USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 879 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 82 THR OG1 : rot 91:sc= -1.07 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.736 K(o=-1.8,f=-4.8) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.515 USER MOD Single : A 30 CYS SG : rot 38:sc= -0.457 USER MOD Single : A 31 THR OG1 : rot 125:sc= 1.85 USER MOD Single : A 32 THR OG1 : rot 21:sc= 0.28 USER MOD Single : A 35 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.4!) USER MOD Single : A 37 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.025) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= -0.529 (180deg=-0.536) USER MOD Single : A 47 THR OG1 : rot -55:sc= -0.173 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.563) USER MOD Single : A 68 GLN : amide:sc= -6.01! C(o=-6!,f=-4.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -2.02 K(o=-2,f=-3.5) USER MOD Single : A 75 MET CE :methyl -158:sc= -0.372 (180deg=-1.2) USER MOD Single : A 81 MET CE :methyl -142:sc= -7.1! (180deg=-10.9!) USER MOD Single : A 85 SER OG : rot -52:sc= 0.719 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -131:sc= -2.97! USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -118:sc= -2.56! USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.269 (180deg=-0.527) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 122 TYR OH : rot -82:sc= -0.287 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.906 -3.880 -2.115 1.00 44.30 N ATOM 36 CA ARG A 3 5.360 -3.897 -2.231 1.00 74.11 C ATOM 37 C ARG A 3 5.923 -5.249 -1.804 1.00 60.43 C ATOM 38 O ARG A 3 7.035 -5.617 -2.181 1.00 0.10 O ATOM 39 CB ARG A 3 5.974 -2.785 -1.379 1.00 51.22 C ATOM 40 CG ARG A 3 5.464 -2.762 0.052 1.00 13.14 C ATOM 41 CD ARG A 3 6.340 -3.601 0.969 1.00 33.05 C ATOM 42 NE ARG A 3 7.727 -3.145 0.970 1.00 51.44 N ATOM 43 CZ ARG A 3 8.150 -2.078 1.639 1.00 14.10 C ATOM 44 NH1 ARG A 3 7.297 -1.362 2.359 1.00 53.03 N ATOM 45 NH2 ARG A 3 9.428 -1.726 1.590 1.00 40.12 N ATOM 0 HA ARG A 3 5.618 -3.729 -3.277 1.00 74.11 H new ATOM 0 HB2 ARG A 3 7.057 -2.904 -1.368 1.00 51.22 H new ATOM 0 HB3 ARG A 3 5.764 -1.823 -1.846 1.00 51.22 H new ATOM 0 HG2 ARG A 3 5.437 -1.734 0.413 1.00 13.14 H new ATOM 0 HG3 ARG A 3 4.441 -3.137 0.081 1.00 13.14 H new ATOM 0 HD2 ARG A 3 5.945 -3.561 1.984 1.00 33.05 H new ATOM 0 HD3 ARG A 3 6.302 -4.643 0.653 1.00 33.05 H new ATOM 0 HE ARG A 3 8.409 -3.675 0.427 1.00 51.44 H new ATOM 0 HH11 ARG A 3 6.314 -1.630 2.400 1.00 53.03 H new ATOM 0 HH12 ARG A 3 7.624 -0.543 2.872 1.00 53.03 H new ATOM 0 HH21 ARG A 3 10.087 -2.275 1.038 1.00 40.12 H new ATOM 0 HH22 ARG A 3 9.751 -0.907 2.104 1.00 40.12 H new ATOM 59 N GLY A 4 5.147 -5.986 -1.015 1.00 12.22 N ATOM 60 CA GLY A 4 5.585 -7.288 -0.549 1.00 64.53 C ATOM 61 C GLY A 4 4.429 -8.174 -0.129 1.00 51.42 C ATOM 62 O GLY A 4 3.918 -8.052 0.985 1.00 42.33 O ATOM 0 H GLY A 4 4.222 -5.704 -0.690 1.00 12.22 H new ATOM 0 HA2 GLY A 4 6.149 -7.783 -1.340 1.00 64.53 H new ATOM 0 HA3 GLY A 4 6.264 -7.159 0.294 1.00 64.53 H new ATOM 66 N ILE A 5 4.014 -9.066 -1.022 1.00 52.42 N ATOM 67 CA ILE A 5 2.910 -9.974 -0.738 1.00 12.22 C ATOM 68 C ILE A 5 3.378 -11.167 0.088 1.00 64.11 C ATOM 69 O ILE A 5 4.478 -11.683 -0.115 1.00 13.22 O ATOM 70 CB ILE A 5 2.254 -10.486 -2.034 1.00 22.32 C ATOM 71 CG1 ILE A 5 1.600 -9.330 -2.792 1.00 44.44 C ATOM 72 CG2 ILE A 5 1.230 -11.566 -1.718 1.00 70.01 C ATOM 73 CD1 ILE A 5 1.415 -9.603 -4.268 1.00 74.34 C ATOM 0 H ILE A 5 4.426 -9.179 -1.948 1.00 52.42 H new ATOM 0 HA ILE A 5 2.174 -9.407 -0.168 1.00 12.22 H new ATOM 0 HB ILE A 5 3.027 -10.920 -2.668 1.00 22.32 H new ATOM 0 HG12 ILE A 5 0.629 -9.117 -2.346 1.00 44.44 H new ATOM 0 HG13 ILE A 5 2.210 -8.435 -2.670 1.00 44.44 H new ATOM 0 HG21 ILE A 5 0.775 -11.918 -2.644 1.00 70.01 H new ATOM 0 HG22 ILE A 5 1.723 -12.399 -1.216 1.00 70.01 H new ATOM 0 HG23 ILE A 5 0.458 -11.156 -1.067 1.00 70.01 H new ATOM 0 HD11 ILE A 5 0.946 -8.741 -4.742 1.00 74.34 H new ATOM 0 HD12 ILE A 5 2.386 -9.787 -4.729 1.00 74.34 H new ATOM 0 HD13 ILE A 5 0.780 -10.479 -4.399 1.00 74.34 H new ATOM 85 N VAL A 6 2.536 -11.603 1.019 1.00 12.22 N ATOM 86 CA VAL A 6 2.862 -12.738 1.874 1.00 11.24 C ATOM 87 C VAL A 6 1.761 -13.792 1.832 1.00 43.11 C ATOM 88 O VAL A 6 0.588 -13.487 2.043 1.00 55.01 O ATOM 89 CB VAL A 6 3.079 -12.297 3.334 1.00 0.40 C ATOM 90 CG1 VAL A 6 3.740 -13.408 4.135 1.00 3.21 C ATOM 91 CG2 VAL A 6 3.909 -11.023 3.387 1.00 22.03 C ATOM 0 H VAL A 6 1.622 -11.187 1.201 1.00 12.22 H new ATOM 0 HA VAL A 6 3.787 -13.167 1.490 1.00 11.24 H new ATOM 0 HB VAL A 6 2.107 -12.089 3.781 1.00 0.40 H new ATOM 0 HG11 VAL A 6 3.885 -13.078 5.164 1.00 3.21 H new ATOM 0 HG12 VAL A 6 3.103 -14.293 4.124 1.00 3.21 H new ATOM 0 HG13 VAL A 6 4.706 -13.651 3.692 1.00 3.21 H new ATOM 0 HG21 VAL A 6 4.053 -10.725 4.426 1.00 22.03 H new ATOM 0 HG22 VAL A 6 4.879 -11.201 2.923 1.00 22.03 H new ATOM 0 HG23 VAL A 6 3.391 -10.228 2.850 1.00 22.03 H new ATOM 101 N TRP A 7 2.149 -15.032 1.558 1.00 34.43 N ATOM 102 CA TRP A 7 1.194 -16.133 1.489 1.00 60.03 C ATOM 103 C TRP A 7 1.401 -17.107 2.643 1.00 64.30 C ATOM 104 O TRP A 7 2.439 -17.089 3.305 1.00 42.11 O ATOM 105 CB TRP A 7 1.328 -16.868 0.154 1.00 25.11 C ATOM 106 CG TRP A 7 0.895 -16.047 -1.023 1.00 22.14 C ATOM 107 CD1 TRP A 7 0.357 -14.792 -0.993 1.00 23.13 C ATOM 108 CD2 TRP A 7 0.962 -16.425 -2.402 1.00 54.40 C ATOM 109 NE1 TRP A 7 0.085 -14.367 -2.271 1.00 3.33 N ATOM 110 CE2 TRP A 7 0.448 -15.350 -3.153 1.00 53.43 C ATOM 111 CE3 TRP A 7 1.407 -17.565 -3.076 1.00 11.02 C ATOM 112 CZ2 TRP A 7 0.367 -15.384 -4.543 1.00 31.41 C ATOM 113 CZ3 TRP A 7 1.326 -17.598 -4.455 1.00 32.12 C ATOM 114 CH2 TRP A 7 0.810 -16.513 -5.177 1.00 30.44 C ATOM 0 H TRP A 7 3.117 -15.301 1.380 1.00 34.43 H new ATOM 0 HA TRP A 7 0.190 -15.716 1.567 1.00 60.03 H new ATOM 0 HB2 TRP A 7 2.367 -17.169 0.016 1.00 25.11 H new ATOM 0 HB3 TRP A 7 0.734 -17.781 0.189 1.00 25.11 H new ATOM 0 HD1 TRP A 7 0.173 -14.218 -0.097 1.00 23.13 H new ATOM 0 HE1 TRP A 7 -0.321 -13.466 -2.522 1.00 3.33 H new ATOM 0 HE3 TRP A 7 1.807 -18.406 -2.529 1.00 11.02 H new ATOM 0 HZ2 TRP A 7 -0.031 -14.549 -5.101 1.00 31.41 H new ATOM 0 HZ3 TRP A 7 1.666 -18.475 -4.986 1.00 32.12 H new ATOM 0 HH2 TRP A 7 0.761 -16.569 -6.254 1.00 30.44 H new ATOM 125 N VAL A 8 0.408 -17.958 2.880 1.00 72.14 N ATOM 126 CA VAL A 8 0.483 -18.941 3.954 1.00 75.23 C ATOM 127 C VAL A 8 -0.173 -20.255 3.543 1.00 41.11 C ATOM 128 O VAL A 8 -1.178 -20.264 2.831 1.00 25.24 O ATOM 129 CB VAL A 8 -0.193 -18.423 5.237 1.00 3.52 C ATOM 130 CG1 VAL A 8 -0.206 -19.503 6.308 1.00 72.03 C ATOM 131 CG2 VAL A 8 0.510 -17.171 5.740 1.00 5.12 C ATOM 0 H VAL A 8 -0.458 -17.986 2.342 1.00 72.14 H new ATOM 0 HA VAL A 8 1.541 -19.112 4.153 1.00 75.23 H new ATOM 0 HB VAL A 8 -1.226 -18.164 5.004 1.00 3.52 H new ATOM 0 HG11 VAL A 8 -0.688 -19.118 7.207 1.00 72.03 H new ATOM 0 HG12 VAL A 8 -0.757 -20.370 5.944 1.00 72.03 H new ATOM 0 HG13 VAL A 8 0.818 -19.796 6.542 1.00 72.03 H new ATOM 0 HG21 VAL A 8 0.020 -16.818 6.647 1.00 5.12 H new ATOM 0 HG22 VAL A 8 1.553 -17.402 5.957 1.00 5.12 H new ATOM 0 HG23 VAL A 8 0.462 -16.395 4.976 1.00 5.12 H new ATOM 141 N VAL A 9 0.402 -21.364 3.996 1.00 23.15 N ATOM 142 CA VAL A 9 -0.127 -22.685 3.678 1.00 43.13 C ATOM 143 C VAL A 9 -0.199 -23.563 4.922 1.00 45.01 C ATOM 144 O VAL A 9 0.582 -24.502 5.077 1.00 22.14 O ATOM 145 CB VAL A 9 0.733 -23.392 2.613 1.00 52.32 C ATOM 146 CG1 VAL A 9 2.174 -23.515 3.085 1.00 54.53 C ATOM 147 CG2 VAL A 9 0.153 -24.759 2.282 1.00 0.33 C ATOM 0 H VAL A 9 1.235 -21.374 4.585 1.00 23.15 H new ATOM 0 HA VAL A 9 -1.132 -22.537 3.283 1.00 43.13 H new ATOM 0 HB VAL A 9 0.724 -22.789 1.705 1.00 52.32 H new ATOM 0 HG11 VAL A 9 2.766 -24.017 2.320 1.00 54.53 H new ATOM 0 HG12 VAL A 9 2.583 -22.521 3.267 1.00 54.53 H new ATOM 0 HG13 VAL A 9 2.207 -24.095 4.007 1.00 54.53 H new ATOM 0 HG21 VAL A 9 0.773 -25.244 1.528 1.00 0.33 H new ATOM 0 HG22 VAL A 9 0.130 -25.372 3.183 1.00 0.33 H new ATOM 0 HG23 VAL A 9 -0.860 -24.641 1.898 1.00 0.33 H new ATOM 157 N ASP A 10 -1.140 -23.252 5.805 1.00 15.43 N ATOM 158 CA ASP A 10 -1.316 -24.013 7.036 1.00 31.44 C ATOM 159 C ASP A 10 -2.603 -24.831 6.991 1.00 54.34 C ATOM 160 O ASP A 10 -3.397 -24.705 6.058 1.00 33.20 O ATOM 161 CB ASP A 10 -1.336 -23.075 8.244 1.00 41.22 C ATOM 162 CG ASP A 10 -2.510 -22.116 8.213 1.00 41.04 C ATOM 163 OD1 ASP A 10 -3.662 -22.587 8.306 1.00 15.23 O ATOM 164 OD2 ASP A 10 -2.276 -20.895 8.094 1.00 50.24 O ATOM 0 H ASP A 10 -1.794 -22.477 5.691 1.00 15.43 H new ATOM 0 HA ASP A 10 -0.474 -24.698 7.132 1.00 31.44 H new ATOM 0 HB2 ASP A 10 -1.378 -23.666 9.159 1.00 41.22 H new ATOM 0 HB3 ASP A 10 -0.407 -22.506 8.274 1.00 41.22 H new ATOM 169 N ASP A 11 -2.803 -25.668 8.003 1.00 43.15 N ATOM 170 CA ASP A 11 -3.994 -26.506 8.078 1.00 24.21 C ATOM 171 C ASP A 11 -4.817 -26.170 9.318 1.00 62.33 C ATOM 172 O ASP A 11 -5.581 -27.000 9.811 1.00 2.03 O ATOM 173 CB ASP A 11 -3.602 -27.985 8.096 1.00 53.32 C ATOM 174 CG ASP A 11 -4.658 -28.870 7.463 1.00 25.52 C ATOM 175 OD1 ASP A 11 -5.651 -29.192 8.148 1.00 20.55 O ATOM 176 OD2 ASP A 11 -4.490 -29.241 6.283 1.00 75.13 O ATOM 0 H ASP A 11 -2.156 -25.784 8.783 1.00 43.15 H new ATOM 0 HA ASP A 11 -4.603 -26.310 7.196 1.00 24.21 H new ATOM 0 HB2 ASP A 11 -2.658 -28.114 7.566 1.00 53.32 H new ATOM 0 HB3 ASP A 11 -3.436 -28.302 9.126 1.00 53.32 H new ATOM 181 N ASP A 12 -4.655 -24.950 9.816 1.00 1.41 N ATOM 182 CA ASP A 12 -5.383 -24.504 10.998 1.00 0.43 C ATOM 183 C ASP A 12 -6.112 -23.192 10.725 1.00 51.23 C ATOM 184 O ASP A 12 -5.720 -22.424 9.846 1.00 1.45 O ATOM 185 CB ASP A 12 -4.426 -24.333 12.179 1.00 44.32 C ATOM 186 CG ASP A 12 -4.591 -25.421 13.221 1.00 75.21 C ATOM 187 OD1 ASP A 12 -5.745 -25.822 13.481 1.00 60.53 O ATOM 188 OD2 ASP A 12 -3.568 -25.871 13.777 1.00 22.34 O ATOM 0 H ASP A 12 -4.026 -24.252 9.420 1.00 1.41 H new ATOM 0 HA ASP A 12 -6.123 -25.265 11.247 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -3.399 -24.337 11.814 1.00 44.32 H new ATOM 0 HB3 ASP A 12 -4.596 -23.361 12.643 1.00 44.32 H new ATOM 193 N SER A 13 -7.176 -22.943 11.482 1.00 43.31 N ATOM 194 CA SER A 13 -7.963 -21.726 11.318 1.00 61.32 C ATOM 195 C SER A 13 -7.233 -20.523 11.907 1.00 62.11 C ATOM 196 O SER A 13 -6.999 -19.528 11.221 1.00 63.21 O ATOM 197 CB SER A 13 -9.330 -21.884 11.986 1.00 73.44 C ATOM 198 OG SER A 13 -10.356 -21.320 11.187 1.00 10.02 O ATOM 0 H SER A 13 -7.513 -23.568 12.215 1.00 43.31 H new ATOM 0 HA SER A 13 -8.105 -21.556 10.251 1.00 61.32 H new ATOM 0 HB2 SER A 13 -9.536 -22.941 12.155 1.00 73.44 H new ATOM 0 HB3 SER A 13 -9.319 -21.401 12.963 1.00 73.44 H new ATOM 0 HG SER A 13 -11.220 -21.435 11.635 1.00 10.02 H new ATOM 204 N SER A 14 -6.876 -20.622 13.183 1.00 24.43 N ATOM 205 CA SER A 14 -6.175 -19.542 13.867 1.00 14.35 C ATOM 206 C SER A 14 -4.825 -19.268 13.212 1.00 73.24 C ATOM 207 O SER A 14 -4.446 -18.115 13.004 1.00 74.24 O ATOM 208 CB SER A 14 -5.977 -19.889 15.344 1.00 3.42 C ATOM 209 OG SER A 14 -6.407 -18.828 16.180 1.00 40.14 O ATOM 0 H SER A 14 -7.061 -21.439 13.764 1.00 24.43 H new ATOM 0 HA SER A 14 -6.785 -18.642 13.791 1.00 14.35 H new ATOM 0 HB2 SER A 14 -6.533 -20.795 15.586 1.00 3.42 H new ATOM 0 HB3 SER A 14 -4.925 -20.101 15.533 1.00 3.42 H new ATOM 0 HG SER A 14 -6.271 -19.075 17.118 1.00 40.14 H new ATOM 215 N ILE A 15 -4.104 -20.337 12.888 1.00 15.44 N ATOM 216 CA ILE A 15 -2.797 -20.213 12.255 1.00 14.33 C ATOM 217 C ILE A 15 -2.859 -19.288 11.044 1.00 24.12 C ATOM 218 O ILE A 15 -2.058 -18.362 10.917 1.00 42.24 O ATOM 219 CB ILE A 15 -2.254 -21.584 11.813 1.00 22.11 C ATOM 220 CG1 ILE A 15 -2.009 -22.477 13.031 1.00 4.23 C ATOM 221 CG2 ILE A 15 -0.974 -21.412 11.009 1.00 25.24 C ATOM 222 CD1 ILE A 15 -1.015 -21.898 14.015 1.00 74.15 C ATOM 0 H ILE A 15 -4.403 -21.298 13.054 1.00 15.44 H new ATOM 0 HA ILE A 15 -2.124 -19.788 13.000 1.00 14.33 H new ATOM 0 HB ILE A 15 -2.997 -22.065 11.177 1.00 22.11 H new ATOM 0 HG12 ILE A 15 -2.956 -22.648 13.542 1.00 4.23 H new ATOM 0 HG13 ILE A 15 -1.649 -23.449 12.693 1.00 4.23 H new ATOM 0 HG21 ILE A 15 -0.602 -22.390 10.704 1.00 25.24 H new ATOM 0 HG22 ILE A 15 -1.178 -20.809 10.124 1.00 25.24 H new ATOM 0 HG23 ILE A 15 -0.223 -20.914 11.622 1.00 25.24 H new ATOM 0 HD11 ILE A 15 -0.891 -22.584 14.853 1.00 74.15 H new ATOM 0 HD12 ILE A 15 -0.055 -21.752 13.519 1.00 74.15 H new ATOM 0 HD13 ILE A 15 -1.383 -20.940 14.382 1.00 74.15 H new ATOM 234 N ARG A 16 -3.815 -19.545 10.158 1.00 33.12 N ATOM 235 CA ARG A 16 -3.982 -18.736 8.957 1.00 1.53 C ATOM 236 C ARG A 16 -4.649 -17.404 9.288 1.00 50.43 C ATOM 237 O