557 C CYS A 37 9.225 10.648 6.734 1.00 74.40 C ATOM 558 O CYS A 37 8.880 10.395 5.580 1.00 21.03 O ATOM 559 CB CYS A 37 7.310 9.422 7.770 1.00 61.20 C ATOM 560 SG CYS A 37 7.796 8.068 8.865 1.00 11.22 S ATOM 0 H CYS A 37 6.555 11.800 7.277 1.00 12.21 H new ATOM 0 HA CYS A 37 8.749 10.635 8.814 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.285 9.712 8.001 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.315 9.063 6.741 1.00 61.20 H new ATOM 0 HG CYS A 37 6.976 7.071 8.712 1.00 11.22 H new ATOM 566 N GLY A 38 10.483 10.915 7.071 1.00 73.01 N ATOM 567 CA GLY A 38 11.529 10.920 6.068 1.00 54.25 C ATOM 568 C GLY A 38 11.642 9.586 5.357 1.00 23.12 C ATOM 569 O GLY A 38 12.119 9.515 4.224 1.00 65.32 O ATOM 0 H GLY A 38 10.795 11.127 8.019 1.00 73.01 H new ATOM 0 HA2 GLY A 38 11.327 11.704 5.338 1.00 54.25 H new ATOM 0 HA3 GLY A 38 12.482 11.161 6.539 1.00 54.25 H new ATOM 573 N HIS A 39 11.194 8.526 6.025 1.00 2.33 N ATOM 574 CA HIS A 39 11.238 7.187 5.453 1.00 41.12 C ATOM 575 C HIS A 39 10.235 7.059 4.311 1.00 11.52 C ATOM 576 O HIS A 39 10.564 6.556 3.237 1.00 25.14 O ATOM 577 CB HIS A 39 10.946 6.139 6.530 1.00 52.33 C ATOM 578 CG HIS A 39 11.933 5.014 6.553 1.00 24.32 C ATOM 579 ND1 HIS A 39 13.280 5.199 6.778 1.00 54.12 N ATOM 580 CD2 HIS A 39 11.762 3.681 6.379 1.00 21.12 C ATOM 581 CE1 HIS A 39 13.896 4.030 6.740 1.00 22.32 C ATOM 582 NE2 HIS A 39 12.997 3.094 6.500 1.00 30.33 N ATOM 0 H HIS A 39 10.797 8.570 6.963 1.00 2.33 H new ATOM 0 HA HIS A 39 12.239 7.015 5.057 1.00 41.12 H new ATOM 0 HB2 HIS A 39 10.938 6.625 7.506 1.00 52.33 H new ATOM 0 HB3 HIS A 39 9.948 5.732 6.369 1.00 52.33 H new ATOM 0 HD2 HIS A 39 10.828 3.175 6.182 1.00 21.12 H new ATOM 0 HE1 HIS A 39 14.954 3.868 6.881 1.00 22.32 H new ATOM 0 HE2 HIS A 39 13.189 2.096 6.418 1.00 30.33 H new ATOM 591 N CYS A 40 9.011 7.523 4.549 1.00 60.23 N ATOM 592 CA CYS A 40 7.965 7.466 3.536 1.00 12.10 C ATOM 593 C CYS A 40 8.389 8.230 2.290 1.00 73.23 C ATOM 594 O CYS A 40 8.077 7.837 1.166 1.00 34.22 O ATOM 595 CB CYS A 40 6.655 8.038 4.081 1.00 63.34 C ATOM 596 SG CYS A 40 5.295 8.033 2.889 1.00 13.53 S ATOM 0 H CYS A 40 8.721 7.941 5.433 1.00 60.23 H new ATOM 0 HA CYS A 40 7.805 6.421 3.270 1.00 12.10 H new ATOM 0 HB2 CYS A 40 6.357 7.464 4.958 1.00 63.34 H new ATOM 0 HB3 CYS A 40 6.828 9.061 4.414 1.00 63.34 H new ATOM 0 HG CYS A 40 4.168 8.194 3.516 1.00 13.53 H new ATOM 602 N LYS A 41 9.113 9.320 2.504 1.00 21.23 N ATOM 603 CA LYS A 41 9.599 10.145 1.402 1.00 10.33 C ATOM 604 C LYS A 41 10.478 9.326 0.458 1.00 54.14 C ATOM 605 O LYS A 41 10.659 9.685 -0.706 1.00 74.52 O ATOM 606 CB LYS A 41 10.384 11.344 1.939 1.00 51.31 C ATOM 607 CG LYS A 41 9.646 12.127 3.013 1.00 32.41 C ATOM 608 CD LYS A 41 8.851 13.279 2.419 1.00 32.30 C ATOM 609 CE LYS A 41 7.382 13.196 2.801 1.00 55.12 C ATOM 610 NZ LYS A 41 6.619 14.388 2.337 1.00 20.54 N ATOM 0 H LYS A 41 9.378 9.655 3.430 1.00 21.23 H new ATOM 0 HA LYS A 41 8.736 10.508 0.844 1.00 10.33 H new ATOM 0 HB2 LYS A 41 11.333 10.993 2.345 1.00 51.31 H new ATOM 0 HB3 LYS A 41 10.619 12.013 1.111 1.00 51.31 H new ATOM 0 HG2 LYS A 41 8.974 11.460 3.553 1.00 32.41 H new ATOM 0 HG3 LYS A 41 10.362 12.514 3.739 1.00 32.41 H new ATOM 0 HD2 LYS A 41 9.265 14.226 2.766 1.00 32.30 H new ATOM 0 HD3 LYS A 41 8.947 13.267 1.333 1.00 32.30 H new ATOM 0 HE2 LYS A 41 6.945 12.295 2.370 1.00 55.12 H new ATOM 0 HE3 LYS A 41 7.293 13.107 3.884 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 5.622 14.293 2.617 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 7.019 15.246 2.768 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 6.682 14.459 1.301 1.00 20.54 H new ATOM 624 N ALA A 42 11.013 8.220 0.967 1.00 53.53 N ATOM 625 CA ALA A 42 11.864 7.339 0.176 1.00 63.24 C ATOM 626 C ALA A 42 11.065 6.156 -0.355 1.00 22.20 C ATOM 627 O ALA A 42 11.466 5.494 -1.312 1.00 35.20 O ATOM 628 CB ALA A 42 13.021 6.843 1.022 1.00 71.23 C ATOM 0 H ALA A 42 10.871 7.912 1.929 1.00 53.53 H new ATOM 0 HA ALA A 42 12.254 7.902 -0.672 1.00 63.24 H new ATOM 0 HB1 ALA A 42 13.653 6.185 0.425 1.00 71.23 H new ATOM 0 HB2 ALA A 42 13.608 7.693 1.369 1.00 71.23 H new ATOM 0 HB3 ALA A 42 12.635 6.294 1.881 1.00 71.23 H new ATOM 634 N LEU A 43 9.934 5.900 0.288 1.00 3.15 N ATOM 635 CA LEU A 43 9.053 4.800 -0.087 1.00 50.12 C ATOM 636 C LEU A 43 8.025 5.233 -1.134 1.00 0.15 C ATOM 637 O LEU A 43 7.401 4.403 -1.791 1.00 25.30 O ATOM 638 CB LEU A 43 8.327 4.290 1.152 1.00 20.44 C ATOM 639 CG LEU A 43 9.077 3.225 1.950 1.00 62.22 C ATOM 640 CD1 LEU A 43 10.041 3.876 2.930 1.00 75.32 C ATOM 641 CD2 LEU A 43 8.099 2.322 2.683 1.00 41.04 C ATOM 0 H LEU A 43 9.601 6.447 1.082 1.00 3.15 H new ATOM 0 HA LEU A 43 9.665 4.010 -0.521 1.00 50.12 H new ATOM 0 HB2 LEU A 43 8.122 5.136 1.808 1.00 20.44 H new ATOM 0 HB3 LEU A 43 7.363 3.882 0.847 1.00 20.44 H new ATOM 0 HG LEU A 43 9.653 2.614 1.255 1.00 62.22 H new ATOM 0 HD11 LEU A 43 10.567 3.103 3.490 1.00 75.32 H new ATOM 0 HD12 LEU A 43 10.763 4.482 2.382 1.00 75.32 H new ATOM 0 HD13 LEU A 43 9.485 4.510 3.621 1.00 75.32 H new ATOM 0 HD21 LEU A 43 8.651 1.569 3.246 1.00 41.04 H new ATOM 0 HD22 LEU A 43 7.496 2.918 3.368 1.00 41.04 H new ATOM 0 HD23 LEU A 43 7.447 1.830 1.961 1.00 41.04 H new ATOM 653 N ALA A 44 7.851 6.536 -1.269 1.00 71.13 N ATOM 654 CA ALA A 44 6.900 7.104 -2.216 1.00 14.25 C ATOM 655 C ALA A 44 7.328 6.900 -3.666 1.00 34.31 C ATOM 656 O ALA A 44 6.494 6.633 -4.525 1.00 74.45 O ATOM 657 CB ALA A 44 6.733 8.583 -1.949 1.00 30.41 C ATOM 0 H ALA A 44 8.363 7.232 -0.727 1.00 71.13 H new ATOM 0 HA ALA A 44 5.954 6.581 -2.073 1.00 14.25 H new ATOM 0 HB1 ALA A 44 6.021 9.003 -2.660 1.00 30.41 H new ATOM 0 HB2 ALA A 44 6.363 8.730 -0.934 1.00 30.41 H new ATOM 0 HB3 ALA A 44 7.695 9.084 -2.060 1.00 30.41 H new ATOM 663 N PRO A 45 8.631 7.027 -3.969 1.00 75.14 N ATOM 664 CA PRO A 45 9.123 6.854 -5.332 1.00 70.44 C ATOM 665 C PRO A 45 8.665 5.541 -5.921 1.00 62.41 C ATOM 666 O PRO A 45 8.382 5.435 -7.114 1.00 14.35 O ATOM 667 CB PRO A 45 10.639 6.843 -5.195 1.00 11.31 C ATOM 668 CG PRO A 45 10.953 7.397 -3.848 1.00 74.31 C ATOM 669 CD PRO A 45 9.703 7.340 -3.016 1.00 42.31 C ATOM 0 HA PRO A 45 8.754 7.641 -5.990 1.00 70.44 H new ATOM 0 HB2 PRO A 45 11.029 5.830 -5.297 1.00 11.31 H new ATOM 0 HB3 PRO A 45 11.102 7.444 -5.978 1.00 11.31 H new ATOM 0 HG2 PRO A 45 11.750 6.822 -3.377 1.00 74.31 H new ATOM 0 HG3 PRO A 45 11.307 8.424 -3.932 1.00 74.31 H new ATOM 0 HD2 PRO A 45 9.778 6.577 -2.241 1.00 42.31 H new ATOM 0 HD3 PRO A 45 9.520 8.289 -2.512 1.00 42.31 H new ATOM 677 N LYS A 46 8.588 4.545 -5.061 1.00 20.24 N ATOM 678 CA LYS A 46 8.150 3.215 -5.481 1.00 25.04 C ATOM 679 C LYS A 46 6.641 3.126 -5.453 1.00 42.02 C ATOM 680 O LYS A 46 6.039 2.340 -6.174 1.00 64.24 O ATOM 681 CB LYS A 46 8.737 2.129 -4.581 1.00 30.13 C ATOM 682 CG LYS A 46 8.079 2.042 -3.211 1.00 4.35 C ATOM 683 CD LYS A 46 9.068 2.269 -2.088 1.00 52.40 C ATOM 684 CE LYS A 46 9.823 0.994 -1.753 1.00 65.44 C ATOM 685 NZ LYS A 46 9.030 0.090 -0.874 1.00 23.32 N ATOM 0 H LYS A 46 8.820 4.623 -4.071 1.00 20.24 H new ATOM 0 HA LYS A 46 8.507 3.056 -6.498 1.00 25.04 H new ATOM 0 HB2 LYS A 46 8.641 1.165 -5.081 1.00 30.13 H new ATOM 0 HB3 LYS A 46 9.803 2.316 -4.450 1.00 30.13 H new ATOM 0 HG2 LYS A 46 7.281 2.781 -3.145 1.00 4.35 H new ATOM 0 HG3 LYS A 46 7.616 1.062 -3.093 1.00 4.35 H new ATOM 0 HD2 LYS A 46 9.774 3.048 -2.374 1.00 52.40 H new ATOM 0 HD3 LYS A 46 8.541 2.626 -1.203 1.00 52.40 H new ATOM 0 HE2 LYS A 46 10.078 0.471 -2.675 1.00 65.44 H new ATOM 0 HE3 LYS A 46 10.761 1.247 -1.260 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 9.552 -0.082 0.009 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 8.115 0.534 -0.655 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 8.868 -0.814 -1.362 1.00 23.32 H new ATOM 699 N TYR A 47 6.042 3.929 -4.601 1.00 61.23 N ATOM 700 CA TYR A 47 4.599 3.933 -4.457 1.00 23.14 C ATOM 701 C TYR A 47 3.936 4.711 -5.585 1.00 2.14 C ATOM 702 O TYR A 47 2.792 4.443 -5.948 1.00 1.03 O ATOM 703 CB TYR A 47 4.212 4.504 -3.096 1.00 43.44 C ATOM 704 CG TYR A 47 3.520 3.494 -2.216 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.133 2.288 -1.910 1.00 74.31 C ATOM 706 CD2 TYR A 47 2.256 3.739 -1.703 1.00 32.01 C ATOM 707 CE1 TYR A 47 3.506 1.352 -1.112 1.00 13.43 C ATOM 708 CE2 TYR A 47 1.619 2.809 -0.904 1.00 25.32 C ATOM 709 CZ TYR A 47 2.248 1.617 -0.611 1.00 43.13 C ATOM 710 OH TYR A 47 1.617 0.686 0.182 1.00 24.45 O ATOM 0 H TYR A 47 6.531 4.589 -3.996 1.00 61.23 H new ATOM 0 HA TYR A 47 4.243 2.905 -4.517 1.00 23.14 H new ATOM 0 HB2 TYR A 47 5.107 4.867 -2.591 1.00 43.44 H new ATOM 0 HB3 TYR A 47 3.557 5.363 -3.240 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.117 2.078 -2.302 1.00 74.31 H new ATOM 0 HD2 TYR A 47 1.761 4.671 -1.931 1.00 32.01 H new ATOM 0 HE1 TYR A 47 3.997 0.418 -0.881 1.00 13.43 H new ATOM 0 HE2 TYR A 47 0.634 3.014 -0.511 1.00 25.32 H new ATOM 0 HH TYR A 47 0.680 0.604 -0.092 1.00 24.45 H new ATOM 720 N GLU A 48 4.667 5.663 -6.146 1.00 24.14 N ATOM 721 CA GLU A 48 4.154 6.466 -7.241 1.00 22.24 C ATOM 722 C GLU A 48 4.431 5.785 -8.572 1.00 54.31 C ATOM 723 O GLU