USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1324 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 120 THR OG1 : rot -85:sc= 1.71 USER MOD Set 1.2: A 134 SER OG : rot 180:sc= 1.02 USER MOD Set 2.1: A 92 HIS : no HE2:sc= -0.894 K(o=-0.92,f=-2.9) USER MOD Set 2.2: A 94 MET CE :methyl -173:sc= -0.0268 (180deg=-0.194) USER MOD Set 3.1: A 84 ASN : amide:sc= 0.27 K(o=0.52,f=-1.7) USER MOD Set 3.2: A 87 ASN : amide:sc= 0.25 K(o=0.52,f=-2.6) USER MOD Set 4.1: A 43 SER OG : rot -124:sc= 0.0695 USER MOD Set 4.2: A 63 TYR OH : rot -22:sc= 0.121 USER MOD Set 5.1: A 35 GLN : amide:sc= 0.74 K(o=1.4,f=-0.23) USER MOD Set 5.2: A 36 GLN : amide:sc= 0.654 K(o=1.4,f=-0.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 13 MET CE :methyl 150:sc= 0 (180deg=-0.135) USER MOD Single : A 18 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 20 MET CE :methyl -172:sc= -0.874 (180deg=-0.976) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 1.04 K(o=1,f=-4!) USER MOD Single : A 33 GLN : amide:sc=-0.00708 X(o=-0.0071,f=-0.35) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 29:sc= -0.25 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.772 F(o=-2.3!,f=-0.77) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0147) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -149:sc= 1.62 USER MOD Single : A 62 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -15:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.0161 K(o=-0.016,f=-5.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 1.03 K(o=1,f=-0.0041) USER MOD Single : A 113 HIS : no HE2:sc= -0.405 K(o=-0.41,f=-3.8!) USER MOD Single : A 121 GLN : amide:sc= 0.36 K(o=0.36,f=-3.9!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 177:sc= -0.187 (180deg=-0.263) USER MOD Single : A 136 SER OG : rot 90:sc=-0.00034 USER MOD Single : A 138 CYS SG : rot 27:sc= 0.559 USER MOD Single : A 139 SER OG : rot -81:sc= 0.0954 USER MOD Single : A 147 SER OG : rot 62:sc= 0.95 USER MOD Single : A 151 GLN : amide:sc= -0.121 K(o=-0.12,f=-3.4!) USER MOD Single : A 153 LYS NZ :NH3+ -151:sc= 1.01 (180deg=0.0256) USER MOD Single : A 154 MET CE :methyl -106:sc= -0.631 (180deg=-0.919) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot -160:sc= -0.111 USER MOD Single : A 163 MET CE :methyl -125:sc= -0.877 (180deg=-1.27) USER MOD Single : A 166 MET CE :methyl -157:sc= -0.329 (180deg=-1.62!) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -3.291 18.718 9.908 1.00 0.93 N ATOM 129 CA TRP A 9 -3.474 17.818 8.765 1.00 0.84 C ATOM 130 C TRP A 9 -3.767 16.396 9.252 1.00 0.78 C ATOM 131 O TRP A 9 -4.751 15.780 8.841 1.00 0.74 O ATOM 132 CB TRP A 9 -2.219 17.892 7.883 1.00 0.87 C ATOM 133 CG TRP A 9 -2.226 17.041 6.649 1.00 0.88 C ATOM 134 CD1 TRP A 9 -2.112 15.695 6.634 1.00 1.73 C ATOM 135 CD2 TRP A 9 -2.328 17.443 5.245 1.00 1.60 C ATOM 136 NE1 TRP A 9 -2.114 15.235 5.332 1.00 1.48 N ATOM 137 CE2 TRP A 9 -2.248 16.271 4.432 1.00 1.17 C ATOM 138 CE3 TRP A 9 -2.476 18.677 4.573 1.00 3.22 C ATOM 139 CZ2 TRP A 9 -2.311 16.321 3.031 1.00 1.95 C ATOM 140 CZ3 TRP A 9 -2.540 18.739 3.167 1.00 4.20 C ATOM 141 CH2 TRP A 9 -2.457 17.566 2.396 1.00 3.52 C ATOM 0 HA TRP A 9 -4.333 18.123 8.167 1.00 0.84 H new ATOM 0 HB2 TRP A 9 -2.072 18.929 7.583 1.00 0.87 H new ATOM 0 HB3 TRP A 9 -1.358 17.610 8.489 1.00 0.87 H new ATOM 0 HD1 TRP A 9 -2.031 15.070 7.511 1.00 1.73 H new ATOM 0 HE1 TRP A 9 -2.027 14.253 5.069 1.00 1.48 H new ATOM 0 HE3 TRP A 9 -2.541 19.589 5.148 1.00 3.22 H new ATOM 0 HZ2 TRP A 9 -2.248 15.414 2.448 1.00 1.95 H new ATOM 0 HZ3 TRP A 9 -2.654 19.695 2.677 1.00 4.20 H new ATOM 0 HH2 TRP A 9 -2.505 17.622 1.319 1.00 3.52 H new ATOM 152 N ARG A 10 -2.967 15.911 10.206 1.00 0.82 N ATOM 153 CA ARG A 10 -3.109 14.590 10.820 1.00 0.78 C ATOM 154 C ARG A 10 -4.429 14.490 11.592 1.00 0.79 C ATOM 155 O ARG A 10 -5.139 13.500 11.459 1.00 0.75 O ATOM 156 CB ARG A 10 -1.877 14.291 11.695 1.00 0.85 C ATOM 157 CG ARG A 10 -1.770 12.808 12.088 1.00 0.98 C ATOM 158 CD ARG A 10 -1.801 12.547 13.595 1.00 2.06 C ATOM 159 NE ARG A 10 -0.573 13.000 14.273 1.00 1.95 N ATOM 160 CZ ARG A 10 -0.137 12.569 15.452 1.00 2.49 C ATOM 161 NH1 ARG A 10 -0.770 11.636 16.132 1.00 3.45 N ATOM 162 NH2 ARG A 10 0.958 13.078 15.971 1.00 3.40 N ATOM 0 H ARG A 10 -2.181 16.442 10.582 1.00 0.82 H new ATOM 0 HA ARG A 10 -3.151 13.825 10.044 1.00 0.78 H new ATOM 0 HB2 ARG A 10 -0.976 14.586 11.158 1.00 0.85 H new ATOM 0 HB3 ARG A 10 -1.923 14.899 12.598 1.00 0.85 H new ATOM 0 HG2 ARG A 10 -2.589 12.261 11.621 1.00 0.98 H new ATOM 0 HG3 ARG A 10 -0.843 12.403 11.681 1.00 0.98 H new ATOM 0 HD2 ARG A 10 -2.661 13.055 14.031 1.00 2.06 H new ATOM 0 HD3 ARG A 10 -1.938 11.480 13.773 1.00 2.06 H new ATOM 0 HE ARG A 10 -0.010 13.704 13.797 1.00 1.95 H new ATOM 0 HH11 ARG A 10 -1.623 11.221 15.756 1.00 3.45 H new ATOM 0 HH12 ARG A 10 -0.408 11.328 17.034 1.00 3.45 H new ATOM 0 HH21 ARG A 10 1.471 13.802 15.469 1.00 3.40 H new ATOM 0 HH22 ARG A 10 1.294 12.749 16.876 