ARG A 16 -4.372 -16.385 8.654 1.00 64.30 O ATOM 238 CB ARG A 16 -4.813 -19.491 7.919 1.00 53.33 C ATOM 239 CG ARG A 16 -6.297 -19.164 7.971 1.00 3.42 C ATOM 240 CD ARG A 16 -7.115 -20.158 7.163 1.00 54.35 C ATOM 241 NE ARG A 16 -8.360 -19.571 6.672 1.00 65.13 N ATOM 242 CZ ARG A 16 -9.416 -19.337 7.442 1.00 30.42 C ATOM 243 NH1 ARG A 16 -9.379 -19.639 8.733 1.00 40.41 N ATOM 244 NH2 ARG A 16 -10.512 -18.801 6.922 1.00 55.10 N ATOM 0 H ARG A 16 -4.486 -20.308 10.249 1.00 33.12 H new ATOM 0 HA ARG A 16 -2.994 -18.535 8.544 1.00 1.53 H new ATOM 0 HB2 ARG A 16 -4.433 -19.259 6.924 1.00 53.33 H new ATOM 0 HB3 ARG A 16 -4.680 -20.562 8.069 1.00 53.33 H new ATOM 0 HG2 ARG A 16 -6.636 -19.169 9.007 1.00 3.42 H new ATOM 0 HG3 ARG A 16 -6.463 -18.157 7.587 1.00 3.42 H new ATOM 0 HD2 ARG A 16 -6.524 -20.513 6.319 1.00 54.35 H new ATOM 0 HD3 ARG A 16 -7.343 -21.027 7.780 1.00 54.35 H new ATOM 0 HE ARG A 16 -8.421 -19.328 5.683 1.00 65.13 H new ATOM 0 HH11 ARG A 16 -8.538 -20.052 9.136 1.00 40.41 H new ATOM 0 HH12 ARG A 16 -10.192 -19.458 9.323 1.00 40.41 H new ATOM 0 HH21 ARG A 16 -10.544 -18.568 5.929 1.00 55.10 H new ATOM 0 HH22 ARG A 16 -11.323 -18.622 7.515 1.00 55.10 H new ATOM 258 N TRP A 17 -5.529 -17.419 10.282 1.00 21.52 N ATOM 259 CA TRP A 17 -6.236 -16.213 10.696 1.00 10.13 C ATOM 260 C TRP A 17 -5.254 -15.105 11.061 1.00 54.32 C ATOM 261 O TRP A 17 -5.175 -14.083 10.378 1.00 23.22 O ATOM 262 CB TRP A 17 -7.148 -16.515 11.886 1.00 14.42 C ATOM 263 CG TRP A 17 -7.572 -15.288 12.636 1.00 10.00 C ATOM 264 CD1 TRP A 17 -8.551 -14.406 12.278 1.00 35.12 C ATOM 265 CD2 TRP A 17 -7.028 -14.807 13.870 1.00 63.21 C ATOM 266 NE1 TRP A 17 -8.649 -13.406 13.215 1.00 2.14 N ATOM 267 CE2 TRP A 17 -7.726 -13.630 14.202 1.00 4.43 C ATOM 268 CE3 TRP A 17 -6.020 -15.258 14.727 1.00 14.23 C ATOM 269 CZ2 TRP A 17 -7.446 -12.899 15.354 1.00 42.21 C ATOM 270 CZ3 TRP A 17 -5.744 -14.531 15.870 1.00 62.23 C ATOM 271 CH2 TRP A 17 -6.455 -13.363 16.175 1.00 5.02 C ATOM 0 H TRP A 17 -5.770 -18.253 10.817 1.00 21.52 H new ATOM 0 HA TRP A 17 -6.844 -15.873 9.858 1.00 10.13 H new ATOM 0 HB2 TRP A 17 -8.035 -17.040 11.531 1.00 14.42 H new ATOM 0 HB3 TRP A 17 -6.631 -17.189 12.569 1.00 14.42 H new ATOM 0 HD1 TRP A 17 -9.159 -14.483 11.389 1.00 35.12 H new ATOM 0 HE1 TRP A 17 -9.303 -12.624 13.181 1.00 2.14 H new ATOM 0 HE3 TRP A 17 -5.467 -16.158 14.500 1.00 14.23 H new ATOM 0 HZ2 TRP A 17 -7.992 -11.998 15.591 1.00 42.21 H new ATOM 0 HZ3 TRP A 17 -4.967 -14.869 16.539 1.00 62.23 H new ATOM 0 HH2 TRP A 17 -6.216 -12.818 17.076 1.00 5.02 H new ATOM 282 N VAL A 18 -4.508 -15.313 12.141 1.00 41.32 N ATOM 283 CA VAL A 18 -3.530 -14.331 12.595 1.00 71.10 C ATOM 284 C VAL A 18 -2.590 -13.928 11.464 1.00 15.32 C ATOM 285 O VAL A 18 -2.191 -12.767 11.359 1.00 65.44 O ATOM 286 CB VAL A 18 -2.697 -14.872 13.772 1.00 63.21 C ATOM 287 CG1 VAL A 18 -2.325 -16.328 13.538 1.00 23.40 C ATOM 288 CG2 VAL A 18 -1.452 -14.022 13.978 1.00 12.02 C ATOM 0 H VAL A 18 -4.562 -16.152 12.718 1.00 41.32 H new ATOM 0 HA VAL A 18 -4.090 -13.457 12.927 1.00 71.10 H new ATOM 0 HB VAL A 18 -3.301 -14.817 14.678 1.00 63.21 H new ATOM 0 HG11 VAL A 18 -1.737 -16.693 14.380 1.00 23.40 H new ATOM 0 HG12 VAL A 18 -3.232 -16.925 13.443 1.00 23.40 H new ATOM 0 HG13 VAL A 18 -1.739 -16.411 12.623 1.00 23.40 H new ATOM 0 HG21 VAL A 18 -0.875 -14.418 14.814 1.00 12.02 H new ATOM 0 HG22 VAL A 18 -0.843 -14.043 13.074 1.00 12.02 H new ATOM 0 HG23 VAL A 18 -1.745 -12.995 14.194 1.00 12.02 H new ATOM 298 N LEU A 19 -2.242 -14.892 10.620 1.00 25.21 N ATOM 299 CA LEU A 19 -1.348 -14.638 9.495 1.00 74.11 C ATOM 300 C LEU A 19 -2.054 -13.827 8.412 1.00 24.33 C ATOM 301 O LEU A 19 -1.407 -13.191 7.581 1.00 74.35 O ATOM 302 CB LEU A 19 -0.843 -15.959 8.911 1.00 2.53 C ATOM 303 CG LEU A 19 0.227 -16.687 9.726 1.00 12.40 C ATOM 304 CD1 LEU A 19 0.327 -18.142 9.295 1.00 5.34 C ATOM 305 CD2 LEU A 19 1.573 -15.991 9.581 1.00 33.42 C ATOM 0 H LEU A 19 -2.565 -15.857 10.693 1.00 25.21 H new ATOM 0 HA LEU A 19 -0.498 -14.061 9.860 1.00 74.11 H new ATOM 0 HB2 LEU A 19 -1.695 -16.628 8.787 1.00 2.53 H new ATOM 0 HB3 LEU A 19 -0.443 -15.764 7.916 1.00 2.53 H new ATOM 0 HG LEU A 19 -0.062 -16.660 10.777 1.00 12.40 H new ATOM 0 HD11 LEU A 19 1.093 -18.645 9.885 1.00 5.34 H new ATOM 0 HD12 LEU A 19 -0.633 -18.635 9.451 1.00 5.34 H new ATOM 0 HD13 LEU A 19 0.592 -18.191 8.239 1.00 5.34 H new ATOM 0 HD21 LEU A 19 2.322 -16.522 10.168 1.00 33.42 H new ATOM 0 HD22 LEU A 19 1.869 -15.987 8.532 1.00 33.42 H new ATOM 0 HD23 LEU A 19 1.492 -14.965 9.940 1.00 33.42 H new ATOM 317 N GLU A 20 -3.383 -13.854 8.431 1.00 4.14 N ATOM 318 CA GLU A 20 -4.175 -13.120 7.452 1.00 42.24 C ATOM 319 C GLU A 20 -4.312 -11.654 7.851 1.00 11.44 C ATOM 320 O GLU A 20 -3.914 -10.757 7.108 1.00 2.41 O ATOM 321 CB GLU A 20 -5.561 -13.752 7.306 1.00 25.13 C ATOM 322 CG GLU A 20 -5.996 -13.940 5.863 1.00 44.03 C ATOM 323 CD GLU A 20 -6.886 -12.816 5.371 1.00 52.43 C ATOM 324 OE1 GLU A 20 -6.795 -11.701 5.926 1.00 2.15 O ATOM 325 OE2 GLU A 20 -7.674 -13.050 4.431 1.00 72.10 O ATOM 0 H GLU A 20 -3.933 -14.376 9.113 1.00 4.14 H new ATOM 0 HA GLU A 20 -3.658 -13.171 6.494 1.00 42.24 H new ATOM 0 HB2 GLU A 20 -5.564 -14.720 7.806 1.00 25.13 H new ATOM 0 HB3 GLU A 20 -6.292 -13.126 7.818 1.00 25.13 H new ATOM 0 HG2 GLU A 20 -5.113 -14.004 5.227 1.00 44.03 H new ATOM 0 HG3 GLU A 20 -6.527 -14.887 5.768 1.00 44.03 H new ATOM 332 N ARG A 21 -4.879 -11.418 9.030 1.00 22.43 N ATOM 333 CA ARG A 21 -5.071 -10.062 9.529 1.00 42.23 C ATOM 334 C ARG A 21 -3.733 -9.342 9.675 1.00 73.01 C ATOM 335 O ARG A 21 -3.641 -8.134 9.461 1.00 42.31 O ATOM 336 CB ARG A 21 -5.798 -10.088 10.875 1.00 64.34 C ATOM 337 CG ARG A 21 -5.202 -11.072 11.869 1.00 55.21 C ATOM 338 CD ARG A 21 -5.587 -10.721 13.298 1.00 74.13 C ATOM 339 NE ARG A 21 -4.714 -9.696 13.864 1.00 74.41 N ATOM 340 CZ ARG A 21 -4.966 -9.066 15.006 1.00 65.20 C ATOM 341 NH1 ARG A 21 -6.058 -9.355 15.700 1.00 3.20 N ATOM 342 NH2 ARG A 21 -4.123 -8.145 15.456 1.00 21.32 N ATOM 0 H ARG A 21 -5.214 -12.149 9.658 1.00 22.43 H new ATOM 0 HA ARG A 21 -5.680 -9.519 8.806 1.00 42.23 H new ATOM 0 HB2 ARG A 21 -5.777 -9.088 11.309 1.00 64.34 H new ATOM 0 HB3 ARG A 21 -6.845 -10.342 10.708 1.00 64.34 H new ATOM 0 HG2 ARG A 21 -5.545 -12.080 11.635 1.00 55.21 H new ATOM 0 HG3 ARG A 21 -4.116 -11.075 11.774 1.00 55.21 H new ATOM 0 HD2 ARG A 21 -6.619 -10.371 13.320 1.00 74.13 H new ATOM 0 HD3 ARG A 21 -5.542 -11.618 13.916 1.00 74.13 H new ATOM 0 HE ARG A 21 -3.865 -9.451 13.355 1.00 74.41 H new ATOM 0 HH11 ARG A 21 -6.708 -10.063 15.357 1.00 3.20 H new ATOM 0 HH12 ARG A 21 -6.249 -8.869 16.577 1.00 3.20 H new ATOM 0 HH21 ARG A 21 -3.282 -7.921 14.925 1.00 21.32 H new ATOM 0 HH22 ARG A 21 -4.317 -7.661 16.333 1.00 21.32 H new ATOM 356 N ALA A 22 -2.700 -10.093 10.041 1.00 21.12 N ATOM 357 CA ALA A 22 -1.368 -9.527 10.214 1.00 23.55 C ATOM 358 C ALA A 22 -0.958 -8.706 8.997 1.00 4.31 C ATOM 359 O ALA A 22 -0.371 -7.631 9.130 1.00 41.22 O ATOM 360 CB ALA A 22 -0.355 -10.633 10.473 1.00 4.33 C ATOM 0 H ALA A 22 -2.760 -11.095 10.223 1.00 21.12 H new ATOM 0 HA ALA A 22 -1.392 -8.861 11.077 1.00 23.55 H new ATOM 0 HB1 ALA A 22 0.636 -10.197 10.600 1.00 4.33 H new ATOM 0 HB2 ALA A 22 -0.632 -11.175 11.377 1.00 4.33 H new ATOM 0 HB3 ALA A 22 -0.343 -11.320 9.627 1.00 4.33 H new ATOM 366 N LEU A 23 -1.269 -9.218 7.812 1.00 41.35 N ATOM 367 CA LEU A 23 -0.932 -8.531 6.569 1.00 21.13 C ATOM 368 C LEU A 23 -1.996 -7.498 6.212 1.00 21.21 C ATOM 369 O LEU A 23 -1.687 -6.436 5.673 1.00 15.45 O ATOM 370 CB LEU A 23 -0.782 -9.541 5.430 1.00 52.31 C ATOM 371 CG LEU A 23 -0.044 -10.835 5.773 1.00 45.14 C ATOM 372 CD1 LEU A 23 -0.285 -11.887 4.701 1.00 21.14 C ATOM 373 CD2 LEU A 23 1.446 -10.571 5.938 1.00 60.13 C ATOM 0 H LEU A 23 -1.754 -10.106 7.685 1.00 41.35 H new ATOM 0 HA LEU A 23 0.016 -8.013 6.714 1.00 21.13 H new ATOM 0 HB2 LEU A 23 -1.777 -9.799 5.067 1.00 52.31 H new ATOM 0 HB3 LEU A 23 -0.258 -9.055 4.607 1.00 52.31 H new ATOM 0 HG LEU A 23 -0.433 -11.213 6.718 1.00 45.14 H new ATOM 0 HD11 LEU A 23 0.248 -12.801 4.962 1.00 21.14 H new ATOM 0 HD12 LEU A 23 -1.352 -12.097 4.631 1.00 21.14 H new ATOM 0 HD13 LEU A 23 0.076 -11.518 3.741 1.00 21.14 H new ATOM 0 HD21 LEU A 23 1.956 -11.503 6.182 1.00 60.13 H new ATOM 0 HD22 LEU A 23 1.849 -10.169 5.009 1.00 60.13 H new ATOM 0 HD23 LEU A 23 1.601 -9.851 6.742 1.00 60.13 H new ATOM 385 N ALA A 24 -3.249 -7.817 6.518 1.00 73.30 N ATOM 386 CA ALA A 24 -4.358 -6.915 6.233 1.00 34.42 C ATOM 387 C ALA A 24 -4.085 -5.519 6.781 1.00 43.34 C ATOM 388 O ALA A 24 -4.269 -4.521 6.084 1.00 24.33 O ATOM 389 CB ALA A 24 -5.651 -7.468 6.815 1.00 70.41 C ATOM 0 H ALA A 24 -3.522 -8.693 6.963 1.00 73.30 H new ATOM 0 HA ALA A 24 -4.462 -6.838 5.151 1.00 34.42 H new ATOM 0 HB1 ALA A 24 -6.471 -6.784 6.595 1.00 70.41 H new ATOM 0 HB2 ALA A 24 -5.862 -8.442 6.373 1.00 70.41 H new ATOM 0 HB3 ALA A 24 -5.548 -7.575 7.895 1.00 70.41 H new ATOM 395 N GLY A 25 -3.644 -5.455 8.034 1.00 53.23 N ATOM 396 CA GLY A 25 -3.353 -4.175 8.653 1.00 33.13 C ATOM 397 C GLY A 25 -1.948 -3.692 8.354 1.00 30.30 C ATOM 398 O GLY A 25 -1.548 -2.615 8.794 1.00 22.13 O ATOM 0 H GLY A 25 -3.483 -6.266 8.631 1.00 53.23 H new ATOM 0 HA2 GLY A 25 -4.071 -3.434 8.302 1.00 33.13 H new ATOM 0 HA3 GLY A 25 -3.483 -4.259 9.732 1.00 33.13 H new ATOM 402 N ALA A 26 -1.196 -4.492 7.604 1.00 14.24 N ATOM 403 CA ALA A 26 0.172 -4.140 7.247 1.00 41.33 C ATOM 404 C ALA A 26 0.235 -3.531 5.850 1.00 62.21 C ATOM 405 O ALA A 26 1.273 -3.021 5.431 1.00 41.41 O ATOM 406 CB ALA A 26 1.072 -5.364 7.332 1.00 14.13 C ATOM 0 H ALA A 26 -1.512 -5.388 7.232 1.00 14.24 H new ATOM 0 HA ALA A 26 0.526 -3.393 7.957 1.00 41.33 H new ATOM 0 HB1 ALA A 26 2.091 -5.086 7.063 1.00 14.13 H new ATOM 0 HB2 ALA A 26 1.060 -5.755 8.349 1.00 14.13 H new ATOM 0 HB3 ALA A 26 0.711 -6.129 6.645 1.00 14.13 H new ATOM 412 N GLY A 27 -0.883 -3.590 5.132 1.00 21.05 N ATOM 413 CA GLY A 27 -0.932 -3.042 3.790 1.00 54.33 C ATOM 414 C GLY A 27 -0.317 -3.970 2.761 1.00 3.34 C ATOM 415 O GLY A 27 0.287 -3.517 1.788 1.00 53.13 O ATOM 0 H GLY A 27 -1.755 -4.008 5.456 1.00 21.05 H new ATOM 0 HA2 GLY A 27 -1.969 -2.842 3.520 1.00 54.33 H new ATOM 0 HA3 GLY A 27 -0.408 -2.086 3.772 1.00 54.33 H new ATOM 419 N LEU A 28 -0.467 -5.272 2.977 1.00 1.12 N ATOM 420 CA LEU A 28 0.081 -6.267 2.062 1.00 73.21 C ATOM 421 C LEU A 28 -0.915 -7.399 1.830 1.00 63.34 C ATOM 422 O LEU A 28 -1.587 -7.851 2.758 1.00 41.53 O ATOM 423 CB LEU A 28 1.391 -6.830 2.614 1.00 23.42 C ATOM 424 CG LEU A 28 2.071 -6.001 3.704 1.00 25.53 C ATOM 425 CD1 LEU A 28 3.154 -6.815 4.396 1.00 22.00 C ATOM 426 CD2 LEU A 28 2.654 -4.724 3.117 1.00 24.24 C ATOM 0 H LEU A 28 -0.963 -5.663 3.778 1.00 1.12 H new ATOM 0 HA LEU A 28 0.277 -5.778 1.108 1.00 73.21 H new ATOM 0 HB2 LEU A 28 1.196 -7.826 3.011 1.00 23.42 H new ATOM 0 HB3 LEU A 28 2.090 -6.948 1.786 1.00 23.42 H new ATOM 0 HG LEU A 28 1.321 -5.727 4.446 1.00 25.53 H new ATOM 0 HD11 LEU A 28 3.627 -6.209 5.169 1.00 22.00 H new ATOM 0 HD12 LEU A 28 2.709 -7.700 4.851 1.00 22.00 H new ATOM 0 HD13 LEU A 28 3.903 -7.120 3.665 1.00 22.00 H new ATOM 0 HD21 LEU A 28 3.134 -4.146 3.907 1.00 24.24 H new ATOM 0 HD22 LEU A 28 3.390 -4.977 2.354 1.00 24.24 H new ATOM 0 HD23 LEU A 28 1.856 -4.132 2.669 1.00 24.24 H new ATOM 438 N THR A 29 -1.003 -7.857 0.584 1.00 12.34 N ATOM 439 CA THR A 29 -1.915 -8.937 0.230 1.00 51.22 C ATOM 440 C THR A 29 -1.772 -10.114 1.188 1.00 14.31 C ATOM 441 O THR A 29 -0.748 -10.262 1.856 1.00 13.21 O ATOM 442 CB THR A 29 -1.671 -9.429 -1.209 1.00 42.33 C ATOM 443 OG1 THR A 29 -1.515 -8.310 -2.089 1.00 64.15 O ATOM 444 CG2 THR A 29 -2.824 -10.299 -1.687 1.00 25.03 C ATOM 0 H THR A 29 -0.453 -7.496 -0.196 1.00 12.34 H new ATOM 0 HA THR A 29 -2.925 -8.534 0.302 1.00 51.22 H new ATOM 0 HB THR A 29 -0.759 -10.026 -1.215 1.00 42.33 H new ATOM 0 HG1 THR A 29 -1.518 -8.622 -3.018 1.00 64.15 H new ATOM 0 HG21 THR A 29 -2.629 -10.634 -2.706 1.00 25.03 H new ATOM 0 HG22 THR A 29 -2.922 -11.165 -1.032 1.00 25.03 H new ATOM 0 HG23 THR A 29 -3.748 -9.722 -1.666 1.00 25.03 H new ATOM 452 N CYS A 30 -2.804 -10.948 1.250 1.00 20.24 N ATOM 453 CA CYS A 30 -2.793 -12.113 2.128 1.00 72.20 C ATOM 454 C CYS A 30 -3.494 -13.297 1.469 1.00 11.31 C ATOM 455 O CYS A 30 -4.674 -13.221 1.125 1.00 51.04 O ATOM 456 CB CYS A 30 -3.469 -11.781 3.459 1.00 20.21 C ATOM 457 SG CYS A 30 -5.080 -10.978 3.289 1.00 43.50 S ATOM 0 H CYS A 30 -3.658 -10.840 0.703 1.00 20.24 H new ATOM 0 HA CYS A 30 -1.755 -12.387 2.315 1.00 72.20 H new ATOM 0 HB2 CYS A 30 -3.592 -12.701 4.031 1.00 20.21 H new ATOM 0 HB3 