A 48 3.620 5.842 -9.490 1.00 22.41 O ATOM 724 CB GLU A 48 4.786 7.857 -7.225 1.00 13.13 C ATOM 725 CG GLU A 48 4.290 8.738 -6.091 1.00 10.32 C ATOM 726 CD GLU A 48 5.352 9.698 -5.592 1.00 51.13 C ATOM 727 OE1 GLU A 48 6.050 10.301 -6.434 1.00 52.11 O ATOM 728 OE2 GLU A 48 5.486 9.847 -4.359 1.00 72.33 O ATOM 0 H GLU A 48 5.618 5.897 -5.859 1.00 24.14 H new ATOM 0 HA GLU A 48 3.076 6.569 -7.116 1.00 22.24 H new ATOM 0 HB2 GLU A 48 5.868 7.754 -7.147 1.00 13.13 H new ATOM 0 HB3 GLU A 48 4.580 8.351 -8.174 1.00 13.13 H new ATOM 0 HG2 GLU A 48 3.423 9.305 -6.429 1.00 10.32 H new ATOM 0 HG3 GLU A 48 3.957 8.109 -5.266 1.00 10.32 H new ATOM 735 N GLU A 49 5.580 5.130 -8.659 1.00 54.44 N ATOM 736 CA GLU A 49 5.972 4.428 -9.873 1.00 42.11 C ATOM 737 C GLU A 49 5.288 3.073 -9.946 1.00 51.34 C ATOM 738 O GLU A 49 4.852 2.640 -11.012 1.00 33.31 O ATOM 739 CB GLU A 49 7.491 4.250 -9.919 1.00 61.51 C ATOM 740 CG GLU A 49 8.218 5.388 -10.619 1.00 11.24 C ATOM 741 CD GLU A 49 9.102 4.908 -11.753 1.00 61.31 C ATOM 742 OE1 GLU A 49 8.738 3.908 -12.407 1.00 30.35 O ATOM 743 OE2 GLU A 49 10.158 5.532 -11.988 1.00 22.31 O ATOM 0 H GLU A 49 6.259 5.070 -7.900 1.00 54.44 H new ATOM 0 HA GLU A 49 5.662 5.025 -10.731 1.00 42.11 H new ATOM 0 HB2 GLU A 49 7.869 4.161 -8.900 1.00 61.51 H new ATOM 0 HB3 GLU A 49 7.723 3.314 -10.428 1.00 61.51 H new ATOM 0 HG2 GLU A 49 7.486 6.096 -11.009 1.00 11.24 H new ATOM 0 HG3 GLU A 49 8.827 5.926 -9.892 1.00 11.24 H new ATOM 750 N LEU A 50 5.179 2.416 -8.798 1.00 55.33 N ATOM 751 CA LEU A 50 4.534 1.123 -8.721 1.00 62.33 C ATOM 752 C LEU A 50 3.047 1.316 -8.643 1.00 53.01 C ATOM 753 O LEU A 50 2.273 0.636 -9.305 1.00 72.22 O ATOM 754 CB LEU A 50 5.002 0.385 -7.481 1.00 53.34 C ATOM 755 CG LEU A 50 4.664 -1.107 -7.443 1.00 31.31 C ATOM 756 CD1 LEU A 50 5.724 -1.918 -8.170 1.00 73.44 C ATOM 757 CD2 LEU A 50 4.516 -1.581 -6.007 1.00 32.53 C ATOM 0 H LEU A 50 5.533 2.764 -7.907 1.00 55.33 H new ATOM 0 HA LEU A 50 4.790 0.542 -9.607 1.00 62.33 H new ATOM 0 HB2 LEU A 50 6.083 0.498 -7.397 1.00 53.34 H new ATOM 0 HB3 LEU A 50 4.562 0.863 -6.606 1.00 53.34 H new ATOM 0 HG LEU A 50 3.713 -1.257 -7.955 1.00 31.31 H new ATOM 0 HD11 LEU A 50 5.464 -2.976 -8.130 1.00 73.44 H new ATOM 0 HD12 LEU A 50 5.779 -1.596 -9.210 1.00 73.44 H new ATOM 0 HD13 LEU A 50 6.691 -1.764 -7.692 1.00 73.44 H new ATOM 0 HD21 LEU A 50 4.276 -2.644 -5.998 1.00 32.53 H new ATOM 0 HD22 LEU A 50 5.451 -1.416 -5.471 1.00 32.53 H new ATOM 0 HD23 LEU A 50 3.715 -1.024 -5.521 1.00 32.53 H new ATOM 769 N GLY A 51 2.667 2.259 -7.810 1.00 23.21 N ATOM 770 CA GLY A 51 1.269 2.556 -7.625 1.00 32.42 C ATOM 771 C GLY A 51 0.622 3.086 -8.873 1.00 21.41 C ATOM 772 O GLY A 51 -0.552 2.829 -9.140 1.00 20.22 O ATOM 0 H GLY A 51 3.304 2.829 -7.254 1.00 23.21 H new ATOM 0 HA2 GLY A 51 0.749 1.653 -7.305 1.00 32.42 H new ATOM 0 HA3 GLY A 51 1.159 3.287 -6.824 1.00 32.42 H new ATOM 776 N ALA A 52 1.399 3.815 -9.646 1.00 74.32 N ATOM 777 CA ALA A 52 0.919 4.376 -10.890 1.00 34.41 C ATOM 778 C ALA A 52 0.804 3.268 -11.907 1.00 53.51 C ATOM 779 O ALA A 52 -0.214 3.114 -12.581 1.00 24.53 O ATOM 780 CB ALA A 52 1.862 5.460 -11.368 1.00 21.31 C ATOM 0 H ALA A 52 2.372 4.034 -9.432 1.00 74.32 H new ATOM 0 HA ALA A 52 -0.061 4.830 -10.745 1.00 34.41 H new ATOM 0 HB1 ALA A 52 1.493 5.876 -12.305 1.00 21.31 H new ATOM 0 HB2 ALA A 52 1.920 6.249 -10.618 1.00 21.31 H new ATOM 0 HB3 ALA A 52 2.854 5.036 -11.525 1.00 21.31 H new ATOM 786 N LEU A 53 1.848 2.464 -11.978 1.00 5.04 N ATOM 787 CA LEU A 53 1.860 1.335 -12.881 1.00 63.21 C ATOM 788 C LEU A 53 0.761 0.365 -12.477 1.00 15.14 C ATOM 789 O LEU A 53 0.036 -0.169 -13.316 1.00 42.51 O ATOM 790 CB LEU A 53 3.237 0.669 -12.847 1.00 31.14 C ATOM 791 CG LEU A 53 3.383 -0.556 -11.948 1.00 72.33 C ATOM 792 CD1 LEU A 53 2.829 -1.794 -12.639 1.00 21.32 C ATOM 793 CD2 LEU A 53 4.844 -0.771 -11.583 1.00 32.33 C ATOM 0 H LEU A 53 2.696 2.573 -11.421 1.00 5.04 H new ATOM 0 HA LEU A 53 1.671 1.663 -13.903 1.00 63.21 H new ATOM 0 HB2 LEU A 53 3.500 0.378 -13.864 1.00 31.14 H new ATOM 0 HB3 LEU A 53 3.967 1.413 -12.530 1.00 31.14 H new ATOM 0 HG LEU A 53 2.813 -0.383 -11.035 1.00 72.33 H new ATOM 0 HD11 LEU A 53 2.941 -2.658 -11.983 1.00 21.32 H new ATOM 0 HD12 LEU A 53 1.773 -1.644 -12.863 1.00 21.32 H new ATOM 0 HD13 LEU A 53 3.375 -1.968 -13.566 1.00 21.32 H new ATOM 0 HD21 LEU A 53 4.934 -1.648 -10.942 1.00 32.33 H new ATOM 0 HD22 LEU A 53 5.427 -0.924 -12.491 1.00 32.33 H new ATOM 0 HD23 LEU A 53 5.220 0.105 -11.054 1.00 32.33 H new ATOM 805 N TYR A 54 0.647 0.162 -11.172 1.00 1.54 N ATOM 806 CA TYR A 54 -0.370 -0.730 -10.617 1.00 34.11 C ATOM 807 C TYR A 54 -1.765 -0.126 -10.759 1.00 70.15 C ATOM 808 O TYR A 54 -2.760 -0.848 -10.752 1.00 54.54 O ATOM 809 CB TYR A 54 -0.096 -1.022 -9.135 1.00 11.35 C ATOM 810 CG TYR A 54 0.629 -2.327 -8.880 1.00 31.32 C ATOM 811 CD1 TYR A 54 1.374 -2.941 -9.877 1.00 14.11 C ATOM 812 CD2 TYR A 54 0.570 -2.943 -7.636 1.00 13.35 C ATOM 813 CE1 TYR A 54 2.039 -4.128 -9.646 1.00 11.43 C ATOM 814 CE2 TYR A 54 1.232 -4.132 -7.395 1.00 12.41 C ATOM 815 CZ TYR A 54 1.965 -4.720 -8.403 1.00 43.43 C ATOM 816 OH TYR A 54 2.627 -5.903 -8.168 1.00 74.34 O ATOM 0 H TYR A 54 1.246 0.602 -10.474 1.00 1.54 H new ATOM 0 HA TYR A 54 -0.325 -1.662 -11.180 1.00 34.11 H new ATOM 0 HB2 TYR A 54 0.494 -0.205 -8.719 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -1.045 -1.036 -8.598 1.00 11.35 H new ATOM 0 HD1 TYR A 54 1.435 -2.481 -10.852 1.00 14.11 H new ATOM 0 HD2 TYR A 54 -0.003 -2.485 -6.844 1.00 13.35 H new ATOM 0 HE1 TYR A 54 2.614 -4.591 -10.434 1.00 11.43 H new ATOM 0 HE2 TYR A 54 1.175 -4.598 -6.422 1.00 12.41 H new ATOM 0 HH TYR A 54 2.473 -6.186 -7.242 1.00 74.34 H new ATOM 826 N ALA A 55 -1.835 1.202 -10.862 1.00 21.21 N ATOM 827 CA ALA A 55 -3.121 1.890 -10.980 1.00 3.44 C ATOM 828 C ALA A 55 -3.353 2.477 -12.376 1.00 5.13 C ATOM 829 O ALA A 55 -4.281 3.262 -12.572 1.00 74.31 O ATOM 830 CB ALA A 55 -3.217 2.988 -9.931 1.00 34.11 C ATOM 0 H ALA A 55 -1.023 1.819 -10.866 1.00 21.21 H new ATOM 0 HA ALA A 55 -3.900 1.146 -10.814 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -4.176 3.497 -10.024 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -3.133 2.550 -8.937 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -2.410 3.705 -10.080 1.00 34.11 H new ATOM 836 N LYS A 56 -2.516 2.108 -13.344 1.00 4.24 N ATOM 837 CA LYS A 56 -2.658 2.622 -14.705 1.00 4.42 C ATOM 838 C LYS A 56 -2.323 1.558 -15.750 1.00 44.15 C ATOM 839 O LYS A 56 -3.039 1.401 -16.739 1.00 51.42 O ATOM 840 CB LYS A 56 -1.758 3.843 -14.906 1.00 22.22 C ATOM 841 CG LYS A 56 -2.469 5.021 -15.550 1.00 10.21 C ATOM 842 CD LYS A 56 -2.693 6.151 -14.557 1.00 4.24 C ATOM 843 CE LYS A 56 -1.377 6.694 -14.023 1.00 65.32 C ATOM 844 NZ LYS A 56 -1.033 8.010 -14.630 1.00 32.21 N ATOM 0 H LYS A 56 -1.739 1.461 -13.213 1.00 4.24 H new ATOM 0 HA LYS A 56 -3.701 2.910 -14.839 1.00 4.42 H new ATOM 0 HB2 LYS A 56 -1.359 4.153 -13.940 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -0.907 3.559 -15.526 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -1.880 5.387 -16.391 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -3.428 4.693 -15.951 1.00 10.21 H new ATOM 0 HD2 LYS A 56 -3.250 6.954 -15.038 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -3.303 5.792 -13.728 1.00 4.24 H new ATOM 0 HE2 LYS A 56 -1.440 6.799 -12.940 1.00 65.32 H new ATOM 0 HE3 LYS A 56 -0.579 5.980 -14.228 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 -0.129 8.347 -14.240 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -0.948 7.905 -15.661 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -1.781 8.699 -14.413 1.00 32.21 H new ATOM 858 N SER A 57 -1.227 0.841 -15.530 1.00 21.53 N ATOM 859 CA SER A 57 -0.790 -0.200 -16.457 1.00 44.53 C ATOM 860 C SER A 57 -1.855 -1.288 -16.608 1.00 60.45 C ATOM 861 O SER A 57 -3.045 -1.031 -16.427 1.00 54.40 O ATOM 862 CB SER A 57 0.528 -0.809 -15.974 1.00 10.34 C ATOM 863 OG SER A 57 1.414 0.193 -15.510 1.00 42.20 O ATOM 0 H SER A 57 -0.623 0.961 -14.717 1.00 21.53 H new ATOM 0 HA SER A 57 -0.636 0.256 -17.435 1.00 44.53 H new ATOM 0 HB2 SER A 57 0.331 -1.523 -15.174 1.00 10.34 H new ATOM 0 HB3 SER A 57 0.996 -1.363 -16.788 1.00 10.34 H new ATOM 0 HG SER A 57 2.339 -0.095 -15.657 1.00 42.20 H new ATOM 869 N GLU A 58 -1.423 -2.506 -16.940 1.00 55.23 N ATOM 870 CA GLU A 58 -2.344 -3.625 -17.112 1.00 22.24 C ATOM 871 C GLU A 58 -2.772 -4.210 -15.765 1.00 31.15 C ATOM 872 O GLU A 58 -3.322 -5.309 -15.705 1.00 31.23 O ATOM 873 CB GLU A 58 -1.695 -4.715 -17.967 1.00 12.33 C ATOM 874 CG GLU A 58 -1.046 -4.186 -19.235 1.00 25.21 C ATOM 875 CD GLU A 58 -1.873 -4.464 -20.474 1.00 5.30 C ATOM 876 OE1 GLU A 58 -1.757 -5.578 -21.027 1.00 24.30 O ATOM 877 OE2 GLU A 58 -2.638 -3.569 -20.891 1.00 25.24 O ATOM 0 H GLU A 58 -0.442 -2.740 -17.094 1.00 55.23 H new ATOM 0 HA GLU A 58 -3.234 -3.248 -17.616 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -0.942 -5.232 -17.372 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -2.451 -5.453 -18.236 1.00 12.33 H new ATOM 0 HG2 GLU A 58 -0.893 -3.111 -19.139 1.00 25.21 H new ATOM 0 HG3 GLU