1.00 3.40 H new ATOM 176 N ARG A 11 -4.807 15.539 12.335 1.00 0.87 N ATOM 177 CA ARG A 11 -6.080 15.641 13.065 1.00 0.94 C ATOM 178 C ARG A 11 -7.287 15.575 12.121 1.00 0.88 C ATOM 179 O ARG A 11 -8.216 14.813 12.388 1.00 0.89 O ATOM 180 CB ARG A 11 -6.073 16.935 13.913 1.00 1.06 C ATOM 181 CG ARG A 11 -7.354 17.164 14.730 1.00 1.46 C ATOM 182 CD ARG A 11 -8.420 18.061 14.074 1.00 2.78 C ATOM 183 NE ARG A 11 -8.111 19.487 14.283 1.00 3.13 N ATOM 184 CZ ARG A 11 -7.584 20.340 13.412 1.00 4.84 C ATOM 185 NH1 ARG A 11 -7.412 20.063 12.142 1.00 6.03 N ATOM 186 NH2 ARG A 11 -7.190 21.525 13.821 1.00 6.03 N ATOM 0 H ARG A 11 -4.219 16.365 12.449 1.00 0.87 H new ATOM 0 HA ARG A 11 -6.178 14.784 13.732 1.00 0.94 H new ATOM 0 HB2 ARG A 11 -5.223 16.904 14.594 1.00 1.06 H new ATOM 0 HB3 ARG A 11 -5.921 17.788 13.252 1.00 1.06 H new ATOM 0 HG2 ARG A 11 -7.804 16.194 14.943 1.00 1.46 H new ATOM 0 HG3 ARG A 11 -7.077 17.604 15.688 1.00 1.46 H new ATOM 0 HD2 ARG A 11 -8.472 17.849 13.006 1.00 2.78 H new ATOM 0 HD3 ARG A 11 -9.400 17.832 14.492 1.00 2.78 H new ATOM 0 HE ARG A 11 -8.328 19.863 15.206 1.00 3.13 H new ATOM 0 HH11 ARG A 11 -7.689 19.152 11.777 1.00 6.03 H new ATOM 0 HH12 ARG A 11 -7.002 20.759 11.519 1.00 6.03 H new ATOM 0 HH21 ARG A 11 -7.290 21.785 14.802 1.00 6.03 H new ATOM 0 HH22 ARG A 11 -6.784 22.185 13.157 1.00 6.03 H new ATOM 200 N THR A 12 -7.269 16.322 11.011 1.00 0.87 N ATOM 201 CA THR A 12 -8.342 16.312 9.999 1.00 0.87 C ATOM 202 C THR A 12 -8.451 14.950 9.327 1.00 0.79 C ATOM 203 O THR A 12 -9.560 14.442 9.175 1.00 0.83 O ATOM 204 CB THR A 12 -8.118 17.434 8.984 1.00 0.91 C ATOM 205 OG1 THR A 12 -8.339 18.640 9.684 1.00 1.11 O ATOM 206 CG2 THR A 12 -9.087 17.383 7.799 1.00 0.94 C ATOM 0 H THR A 12 -6.504 16.958 10.784 1.00 0.87 H new ATOM 0 HA THR A 12 -9.295 16.495 10.496 1.00 0.87 H new ATOM 0 HB THR A 12 -7.114 17.340 8.570 1.00 0.91 H new ATOM 0 HG1 THR A 12 -8.206 19.399 9.078 1.00 1.11 H new ATOM 0 HG21 THR A 12 -8.873 18.207 7.118 1.00 0.94 H new ATOM 0 HG22 THR A 12 -8.968 16.436 7.272 1.00 0.94 H new ATOM 0 HG23 THR A 12 -10.111 17.470 8.162 1.00 0.94 H new ATOM 214 N MET A 13 -7.320 14.322 8.996 1.00 0.71 N ATOM 215 CA MET A 13 -7.316 12.970 8.429 1.00 0.66 C ATOM 216 C MET A 13 -7.790 11.930 9.444 1.00 0.64 C ATOM 217 O MET A 13 -8.590 11.084 9.075 1.00 0.64 O ATOM 218 CB MET A 13 -5.953 12.632 7.795 1.00 0.68 C ATOM 219 CG MET A 13 -6.081 12.421 6.277 1.00 1.05 C ATOM 220 SD MET A 13 -6.901 13.728 5.311 