CYS A 30 -2.811 -11.132 4.037 1.00 20.21 H new ATOM 0 HG CYS A 30 -5.718 -11.494 2.281 1.00 43.50 H new ATOM 463 N THR A 31 -2.759 -14.391 1.295 1.00 53.13 N ATOM 464 CA THR A 31 -3.309 -15.590 0.674 1.00 1.25 C ATOM 465 C THR A 31 -3.107 -16.811 1.564 1.00 13.03 C ATOM 466 O THR A 31 -1.979 -17.256 1.780 1.00 34.02 O ATOM 467 CB THR A 31 -2.665 -15.857 -0.699 1.00 21.51 C ATOM 468 OG1 THR A 31 -2.556 -14.634 -1.436 1.00 24.45 O ATOM 469 CG2 THR A 31 -3.484 -16.863 -1.494 1.00 51.21 C ATOM 0 H THR A 31 -1.782 -14.472 1.575 1.00 53.13 H new ATOM 0 HA THR A 31 -4.376 -15.415 0.538 1.00 1.25 H new ATOM 0 HB THR A 31 -1.670 -16.271 -0.535 1.00 21.51 H new ATOM 0 HG1 THR A 31 -1.625 -14.501 -1.713 1.00 24.45 H new ATOM 0 HG21 THR A 31 -3.010 -17.036 -2.460 1.00 51.21 H new ATOM 0 HG22 THR A 31 -3.540 -17.802 -0.944 1.00 51.21 H new ATOM 0 HG23 THR A 31 -4.490 -16.472 -1.648 1.00 51.21 H new ATOM 477 N THR A 32 -4.208 -17.351 2.079 1.00 2.21 N ATOM 478 CA THR A 32 -4.152 -18.521 2.946 1.00 4.22 C ATOM 479 C THR A 32 -4.564 -19.782 2.195 1.00 2.25 C ATOM 480 O THR A 32 -5.602 -19.811 1.534 1.00 22.30 O ATOM 481 CB THR A 32 -5.060 -18.351 4.179 1.00 41.23 C ATOM 482 OG1 THR A 32 -6.431 -18.287 3.772 1.00 72.24 O ATOM 483 CG2 THR A 32 -4.696 -17.091 4.950 1.00 64.03 C ATOM 0 H THR A 32 -5.149 -16.996 1.910 1.00 2.21 H new ATOM 0 HA THR A 32 -3.118 -18.620 3.277 1.00 4.22 H new ATOM 0 HB THR A 32 -4.914 -19.212 4.831 1.00 41.23 H new ATOM 0 HG1 THR A 32 -6.526 -18.682 2.880 1.00 72.24 H new ATOM 0 HG21 THR A 32 -5.351 -16.992 5.816 1.00 64.03 H new ATOM 0 HG22 THR A 32 -3.660 -17.155 5.283 1.00 64.03 H new ATOM 0 HG23 THR A 32 -4.816 -16.222 4.304 1.00 64.03 H new ATOM 491 N PHE A 33 -3.745 -20.823 2.302 1.00 2.24 N ATOM 492 CA PHE A 33 -4.025 -22.088 1.633 1.00 44.32 C ATOM 493 C PHE A 33 -4.253 -23.202 2.649 1.00 23.55 C ATOM 494 O PHE A 33 -4.390 -22.947 3.845 1.00 13.22 O ATOM 495 CB PHE A 33 -2.871 -22.461 0.700 1.00 60.33 C ATOM 496 CG PHE A 33 -2.641 -21.463 -0.398 1.00 44.52 C ATOM 497 CD1 PHE A 33 -3.437 -21.464 -1.532 1.00 44.23 C ATOM 498 CD2 PHE A 33 -1.628 -20.523 -0.296 1.00 45.34 C ATOM 499 CE1 PHE A 33 -3.228 -20.546 -2.544 1.00 44.13 C ATOM 500 CE2 PHE A 33 -1.414 -19.602 -1.305 1.00 31.20 C ATOM 501 CZ PHE A 33 -2.214 -19.615 -2.431 1.00 12.52 C ATOM 0 H PHE A 33 -2.882 -20.815 2.846 1.00 2.24 H new ATOM 0 HA PHE A 33 -4.934 -21.966 1.045 1.00 44.32 H new ATOM 0 HB2 PHE A 33 -1.958 -22.561 1.287 1.00 60.33 H new ATOM 0 HB3 PHE A 33 -3.073 -23.436 0.257 1.00 60.33 H new ATOM 0 HD1 PHE A 33 -4.230 -22.191 -1.626 1.00 44.23 H new ATOM 0 HD2 PHE A 33 -0.999 -20.510 0.581 1.00 45.34 H new ATOM 0 HE1 PHE A 33 -3.857 -20.557 -3.422 1.00 44.13 H new ATOM 0 HE2 PHE A 33 -0.622 -18.873 -1.213 1.00 31.20 H new ATOM 0 HZ PHE A 33 -2.047 -18.898 -3.222 1.00 12.52 H new ATOM 511 N GLU A 34 -4.292 -24.439 2.164 1.00 61.42 N ATOM 512 CA GLU A 34 -4.505 -25.593 3.030 1.00 42.01 C ATOM 513 C GLU A 34 -4.070 -26.881 2.337 1.00 75.23 C ATOM 514 O GLU A 34 -4.886 -27.766 2.082 1.00 62.44 O ATOM 515 CB GLU A 34 -5.977 -25.690 3.435 1.00 72.15 C ATOM 516 CG GLU A 34 -6.939 -25.583 2.263 1.00 62.41 C ATOM 517 CD GLU A 34 -7.866 -26.779 2.158 1.00 10.35 C ATOM 518 OE1 GLU A 34 -8.834 -26.850 2.945 1.00 65.24 O ATOM 519 OE2 GLU A 34 -7.624 -27.643 1.290 1.00 44.43 O ATOM 0 H GLU A 34 -4.179 -24.668 1.176 1.00 61.42 H new ATOM 0 HA GLU A 34 -3.898 -25.460 3.925 1.00 42.01 H new ATOM 0 HB2 GLU A 34 -6.143 -26.639 3.945 1.00 72.15 H new ATOM 0 HB3 GLU A 34 -6.201 -24.900 4.151 1.00 72.15 H new ATOM 0 HG2 GLU A 34 -7.533 -24.675 2.367 1.00 62.41 H new ATOM 0 HG3 GLU A 34 -6.370 -25.487 1.338 1.00 62.41 H new ATOM 526 N ASN A 35 -2.780 -26.977 2.034 1.00 22.43 N ATOM 527 CA ASN A 35 -2.236 -28.156 1.370 1.00 73.24 C ATOM 528 C ASN A 35 -0.745 -27.987 1.095 1.00 52.21 C ATOM 529 O ASN A 35 0.088 -28.670 1.689 1.00 73.43 O ATOM 530 CB ASN A 35 -2.981 -28.417 0.059 1.00 73.21 C ATOM 531 CG ASN A 35 -3.566 -29.815 -0.005 1.00 53.22 C ATOM 532 OD1 ASN A 35 -3.112 -30.722 0.692 1.00 72.44 O ATOM 533 ND2 ASN A 35 -4.580 -29.994 -0.845 1.00 4.03 N ATOM 0 H ASN A 35 -2.092 -26.252 2.238 1.00 22.43 H new ATOM 0 HA ASN A 35 -2.370 -29.010 2.034 1.00 73.24 H new ATOM 0 HB2 ASN A 35 -3.781 -27.686 -0.053 1.00 73.21 H new ATOM 0 HB3 ASN A 35 -2.298 -28.273 -0.779 1.00 73.21 H new ATOM 0 HD21 ASN A 35 -5.015 -30.913 -0.931 1.00 4.03 H new ATOM 0 HD22 ASN A 35 -4.924 -29.213 -1.403 1.00 4.03 H new ATOM 540 N GLY A 36 -0.416 -27.070 0.190 1.00 2.43 N ATOM 541 CA GLY A 36 0.974 -26.826 -0.147 1.00 64.22 C ATOM 542 C GLY A 36 1.228 -26.889 -1.640 1.00 43.02 C ATOM 543 O GLY A 36 1.676 -25.914 -2.242 1.00 2.12 O ATOM 0 H GLY A 36 -1.087 -26.492 -0.316 1.00 2.43 H new ATOM 0 HA2 GLY A 36 1.269 -25.846 0.228 1.00 64.22 H new ATOM 0 HA3 GLY A 36 1.601 -27.562 0.357 1.00 64.22 H new ATOM 547 N ASN A 37 0.943 -28.040 -2.240 1.00 32.44 N ATOM 548 CA ASN A 37 1.145 -28.227 -3.672 1.00 22.43 C ATOM 549 C ASN A 37 0.356 -27.196 -4.472 1.00 12.21 C ATOM 550 O ASN A 37 0.745 -26.824 -5.578 1.00 63.44 O ATOM 551 CB ASN A 37 0.728 -29.640 -4.087 1.00 14.42 C ATOM 552 CG ASN A 37 0.507 -29.761 -5.582 1.00 64.33 C ATOM 553 OD1 ASN A 37 1.456 -29.924 -6.349 1.00 44.35 O ATOM 554 ND2 ASN A 37 -0.750 -29.683 -6.003 1.00 44.13 N ATOM 0 H ASN A 37 0.571 -28.858 -1.756 1.00 32.44 H new ATOM 0 HA ASN A 37 2.205 -28.091 -3.885 1.00 22.43 H new ATOM 0 HB2 ASN A 37 1.496 -30.348 -3.777 1.00 14.42 H new ATOM 0 HB3 ASN A 37 -0.188 -29.914 -3.564 1.00 14.42 H new ATOM 0 HD21 ASN A 37 -0.960 -29.759 -6.998 1.00 44.13 H new ATOM 0 HD22 ASN A 37 -1.505 -29.547 -5.331 1.00 44.13 H new ATOM 561 N GLU A 38 -0.755 -26.737 -3.903 1.00 61.22 N ATOM 562 CA GLU A 38 -1.599 -25.749 -4.564 1.00 43.41 C ATOM 563 C GLU A 38 -0.971 -24.360 -4.488 1.00 14.32 C ATOM 564 O GLU A 38 -1.371 -23.445 -5.209 1.00 21.22 O ATOM 565 CB GLU A 38 -2.991 -25.727 -3.929 1.00 64.20 C ATOM 566 CG GLU A 38 -2.967 -25.585 -2.416 1.00 73.24 C ATOM 567 CD GLU A 38 -4.336 -25.282 -1.838 1.00 22.43 C ATOM 568 OE1 GLU A 38 -5.252 -24.954 -2.620 1.00 30.10 O ATOM 569 OE2 GLU A 38 -4.490 -25.374 -0.602 1.00 31.23 O ATOM 0 H GLU A 38 -1.091 -27.034 -2.987 1.00 61.22 H new ATOM 0 HA GLU A 38 -1.691 -26.031 -5.613 1.00 43.41 H new ATOM 0 HB2 GLU A 38 -3.562 -24.902 -4.354 1.00 64.20 H new ATOM 0 HB3 GLU A 38 -3.515 -26.646 -4.191 1.00 64.20 H new ATOM 0 HG2 GLU A 38 -2.586 -26.506 -1.974 1.00 73.24 H new ATOM 0 HG3 GLU A 38 -2.276 -24.789 -2.140 1.00 73.24 H new ATOM 576 N VAL A 39 0.014 -24.209 -3.608 1.00 72.21 N ATOM 577 CA VAL A 39 0.697 -22.933 -3.437 1.00 5.11 C ATOM 578 C VAL A 39 1.871 -22.804 -4.402 1.00 33.11 C ATOM 579 O VAL A 39 2.115 -21.734 -4.961 1.00 15.22 O ATOM 580 CB VAL A 39 1.211 -22.761 -1.995 1.00 45.52 C ATOM 581 CG1 VAL A 39 1.582 -21.309 -1.730 1.00 63.32 C ATOM 582 CG2 VAL A 39 0.170 -23.244 -0.997 1.00 61.03 C ATOM 0 H VAL A 39 0.356 -24.955 -3.003 1.00 72.21 H new ATOM 0 HA VAL A 39 -0.033 -22.152 -3.651 1.00 5.11 H new ATOM 0 HB VAL A 39 2.108 -23.369 -1.873 1.00 45.52 H new ATOM 0 HG11 VAL A 39 1.943 -21.207 -0.707 1.00 63.32 H new ATOM 0 HG12 VAL A 39 2.365 -21.001 -2.423 1.00 63.32 H new ATOM 0 HG13 VAL A 39 0.704 -20.678 -1.870 1.00 63.32 H new ATOM 0 HG21 VAL A 39 0.550 -23.115 0.016 1.00 61.03 H new ATOM 0 HG22 VAL A 39 -0.746 -22.665 -1.118 1.00 61.03 H new ATOM 0 HG23 VAL A 39 -0.042 -24.299 -1.174 1.00 61.03 H new ATOM 592 N LEU A 40 2.595 -23.901 -4.594 1.00 34.21 N ATOM 593 CA LEU A 40 3.744 -23.912 -5.493 1.00 35.12 C ATOM 594 C LEU A 40 3.369 -23.353 -6.862 1.00 21.32 C ATOM 595 O LEU A 40 4.104 -22.552 -7.438 1.00 70.02 O ATOM 596 CB LEU A 40 4.287 -25.334 -5.641 1.00 34.41 C ATOM 597 CG LEU A 40 4.936 -25.668 -6.984 1.00 72.55 C ATOM 598 CD1 LEU A 40 6.073 -24.704 -7.282 1.00 51.45 C ATOM 599 CD2 LEU A 40 5.437 -27.105 -6.992 1.00 22.21 C ATOM 0 H LEU A 40 2.407 -24.794 -4.139 1.00 34.21 H new ATOM 0 HA LEU A 40 4.518 -23.278 -5.062 1.00 35.12 H new ATOM 0 HB2 LEU A 40 5.021 -25.505 -4.853 1.00 34.41 H new ATOM 0 HB3 LEU A 40 3.468 -26.034 -5.472 1.00 34.41 H new ATOM 0 HG LEU A 40 4.183 -25.562 -7.765 1.00 72.55 H new ATOM 0 HD11 LEU A 40 6.523 -24.958 -8.242 1.00 51.45 H new ATOM 0 HD12 LEU A 40 5.686 -23.686 -7.320 1.00 51.45 H new ATOM 0 HD13 LEU A 40 6.827 -24.777 -6.498 1.00 51.45 H new ATOM 0 HD21 LEU A 40 5.896 -27.325 -7.956 1.00 22.21 H new ATOM 0 HD22 LEU A 40 6.174 -27.238 -6.200 1.00 22.21 H new ATOM 0 HD23 LEU A 40 4.600 -27.783 -6.826 1.00 22.21 H new ATOM 611 N ALA A 41 2.220 -23.781 -7.376 1.00 3.55 N ATOM 612 CA ALA A 41 1.746 -23.320 -8.675 1.00 1.35 C ATOM 613 C ALA A 41 1.295 -21.865 -8.610 1.00 12.54 C ATOM 614 O ALA A 41 1.433 -21.118 -9.578 1.00 73.34 O ATOM 615 CB ALA A 41 0.611 -24.205 -9.166 1.00 74.03 C ATOM 0 H ALA A 41 1.601 -24.446 -6.913 1.00 3.55 H new ATOM 0 HA ALA A 41 2.574 -23.385 -9.381 1.00 1.35 H new ATOM 0 HB1 ALA A 41 0.266 -23.850 -10.137 1.00 74.03 H new ATOM 0 HB2 ALA A 41 0.965 -25.232 -9.260 1.00 74.03 H new ATOM 0 HB3 ALA A 41 -0.213 -24.169 -8.453 1.00 74.03 H new ATOM 621 N ALA A 42 0.755 -21.468 -7.462 1.00 34.01 N ATOM 622 CA ALA A 42 0.284 -20.102 -7.271 1.00 3.32 C ATOM 623 C ALA A 42 1.404 -19.096 -7.517 1.00 72.24 C ATOM 624 O ALA A 42 1.161 -17.983 -7.986 1.00 74.20 O ATOM 625 CB ALA A 42 -0.283 -19.930 -5.869 1.00 42.14 C ATOM 0 H ALA A 42 0.633 -22.073 -6.650 1.00 34.01 H new ATOM 0 HA ALA A 42 -0.507 -19.912 -7.997 1.00 3.32 H new ATOM 0 HB1 ALA A 42 -0.631 -18.905 -5.740 1.00 42.14 H new ATOM 0 HB2 ALA A 42 -1.117 -20.617 -5.727 1.00 42.14 H new ATOM 0 HB3 ALA A 42 0.493 -20.145 -5.134 1.00 42.14 H new ATOM 631 N LEU A 43 2.631 -19.494 -7.199 1.00 14.13 N ATOM 632 CA LEU A 43 3.789 -18.627 -7.385 1.00 53.43 C ATOM 633 C LEU A 43 3.967 -18.265 -8.856 1.00 53.23 C ATOM 634 O LEU A 43 4.370 -17.150 -9.187 1.00 62.31 O ATOM 635 CB LEU A 43 5.052 -19.310 -6.860 1.00 23.21 C ATOM 636 CG LEU A 43 4.891 -20.123 -5.575 1.00 11.23 C ATOM 637 CD1 LEU A 43 6.223 -20.721 -5.150 1.00 43.43 C ATOM 638 CD2 LEU A 43 4.315 -19.256 -4.464 1.00 43.23 C ATOM 0 H LEU A 43 2.850 -20.412 -6.811 1.00 14.13 H new ATOM 0 HA LEU A 43 3.619 -17.709 -6.822 1.00 53.43 H new ATOM 0 HB2 LEU A 43 5.434 -19.970 -7.638 1.00 23.21 H new ATOM 0 HB3 LEU A 43 5.810 -18.546 -6.690 1.00 23.21 H new ATOM 0 HG LEU A 43 4.196 -20.940 -5.770 1.00 11.23 H new ATOM 0 HD11 LEU A 43 6.088 -21.296 -4.234 1.00 43.43 H new ATOM 0 HD12 LEU A 43 6.596 -21.376 -5.938 1.00 43.43 H new ATOM 0 HD13 LEU A 43 6.941 -19.921 -4.974 1.00 43.43 H new ATOM 0 HD21 LEU A 43 4.207 -19.851 -3.557 1.00 43.23 H new ATOM 0 HD22 LEU A 43 4.986 -18.419 -4.271 1.00 43.23 H new ATOM 0 HD23 LEU A 43 3.339 -18.877 -4.767 1.00 43.23 H new ATOM 650 N ALA A 44 3.661 -19.214 -9.735 1.00 0.10 N ATOM 651 CA ALA A 44 3.783 -18.994 -11.171 1.00 1.33 C ATOM 652 C ALA A 44 2.841 -17.890 -11.639 1.00 35.20 C ATOM 653 O ALA A 44 2.981 -17.369 -12.745 1.00 51.12 O ATOM 654 CB ALA A 44 3.506 -20.284 -11.928 1.00 11.11 C ATOM 0 H ALA A 44 3.327 -20.143 -9.478 1.00 0.10 H new ATOM 0 HA ALA A 44 4.805 -18.676 -11.380 1.00 1.33 H new ATOM 0 HB1 ALA A 44 3.601 -20.105 -12.999 1.00 11.11 H new ATOM 0 HB2 ALA A 44 4.223 -21.046 -11.623 1.00 11.11 H new ATOM 0 HB3 ALA A 44 2.496 -20.627 -11.705 1.00 11.11 H new ATOM 660 N SER A 45 1.880 -17.540 -10.790 1.00 55.53 N ATOM 661 CA SER A 45 0.911 -16.501 -11.120 1.00 14.34 C ATOM 662 C SER A 45 1.527 -15.114 -10.964 1.00 40.22 C ATOM 663 O SER A 45 1.820 -14.437 -11.950 1.00 75.13 O ATOM 664 CB SER A 45 -0.325 -16.625 -10.227 1.00 13.15 C ATOM 665 OG SER A 45 -0.910 -17.911 -10.340 1.00 45.01 O ATOM 0 H SER A 45 1.752 -17.960 -9.869 1.00 55.53 H new ATOM 0 HA SER A 45 0.614 -16.633 -12.160 1.00 14.34 H new ATOM 0 HB2 SER A 45 -0.048 -16.438 -9.189 1.00 13.15 H new ATOM 0 HB3 SER A 45 -1.055 -15.864 -10.504 1.00 13.15 H new ATOM 0 HG SER A 45 -1.697 -17.965 -9.758 1.00 45.01 H new ATOM 671 N LYS A 46 1.722 -14.696 -9.718 1.00 30.30 N ATOM 672 CA LYS A 46 2.305 -13.391 -9.430 1.00 74.11 C ATOM 673 C LYS A 46 3.596 -13.536 -8.632 1.00 1.14 C ATOM 674 O LYS A 46 4.380 -12.592 -8.521 1.00 73.31 O ATOM 675 CB LYS A 46 1.309 -12.524 -8.656 1.00 74.54 C ATOM 676 CG LYS A 46 0.714 -13.218 -7.443 1.00 11.54 C ATOM 677 CD LYS A 46 0.716 -12.309 -6.225 1.00 11.31 C ATOM 678 CE LYS A 46 -0.658 -11.704 -5.978 1.00 62.14 C ATOM 679 NZ LYS A 46 -1.666 -12.742 -5.626 1.00 64.21 N ATOM 0 H LYS A 46 1.484 -15.243 -8.890 1.00 30.30 H new ATOM 0 HA LYS A 46 2.538 -12.908 -10.379 1.00 74.11 H new ATOM 0 HB2 LYS A 46 1.809 -11.611 -8.333 1.00 74.54 H new ATOM 0 HB3 LYS A 46 0.502 -12.226 -9.326 1.00 