A 58 -0.061 -4.639 -19.351 1.00 25.21 H new ATOM 884 N PHE A 59 -2.532 -3.465 -14.688 1.00 74.45 N ATOM 885 CA PHE A 59 -2.907 -3.906 -13.351 1.00 21.52 C ATOM 886 C PHE A 59 -3.686 -2.808 -12.633 1.00 53.04 C ATOM 887 O PHE A 59 -3.960 -2.906 -11.437 1.00 13.31 O ATOM 888 CB PHE A 59 -1.668 -4.283 -12.533 1.00 12.03 C ATOM 889 CG PHE A 59 -0.540 -4.839 -13.358 1.00 35.24 C ATOM 890 CD1 PHE A 59 0.407 -3.996 -13.917 1.00 63.25 C ATOM 891 CD2 PHE A 59 -0.429 -6.203 -13.572 1.00 22.34 C ATOM 892 CE1 PHE A 59 1.444 -4.505 -14.676 1.00 73.00 C ATOM 893 CE2 PHE A 59 0.607 -6.717 -14.329 1.00 44.50 C ATOM 894 CZ PHE A 59 1.545 -5.867 -14.882 1.00 33.14 C ATOM 0 H PHE A 59 -2.079 -2.552 -14.718 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.539 -4.789 -13.450 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -1.314 -3.401 -11.999 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -1.952 -5.018 -11.780 1.00 12.03 H new ATOM 0 HD1 PHE A 59 0.334 -2.930 -13.758 1.00 63.25 H new ATOM 0 HD2 PHE A 59 -1.160 -6.872 -13.143 1.00 22.34 H new ATOM 0 HE1 PHE A 59 2.175 -3.838 -15.108 1.00 73.00 H new ATOM 0 HE2 PHE A 59 0.683 -7.783 -14.488 1.00 44.50 H new ATOM 0 HZ PHE A 59 2.355 -6.266 -15.474 1.00 33.14 H new ATOM 904 N LYS A 60 -4.046 -1.765 -13.379 1.00 35.11 N ATOM 905 CA LYS A 60 -4.799 -0.647 -12.830 1.00 12.50 C ATOM 906 C LYS A 60 -6.090 -1.131 -12.173 1.00 53.32 C ATOM 907 O LYS A 60 -6.655 -0.452 -11.316 1.00 1.45 O ATOM 908 CB LYS A 60 -5.104 0.359 -13.936 1.00 4.42 C ATOM 909 CG LYS A 60 -5.959 -0.214 -15.049 1.00 41.52 C ATOM 910 CD LYS A 60 -6.824 0.854 -15.699 1.00 11.45 C ATOM 911 CE LYS A 60 -6.861 0.698 -17.210 1.00 63.33 C ATOM 912 NZ LYS A 60 -5.923 1.634 -17.889 1.00 32.12 N ATOM 0 H LYS A 60 -3.825 -1.674 -14.371 1.00 35.11 H new ATOM 0 HA LYS A 60 -4.196 -0.161 -12.063 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -5.613 1.221 -13.504 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -4.166 0.721 -14.357 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -5.317 -0.671 -15.802 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -6.595 -1.004 -14.650 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -7.837 0.795 -15.301 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -6.438 1.841 -15.444 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -6.605 -0.328 -17.475 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -7.875 0.877 -17.568 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -5.890 1.416 -18.905 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -6.251 2.612 -17.755 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -4.972 1.529 -17.482 1.00 32.12 H new ATOM 926 N ASP A 61 -6.537 -2.322 -12.565 1.00 63.52 N ATOM 927 CA ASP A 61 -7.742 -2.916 -12.000 1.00 24.02 C ATOM 928 C ASP A 61 -7.387 -4.219 -11.292 1.00 52.43 C ATOM 929 O ASP A 61 -8.239 -5.083 -11.079 1.00 2.45 O ATOM 930 CB ASP A 61 -8.776 -3.177 -13.098 1.00 61.12 C ATOM 931 CG ASP A 61 -10.200 -3.075 -12.586 1.00 13.52 C ATOM 932 OD1 ASP A 61 -10.430 -2.322 -11.617 1.00 23.44 O ATOM 933 OD2 ASP A 61 -11.085 -3.748 -13.156 1.00 30.32 O ATOM 0 H ASP A 61 -6.080 -2.895 -13.274 1.00 63.52 H new ATOM 0 HA ASP A 61 -8.174 -2.222 -11.279 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -8.631 -2.461 -13.907 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -8.614 -4.170 -13.518 1.00 61.12 H new ATOM 938 N ARG A 62 -6.111 -4.347 -10.941 1.00 74.15 N ATOM 939 CA ARG A 62 -5.600 -5.528 -10.267 1.00 30.21 C ATOM 940 C ARG A 62 -4.974 -5.138 -8.929 1.00 43.41 C ATOM 941 O ARG A 62 -5.425 -4.192 -8.284 1.00 13.43 O ATOM 942 CB ARG A 62 -4.571 -6.220 -11.163 1.00 63.22 C ATOM 943 CG ARG A 62 -4.601 -7.734 -11.063 1.00 63.51 C ATOM 944 CD ARG A 62 -4.583 -8.387 -12.437 1.00 55.34 C ATOM 945 NE ARG A 62 -5.901 -8.888 -12.820 1.00 33.12 N ATOM 946 CZ ARG A 62 -6.251 -9.171 -14.073 1.00 32.42 C ATOM 947 NH1 ARG A 62 -5.386 -9.006 -15.065 1.00 51.31 N ATOM 948 NH2 ARG A 62 -7.471 -9.622 -14.334 1.00 30.32 N ATOM 0 H ARG A 62 -5.405 -3.633 -11.118 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.420 -6.219 -10.072 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.748 -5.929 -12.198 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.575 -5.866 -10.899 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -3.743 -8.078 -10.485 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.495 -8.046 -10.523 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -4.240 -7.665 -13.178 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -3.868 -9.209 -12.439 1.00 55.34 H new ATOM 0 HE ARG A 62 -6.593 -9.029 -12.084 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -4.446 -8.660 -14.870 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -5.661 -9.225 -16.023 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -8.140 -9.752 -13.575 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -7.740 -9.839 -15.294 1.00 30.32 H new ATOM 962 N VAL A 63 -3.931 -5.857 -8.515 1.00 5.03 N ATOM 963 CA VAL A 63 -3.256 -5.557 -7.256 1.00 24.54 C ATOM 964 C VAL A 63 -2.943 -4.065 -7.169 1.00 43.11 C ATOM 965 O VAL A 63 -2.069 -3.560 -7.872 1.00 13.12 O ATOM 966 CB VAL A 63 -1.948 -6.367 -7.114 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.155 -6.331 -8.410 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.104 -5.853 -5.953 1.00 23.12 C ATOM 0 H VAL A 63 -3.539 -6.645 -9.030 1.00 5.03 H new ATOM 0 HA VAL A 63 -3.926 -5.838 -6.444 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.215 -7.402 -6.900 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.237 -6.907 -8.291 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.752 -6.762 -9.214 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -0.906 -5.299 -8.656 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.190 -6.443 -5.878 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -0.848 -4.807 -6.124 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -1.669 -5.941 -5.025 1.00 23.12 H new ATOM 978 N VAL A 64 -3.682 -3.365 -6.318 1.00 64.12 N ATOM 979 CA VAL A 64 -3.502 -1.929 -6.158 1.00 33.20 C ATOM 980 C VAL A 64 -2.591 -1.592 -4.983 1.00 54.35 C ATOM 981 O VAL A 64 -2.553 -2.302 -3.978 1.00 2.41 O ATOM 982 CB VAL A 64 -4.856 -1.221 -5.957 1.00 61.33 C ATOM 983 CG1 VAL A 64 -4.663 0.281 -5.809 1.00 71.13 C ATOM 984 CG2 VAL A 64 -5.798 -1.535 -7.108 1.00 23.14 C ATOM 0 H VAL A 64 -4.411 -3.768 -5.729 1.00 64.12 H new ATOM 0 HA VAL A 64 -3.033 -1.574 -7.076 1.00 33.20 H new ATOM 0 HB VAL A 64 -5.305 -1.595 -5.037 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -5.632 0.760 -5.668 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -4.029 0.483 -4.945 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -4.189 0.677 -6.707 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -6.749 -1.027 -6.949 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -5.356 -1.193 -8.044 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -5.966 -2.611 -7.158 1.00 23.14 H new ATOM 994 N ILE A 65 -1.877 -0.481 -5.120 1.00 53.13 N ATOM 995 CA ILE A 65 -0.979 -0.005 -4.079 1.00 64.23 C ATOM 996 C ILE A 65 -1.700 1.029 -3.223 1.00 64.25 C ATOM 997 O ILE A 65 -2.059 2.100 -3.709 1.00 74.41 O ATOM 998 CB ILE A 65 0.295 0.620 -4.690 1.00 34.00 C ATOM 999 CG1 ILE A 65 1.011 -0.398 -5.580 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.234 1.127 -3.604 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.300 -1.712 -4.886 1.00 24.43 C ATOM 0 H ILE A 65 -1.905 0.111 -5.950 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.681 -0.853 -3.463 1.00 64.23 H new ATOM 0 HB ILE A 65 -0.006 1.472 -5.300 1.00 34.00 H new ATOM 0 HG12 ILE A 65 0.401 -0.589 -6.463 1.00 43.52 H new ATOM 0 HG13 ILE A 65 1.949 0.033 -5.929 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.122 1.561 -4.064 1.00 13.14 H new ATOM 0 HG22 ILE A 65 0.726 1.886 -3.009 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.528 0.298 -2.961 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.808 -2.384 -5.577 1.00 24.43 H new ATOM 0 HD12 ILE A 65 1.936 -1.533 -4.019 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.364 -2.166 -4.561 1.00 24.43 H new ATOM 1013 N ALA A 66 -1.938 0.697 -1.958 1.00 64.35 N ATOM 1014 CA ALA A 66 -2.648 1.604 -1.061 1.00 14.51 C ATOM 1015 C ALA A 66 -1.771 2.085 0.091 1.00 73.12 C ATOM 1016 O ALA A 66 -0.724 1.503 0.384 1.00 3.24 O ATOM 1017 CB ALA A 66 -3.900 0.931 -0.524 1.00 0.23 C ATOM 0 H ALA A 66 -1.653 -0.185 -1.533 1.00 64.35 H new ATOM 0 HA ALA A 66 -2.927 2.484 -1.641 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.423 1.615 0.144 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.554 0.664 -1.354 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.623 0.030 0.024 1.00 0.23 H new ATOM 1023 N LYS A 67 -2.218 3.151 0.750 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.492 3.717 1.879 1.00 52.23 C ATOM 1025 C LYS A 67 -2.435 4.481 2.796 1.00 31.31 C ATOM 1026 O LYS A 67 -3.560 4.805 2.418 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.370 4.642 1.398 1.00 44.25 C ATOM 1028 CG LYS A 67 -0.768 5.541 0.240 1.00 70.43 C ATOM 1029 CD LYS A 67 0.435 6.271 -0.336 