1.00 1.39 S ATOM 221 CE MET A 13 -5.768 15.116 5.558 1.00 1.17 C ATOM 0 H MET A 13 -6.392 14.729 9.111 1.00 0.71 H new ATOM 0 HA MET A 13 -8.042 12.941 7.617 1.00 0.66 H new ATOM 0 HB2 MET A 13 -5.247 13.438 7.994 1.00 0.68 H new ATOM 0 HB3 MET A 13 -5.548 11.732 8.257 1.00 0.68 H new ATOM 0 HG2 MET A 13 -5.079 12.282 5.871 1.00 1.05 H new ATOM 0 HG3 MET A 13 -6.624 11.490 6.112 1.00 1.05 H new ATOM 0 HE1 MET A 13 -5.796 15.768 4.685 1.00 1.17 H new ATOM 0 HE2 MET A 13 -6.070 15.679 6.441 1.00 1.17 H new ATOM 0 HE3 MET A 13 -4.755 14.738 5.697 1.00 1.17 H new ATOM 231 N LEU A 14 -7.424 12.025 10.725 1.00 0.71 N ATOM 232 CA LEU A 14 -7.938 11.161 11.798 1.00 0.81 C ATOM 233 C LEU A 14 -9.451 11.297 11.983 1.00 0.83 C ATOM 234 O LEU A 14 -10.143 10.285 12.114 1.00 0.86 O ATOM 235 CB LEU A 14 -7.165 11.441 13.107 1.00 0.89 C ATOM 236 CG LEU A 14 -5.964 10.487 13.229 1.00 1.07 C ATOM 237 CD1 LEU A 14 -4.903 10.969 14.222 1.00 1.83 C ATOM 238 CD2 LEU A 14 -6.415 9.085 13.656 1.00 2.04 C ATOM 0 H LEU A 14 -6.750 12.716 11.054 1.00 0.71 H new ATOM 0 HA LEU A 14 -7.770 10.123 11.510 1.00 0.81 H new ATOM 0 HB2 LEU A 14 -6.820 12.475 13.120 1.00 0.89 H new ATOM 0 HB3 LEU A 14 -7.828 11.315 13.963 1.00 0.89 H new ATOM 0 HG LEU A 14 -5.517 10.463 12.235 1.00 1.07 H new ATOM 0 HD11 LEU A 14 -4.085 10.249 14.258 1.00 1.83 H new ATOM 0 HD12 LEU A 14 -4.520 11.938 13.903 1.00 1.83 H new ATOM 0 HD13 LEU A 14 -5.348 11.063 15.213 1.00 1.83 H new ATOM 0 HD21 LEU A 14 -5.546 8.431 13.734 1.00 2.04 H new ATOM 0 HD22 LEU A 14 -6.914 9.142 14.623 1.00 2.04 H new ATOM 0 HD23 LEU A 14 -7.105 8.683 12.914 1.00 2.04 H new ATOM 250 N LEU A 15 -9.982 12.520 11.925 1.00 0.82 N ATOM 251 CA LEU A 15 -11.418 12.782 12.006 1.00 0.85 C ATOM 252 C LEU A 15 -12.139 12.175 10.787 1.00 0.82 C ATOM 253 O LEU A 15 -13.139 11.477 10.957 1.00 0.86 O ATOM 254 CB LEU A 15 -11.601 14.308 12.188 1.00 0.90 C ATOM 255 CG LEU A 15 -12.879 14.798 12.901 1.00 0.87 C ATOM 256 CD1 LEU A 15 -14.138 14.514 12.084 1.00 0.92 C ATOM 257 CD2 LEU A 15 -13.036 14.204 14.309 1.00 0.84 C ATOM 0 H LEU A 15 -9.420 13.365 11.819 1.00 0.82 H new ATOM 0 HA LEU A 15 -11.884 12.296 12.863 1.00 0.85 H new ATOM 0 HB2 LEU A 15 -10.742 14.685 12.743 1.00 0.90 H new ATOM 0 HB3 LEU A 15 -11.570 14.769 11.201 1.00 0.90 H new ATOM 0 HG LEU A 15 -12.760 15.877 12.998 1.00 0.87 H new ATOM 0 HD11 LEU A 15 -15.012 14.876 12.625 1.00 0.92 H new ATOM 0 HD12 LEU A 15 -14.070 15.023 11.122 1.00 0.92 H new ATOM 0 