74.54 H new ATOM 0 HG2 LYS A 46 -0.307 -13.529 -7.665 1.00 11.54 H new ATOM 0 HG3 LYS A 46 1.282 -14.122 -7.225 1.00 11.54 H new ATOM 0 HD2 LYS A 46 1.028 -12.875 -5.348 1.00 11.31 H new ATOM 0 HD3 LYS A 46 1.446 -11.512 -6.366 1.00 11.31 H new ATOM 0 HE2 LYS A 46 -0.593 -10.973 -5.172 1.00 62.14 H new ATOM 0 HE3 LYS A 46 -0.984 -11.168 -6.869 1.00 62.14 H new ATOM 0 HZ1 LYS A 46 -2.596 -12.294 -5.499 1.00 64.21 H new ATOM 0 HZ2 LYS A 46 -1.722 -13.445 -6.391 1.00 64.21 H new ATOM 0 HZ3 LYS A 46 -1.385 -13.213 -4.743 1.00 64.21 H new ATOM 693 N THR A 47 3.814 -14.724 -8.077 1.00 34.42 N ATOM 694 CA THR A 47 5.010 -14.993 -7.289 1.00 10.30 C ATOM 695 C THR A 47 5.074 -14.091 -6.062 1.00 12.04 C ATOM 696 O THR A 47 5.341 -12.893 -6.155 1.00 54.30 O ATOM 697 CB THR A 47 6.289 -14.795 -8.124 1.00 51.24 C ATOM 698 OG1 THR A 47 5.956 -14.692 -9.513 1.00 53.32 O ATOM 699 CG2 THR A 47 7.257 -15.949 -7.914 1.00 73.42 C ATOM 0 H THR A 47 3.177 -15.516 -8.159 1.00 34.42 H new ATOM 0 HA THR A 47 4.951 -16.033 -6.970 1.00 10.30 H new ATOM 0 HB THR A 47 6.771 -13.874 -7.797 1.00 51.24 H new ATOM 0 HG1 THR A 47 5.440 -15.480 -9.785 1.00 53.32 H new ATOM 0 HG21 THR A 47 8.152 -15.787 -8.514 1.00 73.42 H new ATOM 0 HG22 THR A 47 7.531 -16.007 -6.861 1.00 73.42 H new ATOM 0 HG23 THR A 47 6.782 -16.882 -8.217 1.00 73.42 H new ATOM 707 N PRO A 48 4.824 -14.678 -4.882 1.00 1.24 N ATOM 708 CA PRO A 48 4.849 -13.945 -3.612 1.00 73.02 C ATOM 709 C PRO A 48 6.259 -13.522 -3.214 1.00 54.23 C ATOM 710 O PRO A 48 7.236 -14.193 -3.547 1.00 74.00 O ATOM 711 CB PRO A 48 4.291 -14.956 -2.608 1.00 34.51 C ATOM 712 CG PRO A 48 4.588 -16.288 -3.206 1.00 42.01 C ATOM 713 CD PRO A 48 4.499 -16.102 -4.696 1.00 2.14 C ATOM 0 HA PRO A 48 4.279 -13.018 -3.666 1.00 73.02 H new ATOM 0 HB2 PRO A 48 4.763 -14.846 -1.632 1.00 34.51 H new ATOM 0 HB3 PRO A 48 3.220 -14.818 -2.461 1.00 34.51 H new ATOM 0 HG2 PRO A 48 5.580 -16.634 -2.914 1.00 42.01 H new ATOM 0 HG3 PRO A 48 3.875 -17.038 -2.863 1.00 42.01 H new ATOM 0 HD2 PRO A 48 5.201 -16.747 -5.224 1.00 2.14 H new ATOM 0 HD3 PRO A 48 3.504 -16.339 -5.072 1.00 2.14 H new ATOM 721 N ASP A 49 6.357 -12.406 -2.501 1.00 11.33 N ATOM 722 CA ASP A 49 7.648 -11.894 -2.056 1.00 10.30 C ATOM 723 C ASP A 49 8.114 -12.616 -0.796 1.00 11.24 C ATOM 724 O ASP A 49 9.224 -12.392 -0.314 1.00 5.12 O ATOM 725 CB ASP A 49 7.561 -10.389 -1.794 1.00 63.33 C ATOM 726 CG ASP A 49 8.867 -9.675 -2.083 1.00 23.44 C ATOM 727 OD1 ASP A 49 9.874 -9.987 -1.412 1.00 54.41 O ATOM 728 OD2 ASP A 49 8.883 -8.805 -2.978 1.00 51.21 O ATOM 0 H ASP A 49 5.558 -11.838 -2.219 1.00 11.33 H new ATOM 0 HA ASP A 49 8.375 -12.076 -2.847 1.00 10.30 H new ATOM 0 HB2 ASP A 49 6.772 -9.961 -2.412 1.00 63.33 H new ATOM 0 HB3 ASP A 49 7.280 -10.220 -0.755 1.00 63.33 H new ATOM 733 N VAL A 50 7.257 -13.483 -0.265 1.00 50.32 N ATOM 734 CA VAL A 50 7.581 -14.238 0.939 1.00 15.23 C ATOM 735 C VAL A 50 6.444 -15.181 1.319 1.00 40.53 C ATOM 736 O VAL A 50 5.270 -14.869 1.115 1.00 12.21 O ATOM 737 CB VAL A 50 7.874 -13.302 2.127 1.00 45.24 C ATOM 738 CG1 VAL A 50 6.701 -12.366 2.372 1.00 12.03 C ATOM 739 CG2 VAL A 50 8.193 -14.110 3.375 1.00 2.14 C ATOM 0 H VAL A 50 6.333 -13.680 -0.650 1.00 50.32 H new ATOM 0 HA VAL A 50 8.475 -14.821 0.716 1.00 15.23 H new ATOM 0 HB VAL A 50 8.746 -12.695 1.883 1.00 45.24 H new ATOM 0 HG11 VAL A 50 6.927 -11.713 3.215 1.00 12.03 H new ATOM 0 HG12 VAL A 50 6.525 -11.762 1.482 1.00 12.03 H new ATOM 0 HG13 VAL A 50 5.809 -12.951 2.595 1.00 12.03 H new ATOM 0 HG21 VAL A 50 8.397 -13.433 4.204 1.00 2.14 H new ATOM 0 HG22 VAL A 50 7.342 -14.744 3.625 1.00 2.14 H new ATOM 0 HG23 VAL A 50 9.068 -14.733 3.191 1.00 2.14 H new ATOM 749 N LEU A 51 6.800 -16.335 1.872 1.00 51.41 N ATOM 750 CA LEU A 51 5.810 -17.324 2.281 1.00 34.43 C ATOM 751 C LEU A 51 5.975 -17.683 3.755 1.00 54.42 C ATOM 752 O LEU A 51 7.059 -17.540 4.322 1.00 53.21 O ATOM 753 CB LEU A 51 5.933 -18.584 1.422 1.00 53.33 C ATOM 754 CG LEU A 51 4.647 -19.065 0.749 1.00 71.42 C ATOM 755 CD1 LEU A 51 4.945 -19.624 -0.634 1.00 20.32 C ATOM 756 CD2 LEU A 51 3.953 -20.111 1.610 1.00 3.54 C ATOM 0 H LEU A 51 7.767 -16.609 2.047 1.00 51.41 H new ATOM 0 HA LEU A 51 4.820 -16.890 2.140 1.00 34.43 H new ATOM 0 HB2 LEU A 51 6.678 -18.400 0.648 1.00 53.33 H new ATOM 0 HB3 LEU A 51 6.316 -19.390 2.048 1.00 53.33 H new ATOM 0 HG LEU A 51 3.977 -18.212 0.638 1.00 71.42 H new ATOM 0 HD11 LEU A 51 4.018 -19.961 -1.098 1.00 20.32 H new ATOM 0 HD12 LEU A 51 5.397 -18.847 -1.251 1.00 20.32 H new ATOM 0 HD13 LEU A 51 5.633 -20.464 -0.546 1.00 20.32 H new ATOM 0 HD21 LEU A 51 3.040 -20.442 1.115 1.00 3.54 H new ATOM 0 HD22 LEU A 51 4.617 -20.963 1.753 1.00 3.54 H new ATOM 0 HD23 LEU A 51 3.704 -19.678 2.579 1.00 3.54 H new ATOM 768 N LEU A 52 4.894 -18.150 4.369 1.00 33.41 N ATOM 769 CA LEU A 52 4.919 -18.532 5.777 1.00 54.11 C ATOM 770 C LEU A 52 4.241 -19.882 5.987 1.00 22.32 C ATOM 771 O LEU A 52 3.080 -19.949 6.390 1.00 21.54 O ATOM 772 CB LEU A 52 4.228 -17.464 6.627 1.00 21.23 C ATOM 773 CG LEU A 52 5.112 -16.313 7.107 1.00 4.31 C ATOM 774 CD1 LEU A 52 5.464 -15.392 5.949 1.00 2.42 C ATOM 775 CD2 LEU A 52 4.421 -15.536 8.218 1.00 54.13 C ATOM 0 H LEU A 52 3.989 -18.273 3.915 1.00 33.41 H new ATOM 0 HA LEU A 52 5.961 -18.617 6.087 1.00 54.11 H new ATOM 0 HB2 LEU A 52 3.403 -17.046 6.050 1.00 21.23 H new ATOM 0 HB3 LEU A 52 3.792 -17.949 7.500 1.00 21.23 H new ATOM 0 HG LEU A 52 6.036 -16.732 7.505 1.00 4.31 H new ATOM 0 HD11 LEU A 52 6.094 -14.579 6.309 1.00 2.42 H new ATOM 0 HD12 LEU A 52 6.001 -15.956 5.186 1.00 2.42 H new ATOM 0 HD13 LEU A 52 4.550 -14.981 5.520 1.00 2.42 H new ATOM 0 HD21 LEU A 52 5.065 -14.721 8.547 1.00 54.13 H new ATOM 0 HD22 LEU A 52 3.481 -15.128 7.846 1.00 54.13 H new ATOM 0 HD23 LEU A 52 4.221 -16.202 9.058 1.00 54.13 H new ATOM 787 N SER A 53 4.975 -20.956 5.713 1.00 4.13 N ATOM 788 CA SER A 53 4.445 -22.305 5.871 1.00 62.10 C ATOM 789 C SER A 53 4.322 -22.671 7.347 1.00 71.31 C ATOM 790 O SER A 53 5.149 -22.275 8.168 1.00 44.45 O ATOM 791 CB SER A 53 5.344 -23.316 5.156 1.00 3.14 C ATOM 792 OG SER A 53 4.718 -24.584 5.072 1.00 64.45 O ATOM 0 H SER A 53 5.939 -20.918 5.380 1.00 4.13 H new ATOM 0 HA SER A 53 3.451 -22.333 5.424 1.00 62.10 H new ATOM 0 HB2 SER A 53 5.578 -22.955 4.154 1.00 3.14 H new ATOM 0 HB3 SER A 53 6.290 -23.408 5.690 1.00 3.14 H new ATOM 0 HG SER A 53 5.312 -25.212 4.610 1.00 64.45 H new ATOM 798 N ASP A 54 3.283 -23.431 7.677 1.00 52.55 N ATOM 799 CA ASP A 54 3.050 -23.852 9.053 1.00 61.20 C ATOM 800 C ASP A 54 3.394 -25.327 9.235 1.00 25.11 C ATOM 801 O ASP A 54 3.680 -25.775 10.346 1.00 35.31 O ATOM 802 CB ASP A 54 1.593 -23.604 9.446 1.00 51.34 C ATOM 803 CG ASP A 54 1.304 -24.001 10.880 1.00 51.21 C ATOM 804 OD1 ASP A 54 2.190 -23.810 11.739 1.00 65.12 O ATOM 805 OD2 ASP A 54 0.191 -24.501 11.144 1.00 71.34 O ATOM 0 H ASP A 54 2.589 -23.768 7.010 1.00 52.55 H new ATOM 0 HA ASP A 54 3.698 -23.263 9.702 1.00 61.20 H new ATOM 0 HB2 ASP A 54 1.358 -22.548 9.310 1.00 51.34 H new ATOM 0 HB3 ASP A 54 0.939 -24.165 8.778 1.00 51.34 H new ATOM 810 N ILE A 55 3.365 -26.076 8.138 1.00 31.11 N ATOM 811 CA ILE A 55 3.674 -27.500 8.177 1.00 31.13 C ATOM 812 C ILE A 55 2.623 -28.269 8.970 1.00 33.04 C ATOM 813 O ILE A 55 2.817 -28.571 10.148 1.00 13.31 O ATOM 814 CB ILE A 55 5.060 -27.759 8.798 1.00 55.51 C ATOM 815 CG1 ILE A 55 6.099 -26.814 8.191 1.00 53.24 C ATOM 816 CG2 ILE A 55 5.470 -29.209 8.592 1.00 51.01 C ATOM 817 CD1 ILE A 55 7.477 -26.963 8.795 1.00 3.12 C ATOM 0 H ILE A 55 3.131 -25.720 7.211 1.00 31.11 H new ATOM 0 HA ILE A 55 3.676 -27.851 7.145 1.00 31.13 H new ATOM 0 HB ILE A 55 5.004 -27.567 9.869 1.00 55.51 H new ATOM 0 HG12 ILE A 55 6.160 -26.995 7.118 1.00 53.24 H new ATOM 0 HG13 ILE A 55 5.763 -25.785 8.322 1.00 53.24 H new ATOM 0 HG21 ILE A 55 6.451 -29.376 9.036 1.00 51.01 H new ATOM 0 HG22 ILE A 55 4.740 -29.865 9.067 1.00 51.01 H new ATOM 0 HG23 ILE A 55 5.513 -29.427 7.525 1.00 51.01 H new ATOM 0 HD11 ILE A 55 8.162 -26.262 8.317 1.00 3.12 H new ATOM 0 HD12 ILE A 55 7.431 -26.753 9.864 1.00 3.12 H new ATOM 0 HD13 ILE A 55 7.834 -27.981 8.641 1.00 3.12 H new ATOM 920 N GLY A 62 5.959 -30.490 5.190 1.00 61.20 N ATOM 921 CA GLY A 62 6.174 -29.055 5.195 1.00 62.04 C ATOM 922 C GLY A 62 7.353 -28.643 4.335 1.00 12.42 C ATOM 923 O GLY A 62 7.233 -27.757 3.487 1.00 32.41 O ATOM 0 HA2 GLY A 62 5.274 -28.555 4.837 1.00 62.04 H new ATOM 0 HA3 GLY A 62 6.340 -28.719 6.219 1.00 62.04 H new ATOM 927 N LEU A 63 8.496 -29.283 4.554 1.00 35.44 N ATOM 928 CA LEU A 63 9.702 -28.977 3.794 1.00 25.33 C ATOM 929 C LEU A 63 9.686 -29.679 2.440 1.00 55.41 C ATOM 930 O LEU A 63 10.469 -29.350 1.550 1.00 41.12 O ATOM 931 CB LEU A 63 10.945 -29.395 4.582 1.00 21.34 C ATOM 932 CG LEU A 63 10.808 -30.660 5.431 1.00 72.13 C ATOM 933 CD1 LEU A 63 10.285 -31.813 4.589 1.00 71.54 C ATOM 934 CD2 LEU A 63 12.142 -31.023 6.066 1.00 31.43 C ATOM 0 H LEU A 63 8.613 -30.017 5.252 1.00 35.44 H new ATOM 0 HA LEU A 63 9.731 -27.901 3.624 1.00 25.33 H new ATOM 0 HB2 LEU A 63 11.765 -29.541 3.878 1.00 21.34 H new ATOM 0 HB3 LEU A 63 11.230 -28.571 5.237 1.00 21.34 H new ATOM 0 HG LEU A 63 10.091 -30.464 6.228 1.00 72.13 H new ATOM 0 HD11 LEU A 63 10.194 -32.705 5.209 1.00 71.54 H new ATOM 0 HD12 LEU A 63 9.308 -31.553 4.182 1.00 71.54 H new ATOM 0 HD13 LEU A 63 10.978 -32.010 3.771 1.00 71.54 H new ATOM 0 HD21 LEU A 63 12.026 -31.925 6.666 1.00 31.43 H new ATOM 0 HD22 LEU A 63 12.881 -31.200 5.284 1.00 31.43 H new ATOM 0 HD23 LEU A 63 12.477 -30.204 6.703 1.00 31.43 H new ATOM 946 N ALA A 64 8.786 -30.645 2.291 1.00 35.10 N ATOM 947 CA ALA A 64 8.663 -31.390 1.044 1.00 45.21 C ATOM 948 C ALA A 64 8.632 -30.449 -0.156 1.00 61.51 C ATOM 949 O ALA A 64 9.479 -30.534 -1.046 1.00 44.32 O ATOM 950 CB ALA A 64 7.415 -32.259 1.068 1.00 21.25 C ATOM 0 H ALA A 64 8.131 -30.930 3.019 1.00 35.10 H new ATOM 0 HA ALA A 64 9.537 -32.033 0.946 1.00 45.21 H new ATOM 0 HB1 ALA A 64 7.337 -32.809 0.130 1.00 21.25 H new ATOM 0 HB2 ALA A 64 7.478 -32.963 1.898 1.00 21.25 H new ATOM 0 HB3 ALA A 64 6.535 -31.628 1.193 1.00 21.25 H new ATOM 956 N LEU A 65 7.650 -29.555 -0.175 1.00 44.21 N ATOM 957 CA LEU A 65 7.508 -28.598 -1.267 1.00 61.12 C ATOM 958 C LEU A 65 8.389 -27.374 -1.038 1.00 24.45 C ATOM 959 O LEU A 65 8.762 -26.678 -1.983 1.00 21.12 O ATOM 960 CB LEU A 65 6.047 -28.169 -1.408 1.00 53.04 C ATOM 961 CG LEU A 65 5.595 -27.019 -0.507 1.00 73.24 C ATOM 962 CD1 LEU A 65 4.207 -26.542 -0.906 1.00 73.42 C ATOM 963 CD2 LEU A 65 5.615 -27.447 0.953 1.00 54.40 C ATOM 0 H LEU A 65 6.940 -29.473 0.553 1.00 44.21 H new ATOM 0 HA LEU A 65 7.828 -29.086 -2.188 1.00 61.12 H new ATOM 0 HB2 LEU A 65 5.872 -27.882 -2.445 1.00 53.04 H new ATOM 0 HB3 LEU A 65 5.414 -29.033 -1.205 1.00 53.04 H new ATOM 0 HG LEU A 65 6.291 -26.189 -0.632 1.00 73.24 H new ATOM 0 HD11 LEU A 65 3.902 -25.724 -0.254 1.00 73.42 H new ATOM 0 HD12 LEU A 65 4.224 -26.195 -1.939 1.00 73.42 H new ATOM 0 HD13 LEU A 65 3.498 -27.365 -0.811 1.00 73.42 H new ATOM 0 HD21 LEU A 65 5.291 -26.617 1.580 1.00 54.40 H new ATOM 0 HD22 LEU A 65 4.942 -28.293 1.094 1.00 54.40 H new ATOM 0 HD23 LEU A 65 6.627 -27.739 1.233 1.00 54.40 H new ATOM 975 N LEU A 66 8.721 -27.119 0.223 1.00 30.12 N ATOM 976 CA LEU A 66 9.561 -25.980 0.578 1.00 61.43 C ATOM 977 C LEU A 66 10.981 -26.167 0.052 1.00 11.42 C ATOM 978 O LEU A 66 11.718 -25.198 -0.133 1.00 23.22 O ATOM 979 CB LEU A 66 9.587 -25.794 2.096 1.00 44.12 C ATOM 980 CG LEU A 66 9.512 -24.351 2.596 1.00 34.02 C ATOM 981 CD1 LEU A 66 10.538 -23.484 1.884 1.00 62.34 C ATOM 982 CD2 LEU A 66 8.110 -23.791 2.400 1.00 22.41 C ATOM 0 H LEU A 66 8.421 -27.685 1.017 1.00 30.12 H new ATOM 0 HA LEU A 66 9.137 -25.088 0.117 1.00 61.43 H new ATOM 0 HB2 LEU A 66 8.753 -26.350 2.525 1.00 44.12 H new ATOM 0 HB3 LEU A 66 10.502 -26.244 2.482 1.00 44.12 H new ATOM 0 HG LEU A 66 9.739 -24.345 3.662 1.00 34.02 H new ATOM 0 HD11 LEU A 66 10.469 -22.461 2.253 1.00 62.34 H new ATOM 0 HD12 LEU A 66 11.538 -23.872 2.076 1.00 62.34 H new ATOM 0 HD13 LEU A 66 10.343 -23.496 0.812 1.00 62.34 H new ATOM 0 HD21 LEU A 66 8.075 -22.763 2.761 1.00 22.41 H new ATOM 0 HD22 LEU A 66 7.855 -23.812 1.341 1.00 22.41 H new ATOM 0 HD23 LEU A 66 7.395 -24.396 2.958 1.00 22.41 H new ATOM 994 N LYS A 67 11.358 -27.418 -0.189 1.00 14.22 N ATOM 995 CA LYS A 67 12.688 -27.733 -0.697 1.00 14.51 C ATOM 996 C LYS A 67 12.850 -27.247 -2.134 1.00 1.13 C ATOM 997 O LYS A 67 13.961 -26.956 -2.578 1.00 34.45 O ATOM 998 CB LYS A 67 12.940 -29.240 -0.625 1.00 73.34 C ATOM 999 CG LYS A 67 13.970 -29.636 0.418 1.00 44.22 C ATOM 1000 CD LYS A 67 13.357 -29.713 