1.00 21.32 C ATOM 1030 CE LYS A 67 0.726 7.555 0.423 1.00 75.00 C ATOM 1031 NZ LYS A 67 1.726 8.403 -0.283 1.00 23.24 N ATOM 0 H LYS A 67 -3.083 3.640 0.519 1.00 1.20 H new ATOM 0 HA LYS A 67 -1.049 2.893 2.438 1.00 52.23 H new ATOM 0 HB2 LYS A 67 -0.042 5.263 2.231 1.00 44.25 H new ATOM 0 HB3 LYS A 67 0.484 4.035 1.097 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -1.241 4.944 -0.540 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -1.508 6.267 0.578 1.00 70.43 H new ATOM 0 HD2 LYS A 67 1.308 5.620 -0.299 1.00 21.32 H new ATOM 0 HD3 LYS A 67 0.253 6.501 -1.386 1.00 21.32 H new ATOM 0 HE2 LYS A 67 -0.199 8.117 0.554 1.00 75.00 H new ATOM 0 HE3 LYS A 67 1.095 7.312 1.419 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 1.897 9.269 0.267 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 2.617 7.877 -0.386 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 1.363 8.657 -1.224 1.00 23.24 H new ATOM 1045 N VAL A 68 -1.969 4.761 4.004 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.770 5.482 4.980 1.00 72.45 C ATOM 1047 C VAL A 68 -1.885 6.314 5.899 1.00 32.14 C ATOM 1048 O VAL A 68 -0.736 5.959 6.159 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.610 4.514 5.832 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -2.702 3.601 6.642 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.555 5.279 6.746 1.00 51.14 C ATOM 0 H VAL A 68 -1.039 4.499 4.331 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.438 6.142 4.426 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.212 3.900 5.162 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.309 2.921 7.240 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.070 3.024 5.967 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.075 4.202 7.300 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.138 4.574 7.338 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -3.978 5.921 7.411 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.227 5.891 6.144 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.430 7.415 6.393 1.00 50.51 N ATOM 1062 CA ASP A 69 -1.690 8.290 7.290 1.00 43.22 C ATOM 1063 C ASP A 69 -1.844 7.823 8.733 1.00 5.23 C ATOM 1064 O ASP A 69 -2.866 8.073 9.373 1.00 5.32 O ATOM 1065 CB ASP A 69 -2.174 9.733 7.146 1.00 32.22 C ATOM 1066 CG ASP A 69 -1.027 10.724 7.101 1.00 4.11 C ATOM 1067 OD1 ASP A 69 -0.137 10.641 7.973 1.00 42.00 O ATOM 1068 OD2 ASP A 69 -1.020 11.582 6.194 1.00 53.31 O ATOM 0 H ASP A 69 -3.380 7.724 6.189 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.635 8.249 7.021 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.767 9.826 6.236 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -2.831 9.978 7.981 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.822 7.139 9.236 1.00 52.42 N ATOM 1074 CA ALA A 70 -0.838 6.626 10.603 1.00 24.21 C ATOM 1075 C ALA A 70 -0.845 7.754 11.631 1.00 22.35 C ATOM 1076 O ALA A 70 -1.058 7.520 12.821 1.00 53.45 O ATOM 1077 CB ALA A 70 0.361 5.721 10.833 1.00 61.12 C ATOM 0 H ALA A 70 0.030 6.926 8.717 1.00 52.42 H new ATOM 0 HA ALA A 70 -1.757 6.054 10.732 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.341 5.343 11.855 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.324 4.884 10.136 1.00 61.12 H new ATOM 0 HB3 ALA A 70 1.279 6.286 10.673 1.00 61.12 H new ATOM 1083 N THR A 71 -0.602 8.974 11.169 1.00 42.24 N ATOM 1084 CA THR A 71 -0.569 10.136 12.051 1.00 3.43 C ATOM 1085 C THR A 71 -1.716 11.098 11.757 1.00 33.43 C ATOM 1086 O THR A 71 -1.945 12.049 12.504 1.00 51.01 O ATOM 1087 CB THR A 71 0.762 10.861 11.892 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.791 12.043 12.673 1.00 70.43 O ATOM 1089 CG2 THR A 71 1.061 11.245 10.460 1.00 30.12 C ATOM 0 H THR A 71 -0.424 9.186 10.187 1.00 42.24 H new ATOM 0 HA THR A 71 -0.682 9.783 13.076 1.00 3.43 H new ATOM 0 HB THR A 71 1.519 10.153 12.229 1.00 25.35 H new ATOM 0 HG1 THR A 71 -0.125 12.350 12.835 1.00 70.43 H new ATOM 0 HG21 THR A 71 2.022 11.758 10.414 1.00 30.12 H new ATOM 0 HG22 THR A 71 1.099 10.347 9.843 1.00 30.12 H new ATOM 0 HG23 THR A 71 0.278 11.907 10.090 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.431 10.850 10.667 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.548 11.697 10.280 1.00 75.21 C ATOM 1099 C ALA A 72 -4.868 10.943 10.373 1.00 45.34 C ATOM 1100 O ALA A 72 -5.941 11.547 10.379 1.00 45.33 O ATOM 1101 CB ALA A 72 -3.338 12.227 8.870 1.00 51.24 C ATOM 0 H ALA A 72 -2.256 10.068 10.036 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.594 12.538 10.972 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -4.180 12.860 8.590 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -2.418 12.810 8.834 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -3.265 11.391 8.174 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.783 9.619 10.439 1.00 1.30 N ATOM 1108 CA ASN A 73 -5.969 8.783 10.524 1.00 2.25 C ATOM 1109 C ASN A 73 -5.820 7.728 11.615 1.00 71.03 C ATOM 1110 O ASN A 73 -4.852 6.967 11.628 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.223 8.109 9.178 1.00 15.54 C ATOM 1112 CG ASN A 73 -6.167 9.089 8.023 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -7.137 9.793 7.743 1.00 72.24 O ATOM 1114 ND2 ASN A 73 -5.026 9.139 7.347 1.00 11.11 N ATOM 0 H ASN A 73 -3.903 9.103 10.435 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.818 9.417 10.779 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -5.483 7.324 9.022 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.200 7.626 9.195 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -4.927 9.780 6.560 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -4.248 8.537 7.615 1.00 11.11 H new ATOM 1121 N ASP A 74 -6.786 7.685 12.526 1.00 10.14 N ATOM 1122 CA ASP A 74 -6.764 6.719 13.618 1.00 32.42 C ATOM 1123 C ASP A 74 -7.106 5.324 13.108 1.00 31.33 C ATOM 1124 O ASP A 74 -8.276 4.991 12.919 1.00 44.21 O ATOM 1125 CB ASP A 74 -7.750 7.132 14.712 1.00 3.14 C ATOM 1126 CG ASP A 74 -7.288 8.359 15.474 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -6.085 8.435 15.802 1.00 34.45 O ATOM 1128 OD2 ASP A 74 -8.128 9.242 15.743 1.00 5.34 O ATOM 0 H ASP A 74 -7.594 8.308 12.530 1.00 10.14 H new ATOM 0 HA ASP A 74 -5.758 6.699 14.037 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -8.723 7.331 14.264 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -7.883 6.304 15.408 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.079 4.511 12.883 1.00 53.50 N ATOM 1134 CA VAL A 75 -6.274 3.154 12.391 1.00 63.22 C ATOM 1135 C VAL A 75 -6.788 2.233 13.496 1.00 35.25 C ATOM 1136 O VAL A 75 -6.490 2.436 14.673 1.00 64.10 O ATOM 1137 CB VAL A 75 -4.969 2.573 11.808 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -4.456 3.449 10.675 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -3.911 2.419 12.893 1.00 12.01 C ATOM 0 H VAL A 75 -5.104 4.769 13.034 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.020 3.209 11.598 1.00 63.22 H new ATOM 0 HB VAL A 75 -5.185 1.583 11.406 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -3.535 3.025 10.275 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -5.206 3.498 9.885 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -4.259 4.453 11.052 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.000 2.008 12.457 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -3.695 3.393 13.332 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.279 1.746 13.667 1.00 12.01 H new ATOM 1149 N PRO A 76 -7.572 1.205 13.128 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.130 0.252 14.093 1.00 75.42 C ATOM 1151 C PRO A 76 -7.075 -0.697 14.654 1.00 43.21 C ATOM 1152 O PRO A 76 -7.278 -1.315 15.699 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.159 -0.522 13.268 1.00 73.42 C ATOM 1154 CG PRO A 76 -8.656 -0.444 11.869 1.00 11.44 C ATOM 1155 CD PRO A 76 -7.977 0.893 11.744 1.00 24.22 C ATOM 0 HA PRO A 76 -8.549 0.754 14.965 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -9.239 -1.556 13.603 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.152 -0.080 13.357 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -7.960 -1.256 11.659 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -9.475 -0.534 11.155 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -7.117 0.846 11.075 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -8.651 1.650 11.343 1.00 24.22 H new ATOM 1163 N ASP A 77 -5.948 -0.810 13.956 1.00 62.52 N ATOM 1164 CA ASP A 77 -4.868 -1.685 14.390 1.00 21.44 C ATOM 1165 C ASP A 77 -3.773 -0.891 15.094 1.00 3.52 C ATOM 1166 O ASP A 77 -3.163 0.001 14.505 1.00 0.40 O ATOM 1167 CB ASP A 77 -4.283 -2.440 13.195 1.00 64.14 C ATOM 1168 CG ASP A 77 -4.168 -3.930 13.451 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -5.172 -4.645 13.253 1.00 20.50 O ATOM 1170 OD2 ASP A 77 -3.074 -4.381 13.850 1.00 31.34 O ATOM 0 H ASP A 77 -5.761 -0.306 13.089 1.00 62.52 H new ATOM 0 HA ASP A 77 -5.279 -2.405 15.098 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -4.911 -2.272 12.320 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -3.297 -2.037 12.962 1.00 64.14 H new ATOM 1253 N PRO A 83 6.271 3.583 10.531 1.00 3.04 N ATOM 1254 CA PRO A 83 5.169 