HD13 LEU A 15 -14.231 13.440 11.921 1.00 0.92 H new ATOM 0 HD21 LEU A 15 -13.951 14.583 14.764 1.00 0.84 H new ATOM 0 HD22 LEU A 15 -13.087 13.117 14.242 1.00 0.84 H new ATOM 0 HD23 LEU A 15 -12.181 14.490 14.922 1.00 0.84 H new ATOM 269 N ARG A 16 -11.573 12.319 9.579 1.00 0.77 N ATOM 270 CA ARG A 16 -12.050 11.650 8.355 1.00 0.75 C ATOM 271 C ARG A 16 -11.989 10.117 8.464 1.00 0.69 C ATOM 272 O ARG A 16 -12.977 9.449 8.168 1.00 0.73 O ATOM 273 CB ARG A 16 -11.215 12.114 7.149 1.00 0.73 C ATOM 274 CG ARG A 16 -11.622 13.498 6.627 1.00 0.97 C ATOM 275 CD ARG A 16 -10.506 14.079 5.746 1.00 0.81 C ATOM 276 NE ARG A 16 -11.027 15.036 4.753 1.00 1.11 N ATOM 277 CZ ARG A 16 -11.389 14.758 3.503 1.00 1.62 C ATOM 278 NH1 ARG A 16 -11.306 13.551 2.987 1.00 3.12 N ATOM 279 NH2 ARG A 16 -11.851 15.716 2.729 1.00 2.17 N ATOM 0 H ARG A 16 -10.758 12.912 9.421 1.00 0.77 H new ATOM 0 HA ARG A 16 -13.095 11.928 8.220 1.00 0.75 H new ATOM 0 HB2 ARG A 16 -10.162 12.135 7.431 1.00 0.73 H new ATOM 0 HB3 ARG A 16 -11.315 11.386 6.344 1.00 0.73 H new ATOM 0 HG2 ARG A 16 -12.546 13.422 6.054 1.00 0.97 H new ATOM 0 HG3 ARG A 16 -11.821 14.167 7.464 1.00 0.97 H new ATOM 0 HD2 ARG A 16 -9.769 14.576 6.376 1.00 0.81 H new ATOM 0 HD3 ARG A 16 -9.991 13.268 5.232 1.00 0.81 H new ATOM 0 HE ARG A 16 -11.119 16.006 5.054 1.00 1.11 H new ATOM 0 HH11 ARG A 16 -10.952 12.779 3.551 1.00 3.12 H new ATOM 0 HH12 ARG A 16 -11.596 13.387 2.023 1.00 3.12 H new ATOM 0 HH21 ARG A 16 -11.931 16.668 3.088 1.00 2.17 H new ATOM 0 HH22 ARG A 16 -12.130 15.507 1.770 1.00 2.17 H new ATOM 293 N PHE A 17 -10.878 9.551 8.951 1.00 0.63 N ATOM 294 CA PHE A 17 -10.663 8.112 9.145 1.00 0.62 C ATOM 295 C PHE A 17 -11.662 7.510 10.148 1.00 0.72 C ATOM 296 O PHE A 17 -12.121 6.387 9.946 1.00 0.74 O ATOM 297 CB PHE A 17 -9.195 7.835 9.529 1.00 0.60 C ATOM 298 CG PHE A 17 -8.186 7.853 8.381 1.00 0.54 C ATOM 299 CD1 PHE A 17 -8.364 7.014 7.259 1.00 1.69 C ATOM 300 CD2 PHE A 17 -7.025 8.649 8.458 1.00 1.66 C ATOM 301 CE1 PHE A 17 -7.408 6.995 6.225 1.00 1.68 C ATOM 302 CE2 PHE A 17 -6.069 8.634 7.426 1.00 1.74 C ATOM 303 CZ PHE A 17 -6.263 7.807 6.305 1.00 0.72 C ATOM 0 H PHE A 17 -10.070 10.107 9.232 1.00 0.63 H new ATOM 0 HA PHE A 17 -10.855 7.608 8.198 1.00 0.62 H new ATOM 0 HB2 PHE A 17 -8.888 8.575 10.268 1.00 0.60 H new ATOM 0 HB3 PHE A 17 -9.145 6.860 10.015 1.00 0.60 H new ATOM 0 HD1 PHE A 17 -9.238 6.383 7.194 1.00 1.69 H new ATOM 0 HD2 PHE A 17 -6.867 9.279 9.321 1.00 1.66 H new ATOM 