1.806 1.00 4.01 C ATOM 1001 CE LYS A 67 14.428 -29.770 2.885 1.00 34.34 C ATOM 1002 NZ LYS A 67 14.985 -28.423 3.186 1.00 43.54 N ATOM 0 H LYS A 67 10.760 -28.231 -0.040 1.00 14.22 H new ATOM 0 HA LYS A 67 13.420 -27.219 -0.074 1.00 14.51 H new ATOM 0 HB2 LYS A 67 12.000 -29.747 -0.406 1.00 73.34 H new ATOM 0 HB3 LYS A 67 13.271 -29.591 -1.602 1.00 73.34 H new ATOM 0 HG2 LYS A 67 14.402 -30.602 0.156 1.00 44.22 H new ATOM 0 HG3 LYS A 67 14.785 -28.912 0.419 1.00 44.22 H new ATOM 0 HD2 LYS A 67 12.718 -28.846 1.971 1.00 4.01 H new ATOM 0 HD3 LYS A 67 12.721 -30.596 1.876 1.00 4.01 H new ATOM 0 HE2 LYS A 67 14.006 -30.199 3.793 1.00 34.34 H new ATOM 0 HE3 LYS A 67 15.232 -30.432 2.564 1.00 34.34 H new ATOM 0 HZ1 LYS A 67 15.918 -28.525 3.635 1.00 43.54 H new ATOM 0 HZ2 LYS A 67 15.083 -27.883 2.303 1.00 43.54 H new ATOM 0 HZ3 LYS A 67 14.344 -27.918 3.831 1.00 43.54 H new ATOM 1016 N GLN A 68 11.736 -27.160 -2.854 1.00 25.21 N ATOM 1017 CA GLN A 68 11.757 -26.709 -4.240 1.00 40.41 C ATOM 1018 C GLN A 68 11.681 -25.187 -4.318 1.00 63.43 C ATOM 1019 O GLN A 68 12.090 -24.586 -5.312 1.00 63.42 O ATOM 1020 CB GLN A 68 10.596 -27.330 -5.018 1.00 55.52 C ATOM 1021 CG GLN A 68 9.309 -26.523 -4.938 1.00 24.11 C ATOM 1022 CD GLN A 68 8.072 -27.399 -4.914 1.00 1.40 C ATOM 1023 OE1 GLN A 68 8.096 -28.540 -5.375 1.00 62.20 O ATOM 1024 NE2 GLN A 68 6.981 -26.868 -4.375 1.00 1.55 N ATOM 0 H GLN A 68 10.809 -27.396 -2.501 1.00 25.21 H new ATOM 0 HA GLN A 68 12.698 -27.031 -4.687 1.00 40.41 H new ATOM 0 HB2 GLN A 68 10.885 -27.435 -6.064 1.00 55.52 H new ATOM 0 HB3 GLN A 68 10.410 -28.334 -4.637 1.00 55.52 H new ATOM 0 HG2 GLN A 68 9.328 -25.903 -4.041 1.00 24.11 H new ATOM 0 HG3 GLN A 68 9.255 -25.847 -5.792 1.00 24.11 H new ATOM 0 HE21 GLN A 68 7.006 -25.918 -4.005 1.00 1.55 H new ATOM 0 HE22 GLN A 68 6.118 -27.410 -4.331 1.00 1.55 H new ATOM 1033 N ILE A 69 11.156 -24.571 -3.265 1.00 33.31 N ATOM 1034 CA ILE A 69 11.027 -23.120 -3.215 1.00 24.22 C ATOM 1035 C ILE A 69 12.392 -22.445 -3.291 1.00 5.35 C ATOM 1036 O ILE A 69 12.525 -21.346 -3.829 1.00 51.35 O ATOM 1037 CB ILE A 69 10.311 -22.662 -1.930 1.00 62.45 C ATOM 1038 CG1 ILE A 69 8.859 -23.145 -1.930 1.00 63.15 C ATOM 1039 CG2 ILE A 69 10.372 -21.148 -1.802 1.00 15.34 C ATOM 1040 CD1 ILE A 69 8.122 -22.844 -0.644 1.00 65.22 C ATOM 0 H ILE A 69 10.813 -25.054 -2.435 1.00 33.31 H new ATOM 0 HA ILE A 69 10.430 -22.826 -4.078 1.00 24.22 H new ATOM 0 HB ILE A 69 10.819 -23.100 -1.071 1.00 62.45 H new ATOM 0 HG12 ILE A 69 8.329 -22.678 -2.761 1.00 63.15 H new ATOM 0 HG13 ILE A 69 8.842 -24.221 -2.106 1.00 63.15 H new ATOM 0 HG21 ILE A 69 9.862 -20.839 -0.889 1.00 15.34 H new ATOM 0 HG22 ILE A 69 11.413 -20.828 -1.762 1.00 15.34 H new ATOM 0 HG23 ILE A 69 9.885 -20.690 -2.663 1.00 15.34 H new ATOM 0 HD11 ILE A 69 7.099 -23.214 -0.715 1.00 65.22 H new ATOM 0 HD12 ILE A 69 8.628 -23.333 0.188 1.00 65.22 H new ATOM 0 HD13 ILE A 69 8.107 -21.767 -0.477 1.00 65.22 H new ATOM 1052 N LYS A 70 13.407 -23.110 -2.748 1.00 74.23 N ATOM 1053 CA LYS A 70 14.764 -22.577 -2.756 1.00 72.13 C ATOM 1054 C LYS A 70 15.383 -22.685 -4.146 1.00 73.42 C ATOM 1055 O LYS A 70 16.289 -21.928 -4.492 1.00 20.12 O ATOM 1056 CB LYS A 70 15.632 -23.322 -1.740 1.00 64.22 C ATOM 1057 CG LYS A 70 16.293 -22.411 -0.720 1.00 53.23 C ATOM 1058 CD LYS A 70 15.628 -22.524 0.642 1.00 65.24 C ATOM 1059 CE LYS A 70 16.168 -23.709 1.428 1.00 71.21 C ATOM 1060 NZ LYS A 70 15.102 -24.704 1.732 1.00 25.13 N ATOM 0 H LYS A 70 13.315 -24.020 -2.297 1.00 74.23 H new ATOM 0 HA LYS A 70 14.716 -21.524 -2.480 1.00 72.13 H new ATOM 0 HB2 LYS A 70 15.017 -24.054 -1.216 1.00 64.22 H new ATOM 0 HB3 LYS A 70 16.404 -23.878 -2.272 1.00 64.22 H new ATOM 0 HG2 LYS A 70 17.349 -22.667 -0.633 1.00 53.23 H new ATOM 0 HG3 LYS A 70 16.243 -21.379 -1.066 1.00 53.23 H new ATOM 0 HD2 LYS A 70 15.793 -21.606 1.206 1.00 65.24 H new ATOM 0 HD3 LYS A 70 14.551 -22.631 0.515 1.00 65.24 H new ATOM 0 HE2 LYS A 70 16.963 -24.191 0.859 1.00 71.21 H new ATOM 0 HE3 LYS A 70 16.612 -23.356 2.359 1.00 71.21 H new ATOM 0 HZ1 LYS A 70 15.509 -25.496 2.268 1.00 25.13 H new ATOM 0 HZ2 LYS A 70 14.355 -24.251 2.297 1.00 25.13 H new ATOM 0 HZ3 LYS A 70 14.696 -25.060 0.843 1.00 25.13 H new ATOM 1074 N GLN A 71 14.886 -23.630 -4.938 1.00 70.03 N ATOM 1075 CA GLN A 71 15.391 -23.835 -6.291 1.00 33.53 C ATOM 1076 C GLN A 71 14.636 -22.966 -7.291 1.00 61.23 C ATOM 1077 O GLN A 71 15.241 -22.213 -8.054 1.00 43.01 O ATOM 1078 CB GLN A 71 15.270 -25.309 -6.684 1.00 43.34 C ATOM 1079 CG GLN A 71 16.186 -25.709 -7.830 1.00 21.22 C ATOM 1080 CD GLN A 71 17.118 -26.846 -7.461 1.00 63.43 C ATOM 1081 OE1 GLN A 71 18.099 -26.652 -6.742 1.00 60.44 O ATOM 1082 NE2 GLN A 71 16.817 -28.042 -7.953 1.00 33.50 N ATOM 0 H GLN A 71 14.135 -24.265 -4.667 1.00 70.03 H new ATOM 0 HA GLN A 71 16.442 -23.546 -6.308 1.00 33.53 H new ATOM 0 HB2 GLN A 71 15.496 -25.928 -5.816 1.00 43.34 H new ATOM 0 HB3 GLN A 71 14.238 -25.518 -6.965 1.00 43.34 H new ATOM 0 HG2 GLN A 71 15.581 -26.003 -8.688 1.00 21.22 H new ATOM 0 HG3 GLN A 71 16.776 -24.845 -8.137 1.00 21.22 H new ATOM 0 HE21 GLN A 71 15.994 -28.158 -8.545 1.00 33.50 H new ATOM 0 HE22 GLN A 71 17.408 -28.845 -7.739 1.00 33.50 H new ATOM 1091 N ARG A 72 13.312 -23.076 -7.283 1.00 33.35 N ATOM 1092 CA ARG A 72 12.475 -22.301 -8.191 1.00 34.55 C ATOM 1093 C ARG A 72 12.474 -20.826 -7.803 1.00 53.41 C ATOM 1094 O ARG A 72 12.278 -19.951 -8.648 1.00 22.21 O ATOM 1095 CB ARG A 72 11.044 -22.842 -8.185 1.00 55.04 C ATOM 1096 CG ARG A 72 10.574 -23.337 -9.544 1.00 5.51 C ATOM 1097 CD ARG A 72 9.235 -22.726 -9.927 1.00 22.41 C ATOM 1098 NE ARG A 72 9.031 -22.718 -11.373 1.00 42.30 N ATOM 1099 CZ ARG A 72 7.917 -22.290 -11.955 1.00 53.24 C ATOM 1100 NH1 ARG A 72 6.911 -21.838 -11.219 1.00 3.33 N ATOM 1101 NH2 ARG A 72 7.806 -22.313 -13.278 1.00 24.05 N ATOM 0 H ARG A 72 12.795 -23.694 -6.658 1.00 33.35 H new ATOM 0 HA ARG A 72 12.888 -22.394 -9.196 1.00 34.55 H new ATOM 0 HB2 ARG A 72 10.977 -23.659 -7.467 1.00 55.04 H new ATOM 0 HB3 ARG A 72 10.370 -22.058 -7.840 1.00 55.04 H new ATOM 0 HG2 ARG A 72 11.318 -23.088 -10.300 1.00 5.51 H new ATOM 0 HG3 ARG A 72 10.488 -24.423 -9.527 1.00 5.51 H new ATOM 0 HD2 ARG A 72 8.431 -23.287 -9.451 1.00 22.41 H new ATOM 0 HD3 ARG A 72 9.180 -21.706 -9.547 1.00 22.41 H new ATOM 0 HE ARG A 72 9.785 -23.060 -11.968 1.00 42.30 H new ATOM 0 HH11 ARG A 72 6.991 -21.818 -10.202 1.00 3.33 H new ATOM 0 HH12 ARG A 72 6.057 -21.510 -11.669 1.00 3.33 H new ATOM 0 HH21 ARG A 72 8.577 -22.660 -13.849 1.00 24.05 H new ATOM 0 HH22 ARG A 72 6.950 -21.984 -13.724 1.00 24.05 H new ATOM 1115 N HIS A 73 12.693 -20.556 -6.520 1.00 51.31 N ATOM 1116 CA HIS A 73 12.717 -19.186 -6.020 1.00 45.54 C ATOM 1117 C HIS A 73 13.778 -19.022 -4.936 1.00 12.33 C ATOM 1118 O HIS A 73 13.474 -18.928 -3.746 1.00 65.21 O ATOM 1119 CB HIS A 73 11.345 -18.796 -5.471 1.00 52.01 C ATOM 1120 CG HIS A 73 10.204 -19.287 -6.307 1.00 74.33 C ATOM 1121 ND1 HIS A 73 9.781 -18.648 -7.454 1.00 33.33 N ATOM 1122 CD2 HIS A 73 9.397 -20.364 -6.159 1.00 14.10 C ATOM 1123 CE1 HIS A 73 8.762 -19.309 -7.973 1.00 71.54 C ATOM 1124 NE2 HIS A 73 8.509 -20.355 -7.207 1.00 22.11 N ATOM 0 H HIS A 73 12.856 -21.268 -5.808 1.00 51.31 H new ATOM 0 HA HIS A 73 12.967 -18.527 -6.851 1.00 45.54 H new ATOM 0 HB2 HIS A 73 11.241 -19.192 -4.461 1.00 52.01 H new ATOM 0 HB3 HIS A 73 11.288 -17.710 -5.395 1.00 52.01 H new ATOM 0 HD1 HIS A 73 10.191 -17.798 -7.841 1.00 33.33 H new ATOM 0 HD2 HIS A 73 9.443 -21.094 -5.365 1.00 14.10 H new ATOM 0 HE1 HIS A 73 8.226 -19.040 -8.871 1.00 71.54 H new ATOM 1132 N PRO A 74 15.052 -18.987 -5.353 1.00 50.23 N ATOM 1133 CA PRO A 74 16.183 -18.835 -4.433 1.00 12.40 C ATOM 1134 C PRO A 74 16.244 -17.442 -3.815 1.00 42.35 C ATOM 1135 O PRO A 74 16.603 -17.285 -2.649 1.00 33.33 O ATOM 1136 CB PRO A 74 17.402 -19.078 -5.326 1.00 1.11 C ATOM 1137 CG PRO A 74 16.943 -18.724 -6.698 1.00 44.52 C ATOM 1138 CD PRO A 74 15.487 -19.093 -6.756 1.00 52.42 C ATOM 0 HA PRO A 74 16.115 -19.519 -3.587 1.00 12.40 H new ATOM 0 HB2 PRO A 74 18.247 -18.461 -5.020 1.00 1.11 H new ATOM 0 HB3 PRO A 74 17.730 -20.116 -5.274 1.00 1.11 H new ATOM 0 HG2 PRO A 74 17.084 -17.661 -6.895 1.00 44.52 H new ATOM 0 HG3 PRO A 74 17.513 -19.266 -7.452 1.00 44.52 H new ATOM 0 HD2 PRO A 74 14.927 -18.418 -7.403 1.00 52.42 H new ATOM 0 HD3 PRO A 74 15.343 -20.100 -7.146 1.00 52.42 H new ATOM 1146 N MET A 75 15.892 -16.433 -4.606 1.00 31.02 N ATOM 1147 CA MET A 75 15.906 -15.053 -4.135 1.00 13.11 C ATOM 1148 C MET A 75 14.626 -14.726 -3.371 1.00 63.22 C ATOM 1149 O MET A 75 14.434 -13.598 -2.916 1.00 52.23 O ATOM 1150 CB MET A 75 16.070 -14.091 -5.313 1.00 72.13 C ATOM 1151 CG MET A 75 15.036 -14.291 -6.409 1.00 71.15 C ATOM 1152 SD MET A 75 14.413 -12.733 -7.069 1.00 35.00 S ATOM 1153 CE MET A 75 13.694 -12.006 -5.598 1.00 4.10 C ATOM 0 H MET A 75 15.594 -16.545 -5.575 1.00 31.02 H new ATOM 0 HA MET A 75 16.752 -14.935 -3.458 1.00 13.11 H new ATOM 0 HB2 MET A 75 16.006 -13.066 -4.947 1.00 72.13 H new ATOM 0 HB3 MET A 75 17.066 -14.216 -5.737 1.00 72.13 H new ATOM 0 HG2 MET A 75 15.478 -14.873 -7.218 1.00 71.15 H new ATOM 0 HG3 MET A 75 14.203 -14.873 -6.015 1.00 71.15 H new ATOM 0 HE1 MET A 75 12.950 -11.263 -5.886 1.00 4.10 H new ATOM 0 HE2 MET A 75 13.218 -12.785 -5.003 1.00 4.10 H new ATOM 0 HE3 MET A 75 14.476 -11.527 -5.009 1.00 4.10 H new ATOM 1163 N LEU A 76 13.755 -15.719 -3.234 1.00 73.21 N ATOM 1164 CA LEU A 76 12.493 -15.537 -2.525 1.00 73.12 C ATOM 1165 C LEU A 76 12.618 -15.975 -1.069 1.00 52.14 C ATOM 1166 O LEU A 76 12.731 -17.161 -0.760 1.00 32.22 O ATOM 1167 CB LEU A 76 11.379 -16.329 -3.214 1.00 5.52 C ATOM 1168 CG LEU A 76 10.066 -16.451 -2.440 1.00 61.44 C ATOM 1169 CD1 LEU A 76 9.548 -15.077 -2.047 1.00 54.12 C ATOM 1170 CD2 LEU A 76 9.029 -17.199 -3.266 1.00 10.31 C ATOM 0 H LEU A 76 13.899 -16.658 -3.604 1.00 73.21 H new ATOM 0 HA LEU A 76 12.243 -14.476 -2.546 1.00 73.12 H new ATOM 0 HB2 LEU A 76 11.169 -15.861 -4.176 1.00 5.52 H new ATOM 0 HB3 LEU A 76 11.749 -17.333 -3.422 1.00 5.52 H new ATOM 0 HG LEU A 76 10.254 -17.019 -1.529 1.00 61.44 H new ATOM 0 HD11 LEU A 76 8.613 -15.184 -1.497 1.00 54.12 H new ATOM 0 HD12 LEU A 76 10.284 -14.577 -1.417 1.00 54.12 H new ATOM 0 HD13 LEU A 76 9.375 -14.483 -2.944 1.00 54.12 H new ATOM 0 HD21 LEU A 76 8.101 -17.277 -2.700 1.00 10.31 H new ATOM 0 HD22 LEU A 76 8.844 -16.658 -4.194 1.00 10.31 H new ATOM 0 HD23 LEU A 76 9.399 -18.198 -3.496 1.00 10.31 H new ATOM 1182 N PRO A 77 12.595 -14.996 -0.153 1.00 3.02 N ATOM 1183 CA PRO A 77 12.702 -15.256 1.286 1.00 62.11 C ATOM 1184 C PRO A 77 11.460 -15.942 1.845 1.00 42.21 C ATOM 1185 O PRO A 77 10.354 -15.406 1.766 1.00 65.31 O ATOM 1186 CB PRO A 77 12.858 -13.858 1.889 1.00 52.44 C ATOM 1187 CG PRO A 77 12.217 -12.946 0.900 1.00 0.31 C ATOM 1188 CD PRO A 77 12.463 -13.560 -0.450 1.00 42.12 C ATOM 0 HA PRO A 77 13.527 -15.929 1.518 1.00 62.11 H new ATOM 0 HB2 PRO A 77 12.373 -13.790 2.863 1.00 52.44 H new ATOM 0 HB3 PRO A 77 13.908 -13.606 2.038 1.00 52.44 H new ATOM 0 HG2 PRO A 77 11.149 -12.847 1.095 1.00 0.31 H new ATOM 0 HG3 PRO A 77 12.645 -11.945 0.957 1.00 0.31 H new ATOM 0 HD2 PRO A 77 11.639 -13.366 -1.136 1.00 42.12 H new ATOM 0 HD3 PRO A 77 13.365 -13.161 -0.914 1.00 42.12 H new ATOM 1196 N VAL A 78 11.650 -17.130 2.411 1.00 54.35 N ATOM 1197 CA VAL A 78 10.545 -17.888 2.984 1.00 35.24 C ATOM 1198 C VAL A 78 10.709 -18.043 4.492 1.00 14.22 C ATOM 1199 O VAL A 78 11.820 -17.968 5.017 1.00 42.35 O ATOM 1200 CB VAL A 78 10.431 -19.285 2.345 1.00 31.05 C ATOM 1201 CG1 VAL A 78 9.219 -20.025 2.891 1.00 23.14 C ATOM 1202 CG2 VAL A 78 10.359 -19.173 0.830 1.00 23.11 C ATOM 0 H VAL A 78 12.559 -17.588 2.485 1.00 54.35 H new ATOM 0 HA VAL A 78 9.634 -17.326 2.776 1.00 35.24 H new ATOM 0 HB VAL A 78 11.322 -19.857 2.603 1.00 31.05 H new ATOM 0 HG11 VAL A 78 9.155 -21.010 2.428 1.00 23.14 H new ATOM 0 HG12 VAL A 78 9.317 -20.137 3.971 1.00 23.14 H new ATOM 0 HG13 VAL A 78 8.315 -19.459 2.666 1.00 23.14 H new ATOM 0 HG21 VAL A 78 10.279 -20.169 0.395 1.00 23.11 H new ATOM 0 HG22 VAL A 78 9.486 -18.583 0.550 1.00 23.11 H new ATOM 0 HG23 VAL A 78 11.260 -18.686 0.458 1.00 23.11 H new ATOM 1212 N ILE A 79 9.595 -18.260 5.184 1.00 50.53 N ATOM 1213 CA ILE A 79 9.616 -18.427 6.632 1.00 52.54 C ATOM 1214 C ILE A 79 8.900 -19.707 7.048 1.00 70.14 C ATOM 1215 O ILE A 79 7.943 -20.133 6.401 1.00 74.12 O ATOM 1216 CB ILE A 79 8.960 -17.230 7.346 1.00 51.02 C ATOM 1217 CG1 ILE A 79 9.442 -15.914 6.731 1.00 22.42 C ATOM 1218 CG2 ILE A 79 9.267 -17.269 8.835 1.00 30.03 C ATOM 1219 CD1 ILE A 79 8.812 -14.689 7.355 1.00 74.10 C ATOM 0 H ILE A 79 8.667 -18.324 4.765 1.00 50.53 H new ATOM 0 HA ILE A 79 10.663 -18.487 6.928 1.00 52.54 H new ATOM 0 HB ILE A 79 7.880 -17.295 7.216 1.00 51.02 H new ATOM 0 HG12 ILE A 79 10.525 -15.849 6.835 1.00 22.42 H new ATOM 0 HG13 ILE A 79 9.225 -15.920 5.663 1.00 22.42 H new ATOM 0 HG21 ILE A 79 8.797 -16.417 9.326 1.00 30.03 H new ATOM 0 HG22 ILE A 79 8.879 -18.194 9.262 1.00 30.03 H new ATOM 0 HG23 ILE A 79 10.346 -17.224 8.985 1.00 30.03 H new ATOM 0 HD11 ILE A 79 9.200 -13.793 6.870 1.00 74.10 H new ATOM 0 HD12 ILE A 79 7.730 -14.731 7.227 1.00 74.10 H new ATOM 0 HD13 ILE A 79 9.051 -14.658 8.418 1.00 74.10 H new ATOM 1231 N ILE A 80 9.369 -20.315 8.132 1.00 64.33 N ATOM 1232 CA ILE A 80 8.772 -21.546 8.636 1.00 42.42 C ATOM 1233 C ILE A 80 8.121 -21.323 9.996 1.00 34.14 C ATOM 1234 O ILE A 80 8.653 -20.604 10.841 1.00 44.33 O ATOM 1235 CB ILE A 80 9.817 -22.670 8.758 1.00 65.15 C ATOM 1236 CG1 ILE A 80 10.567 -22.845 7.435 1.00 11.21 C ATOM 1237 CG2 ILE A 80 9.148 -23.973 9.170 1.00 44.25 C ATOM 1238 CD1 ILE A 80 9.772 -23.587 6.383 1.00 10.35 C ATOM 0 H ILE A 80 10.161 -19.976 8.678 1.00 64.33 H new ATOM 0 HA ILE A 80 8.011 -21.846 7.916 1.00 42.42 H new ATOM 0 HB ILE A 80 10.537 -22.394 9.529 1.00 65.15 H new ATOM 0 HG12 ILE A 80 10.839 -21.863 7.048 1.00 11.21 H new ATOM 0 HG13 ILE A 80 11.497 -23.382 7.622 1.00 11.21 H new ATOM 0 HG21 ILE A 80 9.900 -24.758 9.252 1.00 44.25 H new ATOM 0 HG22 ILE A 80 8.655 -23.840 10.133 1.00 44.25 H new ATOM 0 HG23 ILE A 80 8.409 -24.255 8.420 1.00 44.25 H new ATOM 0 HD11 ILE A 80 10.365 -23.674 5.473 1.00 10.35 H new ATOM 0 HD12 ILE A 80 9.523 -24.583 6.750 1.00 10.35 H new ATOM 0 HD13 ILE A 80 8.854 -23.040 6.167 1.00 10.35 H new ATOM 1250 N MET A 81 6.965 -21.947 10.202 1.00 23.12 N ATOM 1251 CA MET A 81 6.242 -21.819 11.462 1.00 22.52 C ATOM 1252 C MET A 81 5.953 -23.191 12.065 1.00 45.25 C ATOM 1253 O MET A 81 5.334 -24.043 11.427 1.00 71.02 O ATOM 1254 CB MET A 81 4.933 -21.057 11.249 1.00 71.45 C ATOM 1255 CG MET A 81 5.098 -19.779 10.442 1.00 23.44 C ATOM 1256 SD MET A 81 3.525 -18.969 10.095 1.00 64.24 S ATOM 1257 CE MET A 81 2.637 -20.292 9.276 1.00 0.23 C ATOM 0 H MET A 81 6.510 -22.546 9.513 1.00 23.12 H new ATOM 0 HA MET A 81 6.870 -21.261 12.157 1.00 22.52 H new ATOM 0 HB2 MET A 81 4.222 -21.708 10.741 1.00 71.45 H new ATOM 0 HB3 MET A 81 4.503 -20.811 12.220 1.00 71.45 H new ATOM 0 HG2 MET A 81 5.744 -19.091 10.987 1.00 23.44 H new ATOM 0 HG3 MET A 81 5.599 -20.010 9.502 1.00 23.44 H new ATOM 0 HE1 MET A 81 2.038 -19.880 8.464 1.00 0.23 H new ATOM 0 HE2 MET A 81 3.348 -21.013 8.873 1.00 0.23 H new ATOM 0 HE3 MET A 81 1.983 -20.789 9.992 1.00 0.23 H new ATOM 1267 N THR A 82 6.407 -23.398 13.297 1.00 34.41 N ATOM 1268 CA THR A 82 6.198 -24.666 13.985 1.00 62.44 C ATOM 1269 C THR A 82 6.809 -24.642 15.381 1.00 43.31 C ATOM 1270 O THR A 82 6.137 -24.310 16.357 1.00 43.00 O ATOM 1271 CB THR A 82 6.803 -25.841 13.193 1.00 50.15 C ATOM 1272 OG1 THR A 82 7.077 -26.936 14.073 1.00 25.03 O ATOM 1273 CG2 THR A 82 8.083 -25.417 12.488 1.00 10.35 C ATOM 0 H THR A 82 6.922 -22.704 13.839 1.00 34.41 H new ATOM 0 HA THR A 82 5.120 -24.807 14.066 1.00 62.44 H new ATOM 0 HB THR A 82 6.079 -26.153 12.440 1.00 50.15 H new ATOM 0 HG1 THR A 82 6.299 -27.532 14.106 1.00 25.03 H new ATOM 0 HG21 THR A 82 8.492 -26.263 11.936 1.00 10.35 H new ATOM 0 HG22 THR A 82 7.865 -24.603 11.796 1.00 10.35 H new ATOM 0 HG23 THR A 82 8.811 -25.080 13.226 1.00 10.35 H new ATOM 1281 N ALA A 83 8.088 -24.994 15.469 1.00 73.35 N ATOM 1282 CA ALA A 83 8.790 -25.010 16.746 1.00 40.43 C ATOM 1283 C ALA A 83 8.149 -25.999 17.713 1.00 15.41 C ATOM 1284 O ALA A 83 7.483 -25.603 18.671 1.00 52.14 O ATOM 1285 CB ALA A 83 8.813 -23.614 17.352 1.00 30.42 C ATOM 0 H ALA A 83 8.659 -25.272 14.671 1.00 73.35 H new ATOM 0 HA ALA A 83 9.815 -25.333 16.565 1.00 40.43 H new ATOM 0 HB1 ALA A 83 9.340 -23.640 18.306 1.00 30.42 H new ATOM 0 HB2 ALA A 83 9.324 -22.931 16.673 1.00 30.42 H new ATOM 0 HB3 ALA A 83 7.791 -23.270 17.512 1.00 30.42 H new ATOM 1291 N HIS A 84 8.352 -27.287 17.457 1.00 44.11 N ATOM 1292 CA HIS A 84 7.793 -28.333 18.306 1.00 42.02 C ATOM 1293 C HIS A 84 8.192 -29.715 17.798 1.00 34.50 C ATOM 1294 O HIS A 84 8.401 -30.640 18.584 1.00 54.41 O ATOM 1295 CB HIS A 84 6.270 -28.216 18.359 1.00 53.10 C ATOM 1296 CG HIS A 84 5.613 -28.333 17.018 1.00 12.11 C ATOM 1297 ND1 HIS A 84 5.372 -29.542 16.401 1.00 61.31 N ATOM 1298 CD2 HIS A 84 5.144 -27.383 16.176 1.00 14.42 C ATOM 1299 CE1 HIS A 84 4.785 -29.331 15.237 1.00 40.34 C ATOM 1300 NE2 HIS A 84 4.634 -28.028 15.076 1.00 25.34 N ATOM 0 H HIS A 84 8.899 -27.632 16.668 1.00 44.11 H new ATOM 0 HA HIS A 84 8.195 -28.205 19.311 1.00 42.02 H new ATOM 0 HB2 HIS A 84 5.877 -28.992 19.016 1.00 53.10 H new ATOM 0 HB3 HIS A 84 6.003 -27.257 18.803 1.00 53.10 H new ATOM 0 HD2 HIS A 84 5.167 -26.316 16.339 1.00 14.42 H new ATOM 0 HE1 HIS A 84 4.480 -30.094 14.536 1.00 40.34 H new ATOM 0 HE2 HIS A 84 4.208 -27.575 14.267 1.00 25.34 H new ATOM 1308 N SER A 85 8.294 -29.850 16.480 1.00 41.44 N ATOM 1309 CA SER A 85 8.663 -31.120 15.867 1.00 73.42 C ATOM 1310 C SER A 85 9.124 -30.916 14.427 1.00 4.42 C ATOM 1311 O SER A 85 8.974 -31.800 13.584 1.00 42.12 O ATOM 1312 CB SER A 85 7.480 -32.090 15.902 1.00 12.11 C ATOM 1313 OG SER A 85 7.864 -33.379 15.456 1.00 34.12 O ATOM 0 H SER A 85 8.126 -29.095 15.816 1.00 41.44 H new ATOM 0 HA SER A 85 9.489 -31.543 16.438 1.00 73.42 H new ATOM 0 HB2 SER A 85 7.089 -32.155 16.917 1.00 12.11 H new ATOM 0 HB3 SER A 85 6.675 -31.709 15.274 1.00 12.11 H new ATOM 0 HG SER A 85 8.310 -33.305 14.586 1.00 34.12 H new ATOM 1319 N ASP A 86 9.686 -29.743 14.154 1.00 25.40 N ATOM 1320 CA ASP A 86 10.172 -29.421 12.817 1.00 33.11 C ATOM 1321 C ASP A 86 11.457 -28.602 12.888 1.00 33.12 C ATOM 1322 O ASP A 86 12.377 -28.801 12.094 1.00 1.10 O ATOM 1323 CB ASP A 86 9.105 -28.653 12.036 1.00 51.43 C ATOM 1324 CG ASP A 86 8.238 -29.564 11.190 1.00 74.20 C ATOM 1325 OD1 ASP A 86 8.736 -30.074 10.164 1.00 30.25 O ATOM 1326 OD2 ASP A 86 7.061 -29.768 11.554 1.00 72.21 O ATOM 0 H ASP A 86 9.816 -29.000 14.840 1.00 25.40 H new ATOM 0 HA ASP A 86 10.388 -30.356 12.300 1.00 33.11 H new ATOM 0 HB2 ASP A 86 8.475 -28.102 12.734 1.00 51.43 H new ATOM 0 HB3 ASP A 86 9.589 -27.917 11.394 1.00 51.43 H new ATOM 1331 N LEU A 87 11.512 -27.680 13.843 1.00 24.20 N ATOM 1332 CA LEU A 87 12.684 -26.829 14.018 1.00 65.44 C ATOM 1333 C LEU A 87 13.964 -27.660 14.029 1.00 74.20 C ATOM 1334 O LEU A 87 14.930 -27.339 13.338 1.00 64.03 O ATOM 1335 CB LEU A 87 12.570 -26.030 15.317 1.00 22.40 C ATOM 1336 CG LEU A 87 12.229 -24.548 15.165 1.00 1.45 C ATOM 1337 CD1 LEU A 87 10.918 -24.375 14.415 1.00 72.52 C ATOM 1338 CD2 LEU A 87 12.158 -23.875 16.528 1.00 11.35 C ATOM 0 H LEU A 87 10.759 -27.503 14.508 1.00 24.20 H new ATOM 0 HA LEU A 87 12.729 -26.138 13.177 1.00 65.44 H new ATOM 0 HB2 LEU A 87 11.807 -26.496 15.941 1.00 22.40 H new ATOM 0 HB3 LEU A 87 13.515 -26.112 15.854 1.00 22.40 H new ATOM 0 HG LEU A 87 13.020 -24.071 14.586 1.00 1.45 H new ATOM 0 HD11 LEU A 87 10.692 -23.313 14.317 1.00 72.52 H new ATOM 0 HD12 LEU A 87 11.004 -24.821 13.424 1.00 72.52 H new ATOM 0 HD13 LEU A 87 10.116 -24.867 14.966 1.00 72.52 H new ATOM 0 HD21 LEU A 87 11.914 -22.820 16.401 1.00 11.35 H new ATOM 0 HD22 LEU A 87 11.388 -24.355 17.131 1.00 11.35 H new ATOM 0 HD23 LEU A 87 13.121 -23.967 17.030 1.00 11.35 H new ATOM 1350 N ASP A 88 13.961 -28.730 14.816 1.00 31.04 N ATOM 1351 CA ASP A 88 15.120 -29.610 14.915 1.00 10.53 C ATOM 1352 C ASP A 88 15.690 -29.914 13.534 1.00 64.33 C ATOM 1353 O ASP A 88 16.906 -29.972 13.352 1.00 1.22 O ATOM 1354 CB ASP A 88 14.740 -30.911 15.622 1.00 21.45 C ATOM 1355 CG ASP A 88 15.635 -31.208 16.810 1.00 40.22 C ATOM 1356 OD1 ASP A 88 16.868 -31.065 16.673 1.00 31.21 O ATOM 1357 OD2 ASP A 88 15.103 -31.583 17.875 1.00 34.25 O ATOM 0 H ASP A 88 13.169 -29.009 15.395 1.00 31.04 H new ATOM 0 HA ASP A 88 15.885 -29.099 15.499 1.00 10.53 H new ATOM 0 HB2 ASP A 88 13.705 -30.850 15.957 1.00 21.45 H new ATOM 0 HB3 ASP A 88 14.797 -31.737 14.913 1.00 21.45 H new ATOM 1362 N ALA A 89 14.804 -30.110 12.563 1.00 12.21 N ATOM 1363 CA ALA A 89 15.219 -30.408 11.198 1.00 11.20 C ATOM 1364 C ALA A 89 15.434 -29.128 10.398 1.00 52.33 C ATOM 1365 O ALA A 89 16.486 -28.934 9.790 1.00 41.21 O ATOM 1366 CB ALA A 89 14.188 -31.293 10.514 1.00 33.32 C ATOM 0 H ALA A 89 13.794 -30.068 12.697 1.00 12.21 H new ATOM 0 HA ALA A 89 16.168 -30.942 11.242 1.00 11.20 H new ATOM 0 HB1 ALA A 89 14.511 -31.507 9.495 1.00 33.32 H new ATOM 0 HB2 ALA A 89 14.086 -32.227 11.067 1.00 33.32 H new ATOM 0 HB3 ALA A 89 13.227 -30.780 10.489 1.00 33.32 H new ATOM 1372 N ALA A 90 14.429 -28.257 10.402 1.00 64.45 N ATOM 1373 CA ALA A 90 14.510 -26.995 9.677 1.00 74.22 C ATOM 1374 C ALA A 90 15.812 -26.265 9.988 1.00 33.21 C ATOM 1375 O ALA A 90 16.359 -25.562 9.139 1.00 0.50 O ATOM 1376 CB ALA A 90 13.315 -26.116 10.015 1.00 2.53 C ATOM 0 H ALA A 90 13.550 -28.403 10.899 1.00 64.45 H new ATOM 0 HA ALA A 90 14.495 -27.215 8.610 1.00 74.22 H new ATOM 0 HB1 ALA A 90 13.388 -25.177 9.467 1.00 2.53 H new ATOM 0 HB2 ALA A 90 12.395 -26.629 9.735 1.00 2.53 H new ATOM 0 HB3 ALA A 90 13.305 -25.912 11.086 1.00 2.53 H new ATOM 1382 N VAL A 91 16.303 -26.437 11.211 1.00 1.43 N ATOM 1383 CA VAL A 91 17.542 -25.794 11.635 1.00 74.14 C ATOM 1384 C VAL A 91 18.658 -26.033 10.624 1.00 31.11 C ATOM 1385 O VAL A 91 19.247 -25.088 10.100 1.00 63.23 O ATOM 1386 CB VAL A 91 17.996 -26.305 13.015 1.00 54.01 C ATOM 1387 CG1 VAL A 91 19.451 -25.941 13.267 1.00 13.42 C ATOM 1388 CG2 VAL A 91 17.100 -25.746 14.110 1.00 31.32 C ATOM 0 H VAL A 91 15.862 -27.016 11.926 1.00 1.43 H new ATOM 0 HA VAL A 91 17.338 -24.725 11.701 1.00 74.14 H new ATOM 0 HB VAL A 91 17.912 -27.392 13.027 1.00 54.01 H new ATOM 0 HG11 VAL A 91 19.754 -26.310 14.247 1.00 13.42 H new ATOM 0 HG12 VAL A 91 20.078 -26.394 12.499 1.00 13.42 H new ATOM 0 HG13 VAL A 91 19.566 -24.857 13.236 1.00 13.42 H new ATOM 0 HG21 VAL A 91 17.435 -26.117 15.079 1.00 31.32 H new ATOM 0 HG22 VAL A 91 17.151 -24.657 14.101 1.00 31.32 H new ATOM 0 HG23 VAL A 91 16.072 -26.063 13.936 1.00 31.32 H new ATOM 1398 N SER A 92 18.943 -27.303 10.355 1.00 61.20 N ATOM 1399 CA SER A 92 19.991 -27.667 9.409 1.00 25.31 C ATOM 1400 C SER A 92 19.446 -27.716 7.985 1.00 34.33 C ATOM 1401 O SER A 92 20.078 -27.228 7.049 1.00 13.44 O ATOM 1402 CB SER A 92 20.596 -29.022 9.782 1.00 24.14 C ATOM 1403 OG SER A 92 21.392 -29.534 8.727 1.00 11.51 O ATOM 0 H SER A 92 18.463 -28.097 10.779 1.00 61.20 H new ATOM 0 HA SER A 92 20.768 -26.904 9.456 1.00 25.31 H new ATOM 0 HB2 SER A 92 21.203 -28.917 10.681 1.00 24.14 H new ATOM 0 HB3 SER A 92 19.799 -29.728 10.015 1.00 24.14 H new ATOM 0 HG SER A 92 21.768 -30.400 8.991 1.00 11.51 H new ATOM 1409 N ALA A 93 18.267 -28.310 7.830 1.00 33.15 N ATOM 1410 CA ALA A 93 17.634 -28.422 6.522 1.00 13.13 C ATOM 1411 C ALA A 93 17.357 -27.046 5.927 1.00 51.41 C ATOM 1412 O ALA A 93 17.901 -26.690 4.881 1.00 32.11 O ATOM 1413 CB ALA A 93 16.344 -29.223 6.627 1.00 43.13 C ATOM 0 H ALA A 93 17.731 -28.721 8.594 1.00 33.15 H new ATOM 0 HA ALA A 93 18.321 -28.945 5.857 1.00 13.13 H new ATOM 0 HB1 ALA A 93 15.882 -29.299 5.643 1.00 43.13 H new ATOM 0 HB2 ALA A 93 16.566 -30.222 7.002 1.00 43.13 H new ATOM 0 HB3 ALA A 93 15.660 -28.722 7.312 1.00 43.13 H new ATOM 1419 N TYR A 94 16.508 -26.276 6.598 1.00 1.45 N ATOM 1420 CA TYR A 94 16.157 -24.939 6.134 1.00 73.03 C ATOM 1421 C TYR A 94 17.403 -24.074 5.969 1.00 71.51 C ATOM 1422 O TYR A 94 17.379 -23.059 5.274 1.00 13.24 O ATOM 1423 CB TYR A 94 15.187 -24.274 7.112 1.00 21.44 C ATOM 1424 CG TYR A 94 14.258 -23.276 6.460 1.00 73.10 C ATOM 1425 CD1 TYR A 94 13.607 -23.577 5.270 1.00 62.21 C ATOM 1426 CD2 TYR A 94 14.029 -22.032 7.035 1.00 43.33 C ATOM 1427 CE1 TYR A 94 12.758 -22.668 4.670 1.00 11.31 C ATOM 1428 CE2 TYR A 94 13.180 -21.116 6.443 1.00 65.53 C ATOM 1429 CZ TYR A 94 12.548 -21.439 5.260 1.00 14.14 C ATOM 1430 OH TYR A 94 11.701 -20.531 4.667 1.00 42.32 O ATOM 0 H TYR A 94 16.050 -26.555 7.466 1.00 1.45 H new ATOM 0 HA TYR A 94 15.673 -25.036 5.162 1.00 73.03 H new ATOM 0 HB2 TYR A 94 14.592 -25.045 7.601 1.00 21.44 H new ATOM 0 HB3 TYR A 94 15.759 -23.770 7.891 1.00 21.44 H new ATOM 0 HD1 TYR A 94 13.768 -24.539 4.806 1.00 62.21 H new ATOM 0 HD2 TYR A 94 14.523 -21.776 7.961 1.00 43.33 H new ATOM 0 HE1 TYR A 94 12.261 -22.918 3.744 1.00 11.31 H new ATOM 0 HE2 TYR A 94 13.012 -20.154 6.904 1.00 65.53 H new ATOM 0 HH TYR A 94 12.145 -19.659 4.609 1.00 42.32 H new ATOM 1440 