3.125 9.679 1.00 54.24 C ATOM 1255 C PRO A 83 5.078 1.609 9.576 1.00 11.33 C ATOM 1256 O PRO A 83 5.717 0.881 10.336 1.00 42.02 O ATOM 1257 CB PRO A 83 5.481 3.720 8.312 1.00 3.23 C ATOM 1258 CG PRO A 83 6.940 4.033 8.320 1.00 1.32 C ATOM 1259 CD PRO A 83 7.359 4.200 9.756 1.00 54.44 C ATOM 0 HA PRO A 83 4.209 3.439 10.090 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.238 3.016 7.516 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.891 4.619 8.134 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.507 3.232 7.846 1.00 1.32 H new ATOM 0 HG3 PRO A 83 7.140 4.943 7.754 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.313 3.710 9.951 1.00 54.44 H new ATOM 0 HD3 PRO A 83 7.483 5.252 10.014 1.00 54.44 H new ATOM 1267 N THR A 84 4.266 1.140 8.632 1.00 2.41 N ATOM 1268 CA THR A 84 4.079 -0.297 8.441 1.00 41.24 C ATOM 1269 C THR A 84 3.530 -0.605 7.049 1.00 32.43 C ATOM 1270 O THR A 84 2.901 0.240 6.423 1.00 60.21 O ATOM 1271 CB THR A 84 3.128 -0.837 9.517 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.651 -0.596 10.810 1.00 22.31 O ATOM 1273 CG2 THR A 84 2.851 -2.324 9.409 1.00 53.53 C ATOM 0 H THR A 84 3.731 1.727 7.992 1.00 2.41 H new ATOM 0 HA THR A 84 5.049 -0.786 8.531 1.00 41.24 H new ATOM 0 HB THR A 84 2.191 -0.305 9.353 1.00 10.10 H new ATOM 0 HG1 THR A 84 4.606 -0.388 10.743 1.00 22.31 H new ATOM 0 HG21 THR A 84 2.171 -2.626 10.205 1.00 53.53 H new ATOM 0 HG22 THR A 84 2.397 -2.540 8.442 1.00 53.53 H new ATOM 0 HG23 THR A 84 3.786 -2.876 9.502 1.00 53.53 H new ATOM 1281 N ILE A 85 3.762 -1.826 6.576 1.00 60.42 N ATOM 1282 CA ILE A 85 3.274 -2.242 5.269 1.00 22.33 C ATOM 1283 C ILE A 85 2.495 -3.546 5.370 1.00 73.34 C ATOM 1284 O ILE A 85 3.060 -4.634 5.354 1.00 71.15 O ATOM 1285 CB ILE A 85 4.409 -2.409 4.246 1.00 41.20 C ATOM 1286 CG1 ILE A 85 5.289 -1.152 4.229 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.819 -2.696 2.870 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.903 -0.843 2.880 1.00 54.43 C ATOM 0 H ILE A 85 4.285 -2.543 7.079 1.00 60.42 H new ATOM 0 HA ILE A 85 2.616 -1.446 4.919 1.00 22.33 H new ATOM 0 HB ILE A 85 5.039 -3.253 4.529 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.690 -0.299 4.547 1.00 4.04 H new ATOM 0 HG13 ILE A 85 6.088 -1.271 4.961 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.625 -2.814 2.146 1.00 44.35 H new ATOM 0 HG22 ILE A 85 3.230 -3.613 2.910 1.00 44.35 H new ATOM 0 HG23 ILE A 85 3.179 -1.867 2.568 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.509 0.060 2.954 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.531 -1.677 2.566 1.00 54.43 H new ATOM 0 HD13 ILE A 85 5.111 -0.689 2.147 1.00 54.43 H new ATOM 1300 N LYS A 86 1.189 -3.411 5.470 1.00 3.11 N ATOM 1301 CA LYS A 86 0.290 -4.556 5.576 1.00 60.53 C ATOM 1302 C LYS A 86 -0.329 -4.887 4.224 1.00 52.11 C ATOM 1303 O LYS A 86 -0.896 -4.019 3.560 1.00 22.13 O ATOM 1304 CB LYS A 86 -0.814 -4.272 6.597 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.449 -4.674 8.017 1.00 12.03 C ATOM 1306 CD LYS A 86 -1.600 -4.427 8.980 1.00 13.41 C ATOM 1307 CE LYS A 86 -1.098 -3.996 10.348 1.00 71.15 C ATOM 1308 NZ LYS A 86 -2.104 -4.251 11.416 1.00 24.02 N ATOM 0 H LYS A 86 0.715 -2.508 5.481 1.00 3.11 H new ATOM 0 HA LYS A 86 0.873 -5.414 5.910 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.049 -3.208 6.579 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -1.718 -4.803 6.299 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -0.175 -5.729 8.039 1.00 12.03 H new ATOM 0 HG3 LYS A 86 0.426 -4.111 8.342 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -2.257 -3.658 8.574 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -2.195 -5.335 9.079 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -0.177 -4.531 10.582 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -0.853 -2.934 10.326 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -1.729 -3.927 12.330 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -2.980 -3.734 11.198 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -2.307 -5.270 11.466 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.205 -6.143 3.816 1.00 25.44 N ATOM 1323 CA LEU A 87 -0.741 -6.585 2.533 1.00 13.34 C ATOM 1324 C LEU A 87 -2.050 -7.351 2.706 1.00 25.24 C ATOM 1325 O LEU A 87 -2.048 -8.505 3.136 1.00 31.53 O ATOM 1326 CB LEU A 87 0.289 -7.472 1.832 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.087 -7.979 0.428 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.003 -9.187 0.530 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.748 -6.877 -0.386 1.00 30.13 C ATOM 0 H LEU A 87 0.261 -6.874 4.353 1.00 25.44 H new ATOM 0 HA LEU A 87 -0.949 -5.703 1.928 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.223 -6.916 1.756 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.484 -8.337 2.467 1.00 63.02 H new ATOM 0 HG LEU A 87 0.828 -8.277 -0.084 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.260 -9.534 -0.471 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.494 -9.985 1.071 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -1.913 -8.910 1.063 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -1.005 -7.259 -1.374 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.654 -6.544 0.121 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.060 -6.038 -0.489 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.162 -6.712 2.348 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.472 -7.350 2.441 1.00 20.25 C ATOM 1343 C TYR A 88 -4.843 -7.966 1.094 1.00 64.41 C ATOM 1344 O TYR A 88 -5.379 -7.283 0.222 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.556 -6.347 2.847 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.657 -6.093 4.333 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.706 -5.328 4.995 1.00 73.15 C ATOM 1348 CD2 TYR A 88 -6.714 -6.607 5.070 1.00 30.13 C ATOM 1349 CE1 TYR A 88 -4.805 -5.086 6.352 1.00 54.40 C ATOM 1350 CE2 TYR A 88 -6.823 -6.370 6.425 1.00 35.44 C ATOM 1351 CZ TYR A 88 -5.868 -5.609 7.063 1.00 1.22 C ATOM 1352 OH TYR A 88 -5.973 -5.377 8.415 1.00 3.10 O ATOM 0 H TYR A 88 -3.182 -5.756 1.992 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.412 -8.124 3.206 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.363 -5.400 2.343 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.519 -6.709 2.488 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.876 -4.916 4.441 1.00 73.15 H new ATOM 0 HD2 TYR A 88 -7.465 -7.204 4.574 1.00 30.13 H new ATOM 0 HE1 TYR A 88 -4.056 -4.492 6.854 1.00 54.40 H new ATOM 0 HE2 TYR A 88 -7.653 -6.779 6.983 1.00 35.44 H new ATOM 0 HH TYR A 88 -5.910 -4.414 8.588 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.563 -9.263 0.900 1.00 54.33 N ATOM 1363 CA PRO A 89 -4.866 -9.965 -0.344 1.00 44.12 C ATOM 1364 C PRO A 89 -6.303 -9.786 -0.769 1.00 5.24 C ATOM 1365 O PRO A 89 -7.119 -9.220 -0.043 1.00 54.43 O ATOM 1366 CB PRO A 89 -4.629 -11.444 0.002 1.00 1.30 C ATOM 1367 CG PRO A 89 -4.525 -11.481 1.485 1.00 52.43 C ATOM 1368 CD PRO A 89 -3.935 -10.164 1.864 1.00 64.41 C ATOM 0 HA PRO A 89 -4.256 -9.590 -1.166 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.449 -12.068 -0.352 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -3.719 -11.818 -0.467 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -5.503 -11.623 1.946 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -3.894 -12.306 1.816 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.172 -9.891 2.892 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -2.849 -10.163 1.776 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.613 -10.319 -1.931 1.00 0.43 N ATOM 1377 CA ALA A 90 -7.966 -10.272 -2.436 1.00 75.24 C ATOM 1378 C ALA A 90 -8.598 -11.629 -2.223 1.00 45.22 C ATOM 1379 O ALA A 90 -9.124 -12.253 -3.144 1.00 1.13 O ATOM 1380 CB ALA A 90 -7.992 -9.867 -3.903 1.00 33.05 C ATOM 0 H ALA A 90 -5.946 -10.789 -2.543 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.537 -9.516 -1.897 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.023 -9.840 -4.255 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.544 -8.880 -4.016 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.427 -10.591 -4.490 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.522 -12.071 -0.978 1.00 72.10 N ATOM 1387 CA GLY A 91 -9.067 -13.356 -0.602 1.00 72.44 C ATOM 1388 C GLY A 91 -8.945 -13.602 0.883 1.00 51.35 C ATOM 1389 O GLY A 91 -9.761 -14.313 1.469 1.00 44.12 O ATOM 0 H GLY A 91 -8.087 -11.555 -0.213 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -10.116 -13.406 -0.894 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -8.547 -14.145 -1.145 1.00 72.44 H new ATOM 1393 N ALA A 92 -7.926 -13.008 1.502 1.00 43.32 N ATOM 1394 CA ALA A 92 -7.724 -13.175 2.936 1.00 72.41 C ATOM 1395 C ALA A 92 -8.201 -11.947 3.705 1.00 74.42 C ATOM 1396 O ALA A 92 -9.306 -11.936 4.249 1.00 70.33 O ATOM 1397 CB ALA A 92 -6.262 -13.478 3.243 1.00 31.53 C ATOM 0 H ALA A 92 -7.237 -12.415 1.039 1.00 43.32 H new ATOM 0 HA ALA A 92 -8.323 -14.025 3.264 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -6.134 -13.599 4.319 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -5.967 -14.397 2.737 