0 HE1 PHE A 17 -7.555 6.355 5.368 1.00 1.68 H new ATOM 0 HE2 PHE A 17 -5.189 9.256 7.494 1.00 1.74 H new ATOM 0 HZ PHE A 17 -5.534 7.796 5.508 1.00 0.72 H new ATOM 313 N GLN A 18 -12.060 8.265 11.177 1.00 0.82 N ATOM 314 CA GLN A 18 -13.154 7.877 12.078 1.00 0.96 C ATOM 315 C GLN A 18 -14.536 8.002 11.394 1.00 1.01 C ATOM 316 O GLN A 18 -15.413 7.171 11.633 1.00 1.21 O ATOM 317 CB GLN A 18 -13.041 8.715 13.367 1.00 1.05 C ATOM 318 CG GLN A 18 -13.631 8.023 14.609 1.00 1.34 C ATOM 319 CD GLN A 18 -15.163 7.967 14.642 1.00 2.95 C ATOM 320 OE1 GLN A 18 -15.857 8.968 14.494 1.00 3.73 O ATOM 321 NE2 GLN A 18 -15.750 6.805 14.855 1.00 4.03 N ATOM 0 H GLN A 18 -11.634 9.162 11.410 1.00 0.82 H new ATOM 0 HA GLN A 18 -13.064 6.822 12.338 1.00 0.96 H new ATOM 0 HB2 GLN A 18 -11.991 8.941 13.552 1.00 1.05 H new ATOM 0 HB3 GLN A 18 -13.550 9.667 13.217 1.00 1.05 H new ATOM 0 HG2 GLN A 18 -13.242 7.006 14.661 1.00 1.34 H new ATOM 0 HG3 GLN A 18 -13.280 8.544 15.500 1.00 1.34 H new ATOM 0 HE21 GLN A 18 -15.186 5.964 14.980 1.00 4.03 H new ATOM 0 HE22 GLN A 18 -16.768 6.747 14.895 1.00 4.03 H new ATOM 330 N ARG A 19 -14.722 8.978 10.491 1.00 0.91 N ATOM 331 CA ARG A 19 -15.980 9.211 9.758 1.00 0.98 C ATOM 332 C ARG A 19 -16.289 8.179 8.658 1.00 1.02 C ATOM 333 O ARG A 19 -17.440 8.102 8.226 1.00 1.17 O ATOM 334 CB ARG A 19 -15.979 10.625 9.131 1.00 0.98 C ATOM 335 CG ARG A 19 -17.085 11.508 9.718 1.00 1.21 C ATOM 336 CD ARG A 19 -16.745 11.974 11.139 1.00 0.90 C ATOM 337 NE ARG A 19 -17.950 12.416 11.862 1.00 1.22 N ATOM 338 CZ ARG A 19 -18.787 11.639 12.544 1.00 1.84 C ATOM 339 NH1 ARG A 19 -18.583 10.346 12.693 1.00 2.67 N ATOM 340 NH2 ARG A 19 -19.861 12.165 13.091 1.00 2.32 N ATOM 0 H ARG A 19 -13.988 9.642 10.244 1.00 0.91 H new ATOM 0 HA ARG A 19 -16.765 9.108 10.507 1.00 0.98 H new ATOM 0 HB2 ARG A 19 -15.010 11.096 9.298 1.00 0.98 H new ATOM 0 HB3 ARG A 19 -16.112 10.544 8.052 1.00 0.98 H new ATOM 0 HG2 ARG A 19 -17.236 12.376 9.077 1.00 1.21 H new ATOM 0 HG3 ARG A 19 -18.024 10.954 9.731 1.00 1.21 H new ATOM 0 HD2 ARG A 19 -16.268 11.161 11.686 1.00 0.90 H new ATOM 0 HD3 ARG A 19 -16.026 12.792 11.093 1.00 0.90 H new ATOM 0 HE ARG A 19 -18.163 13.413 11.837 1.00 1.22 H new ATOM 0 HH11 ARG A 19 -17.760 9.908 12.278 1.00 2.67 H new ATOM 0 HH12 ARG A 19 -19.248 9.783 13.223 1.00 2.67 H new ATOM 0 HH21 ARG A 19 -20.048 13.163 12.991 1.00 2.32 H new ATOM 0 HH22 ARG A 19 -20.507 11.575 13.615 1.00 2.32 H new ATOM 354 N MET A 20 -15.304 