N GLN A 95 18.490 -24.487 6.612 1.00 3.55 N ATOM 1441 CA GLN A 95 19.747 -23.750 6.538 1.00 74.33 C ATOM 1442 C GLN A 95 20.365 -23.869 5.149 1.00 65.21 C ATOM 1443 O GLN A 95 21.454 -23.353 4.899 1.00 63.12 O ATOM 1444 CB GLN A 95 20.728 -24.266 7.592 1.00 13.31 C ATOM 1445 CG GLN A 95 20.954 -23.294 8.739 1.00 44.11 C ATOM 1446 CD GLN A 95 21.829 -22.120 8.345 1.00 53.22 C ATOM 1447 OE1 GLN A 95 21.336 -21.018 8.100 1.00 34.33 O ATOM 1448 NE2 GLN A 95 23.135 -22.349 8.281 1.00 21.32 N ATOM 0 H GLN A 95 18.526 -25.327 7.190 1.00 3.55 H new ATOM 0 HA GLN A 95 19.536 -22.699 6.733 1.00 74.33 H new ATOM 0 HB2 GLN A 95 20.355 -25.208 7.993 1.00 13.31 H new ATOM 0 HB3 GLN A 95 21.684 -24.479 7.113 1.00 13.31 H new ATOM 0 HG2 GLN A 95 19.991 -22.923 9.091 1.00 44.11 H new ATOM 0 HG3 GLN A 95 21.416 -23.823 9.573 1.00 44.11 H new ATOM 0 HE21 GLN A 95 23.501 -23.277 8.492 1.00 21.32 H new ATOM 0 HE22 GLN A 95 23.773 -21.597 8.021 1.00 21.32 H new ATOM 1457 N GLN A 96 19.664 -24.553 4.250 1.00 10.34 N ATOM 1458 CA GLN A 96 20.146 -24.740 2.887 1.00 1.21 C ATOM 1459 C GLN A 96 20.078 -23.434 2.102 1.00 73.45 C ATOM 1460 O GLN A 96 20.083 -23.438 0.871 1.00 14.53 O ATOM 1461 CB GLN A 96 19.327 -25.819 2.178 1.00 72.34 C ATOM 1462 CG GLN A 96 19.813 -27.233 2.455 1.00 12.33 C ATOM 1463 CD GLN A 96 20.817 -27.717 1.428 1.00 75.14 C ATOM 1464 OE1 GLN A 96 20.449 -28.102 0.317 1.00 11.22 O ATOM 1465 NE2 GLN A 96 22.093 -27.701 1.793 1.00 0.21 N ATOM 0 H GLN A 96 18.761 -24.987 4.441 1.00 10.34 H new ATOM 0 HA GLN A 96 21.187 -25.059 2.937 1.00 1.21 H new ATOM 0 HB2 GLN A 96 18.285 -25.735 2.488 1.00 72.34 H new ATOM 0 HB3 GLN A 96 19.356 -25.638 1.104 1.00 72.34 H new ATOM 0 HG2 GLN A 96 20.266 -27.270 3.446 1.00 12.33 H new ATOM 0 HG3 GLN A 96 18.959 -27.910 2.470 1.00 12.33 H new ATOM 0 HE21 GLN A 96 22.353 -27.374 2.723 1.00 0.21 H new ATOM 0 HE22 GLN A 96 22.813 -28.016 1.143 1.00 0.21 H new ATOM 1474 N GLY A 97 20.014 -22.318 2.822 1.00 75.43 N ATOM 1475 CA GLY A 97 19.944 -21.021 2.175 1.00 64.10 C ATOM 1476 C GLY A 97 18.583 -20.371 2.324 1.00 44.21 C ATOM 1477 O GLY A 97 18.130 -19.654 1.433 1.00 51.53 O ATOM 0 H GLY A 97 20.009 -22.289 3.842 1.00 75.43 H new ATOM 0 HA2 GLY A 97 20.705 -20.365 2.599 1.00 64.10 H new ATOM 0 HA3 GLY A 97 20.175 -21.134 1.116 1.00 64.10 H new ATOM 1481 N ALA A 98 17.929 -20.623 3.453 1.00 41.01 N ATOM 1482 CA ALA A 98 16.612 -20.056 3.715 1.00 20.55 C ATOM 1483 C ALA A 98 16.700 -18.897 4.702 1.00 51.34 C ATOM 1484 O ALA A 98 17.762 -18.624 5.261 1.00 10.43 O ATOM 1485 CB ALA A 98 15.671 -21.130 4.243 1.00 44.14 C ATOM 0 H ALA A 98 18.290 -21.216 4.201 1.00 41.01 H new ATOM 0 HA ALA A 98 16.216 -19.670 2.776 1.00 20.55 H new ATOM 0 HB1 ALA A 98 14.691 -20.693 4.435 1.00 44.14 H new ATOM 0 HB2 ALA A 98 15.575 -21.925 3.504 1.00 44.14 H new ATOM 0 HB3 ALA A 98 16.072 -21.542 5.169 1.00 44.14 H new ATOM 1491 N PHE A 99 15.577 -18.217 4.910 1.00 43.45 N ATOM 1492 CA PHE A 99 15.528 -17.084 5.827 1.00 22.43 C ATOM 1493 C PHE A 99 15.152 -17.540 7.234 1.00 75.41 C ATOM 1494 O PHE A 99 14.431 -18.524 7.407 1.00 1.42 O ATOM 1495 CB PHE A 99 14.524 -16.042 5.331 1.00 4.41 C ATOM 1496 CG PHE A 99 14.218 -14.975 6.343 1.00 20.25 C ATOM 1497 CD1 PHE A 99 15.035 -13.863 6.467 1.00 70.03 C ATOM 1498 CD2 PHE A 99 13.113 -15.085 7.172 1.00 22.44 C ATOM 1499 CE1 PHE A 99 14.756 -12.880 7.397 1.00 13.30 C ATOM 1500 CE2 PHE A 99 12.829 -14.105 8.104 1.00 33.22 C ATOM 1501 CZ PHE A 99 13.652 -13.002 8.218 1.00 55.44 C ATOM 0 H PHE A 99 14.689 -18.431 4.456 1.00 43.45 H new ATOM 0 HA PHE A 99 16.520 -16.634 5.862 1.00 22.43 H new ATOM 0 HB2 PHE A 99 14.915 -15.573 4.428 1.00 4.41 H new ATOM 0 HB3 PHE A 99 13.598 -16.545 5.054 1.00 4.41 H new ATOM 0 HD1 PHE A 99 15.901 -13.763 5.829 1.00 70.03 H new ATOM 0 HD2 PHE A 99 12.467 -15.946 7.089 1.00 22.44 H new ATOM 0 HE1 PHE A 99 15.400 -12.017 7.482 1.00 13.30 H new ATOM 0 HE2 PHE A 99 11.964 -14.202 8.743 1.00 33.22 H new ATOM 0 HZ PHE A 99 13.433 -12.236 8.948 1.00 55.44 H new ATOM 1511 N ASP A 100 15.644 -16.819 8.235 1.00 65.33 N ATOM 1512 CA ASP A 100 15.360 -17.148 9.627 1.00 60.43 C ATOM 1513 C ASP A 100 13.871 -17.413 9.829 1.00 24.22 C ATOM 1514 O ASP A 100 13.046 -16.510 9.694 1.00 12.21 O ATOM 1515 CB ASP A 100 15.819 -16.015 10.545 1.00 14.50 C ATOM 1516 CG ASP A 100 15.738 -16.389 12.012 1.00 54.21 C ATOM 1517 OD1 ASP A 100 16.713 -16.972 12.530 1.00 74.24 O ATOM 1518 OD2 ASP A 100 14.699 -16.099 12.642 1.00 73.20 O ATOM 0 H ASP A 100 16.242 -16.002 8.109 1.00 65.33 H new ATOM 0 HA ASP A 100 15.910 -18.055 9.880 1.00 60.43 H new ATOM 0 HB2 ASP A 100 16.846 -15.745 10.298 1.00 14.50 H new ATOM 0 HB3 ASP A 100 15.205 -15.133 10.364 1.00 14.50 H new ATOM 1523 N TYR A 101 13.536 -18.657 10.153 1.00 71.12 N ATOM 1524 CA TYR A 101 12.146 -19.042 10.370 1.00 4.24 C ATOM 1525 C TYR A 101 11.614 -18.447 11.670 1.00 14.13 C ATOM 1526 O TYR A 101 12.377 -17.944 12.496 1.00 51.44 O ATOM 1527 CB TYR A 101 12.016 -20.566 10.403 1.00 43.52 C ATOM 1528 CG TYR A 101 13.075 -21.246 11.241 1.00 42.03 C ATOM 1529 CD1 TYR A 101 13.233 -20.932 12.585 1.00 65.22 C ATOM 1530 CD2 TYR A 101 13.917 -22.204 10.688 1.00 12.30 C ATOM 1531 CE1 TYR A 101 14.200 -21.551 13.354 1.00 41.13 C ATOM 1532 CE2 TYR A 101 14.885 -22.829 11.450 1.00 42.43 C ATOM 1533 CZ TYR A 101 15.023 -22.498 12.782 1.00 63.42 C ATOM 1534 OH TYR A 101 15.986 -23.118 13.545 1.00 64.03 O ATOM 0 H TYR A 101 14.207 -19.416 10.271 1.00 71.12 H new ATOM 0 HA TYR A 101 11.553 -18.652 9.543 1.00 4.24 H new ATOM 0 HB2 TYR A 101 11.032 -20.830 10.791 1.00 43.52 H new ATOM 0 HB3 TYR A 101 12.070 -20.949 9.384 1.00 43.52 H new ATOM 0 HD1 TYR A 101 12.589 -20.192 13.036 1.00 65.22 H new ATOM 0 HD2 TYR A 101 13.813 -22.464 9.645 1.00 12.30 H new ATOM 0 HE1 TYR A 101 14.311 -21.294 14.397 1.00 41.13 H new ATOM 0 HE2 TYR A 101 15.530 -23.572 11.005 1.00 42.43 H new ATOM 0 HH TYR A 101 16.873 -22.914 13.182 1.00 64.03 H new ATOM 1544 N LEU A 102 10.298 -18.509 11.846 1.00 63.00 N ATOM 1545 CA LEU A 102 9.661 -17.978 13.046 1.00 53.43 C ATOM 1546 C LEU A 102 8.776 -19.031 13.704 1.00 30.13 C ATOM 1547 O LEU A 102 7.867 -19.588 13.088 1.00 43.24 O ATOM 1548 CB LEU A 102 8.830 -16.741 12.700 1.00 14.21 C ATOM 1549 CG LEU A 102 7.691 -16.407 13.664 1.00 13.42 C ATOM 1550 CD1 LEU A 102 8.236 -15.777 14.937 1.00 70.23 C ATOM 1551 CD2 LEU A 102 6.683 -15.481 12.999 1.00 52.14 C ATOM 0 H LEU A 102 9.652 -18.922 11.173 1.00 63.00 H new ATOM 0 HA LEU A 102 10.444 -17.697 13.750 1.00 53.43 H new ATOM 0 HB2 LEU A 102 9.499 -15.882 12.647 1.00 14.21 H new ATOM 0 HB3 LEU A 102 8.408 -16.878 11.704 1.00 14.21 H new ATOM 0 HG LEU A 102 7.183 -17.334 13.930 1.00 13.42 H new ATOM 0 HD11 LEU A 102 7.411 -15.546 15.611 1.00 70.23 H new ATOM 0 HD12 LEU A 102 8.919 -16.473 15.424 1.00 70.23 H new ATOM 0 HD13 LEU A 102 8.770 -14.859 14.689 1.00 70.23 H new ATOM 0 HD21 LEU A 102 5.880 -15.254 13.700 1.00 52.14 H new ATOM 0 HD22 LEU A 102 7.178 -14.556 12.703 1.00 52.14 H new ATOM 0 HD23 LEU A 102 6.268 -15.968 12.117 1.00 52.14 H new ATOM 1563 N PRO A 103 9.045 -19.311 14.988 1.00 34.22 N ATOM 1564 CA PRO A 103 8.282 -20.297 15.760 1.00 62.54 C ATOM 1565 C PRO A 103 6.862 -19.829 16.057 1.00 0.30 C ATOM 1566 O PRO A 103 6.583 -18.630 16.071 1.00 11.43 O ATOM 1567 CB PRO A 103 9.084 -20.430 17.057 1.00 62.24 C ATOM 1568 CG PRO A 103 9.808 -19.135 17.188 1.00 3.15 C ATOM 1569 CD PRO A 103 10.113 -18.686 15.786 1.00 71.10 C ATOM 0 HA PRO A 103 8.164 -21.235 15.218 1.00 62.54 H new ATOM 0 HB2 PRO A 103 8.430 -20.606 17.911 1.00 62.24 H new ATOM 0 HB3 PRO A 103 9.778 -21.269 17.009 1.00 62.24 H new ATOM 0 HG2 PRO A 103 9.197 -18.398 17.709 1.00 3.15 H new ATOM 0 HG3 PRO A 103 10.724 -19.257 17.766 1.00 3.15 H new ATOM 0 HD2 PRO A 103 10.096 -17.600 15.699 1.00 71.10 H new ATOM 0 HD3 PRO A 103 11.101 -19.016 15.464 1.00 71.10 H new ATOM 1577 N LYS A 104 5.967 -20.782 16.295 1.00 41.52 N ATOM 1578 CA LYS A 104 4.575 -20.467 16.594 1.00 61.10 C ATOM 1579 C LYS A 104 4.152 -21.084 17.923 1.00 35.01 C ATOM 1580 O LYS A 104 4.584 -22.176 18.294 1.00 14.40 O ATOM 1581 CB LYS A 104 3.664 -20.971 15.472 1.00 23.33 C ATOM 1582 CG LYS A 104 3.513 -22.482 15.444 1.00 23.43 C ATOM 1583 CD LYS A 104 2.222 -22.926 16.110 1.00 34.12 C ATOM 1584 CE LYS A 104 1.457 -23.914 15.242 1.00 45.44 C ATOM 1585 NZ LYS A 104 0.316 -24.529 15.974 1.00 22.00 N ATOM 0 H LYS A 104 6.181 -21.779 16.287 1.00 41.52 H new ATOM 0 HA LYS A 104 4.481 -19.384 16.670 1.00 61.10 H new ATOM 0 HB2 LYS A 104 2.679 -20.518 15.584 1.00 23.33 H new ATOM 0 HB3 LYS A 104 4.062 -20.636 14.514 1.00 23.33 H new ATOM 0 HG2 LYS A 104 3.529 -22.831 14.412 1.00 23.43 H new ATOM 0 HG3 LYS A 104 4.362 -22.943 15.950 1.00 23.43 H new ATOM 0 HD2 LYS A 104 2.447 -23.385 17.073 1.00 34.12 H new ATOM 0 HD3 LYS A 104 1.597 -22.056 16.310 1.00 34.12 H new ATOM 0 HE2 LYS A 104 1.085 -23.404 14.353 1.00 45.44 H new ATOM 0 HE3 LYS A 104 2.134 -24.697 14.901 1.00 45.44 H new ATOM 0 HZ1 LYS A 104 -0.332 -24.976 15.294 1.00 22.00 H new ATOM 0 HZ2 LYS A 104 0.674 -25.248 16.635 1.00 22.00 H new ATOM 0 HZ3 LYS A 104 -0.193 -23.794 16.505 1.00 22.00 H new ATOM 1599 N PRO A 105 3.285 -20.371 18.658 1.00 73.32 N ATOM 1600 CA PRO A 105 2.764 -19.071 18.227 1.00 50.41 C ATOM 1601 C PRO A 105 3.831 -17.982 18.252 1.00 43.23 C ATOM 1602 O PRO A 105 4.978 -18.231 18.624 1.00 10.12 O ATOM 1603 CB PRO A 105 1.669 -18.769 19.253 1.00 72.30 C ATOM 1604 CG PRO A 105 2.065 -19.537 20.467 1.00 45.43 C ATOM 1605 CD PRO A 105 2.747 -20.780 19.966 1.00 33.22 C ATOM 0 HA PRO A 105 2.407 -19.097 17.197 1.00 50.41 H new ATOM 0 HB2 PRO A 105 1.607 -17.701 19.463 1.00 72.30 H new ATOM 0 HB3 PRO A 105 0.689 -19.080 18.890 1.00 72.30 H new ATOM 0 HG2 PRO A 105 2.734 -18.952 21.098 1.00 45.43 H new ATOM 0 HG3 PRO A 105 1.194 -19.787 21.072 1.00 45.43 H new ATOM 0 HD2 PRO A 105 3.538 -21.104 20.642 1.00 33.22 H new ATOM 0 HD3 PRO A 105 2.048 -21.611 19.871 1.00 33.22 H new ATOM 1613 N PHE A 106 3.447 -16.774 17.853 1.00 11.32 N ATOM 1614 CA PHE A 106 4.372 -15.646 17.829 1.00 34.44 C ATOM 1615 C PHE A 106 3.622 -14.325 17.970 1.00 52.22 C ATOM 1616 O PHE A 106 2.391 -14.293 17.963 1.00 61.30 O ATOM 1617 CB PHE A 106 5.181 -15.651 16.531 1.00 3.11 C ATOM 1618 CG PHE A 106 4.331 -15.715 15.295 1.00 40.04 C ATOM 1619 CD1 PHE A 106 3.558 -14.630 14.912 1.00 21.34 C ATOM 1620 CD2 PHE A 106 4.305 -16.859 14.514 1.00 21.51 C ATOM 1621 CE1 PHE A 106 2.774 -14.687 13.776 1.00 63.15 C ATOM 1622 CE2 PHE A 106 3.523 -16.922 13.376 1.00 45.12 C ATOM 1623 CZ PHE A 106 2.758 -15.834 13.006 1.00 51.34 C ATOM 0 H PHE A 106 2.502 -16.551 17.542 1.00 11.32 H new ATOM 0 HA PHE A 106 5.053 -15.748 18.674 1.00 34.44 H new ATOM 0 HB2 PHE A 106 5.797 -14.752 16.493 1.00 3.11 H new ATOM 0 HB3 PHE A 106 5.861 -16.503 16.539 1.00 3.11 H new ATOM 0 HD1 PHE A 106 3.569 -13.730 15.509 1.00 21.34 H new ATOM 0 HD2 PHE A 106 4.903 -17.712 14.798 1.00 21.51 H new ATOM 0 HE1 PHE A 106 2.174 -13.836 13.490 1.00 63.15 H new ATOM 0 HE2 PHE A 106 3.510 -17.821 12.777 1.00 45.12 H new ATOM 0 HZ PHE A 106 2.148 -15.879 12.116 1.00 51.34 H new ATOM 1633 N ASP A 107 4.373 -13.236 18.097 1.00 33.54 N ATOM 1634 CA ASP A 107 3.780 -11.911 18.239 1.00 25.32 C ATOM 1635 C ASP A 107 3.641 -11.230 16.881 1.00 22.32 C ATOM 1636 O ASP A 107 4.637 -10.904 16.235 1.00 41.32 O ATOM 1637 CB ASP A 107 4.630 -11.047 19.172 1.00 13.04 C ATOM 1638 CG ASP A 107 4.790 -11.665 20.548 1.00 52.44 C ATOM 1639 OD1 ASP A 107 3.760 -11.943 21.196 1.00 13.11 O ATOM 1640 OD2 ASP A 107 5.945 -11.869 20.976 1.00 42.11 O ATOM 0 H ASP A 107 5.393 -13.245 18.105 1.00 33.54 H new ATOM 0 HA ASP A 107 2.786 -12.028 18.670 1.00 25.32 H new ATOM 0 HB2 ASP A 107 5.614 -10.897 18.728 1.00 13.04 H new ATOM 0 HB3 ASP A 107 4.171 -10.063 19.270 1.00 13.04 H new ATOM 1645 N ILE A 108 2.400 -11.021 16.455 1.00 44.52 N ATOM 1646 CA ILE A 108 2.132 -10.379 15.174 1.00 14.31 C ATOM 1647 C ILE A 108 2.993 -9.134 14.991 1.00 24.13 C ATOM 1648 O ILE A 108 3.384 -8.796 13.874 1.00 41.41 O ATOM 1649 CB ILE A 108 0.648 -9.986 15.041 1.00 22.24 C ATOM 1650 CG1 ILE A 108 -0.220 -11.235 14.876 1.00 65.44 C ATOM 1651 CG2 ILE A 108 0.454 -9.040 13.866 1.00 12.11 C ATOM 1652 CD1 ILE A 108 -1.630 -11.065 15.395 1.00 50.42 C ATOM 0 H ILE A 108 1.565 -11.286 16.977 1.00 44.52 H new ATOM 0 HA ILE A 108 2.379 -11.106 14.400 1.00 14.31 H new ATOM 0 HB ILE A 108 0.341 -9.471 15.951 1.00 22.24 H new ATOM 0 HG12 ILE A 108 -0.260 -11.502 13.820 1.00 65.44 H new ATOM 0 HG13 ILE A 108 0.252 -12.067 15.398 1.00 65.44 H new ATOM 0 HG21 ILE A 108 -0.599 -8.772 13.785 