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -5.639 -12.655 2.893 1.00 31.53 H new ATOM 1403 N LYS A 93 -7.365 -10.919 3.749 1.00 63.44 N ATOM 1404 CA LYS A 93 -7.699 -9.687 4.455 1.00 62.03 C ATOM 1405 C LYS A 93 -7.923 -9.951 5.948 1.00 52.40 C ATOM 1406 O LYS A 93 -8.403 -9.079 6.673 1.00 73.44 O ATOM 1407 CB LYS A 93 -8.954 -9.059 3.849 1.00 51.10 C ATOM 1408 CG LYS A 93 -8.796 -8.673 2.388 1.00 74.33 C ATOM 1409 CD LYS A 93 -10.101 -8.836 1.625 1.00 31.12 C ATOM 1410 CE LYS A 93 -10.547 -10.289 1.582 1.00 50.44 C ATOM 1411 NZ LYS A 93 -11.943 -10.456 2.073 1.00 73.13 N ATOM 0 H LYS A 93 -6.448 -10.913 3.303 1.00 63.44 H new ATOM 0 HA LYS A 93 -6.861 -8.999 4.349 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -9.783 -9.760 3.943 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -9.220 -8.172 4.424 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -8.459 -7.639 2.318 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -8.025 -9.291 1.928 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -10.876 -8.231 2.095 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -9.978 -8.462 0.608 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -10.475 -10.661 0.560 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -9.874 -10.894 2.190 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -12.316 -11.373 1.754 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -11.952 -10.421 3.112 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -12.537 -9.690 1.696 1.00 73.13 H new ATOM 1425 N GLY A 94 -7.574 -11.156 6.402 1.00 31.24 N ATOM 1426 CA GLY A 94 -7.743 -11.508 7.801 1.00 21.30 C ATOM 1427 C GLY A 94 -6.415 -11.639 8.517 1.00 43.25 C ATOM 1428 O GLY A 94 -6.340 -11.499 9.738 1.00 34.03 O ATOM 0 H GLY A 94 -7.176 -11.895 5.822 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -8.348 -10.748 8.296 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -8.289 -12.448 7.875 1.00 21.30 H new ATOM 1432 N GLN A 95 -5.361 -11.882 7.746 1.00 30.14 N ATOM 1433 CA GLN A 95 -4.021 -12.003 8.288 1.00 32.12 C ATOM 1434 C GLN A 95 -3.025 -11.412 7.301 1.00 35.41 C ATOM 1435 O GLN A 95 -2.099 -12.083 6.844 1.00 1.14 O ATOM 1436 CB GLN A 95 -3.673 -13.462 8.577 1.00 22.32 C ATOM 1437 CG GLN A 95 -2.256 -13.640 9.093 1.00 60.44 C ATOM 1438 CD GLN A 95 -2.181 -14.557 10.298 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -3.171 -14.760 11.000 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -1.002 -15.116 10.543 1.00 12.52 N ATOM 0 H GLN A 95 -5.415 -11.999 6.734 1.00 30.14 H new ATOM 0 HA GLN A 95 -3.974 -11.457 9.230 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -4.374 -13.859 9.311 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -3.799 -14.048 7.666 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -1.632 -14.043 8.296 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -1.845 -12.666 9.357 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -0.208 -14.919 9.934 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -0.890 -15.742 11.340 1.00 12.52 H new ATOM 1449 N PRO A 96 -3.223 -10.132 6.961 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.369 -9.406 6.024 1.00 41.01 C ATOM 1451 C PRO A 96 -0.891 -9.636 6.272 1.00 1.53 C ATOM 1452 O PRO A 96 -0.504 -10.294 7.238 1.00 11.13 O ATOM 1453 CB PRO A 96 -2.693 -7.950 6.326 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.087 -7.952 6.837 1.00 12.13 C ATOM 1455 CD PRO A 96 -4.324 -9.294 7.467 1.00 13.13 C ATOM 0 HA PRO A 96 -2.551 -9.721 4.997 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.005 -7.540 7.065 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -2.604 -7.334 5.431 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.232 -7.154 7.565 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -4.795 -7.776 6.027 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -4.309 -9.231 8.555 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -5.295 -9.700 7.185 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.064 -9.053 5.417 1.00 3.32 N ATOM 1464 CA VAL A 97 1.364 -9.162 5.572 1.00 62.24 C ATOM 1465 C VAL A 97 1.900 -7.876 6.168 1.00 12.14 C ATOM 1466 O VAL A 97 2.387 -7.004 5.448 1.00 15.12 O ATOM 1467 CB VAL A 97 2.069 -9.442 4.235 1.00 14.00 C ATOM 1468 CG1 VAL A 97 3.546 -9.723 4.465 1.00 44.42 C ATOM 1469 CG2 VAL A 97 1.397 -10.603 3.513 1.00 64.03 C ATOM 0 H VAL A 97 -0.364 -8.502 4.613 1.00 3.32 H new ATOM 0 HA VAL A 97 1.567 -10.004 6.234 1.00 62.24 H new ATOM 0 HB VAL A 97 1.987 -8.558 3.603 1.00 14.00 H new ATOM 0 HG11 VAL A 97 4.032 -9.919 3.509 1.00 44.42 H new ATOM 0 HG12 VAL A 97 4.012 -8.858 4.938 1.00 44.42 H new ATOM 0 HG13 VAL A 97 3.654 -10.593 5.113 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.908 -10.789 2.568 1.00 64.03 H new ATOM 0 HG22 VAL A 97 1.448 -11.497 4.135 1.00 64.03 H new ATOM 0 HG23 VAL A 97 0.353 -10.355 3.319 1.00 64.03 H new ATOM 1479 N THR A 98 1.787 -7.759 7.488 1.00 41.44 N ATOM 1480 CA THR A 98 2.258 -6.577 8.192 1.00 64.43 C ATOM 1481 C THR A 98 3.761 -6.454 8.019 1.00 21.02 C ATOM 1482 O THR A 98 4.494 -7.432 8.171 1.00 30.03 O ATOM 1483 CB THR A 98 1.891 -6.652 9.672 1.00 34.02 C ATOM 1484 OG1 THR A 98 2.459 -5.569 10.387 1.00 24.31 O ATOM 1485 CG2 THR A 98 2.344 -7.933 10.339 1.00 50.13 C ATOM 0 H THR A 98 1.372 -8.471 8.090 1.00 41.44 H new ATOM 0 HA THR A 98 1.776 -5.694 7.772 1.00 64.43 H new ATOM 0 HB THR A 98 0.802 -6.614 9.700 1.00 34.02 H new ATOM 0 HG1 THR A 98 2.210 -5.635 11.333 1.00 24.31 H new ATOM 0 HG21 THR A 98 2.051 -7.920 11.389 1.00 50.13 H new ATOM 0 HG22 THR A 98 1.880 -8.785 9.843 1.00 50.13 H new ATOM 0 HG23 THR A 98 3.428 -8.017 10.266 1.00 50.13 H new ATOM 1493 N TYR A 99 4.215 -5.268 7.650 1.00 11.02 N ATOM 1494 CA TYR A 99 5.627 -5.056 7.401 1.00 35.40 C ATOM 1495 C TYR A 99 6.106 -3.687 7.870 1.00 21.30 C ATOM 1496 O TYR A 99 5.347 -2.916 8.453 1.00 23.13 O ATOM 1497 CB TYR A 99 5.877 -5.223 5.907 1.00 10.30 C ATOM 1498 CG TYR A 99 6.765 -6.398 5.585 1.00 52.22 C ATOM 1499 CD1 TYR A 99 8.149 -6.281 5.589 1.00 32.43 C ATOM 1500 CD2 TYR A 99 6.208 -7.638 5.291 1.00 4.22 C ATOM 1501 CE1 TYR A 99 8.956 -7.368 5.307 1.00 14.41 C ATOM 1502 CE2 TYR A 99 7.008 -8.728 5.006 1.00 35.13 C ATOM 1503 CZ TYR A 99 8.381 -8.588 5.015 1.00 52.53 C ATOM 1504 OH TYR A 99 9.180 -9.672 4.734 1.00 43.14 O ATOM 0 H TYR A 99 3.629 -4.444 7.517 1.00 11.02 H new ATOM 0 HA TYR A 99 6.194 -5.790 7.974 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.922 -5.346 5.396 1.00 10.30 H new ATOM 0 HB3 TYR A 99 6.333 -4.313 5.517 1.00 10.30 H new ATOM 0 HD1 TYR A 99 8.602 -5.327 5.816 1.00 32.43 H new ATOM 0 HD2 TYR A 99 5.134 -7.751 5.285 1.00 4.22 H new ATOM 0 HE1 TYR A 99 10.031 -7.263 5.315 1.00 14.41 H new ATOM 0 HE2 TYR A 99 6.561 -9.684 4.777 1.00 35.13 H new ATOM 0 HH TYR A 99 8.618 -10.454 4.551 1.00 43.14 H new ATOM 1514 N SER A 100 7.375 -3.394 7.603 1.00 31.31 N ATOM 1515 CA SER A 100 7.967 -2.118 7.984 1.00 32.14 C ATOM 1516 C SER A 100 8.119 -1.216 6.763 1.00 23.31 C ATOM 1517 O SER A 100 8.012 0.006 6.862 1.00 62.10 O ATOM 1518 CB SER A 100 9.329 -2.338 8.646 1.00 40.51 C ATOM 1519 OG SER A 100 9.205 -2.413 10.056 1.00 1.21 O ATOM 0 H SER A 100 8.015 -4.026 7.122 1.00 31.31 H new ATOM 0 HA SER A 100 7.304 -1.631 8.699 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.776 -3.257 8.268 1.00 40.51 H new ATOM 0 HB3 SER A 100 10.002 -1.523 8.380 1.00 40.51 H new ATOM 0 HG SER A 100 10.089 -2.556 10.455 1.00 1.21 H new ATOM 1525 N GLY A 101 8.361 -1.833 5.609 1.00 13.00 N ATOM 1526 CA GLY A 101 8.515 -1.079 4.378 1.00 32.02 C ATOM 1527 C GLY A 101 9.959 -0.731 4.073 1.00 62.13 C ATOM 1528 O GLY A 101 10.648 -0.132 4.899 1.00 15.31 O ATOM 0 H GLY A 101 8.453 -2.844 5.505 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.104 -1.657 3.550 1.00 32.02 H new ATOM 0 HA3 GLY A 101 7.932 -0.160 4.446 1.00 32.02 H new ATOM 1532 N SER A 102 10.415 -1.105 2.881 1.00 50.31 N ATOM 1533 CA SER A 102 11.783 -0.826 2.462 1.00 71.21 C ATOM 1534 C SER A 102 11.796 0.191 1.328 1.00 63.42 C ATOM 1535 O SER A 102 10.755 0.728 0.952 1.00 24.21 O ATOM 1536 CB SER A 102 12.477 -2.115 2.017 1.00 23.50 C ATOM 1537 OG SER A 102 11.859 -3.252 2.593 1.00 75.23 O ATOM 0 H SER A 102 9.856 -1.603 2.188 1.00 50.31 H new ATOM 0 HA SER A 102 12.324 -0.410 3.312 1.00 71.21 H new ATOM 0 HB2 SER A 102 12.446 -2.192 0.930 1.00 23.50 H new ATOM 0 HB3 SER A 102 13.528 -2.084 2.304 1.00 23.50 H new ATOM 0 HG SER A 102 12.320 -4.063 2.292 1.00 75.23 H new ATOM 1543 N ARG A 103 12.979 0.454 0.786 1.00 13.43 N ATOM 1544 CA ARG A 103 13.119 1.410 -0.305 1.00 74.42 C ATOM 1545 C ARG A 103 13.371 0.696 -1.630 1.00 52.14 C ATOM 1546 O ARG A 103 14.317 1.017 -2.349 1.00 2.14 O ATOM 1547 CB ARG A 103 14.261 2.385 -0.010 1.00 32.55 C ATOM 1548 CG ARG A 103 14.230 3.636 -0.872 1.00 62.25 C ATOM 1549 CD ARG A 103 15.628 4.061 -1.289 1.00 24.05 C ATOM 1550 NE ARG A 103 16.182 5.072 -0.392 1.00 31.04 N ATOM 1551 CZ ARG A 103 17.205 5.863 -0.708 1.00 1.13 C ATOM 1552 NH1 ARG A 103 17.790 5.761 -1.895 1.00 72.31 N ATOM 1553 NH2 ARG A 103 17.645 6.758 0.166 1.00 73.50 N ATOM 0 H ARG A 103 13.853 0.020 1.083 1.00 13.43 