7.393 8.203 1.00 0.90 N ATOM 355 CA MET A 20 -15.438 6.439 7.083 1.00 0.94 C ATOM 356 C MET A 20 -16.629 5.480 7.203 1.00 1.26 C ATOM 357 O MET A 20 -17.261 5.173 6.196 1.00 3.06 O ATOM 358 CB MET A 20 -14.150 5.610 6.944 1.00 0.76 C ATOM 359 CG MET A 20 -12.919 6.465 6.649 1.00 0.73 C ATOM 360 SD MET A 20 -13.036 7.623 5.267 1.00 0.87 S ATOM 361 CE MET A 20 -11.363 8.286 5.361 1.00 0.69 C ATOM 0 H MET A 20 -14.369 7.400 8.610 1.00 0.90 H new ATOM 0 HA MET A 20 -15.617 7.053 6.200 1.00 0.94 H new ATOM 0 HB2 MET A 20 -13.984 5.049 7.864 1.00 0.76 H new ATOM 0 HB3 MET A 20 -14.279 4.880 6.145 1.00 0.76 H new ATOM 0 HG2 MET A 20 -12.678 7.033 7.547 1.00 0.73 H new ATOM 0 HG3 MET A 20 -12.079 5.796 6.460 1.00 0.73 H new ATOM 0 HE1 MET A 20 -11.267 9.129 4.677 1.00 0.69 H new ATOM 0 HE2 MET A 20 -11.161 8.620 6.379 1.00 0.69 H new ATOM 0 HE3 MET A 20 -10.648 7.511 5.085 1.00 0.69 H new ATOM 371 N GLU A 21 -16.900 4.970 8.411 1.00 1.01 N ATOM 372 CA GLU A 21 -18.012 4.063 8.756 1.00 1.03 C ATOM 373 C GLU A 21 -17.863 2.638 8.177 1.00 1.09 C ATOM 374 O GLU A 21 -18.554 1.718 8.623 1.00 1.10 O ATOM 375 CB GLU A 21 -19.365 4.688 8.350 1.00 1.07 C ATOM 376 CG GLU A 21 -20.536 4.193 9.209 1.00 1.83 C ATOM 377 CD GLU A 21 -21.789 5.053 8.987 1.00 2.12 C ATOM 378 OE1 GLU A 21 -22.537 4.806 8.010 1.00 3.09 O ATOM 379 OE2 GLU A 21 -22.045 5.977 9.797 1.00 2.43 O ATOM 0 H GLU A 21 -16.320 5.189 9.221 1.00 1.01 H new ATOM 0 HA GLU A 21 -17.980 3.942 9.839 1.00 1.03 H new ATOM 0 HB2 GLU A 21 -19.296 5.773 8.430 1.00 1.07 H new ATOM 0 HB3 GLU A 21 -19.566 4.457 7.304 1.00 1.07 H new ATOM 0 HG2 GLU A 21 -20.757 3.154 8.964 1.00 1.83 H new ATOM 0 HG3 GLU A 21 -20.255 4.220 10.262 1.00 1.83 H new ATOM 386 N THR A 22 -16.957 2.444 7.205 1.00 1.16 N ATOM 387 CA THR A 22 -16.678 1.180 6.513 1.00 1.24 C ATOM 388 C THR A 22 -15.190 1.037 6.203 1.00 1.18 C ATOM 389 O THR A 22 -14.482 2.025 5.997 1.00 1.11 O ATOM 390 CB THR A 22 -17.488 1.050 5.212 1.00 1.31 C ATOM 391 OG1 THR A 22 -16.990 1.939 4.236 1.00 1.28 O ATOM 392 CG2 THR A 22 -18.988 1.310 5.370 1.00 1.34 C ATOM 0 H THR A 22 -16.370 3.206 6.865 1.00 1.16 H new ATOM 0 HA THR A 22 -16.980 0.380 7.189 1.00 1.24 H new ATOM 0 HB THR A 22 -17.370 0.010 4.909 1.00 1.31 H new ATOM 0 HG1 THR A 22 -17.512 1.846 3.412 1.00 1.28 H new ATOM 0 HG21 THR A 22 -19.481 1.197 4.404 1.00 1.34 H new ATOM 0 HG22 THR A 22 -19.409 0.596 6.078 1.00 1.34 H new ATOM 0 HG23 THR A 22 -19.145 2.323 5.741 1.00 1.34 H new ATOM 400 