1.00 12.11 H new ATOM 0 HG22 ILE A 108 1.047 -8.139 14.023 1.00 12.11 H new ATOM 0 HG23 ILE A 108 0.775 -9.531 12.947 1.00 12.11 H new ATOM 0 HD11 ILE A 108 -2.187 -11.990 15.245 1.00 50.42 H new ATOM 0 HD12 ILE A 108 -1.600 -10.828 16.458 1.00 50.42 H new ATOM 0 HD13 ILE A 108 -2.121 -10.254 14.856 1.00 50.42 H new ATOM 1664 N ASP A 109 3.288 -8.458 16.096 1.00 13.40 N ATOM 1665 CA ASP A 109 4.106 -7.251 16.059 1.00 64.42 C ATOM 1666 C ASP A 109 5.496 -7.555 15.507 1.00 51.40 C ATOM 1667 O ASP A 109 6.023 -6.808 14.682 1.00 35.35 O ATOM 1668 CB ASP A 109 4.221 -6.644 17.458 1.00 41.23 C ATOM 1669 CG ASP A 109 2.869 -6.435 18.111 1.00 51.23 C ATOM 1670 OD1 ASP A 109 2.024 -5.735 17.514 1.00 4.44 O ATOM 1671 OD2 ASP A 109 2.655 -6.971 19.219 1.00 45.34 O ATOM 0 H ASP A 109 2.973 -8.725 17.029 1.00 13.40 H new ATOM 0 HA ASP A 109 3.621 -6.532 15.399 1.00 64.42 H new ATOM 0 HB2 ASP A 109 4.827 -7.297 18.086 1.00 41.23 H new ATOM 0 HB3 ASP A 109 4.742 -5.689 17.395 1.00 41.23 H new ATOM 1676 N GLU A 110 6.084 -8.654 15.969 1.00 52.11 N ATOM 1677 CA GLU A 110 7.413 -9.054 15.522 1.00 1.43 C ATOM 1678 C GLU A 110 7.343 -9.765 14.174 1.00 40.42 C ATOM 1679 O GLU A 110 8.273 -9.690 13.372 1.00 64.11 O ATOM 1680 CB GLU A 110 8.071 -9.967 16.559 1.00 15.11 C ATOM 1681 CG GLU A 110 9.584 -10.035 16.438 1.00 75.23 C ATOM 1682 CD GLU A 110 10.293 -9.346 17.587 1.00 13.40 C ATOM 1683 OE1 GLU A 110 9.909 -9.587 18.751 1.00 72.13 O ATOM 1684 OE2 GLU A 110 11.231 -8.565 17.323 1.00 12.13 O ATOM 0 H GLU A 110 5.661 -9.283 16.652 1.00 52.11 H new ATOM 0 HA GLU A 110 8.016 -8.153 15.407 1.00 1.43 H new ATOM 0 HB2 GLU A 110 7.810 -9.616 17.557 1.00 15.11 H new ATOM 0 HB3 GLU A 110 7.661 -10.972 16.458 1.00 15.11 H new ATOM 0 HG2 GLU A 110 9.895 -11.079 16.398 1.00 75.23 H new ATOM 0 HG3 GLU A 110 9.891 -9.575 15.499 1.00 75.23 H new ATOM 1691 N ALA A 111 6.233 -10.454 13.932 1.00 30.32 N ATOM 1692 CA ALA A 111 6.040 -11.178 12.681 1.00 10.54 C ATOM 1693 C ALA A 111 5.901 -10.215 11.507 1.00 63.34 C ATOM 1694 O ALA A 111 6.629 -10.316 10.519 1.00 23.30 O ATOM 1695 CB ALA A 111 4.817 -12.078 12.776 1.00 63.12 C ATOM 0 H ALA A 111 5.453 -10.526 14.586 1.00 30.32 H new ATOM 0 HA ALA A 111 6.920 -11.797 12.507 1.00 10.54 H new ATOM 0 HB1 ALA A 111 4.685 -12.613 11.835 1.00 63.12 H new ATOM 0 HB2 ALA A 111 4.955 -12.796 13.585 1.00 63.12 H new ATOM 0 HB3 ALA A 111 3.934 -11.472 12.976 1.00 63.12 H new ATOM 1701 N VAL A 112 4.961 -9.282 11.620 1.00 63.13 N ATOM 1702 CA VAL A 112 4.727 -8.301 10.567 1.00 64.12 C ATOM 1703 C VAL A 112 6.025 -7.614 10.158 1.00 43.22 C ATOM 1704 O VAL A 112 6.207 -7.248 8.997 1.00 54.20 O ATOM 1705 CB VAL A 112 3.711 -7.232 11.011 1.00 22.32 C ATOM 1706 CG1 VAL A 112 3.753 -6.034 10.075 1.00 12.03 C ATOM 1707 CG2 VAL A 112 2.311 -7.823 11.073 1.00 14.52 C ATOM 0 H VAL A 112 4.349 -9.185 12.430 1.00 63.13 H new ATOM 0 HA VAL A 112 4.322 -8.844 9.713 1.00 64.12 H new ATOM 0 HB VAL A 112 3.981 -6.890 12.010 1.00 22.32 H new ATOM 0 HG11 VAL A 112 3.029 -5.289 10.405 1.00 12.03 H new ATOM 0 HG12 VAL A 112 4.752 -5.598 10.086 1.00 12.03 H new ATOM 0 HG13 VAL A 112 3.509 -6.355 9.062 1.00 12.03 H new ATOM 0 HG21 VAL A 112 1.605 -7.054 11.388 1.00 14.52 H new ATOM 0 HG22 VAL A 112 2.028 -8.193 10.087 1.00 14.52 H new ATOM 0 HG23 VAL A 112 2.295 -8.646 11.788 1.00 14.52 H new ATOM 1717 N ALA A 113 6.926 -7.442 11.120 1.00 61.13 N ATOM 1718 CA ALA A 113 8.209 -6.801 10.859 1.00 31.04 C ATOM 1719 C ALA A 113 9.221 -7.801 10.309 1.00 55.40 C ATOM 1720 O ALA A 113 10.028 -7.468 9.440 1.00 73.00 O ATOM 1721 CB ALA A 113 8.742 -6.152 12.128 1.00 31.22 C ATOM 0 H ALA A 113 6.791 -7.738 12.087 1.00 61.13 H new ATOM 0 HA ALA A 113 8.055 -6.029 10.106 1.00 31.04 H new ATOM 0 HB1 ALA A 113 9.701 -5.677 11.919 1.00 31.22 H new ATOM 0 HB2 ALA A 113 8.034 -5.401 12.478 1.00 31.22 H new ATOM 0 HB3 ALA A 113 8.874 -6.912 12.898 1.00 31.22 H new ATOM 1727 N LEU A 114 9.173 -9.026 10.820 1.00 14.21 N ATOM 1728 CA LEU A 114 10.086 -10.075 10.380 1.00 51.31 C ATOM 1729 C LEU A 114 10.018 -10.256 8.867 1.00 71.31 C ATOM 1730 O LEU A 114 11.026 -10.541 8.219 1.00 15.52 O ATOM 1731 CB LEU A 114 9.753 -11.394 11.079 1.00 64.12 C ATOM 1732 CG LEU A 114 10.450 -12.639 10.528 1.00 33.35 C ATOM 1733 CD1 LEU A 114 11.899 -12.687 10.987 1.00 32.35 C ATOM 1734 CD2 LEU A 114 9.710 -13.898 10.958 1.00 1.23 C ATOM 0 H LEU A 114 8.511 -9.317 11.540 1.00 14.21 H new ATOM 0 HA LEU A 114 11.100 -9.776 10.646 1.00 51.31 H new ATOM 0 HB2 LEU A 114 10.007 -11.297 12.135 1.00 64.12 H new ATOM 0 HB3 LEU A 114 8.676 -11.550 11.023 1.00 64.12 H new ATOM 0 HG LEU A 114 10.437 -12.588 9.439 1.00 33.35 H new ATOM 0 HD11 LEU A 114 12.379 -13.580 10.585 1.00 32.35 H new ATOM 0 HD12 LEU A 114 12.424 -11.801 10.629 1.00 32.35 H new ATOM 0 HD13 LEU A 114 11.935 -12.715 12.076 1.00 32.35 H new ATOM 0 HD21 LEU A 114 10.219 -14.774 10.557 1.00 1.23 H new ATOM 0 HD22 LEU A 114 9.691 -13.955 12.046 1.00 1.23 H new ATOM 0 HD23 LEU A 114 8.689 -13.867 10.579 1.00 1.23 H new ATOM 1746 N VAL A 115 8.823 -10.088 8.309 1.00 62.11 N ATOM 1747 CA VAL A 115 8.624 -10.230 6.872 1.00 51.04 C ATOM 1748 C VAL A 115 9.064 -8.973 6.129 1.00 33.21 C ATOM 1749 O VAL A 115 9.579 -9.048 5.014 1.00 34.00 O ATOM 1750 CB VAL A 115 7.149 -10.522 6.536 1.00 64.05 C ATOM 1751 CG1 VAL A 115 6.249 -9.427 7.088 1.00 71.54 C ATOM 1752 CG2 VAL A 115 6.965 -10.668 5.033 1.00 72.23 C ATOM 0 H VAL A 115 7.978 -9.853 8.831 1.00 62.11 H new ATOM 0 HA VAL A 115 9.236 -11.072 6.549 1.00 51.04 H new ATOM 0 HB VAL A 115 6.866 -11.463 7.007 1.00 64.05 H new ATOM 0 HG11 VAL A 115 5.211 -9.650 6.841 1.00 71.54 H new ATOM 0 HG12 VAL A 115 6.361 -9.375 8.171 1.00 71.54 H new ATOM 0 HG13 VAL A 115 6.529 -8.470 6.648 1.00 71.54 H new ATOM 0 HG21 VAL A 115 5.917 -10.874 4.813 1.00 72.23 H new ATOM 0 HG22 VAL A 115 7.265 -9.744 4.538 1.00 72.23 H new ATOM 0 HG23 VAL A 115 7.581 -11.491 4.669 1.00 72.23 H new ATOM 1762 N GLU A 116 8.857 -7.819 6.756 1.00 24.30 N ATOM 1763 CA GLU A 116 9.233 -6.546 6.154 1.00 52.45 C ATOM 1764 C GLU A 116 10.742 -6.469 5.940 1.00 52.41 C ATOM 1765 O GLU A 116 11.226 -5.669 5.139 1.00 70.25 O ATOM 1766 CB GLU A 116 8.772 -5.383 7.035 1.00 34.33 C ATOM 1767 CG GLU A 116 7.295 -5.057 6.888 1.00 11.44 C ATOM 1768 CD GLU A 116 7.049 -3.593 6.577 1.00 4.14 C ATOM 1769 OE1 GLU A 116 7.710 -3.062 5.660 1.00 15.23 O ATOM 1770 OE2 GLU A 116 6.196 -2.979 7.252 1.00 41.12 O ATOM 0 H GLU A 116 8.431 -7.740 7.680 1.00 24.30 H new ATOM 0 HA GLU A 116 8.742 -6.474 5.184 1.00 52.45 H new ATOM 0 HB2 GLU A 116 8.981 -5.623 8.078 1.00 34.33 H new ATOM 0 HB3 GLU A 116 9.357 -4.497 6.789 1.00 34.33 H new ATOM 0 HG2 GLU A 116 6.869 -5.670 6.094 1.00 11.44 H new ATOM 0 HG3 GLU A 116 6.775 -5.321 7.809 1.00 11.44 H new ATOM 1777 N ARG A 117 11.479 -7.305 6.663 1.00 3.11 N ATOM 1778 CA ARG A 117 12.933 -7.331 6.555 1.00 51.13 C ATOM 1779 C ARG A 117 13.367 -7.872 5.196 1.00 62.22 C ATOM 1780 O ARG A 117 14.217 -7.286 4.526 1.00 52.12 O ATOM 1781 CB ARG A 117 13.534 -8.186 7.672 1.00 53.10 C ATOM 1782 CG ARG A 117 12.849 -8.000 9.016 1.00 22.13 C ATOM 1783 CD ARG A 117 13.861 -7.871 10.144 1.00 65.33 C ATOM 1784 NE ARG A 117 14.576 -9.122 10.383 1.00 23.10 N ATOM 1785 CZ ARG A 117 15.592 -9.237 11.231 1.00 22.31 C ATOM 1786 NH1 ARG A 117 16.010 -8.183 11.917 1.00 1.34 N ATOM 1787 NH2 ARG A 117 16.192 -10.410 11.394 1.00 0.44 N ATOM 0 H ARG A 117 11.094 -7.974 7.330 1.00 3.11 H new ATOM 0 HA ARG A 117 13.298 -6.309 6.654 1.00 51.13 H new ATOM 0 HB2 ARG A 117 13.475 -9.236 7.386 1.00 53.10 H new ATOM 0 HB3 ARG A 117 14.591 -7.942 7.776 1.00 53.10 H new ATOM 0 HG2 ARG A 117 12.221 -7.110 8.985 1.00 22.13 H new ATOM 0 HG3 ARG A 117 12.191 -8.847 9.211 1.00 22.13 H new ATOM 0 HD2 ARG A 117 14.576 -7.085 9.901 1.00 65.33 H new ATOM 0 HD3 ARG A 117 13.350 -7.566 11.057 1.00 65.33 H new ATOM 0 HE ARG A 117 14.279 -9.953 9.871 1.00 23.10 H new ATOM 0 HH11 ARG A 117 15.551 -7.280 11.795 1.00 1.34 H new ATOM 0 HH12 ARG A 117 16.790 -8.275 12.567 1.00 1.34 H new ATOM 0 HH21 ARG A 117 15.873 -11.224 10.868 1.00 0.44 H new ATOM 0 HH22 ARG A 117 16.972 -10.498 12.045 1.00 0.44 H new ATOM 1801 N ALA A 118 12.778 -8.995 4.796 1.00 4.41 N ATOM 1802 CA ALA A 118 13.103 -9.614 3.517 1.00 21.03 C ATOM 1803 C ALA A 118 12.605 -8.764 2.353 1.00 21.03 C ATOM 1804 O ALA A 118 13.324 -8.550 1.377 1.00 71.13 O ATOM 1805 CB ALA A 118 12.510 -11.013 3.443 1.00 24.40 C ATOM 0 H ALA A 118 12.074 -9.494 5.339 1.00 4.41 H new ATOM 0 HA ALA A 118 14.188 -9.686 3.441 1.00 21.03 H new ATOM 0 HB1 ALA A 118 12.760 -11.464 2.483 1.00 24.40 H new ATOM 0 HB2 ALA A 118 12.918 -11.624 4.248 1.00 24.40 H new ATOM 0 HB3 ALA A 118 11.426 -10.955 3.545 1.00 24.40 H new ATOM 1811 N ILE A 119 11.371 -8.283 2.464 1.00 45.24 N ATOM 1812 CA ILE A 119 10.778 -7.456 1.420 1.00 44.01 C ATOM 1813 C ILE A 119 11.557 -6.157 1.239 1.00 72.32 C ATOM 1814 O ILE A 119 12.014 -5.844 0.140 1.00 40.32 O ATOM 1815 CB ILE A 119 9.309 -7.121 1.734 1.00 15.35 C ATOM 1816 CG1 ILE A 119 8.519 -8.401 2.015 1.00 64.21 C ATOM 1817 CG2 ILE A 119 8.683 -6.348 0.583 1.00 63.24 C ATOM 1818 CD1 ILE A 119 7.104 -8.148 2.484 1.00 31.14 C ATOM 0 H ILE A 119 10.763 -8.452 3.266 1.00 45.24 H new ATOM 0 HA ILE A 119 10.821 -8.034 0.497 1.00 44.01 H new ATOM 0 HB ILE A 119 9.278 -6.495 2.625 1.00 15.35 H new ATOM 0 HG12 ILE A 119 8.490 -9.006 1.109 1.00 64.21 H new ATOM 0 HG13 ILE A 119 9.045 -8.984 2.771 1.00 64.21 H new ATOM 0 HG21 ILE A 119 7.644 -6.119 0.821 1.00 63.24 H new ATOM 0 HG22 ILE A 119 9.233 -5.420 0.427 1.00 63.24 H new ATOM 0 HG23 ILE A 119 8.723 -6.951 -0.324 1.00 63.24 H new ATOM 0 HD11 ILE A 119 6.605 -9.100 2.664 1.00 31.14 H new ATOM 0 HD12 ILE A 119 7.125 -7.569 3.407 1.00 31.14 H new ATOM 0 HD13 ILE A 119 6.561 -7.592 1.720 1.00 31.14 H new ATOM 1830 N SER A 120 11.705 -5.406 2.325 1.00 21.24 N ATOM 1831 CA SER A 120 12.427 -4.140 2.287 1.00 50.34 C ATOM 1832 C SER A 120 13.846 -4.339 1.763 1.00 60.11 C ATOM 1833 O SER A 120 14.454 -3.418 1.216 1.00 14.02 O ATOM 1834 CB SER A 120 12.469 -3.510 3.680 1.00 2.40 C ATOM 1835 OG SER A 120 12.876 -2.154 3.614 1.00 2.25 O ATOM 0 H SER A 120 11.334 -5.652 3.243 1.00 21.24 H new ATOM 0 HA SER A 120 11.899 -3.470 1.609 1.00 50.34 H new ATOM 0 HB2 SER A 120 11.484 -3.575 4.142 1.00 2.40 H new ATOM 0 HB3 SER A 120 13.157 -4.069 4.315 1.00 2.40 H new ATOM 0 HG SER A 120 12.893 -1.773 4.517 1.00 2.25 H new ATOM 1841 N HIS A 121 14.369 -5.549 1.934 1.00 33.32 N ATOM 1842 CA HIS A 121 15.716 -5.871 1.479 1.00 64.42 C ATOM 1843 C HIS A 121 15.852 -5.642 -0.023 1.00 53.45 C ATOM 1844 O HIS A 121 16.956 -5.456 -0.536 1.00 54.21 O ATOM 1845 CB HIS A 121 16.059 -7.323 1.817 1.00 13.43 C ATOM 1846 CG HIS A 121 17.520 -7.633 1.715 1.00 43.15 C ATOM 1847 ND1 HIS A 121 18.120 -8.053 0.546 1.00 2.21 N ATOM 1848 CD2 HIS A 121 18.504 -7.581 2.643 1.00 51.31 C ATOM 1849 CE1 HIS A 121 19.409 -8.247 0.761 1.00 61.24 C ATOM 1850 NE2 HIS A 121 19.668 -7.967 2.025 1.00 31.23 N ATOM 0 H HIS A 121 13.880 -6.323 2.384 1.00 33.32 H new ATOM 0 HA HIS A 121 16.413 -5.211 1.995 1.00 64.42 H new ATOM 0 HB2 HIS A 121 15.720 -7.541 2.830 1.00 13.43 H new ATOM 0 HB3 HIS A 121 15.508 -7.983 1.147 1.00 13.43 H new ATOM 0 HD2 HIS A 121 18.394 -7.290 3.677 1.00 51.31 H new ATOM 0 HE1 HIS A 121 20.129 -8.578 0.027 1.00 61.24 H new ATOM 0 HE2 HIS A 121 20.584 -8.028 2.470 1.00 31.23 H new ATOM 1858 N TYR A 122 14.723 -5.656 -0.723 1.00 73.32 N ATOM 1859 CA TYR A 122 14.716 -5.453 -2.167 1.00 14.21 C ATOM 1860 C TYR A 122 14.087 -4.110 -2.525 1.00 12.43 C ATOM 1861 O TYR A 122 13.324 -4.006 -3.484 1.00 55.04 O ATOM 1862 CB TYR A 122 13.955 -6.585 -2.859 1.00 31.10 C ATOM 1863 CG TYR A 122 14.272 -7.955 -2.304 1.00 34.24 C ATOM 1864 CD1 TYR A 122 15.543 -8.502 -2.433 1.00 14.22 C ATOM 1865 CD2 TYR A 122 13.300 -8.704 -1.651 1.00 1.33 C ATOM 1866 CE1 TYR A 122 15.837 -9.754 -1.928 1.00 15.44 C ATOM 1867 CE2 TYR A 122 13.585 -9.956 -1.141 1.00 44.51 C ATOM 1868 CZ TYR A 122 14.855 -10.476 -1.282 1.00 72.23 C ATOM 1869 OH TYR A 122 15.143 -11.724 -0.777 1.00 54.43 O ATOM 0 H TYR A 122 13.801 -5.806 -0.314 1.00 73.32 H new ATOM 0 HA TYR A 122 15.750 -5.454 -2.513 1.00 14.21 H new ATOM 0 HB2 TYR A 122 12.885 -6.403 -2.765 1.00 31.10 H new ATOM 0 HB3 TYR A 122 14.188 -6.571 -3.924 1.00 31.10 H new ATOM 0 HD1 TYR A 122 16.314 -7.939 -2.937 1.00 14.22 H new ATOM 0 HD2 TYR A 122 12.304 -8.300 -1.540 1.00 1.33 H new ATOM 0 HE1 TYR A 122 16.830 -10.165 -2.038 1.00 15.44 H new ATOM 0 HE2 TYR A 122 12.818 -10.524 -0.635 1.00 44.51 H new ATOM 0 HH TYR A 122 15.080 -12.389 -1.494 1.00 54.43 H new