H new ATOM 0 HA ARG A 103 12.186 1.967 -0.389 1.00 74.42 H new ATOM 0 HB2 ARG A 103 14.217 2.676 1.040 1.00 32.55 H new ATOM 0 HB3 ARG A 103 15.212 1.874 -0.160 1.00 32.55 H new ATOM 0 HG2 ARG A 103 13.625 3.452 -1.760 1.00 62.25 H new ATOM 0 HG3 ARG A 103 13.751 4.446 -0.322 1.00 62.25 H new ATOM 0 HD2 ARG A 103 16.283 3.190 -1.302 1.00 24.05 H new ATOM 0 HD3 ARG A 103 15.600 4.454 -2.305 1.00 24.05 H new ATOM 0 HE ARG A 103 15.760 5.178 0.531 1.00 31.04 H new ATOM 0 HH11 ARG A 103 17.456 5.074 -2.571 1.00 72.31 H new ATOM 0 HH12 ARG A 103 18.573 6.370 -2.131 1.00 72.31 H new ATOM 0 HH21 ARG A 103 17.200 6.840 1.080 1.00 73.50 H new ATOM 0 HH22 ARG A 103 18.429 7.364 -0.076 1.00 73.50 H new ATOM 1567 N THR A 104 12.520 -0.275 -1.949 1.00 51.13 N ATOM 1568 CA THR A 104 12.662 -1.027 -3.192 1.00 63.43 C ATOM 1569 C THR A 104 11.301 -1.378 -3.790 1.00 10.52 C ATOM 1570 O THR A 104 10.352 -1.686 -3.069 1.00 43.31 O ATOM 1571 CB THR A 104 13.474 -2.300 -2.949 1.00 53.32 C ATOM 1572 OG1 THR A 104 13.776 -2.943 -4.175 1.00 61.20 O ATOM 1573 CG2 THR A 104 12.765 -3.302 -2.068 1.00 35.33 C ATOM 0 H THR A 104 11.730 -0.558 -1.369 1.00 51.13 H new ATOM 0 HA THR A 104 13.190 -0.396 -3.907 1.00 63.43 H new ATOM 0 HB THR A 104 14.381 -1.972 -2.441 1.00 53.32 H new ATOM 0 HG1 THR A 104 14.297 -3.754 -3.999 1.00 61.20 H new ATOM 0 HG21 THR A 104 13.396 -4.181 -1.936 1.00 35.33 H new ATOM 0 HG22 THR A 104 12.562 -2.852 -1.096 1.00 35.33 H new ATOM 0 HG23 THR A 104 11.825 -3.597 -2.535 1.00 35.33 H new ATOM 1581 N VAL A 105 11.220 -1.327 -5.116 1.00 53.23 N ATOM 1582 CA VAL A 105 9.985 -1.636 -5.831 1.00 31.22 C ATOM 1583 C VAL A 105 9.917 -3.113 -6.198 1.00 4.43 C ATOM 1584 O VAL A 105 8.894 -3.768 -6.007 1.00 4.43 O ATOM 1585 CB VAL A 105 9.866 -0.802 -7.122 1.00 25.14 C ATOM 1586 CG1 VAL A 105 8.483 -0.957 -7.729 1.00 41.23 C ATOM 1587 CG2 VAL A 105 10.181 0.664 -6.853 1.00 12.42 C ATOM 0 H VAL A 105 12.001 -1.073 -5.721 1.00 53.23 H new ATOM 0 HA VAL A 105 9.161 -1.389 -5.161 1.00 31.22 H new ATOM 0 HB VAL A 105 10.598 -1.175 -7.839 1.00 25.14 H new ATOM 0 HG11 VAL A 105 8.416 -0.362 -8.640 1.00 41.23 H new ATOM 0 HG12 VAL A 105 8.306 -2.006 -7.967 1.00 41.23 H new ATOM 0 HG13 VAL A 105 7.732 -0.615 -7.016 1.00 41.23 H new ATOM 0 HG21 VAL A 105 10.090 1.232 -7.779 1.00 12.42 H new ATOM 0 HG22 VAL A 105 9.481 1.057 -6.116 1.00 12.42 H new ATOM 0 HG23 VAL A 105 11.198 0.753 -6.471 1.00 12.42 H new ATOM 1597 N GLU A 106 11.016 -3.629 -6.729 1.00 21.14 N ATOM 1598 CA GLU A 106 11.114 -5.004 -7.130 1.00 34.33 C ATOM 1599 C GLU A 106 10.646 -5.949 -6.019 1.00 74.15 C ATOM 1600 O GLU A 106 10.051 -6.998 -6.287 1.00 5.20 O ATOM 1601 CB GLU A 106 12.572 -5.248 -7.518 1.00 44.31 C ATOM 1602 CG GLU A 106 13.315 -6.234 -6.637 1.00 51.44 C ATOM 1603 CD GLU A 106 14.563 -6.785 -7.299 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.307 -5.994 -7.916 1.00 13.12 O ATOM 1605 OE2 GLU A 106 14.795 -8.009 -7.202 1.00 0.23 O ATOM 0 H GLU A 106 11.867 -3.090 -6.891 1.00 21.14 H new ATOM 0 HA GLU A 106 10.459 -5.208 -7.977 1.00 34.33 H new ATOM 0 HB2 GLU A 106 12.603 -5.608 -8.546 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.102 -4.296 -7.498 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.590 -5.745 -5.703 1.00 51.44 H new ATOM 0 HG3 GLU A 106 12.650 -7.059 -6.381 1.00 51.44 H new ATOM 1612 N ASP A 107 10.908 -5.566 -4.774 1.00 22.20 N ATOM 1613 CA ASP A 107 10.508 -6.376 -3.634 1.00 22.14 C ATOM 1614 C ASP A 107 9.014 -6.251 -3.396 1.00 30.35 C ATOM 1615 O ASP A 107 8.383 -7.169 -2.878 1.00 45.13 O ATOM 1616 CB ASP A 107 11.277 -5.960 -2.380 1.00 34.21 C ATOM 1617 CG ASP A 107 11.360 -7.075 -1.356 1.00 23.23 C ATOM 1618 OD1 ASP A 107 10.318 -7.706 -1.080 1.00 52.13 O ATOM 1619 OD2 ASP A 107 12.467 -7.318 -0.830 1.00 53.32 O ATOM 0 H ASP A 107 11.394 -4.703 -4.531 1.00 22.20 H new ATOM 0 HA ASP A 107 10.744 -7.417 -3.855 1.00 22.14 H new ATOM 0 HB2 ASP A 107 12.284 -5.652 -2.660 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.792 -5.093 -1.931 1.00 34.21 H new ATOM 1624 N LEU A 108 8.457 -5.109 -3.785 1.00 13.14 N ATOM 1625 CA LEU A 108 7.034 -4.857 -3.624 1.00 21.53 C ATOM 1626 C LEU A 108 6.228 -5.740 -4.556 1.00 44.54 C ATOM 1627 O LEU A 108 5.279 -6.402 -4.138 1.00 54.12 O ATOM 1628 CB LEU A 108 6.725 -3.391 -3.891 1.00 44.23 C ATOM 1629 CG LEU A 108 6.872 -2.492 -2.671 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.610 -1.043 -3.041 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.930 -2.946 -1.565 1.00 1.34 C ATOM 0 H LEU A 108 8.974 -4.342 -4.215 1.00 13.14 H new ATOM 0 HA LEU A 108 6.756 -5.094 -2.597 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.387 -3.029 -4.678 1.00 44.23 H new ATOM 0 HB3 LEU A 108 5.706 -3.309 -4.269 1.00 44.23 H new ATOM 0 HG LEU A 108 7.896 -2.568 -2.304 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.720 -0.416 -2.156 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.325 -0.727 -3.801 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.597 -0.945 -3.432 1.00 11.13 H new ATOM 0 HD21 LEU A 108 6.045 -2.295 -0.699 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.901 -2.898 -1.921 1.00 1.34 H new ATOM 0 HD23 LEU A 108 6.168 -3.971 -1.282 1.00 1.34 H new ATOM 1643 N ILE A 109 6.623 -5.767 -5.819 1.00 64.31 N ATOM 1644 CA ILE A 109 5.944 -6.600 -6.797 1.00 13.12 C ATOM 1645 C ILE A 109 5.974 -8.052 -6.328 1.00 1.02 C ATOM 1646 O ILE A 109 4.937 -8.716 -6.232 1.00 62.41 O ATOM 1647 CB ILE A 109 6.606 -6.481 -8.184 1.00 55.13 C ATOM 1648 CG1 ILE A 109 6.433 -5.063 -8.733 1.00 63.20 C ATOM 1649 CG2 ILE A 109 6.028 -7.504 -9.153 1.00 5.30 C ATOM 1650 CD1 ILE A 109 7.680 -4.515 -9.391 1.00 65.14 C ATOM 0 H ILE A 109 7.405 -5.226 -6.189 1.00 64.31 H new ATOM 0 HA ILE A 109 4.912 -6.261 -6.888 1.00 13.12 H new ATOM 0 HB ILE A 109 7.671 -6.686 -8.074 1.00 55.13 H new ATOM 0 HG12 ILE A 109 5.618 -5.059 -9.457 1.00 63.20 H new ATOM 0 HG13 ILE A 109 6.140 -4.400 -7.919 1.00 63.20 H new ATOM 0 HG21 ILE A 109 6.512 -7.399 -10.124 1.00 5.30 H new ATOM 0 HG22 ILE A 109 6.202 -8.509 -8.768 1.00 5.30 H new ATOM 0 HG23 ILE A 109 4.956 -7.337 -9.262 1.00 5.30 H new ATOM 0 HD11 ILE A 109 7.485 -3.507 -9.757 1.00 65.14 H new ATOM 0 HD12 ILE A 109 8.492 -4.487 -8.665 1.00 65.14 H new ATOM 0 HD13 ILE A 109 7.962 -5.156 -10.226 1.00 65.14 H new ATOM 1662 N LYS A 110 7.171 -8.522 -5.988 1.00 11.50 N ATOM 1663 CA LYS A 110 7.341 -9.873 -5.486 1.00 41.30 C ATOM 1664 C LYS A 110 6.615 -10.015 -4.161 1.00 4.32 C ATOM 1665 O LYS A 110 6.248 -11.115 -3.745 1.00 2.43 O ATOM 1666 CB LYS A 110 8.823 -10.178 -5.289 1.00 41.03 C ATOM 1667 CG LYS A 110 9.164 -11.657 -5.380 1.00 60.41 C ATOM 1668 CD LYS A 110 8.658 -12.271 -6.678 1.00 43.44 C ATOM 1669 CE LYS A 110 9.728 -13.116 -7.352 1.00 44.51 C ATOM 1670 NZ LYS A 110 10.250 -12.470 -8.588 1.00 34.32 N ATOM 0 H LYS A 110 8.035 -7.984 -6.053 1.00 11.50 H new ATOM 0 HA LYS A 110 6.927 -10.575 -6.209 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.399 -9.635 -6.039 1.00 41.03 H new ATOM 0 HB3 LYS A 110 9.135 -9.802 -4.315 1.00 41.03 H new ATOM 0 HG2 LYS A 110 10.244 -11.787 -5.313 1.00 60.41 H new ATOM 0 HG3 LYS A 110 8.726 -12.185 -4.533 1.00 60.41 H new ATOM 0 HD2 LYS A 110 7.783 -12.887 -6.473 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.339 -11.479 -7.356 1.00 43.44 H new ATOM 0 HE2 LYS A 110 10.550 -13.284 -6.656 1.00 44.51 H new ATOM 0 HE3 LYS A 110 9.315 -14.094 -7.600 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 10.977 -13.078 -9.017 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 9.471 -12.332 -9.263 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 10.667 -11.548 -8.348 1.00 34.32 H new ATOM 1684 N PHE A 111 6.412 -8.879 -3.502 1.00 33.42 N ATOM 1685 CA PHE A 111 5.743 -8.843 -2.236 1.00 12.40 C ATOM 1686 C PHE A 111 4.305 -9.303 -2.388 1.00 40.41 C ATOM 1687 O PHE A 111 3.970 -10.430 -2.049 1.00 21.53 O ATOM 1688 CB PHE A 111 5.799 -7.425 -1.705 1.00 64.35 C ATOM 1689 CG PHE A 111 6.282 -7.310 -0.292 1.00 33.13 C ATOM 1690 CD1 PHE A 111 7.387 -8.027 0.135 1.00 12.22 C ATOM 1691 CD2 PHE A 111 5.640 -6.474 0.607 1.00 43.23 C ATOM 1692 CE1 PHE A 111 7.841 -7.916 1.432 1.00 2.32 C ATOM 1693 CE2 PHE A 111 6.092 -6.356 1.905 1.00 33.12 C ATOM 1694 CZ PHE A 111 7.193 -7.078 2.318 1.00 24.21 C ATOM 0 H PHE A 111 6.712 -7.965 -3.843 1.00 33.42 H new ATOM 0 HA PHE A 111 6.235 -9.516 -1.534 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.452 -6.835 -2.348 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.804 -6.986 -1.772 1.00 64.35 H new ATOM 0 HD1 PHE A 111 7.899 -8.681 -0.556 1.00 12.22 H new ATOM 0 HD2 PHE A 111 4.777 -5.909 0.288 1.00 43.23 H new ATOM 0 HE1 PHE A 111 8.702 -8.483 1.754 1.00 2.32 H new ATOM 0 HE2 PHE A 111 5.585 -5.700 2.597 1.00 33.12 H new ATOM 0 HZ PHE A 111 7.548 -6.988 3.334 1.00 24.21 H new ATOM 1704 N ILE A 112 3.466 -8.431 -2.934 1.00 71.40 N ATOM 1705 CA ILE A 112 2.065 -8.759 -3.159 1.00 72.10 C ATOM 1706 C ILE A 112 1.932 -9.949 -4.106 1.00 63.21 C ATOM 1707 O ILE A 112 0.845 -10.488 -4.296 1.00 61.34 O ATOM 1708 CB ILE A 112 1.300 -7.561 -3.756 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.687 -6.264 -3.039 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.198 -7.795 -3.671 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.558 -5.351 -3.874 1.00 24.14 C ATOM 0 H ILE A 112 3.732 -7.492 -3.229 1.00 71.40 H new ATOM 0 HA ILE A 112 1.635 -9.012 -2.190 1.00 72.10 H new ATOM 0 HB ILE A 112 1.574 -7.464 -4.807 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.780 -5.730 -2.756 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.212 -6.511 -2.116 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.724 -6.941 -4.096 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.458 -8.695 -4.228 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.489 -7.917 -2.628 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.794 -4.452 -3.304 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.482 -5.868 -4.135 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.027 -5.075 -4.785 1.00 24.14 H new ATOM 1723 N ALA A 113 3.052 -10.351 -4.693 1.00 65.34 N ATOM 1724 CA ALA A 113 3.074 -11.478 -5.628 1.00 25.50 C ATOM 1725 C ALA A 113 3.352 -12.794 -4.910 1.00 50.32 C ATOM 1726 O ALA A 113 3.029 -13.870 -5.412 1.00 62.32 O ATOM 1727 CB ALA A 113 4.109 -11.245 -6.717 1.00 31.51 C ATOM 0 H ALA A 113 3.961 -9.915 -4.540 1.00 65.34 H new ATOM 0 HA ALA A 113 2.087 -11.547 -6.085 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.112 -12.092 -7.403 1.00 31.51 H new ATOM 0 HB2 ALA A 113 3.863 -10.335 -7.265 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.095 -11.140 -6.265 1.00 31.51 H new ATOM 1733 N GLU A 114 3.930 -12.693 -3.723 1.00 22.41 N ATOM 1734 CA GLU A 114 4.234 -13.866 -2.906 1.00 51.43 C ATOM 1735 C GLU A 114 3.427 -13.783 -1.622 1.00 52.15 C ATOM 1736 O GLU A 114 3.098 -14.790 -0.995 1.00 3.41 O ATOM 1737 CB GLU A 114 5.729 -13.933 -2.591 1.00 23.01 C ATOM 1738 CG GLU A 114 6.601 -14.136 -3.820 1.00 60.52 C ATOM 1739 CD GLU A 114 7.683 -15.176 -3.603 1.00 52.03 C ATOM 1740 OE1 GLU A 114 8.182 -15.284 -2.463 1.00 21.42 O ATOM 1741 OE2 GLU A 114 8.032 -15.881 -4.572 1.00 33.21 O ATOM 0 H GLU A 114 4.201 -11.806 -3.299 1.00 22.41 H new ATOM 0 HA GLU A 114 3.969 -14.771 -3.453 1.00 51.43 H new ATOM 0 HB2 GLU A 114 6.028 -13.012 -2.092 1.00 23.01 H new ATOM 0 HB3 GLU A 114 5.908 -14.748 -1.890 1.00 23.01 H new ATOM 0 HG2 GLU A 114 5.975 -14.439 -4.659 1.00 60.52 H new ATOM 0 HG3 GLU A 114 7.064 -13.188 -4.093 1.00 60.52 H new ATOM 1748 N ASN A 115 3.095 -12.551 -1.272 1.00 45.32 N ATOM 1749 CA ASN A 115 2.309 -12.234 -0.114 1.00 63.32 C ATOM 1750 C ASN A 115 0.847 -12.194 -0.511 1.00 23.34 C ATOM 1751 O ASN A 115 -0.042 -12.497 0.285 1.00 24.10 O ATOM 1752 CB ASN A 115 2.755 -10.873 0.398 1.00 63.53 C ATOM 1753 CG ASN A 115 4.071 -10.950 1.131 1.00 20.43 C ATOM 1754 OD1 ASN A 115 4.129 -11.223 2.328 1.00 74.23 O ATOM 1755 ND2 ASN A 115 5.137 -10.717 0.392 1.00 70.42 N ATOM 0 H ASN A 115 3.377 -11.729 -1.807 1.00 45.32 H new ATOM 0 HA ASN A 115 2.441 -12.982 0.668 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.846 -10.182 -0.440 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.992 -10.468 1.063 1.00 63.53 H new ATOM 0 HD21 ASN A 115 6.066 -10.759 0.810 1.00 70.42 H new ATOM 0 HD22 ASN A 115 5.033 -10.495 -0.598 1.00 70.42 H new ATOM 1762 N GLY A 116 0.613 -11.817 -1.767 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.727 -11.741 -2.274 1.00 0.40 C ATOM 1764 C GLY A 116 -1.241 -13.078 -2.760 1.00 4.13 C ATOM 1765 O GLY A 116 -0.458 -13.973 -3.076 1.00 12.25 O ATOM 0 H GLY A 116 1.339 -11.564 -2.437 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.387 -11.365 -1.492 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.762 -11.023 -3.093 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.558 -13.206 -2.846 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.172 -14.435 -3.328 1.00 65.20 C ATOM 1771 C LYS A 117 -3.217 -14.385 -4.838 1.00 20.51 C ATOM 1772 O LYS A 117 -3.082 -15.399 -5.522 1.00 72.22 O ATOM 1773 CB LYS A 117 -4.587 -14.594 -2.778 1.00 72.12 C ATOM 1774 CG LYS A 117 -4.648 -14.648 -1.260 1.00 74.02 C ATOM 1775 CD LYS A 117 -6.055 -14.948 -0.768 1.00 64.42 C ATOM 1776 CE LYS A 117 -6.164 -16.360 -0.215 1.00 24.11 C ATOM 1777 NZ LYS A 117 -5.784 -17.384 -1.227 1.00 51.02 N ATOM 0 H LYS A 117 -3.221 -12.475 -2.589 1.00 30.14 H new ATOM 0 HA LYS A 117 -2.582 -15.287 -2.989 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.199 -13.763 -3.128 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -5.025 -15.506 -3.183 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -3.963 -15.413 -0.895 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -4.313 -13.696 -0.847 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -6.331 -14.231 0.005 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -6.763 -14.822 -1.587 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -5.521 -16.458 0.660 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -7.186 -16.541 0.119 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -6.062 -18.327 -0.888 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -6.269 -17.182 -2.124 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -4.755 -17.359 -1.377 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.395 -13.174 -5.340 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.442 -12.930 -6.759 1.00 54.21 C ATOM 1793 C TYR A 118 -2.078 -13.209 -7.387 1.00 31.22 C ATOM 1794 O TYR A 118 -1.977 -13.479 -8.584 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.853 -11.480 -7.006 1.00 73.14 C ATOM 1796 CG TYR A 118 -5.237 -11.331 -7.592 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.445 -11.380 -8.964 1.00 31.41 C ATOM 1798 CD2 TYR A 118 -6.337 -11.141 -6.767 1.00 22.41 C ATOM 1799 CE1 TYR A 118 -6.712 -11.243 -9.497 1.00 61.32 C ATOM 1800 CE2 TYR A 118 -7.606 -11.003 -7.291 1.00 2.21 C ATOM 1801 CZ TYR A 118 -7.790 -11.055 -8.657 1.00 61.51 C ATOM 1802 OH TYR A 118 -9.053 -10.918 -9.183 1.00 31.31 O ATOM 0 H TYR A 118 -3.510 -12.337 -4.769 1.00 41.14 H new ATOM 0 HA TYR A 118 -4.173 -13.595 -7.218 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.806 -10.933 -6.064 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -3.132 -11.017 -7.679 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.603 -11.527 -9.624 1.00 31.41 H new ATOM 0 HD2 TYR A 118 -6.197 -11.100 -5.697 1.00 22.41 H new ATOM 0 HE1 TYR A 118 -6.858 -11.283 -10.566 1.00 61.32 H new ATOM 0 HE2 TYR A 118 -8.451 -10.855 -6.635 1.00 2.21 H new ATOM 0 HH TYR A 118 -9.698 -10.794 -8.456 1.00 31.31 H new ATOM 1812 N LYS A 119 -1.026 -13.140 -6.565 1.00 14.21 N ATOM 1813 CA LYS A 119 0.331 -13.383 -7.034 1.00 21.52 C ATOM 1814 C LYS A 119 0.674 -12.492 -8.220 1.00 1.24 C ATOM 1815 O LYS A 119 1.373 -12.911 -9.143 1.00 32.33 O ATOM 1816 CB LYS A 119 0.509 -14.849 -7.416 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.013 -15.821 -6.372 1.00 41.10 C ATOM 1818 CD LYS A 119 0.760 -15.703 -5.069 1.00 73.22 C ATOM 1819 CE LYS A 119 0.101 -16.501 -3.955 1.00 43.03 C ATOM 1820 NZ LYS A 119 0.875 -16.426 -2.686 1.00 25.12 N ATOM 0 H LYS A 119 -1.094 -12.917 -5.572 1.00 14.21 H new ATOM 0 HA LYS A 119 1.012 -13.142 -6.218 1.00 21.52 H new ATOM 0 HB2 LYS A 119 -0.004 -15.034 -8.360 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.568 -15.045 -7.585 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.070 -15.627 -6.189 1.00 41.10 H new ATOM 0 HG3 LYS A 119 0.063 -16.840 -6.751 1.00 41.10 H new ATOM 0 HD2 LYS A 119 1.780 -16.057 -5.217 1.00 73.22 H new ATOM 0 HD3 LYS A 119 0.825 -14.655 -4.777 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -0.908 -16.125 -3.787 1.00 43.03 H new ATOM 0 HE3 LYS A 119 0.006 -17.543 -4.262 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 0.536 -17.158 -2.029 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 1.884 -16.580 -2.885 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 0.746 -15.488 -2.256 1.00 25.12 H new ATOM 1834 N ALA A 120 0.184 -11.261 -8.186 1.00 74.40 N ATOM 1835 CA ALA A 120 0.447 -10.310 -9.255 1.00 54.30 C ATOM 1836 C ALA A 120 1.906 -9.873 -9.239 1.00 30.52 C ATOM 1837 O ALA A 120 2.331 -9.123 -8.360 1.00 33.35 O ATOM 1838 CB ALA A 120 -0.472 -9.107 -9.130 1.00 64.55 C ATOM 0 H ALA A 120 -0.397 -10.898 -7.430 1.00 74.40 H new ATOM 0 HA ALA A 120 0.249 -10.800 -10.208 1.00 54.30 H new ATOM 0 HB1 ALA A 120 -0.263 -8.404 -9.937 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -1.510 -9.434 -9.193 1.00 64.55 H new ATOM 0 HB3 ALA A 120 -0.303 -8.618 -8.170 1.00 64.55 H new ATOM 1844 N ALA A 121 2.670 -10.346 -10.216 1.00 10.42 N ATOM 1845 CA ALA A 121 4.083 -10.005 -10.316 1.00 22.33 C ATOM 1846 C ALA A 121 4.422 -9.472 -11.704 1.00 32.25 C ATOM 1847 O ALA A 121 5.590 -9.613 -12.122 1.00 52.14 O ATOM 1848 CB ALA A 121 4.942 -11.218 -9.991 1.00 73.22 C ATOM 1849 OXT ALA A 121 3.516 -8.917 -12.361 1.00 38.03 O ATOM 0 H ALA A 121 2.334 -10.968 -10.951 1.00 10.42 H new ATOM 0 HA ALA A 121 4.294 -9.218 -9.592 1.00 22.33 H new ATOM 0 HB1 ALA A 121 5.995 -10.949 -10.069 1.00 73.22 H new ATOM 0 HB2 ALA A 121 4.728 -11.554 -8.977 1.00 73.22 H new ATOM 0 HB3 ALA A 121 4.719 -12.021 -10.694 1.00 73.22 H new