N ALA A 23 -14.725 -0.211 6.093 1.00 1.22 N ATOM 401 CA ALA A 23 -13.371 -0.542 5.635 1.00 1.17 C ATOM 402 C ALA A 23 -13.139 -0.063 4.191 1.00 1.12 C ATOM 403 O ALA A 23 -12.025 0.317 3.827 1.00 1.05 O ATOM 404 CB ALA A 23 -13.191 -2.060 5.764 1.00 1.31 C ATOM 0 H ALA A 23 -15.286 -1.032 6.323 1.00 1.22 H new ATOM 0 HA ALA A 23 -12.630 -0.030 6.249 1.00 1.17 H new ATOM 0 HB1 ALA A 23 -12.191 -2.338 5.430 1.00 1.31 H new ATOM 0 HB2 ALA A 23 -13.321 -2.355 6.805 1.00 1.31 H new ATOM 0 HB3 ALA A 23 -13.933 -2.568 5.148 1.00 1.31 H new ATOM 410 N GLU A 24 -14.209 -0.041 3.392 1.00 1.18 N ATOM 411 CA GLU A 24 -14.204 0.399 1.999 1.00 1.19 C ATOM 412 C GLU A 24 -13.812 1.878 1.896 1.00 1.05 C ATOM 413 O GLU A 24 -12.908 2.224 1.139 1.00 1.05 O ATOM 414 CB GLU A 24 -15.551 0.114 1.314 1.00 1.35 C ATOM 415 CG GLU A 24 -16.020 -1.338 1.500 1.00 1.59 C ATOM 416 CD GLU A 24 -17.248 -1.645 0.629 1.00 1.67 C ATOM 417 OE1 GLU A 24 -18.392 -1.411 1.083 1.00 2.68 O ATOM 418 OE2 GLU A 24 -17.075 -2.138 -0.512 1.00 2.22 O ATOM 0 H GLU A 24 -15.131 -0.339 3.710 1.00 1.18 H new ATOM 0 HA GLU A 24 -13.449 -0.179 1.466 1.00 1.19 H new ATOM 0 HB2 GLU A 24 -16.307 0.789 1.715 1.00 1.35 H new ATOM 0 HB3 GLU A 24 -15.464 0.329 0.249 1.00 1.35 H new ATOM 0 HG2 GLU A 24 -15.209 -2.020 1.243 1.00 1.59 H new ATOM 0 HG3 GLU A 24 -16.262 -1.512 2.548 1.00 1.59 H new ATOM 425 N GLU A 25 -14.422 2.751 2.707 1.00 0.96 N ATOM 426 CA GLU A 25 -14.101 4.183 2.718 1.00 0.86 C ATOM 427 C GLU A 25 -12.674 4.473 3.232 1.00 0.77 C ATOM 428 O GLU A 25 -12.026 5.385 2.712 1.00 0.72 O ATOM 429 CB GLU A 25 -15.176 4.965 3.487 1.00 0.85 C ATOM 430 CG GLU A 25 -16.272 5.537 2.573 1.00 1.49 C ATOM 431 CD GLU A 25 -15.925 6.952 2.090 1.00 2.16 C ATOM 432 OE1 GLU A 25 -15.279 7.079 1.025 1.00 3.53 O ATOM 433 OE2 GLU A 25 -16.333 7.941 2.744 1.00 2.76 O ATOM 0 H GLU A 25 -15.149 2.486 3.371 1.00 0.96 H new ATOM 0 HA GLU A 25 -14.108 4.532 1.685 1.00 0.86 H new ATOM 0 HB2 GLU A 25 -15.634 4.310 4.228 1.00 0.85 H new ATOM 0 HB3 GLU A 25 -14.703 5.781 4.033 1.00 0.85 H new ATOM 0 HG2 GLU A 25 -16.408 4.882 1.713 1.00 1.49 H new ATOM 0 HG3 GLU A 25 -17.220 5.558 3.110 1.00 1.49 H new ATOM 440 N VAL A 26 -12.135 3.678 4.171 1.00 0.77 N ATOM 441 CA VAL A 26 -10.731 3.824 4.630 1.00 0.70 C ATOM 442 C VAL A 26 -9.754 3.585 3.469 1.00 0.72 C ATOM 443 O VAL A 26 -8.804 4.349 3.300 1.00 0.70 O ATOM 444 CB VAL A 26 -10.389 2.881 5.812 1.00 0.77 C ATOM 445 CG1 VAL A 26 -8.915 3.000 6.228 1.00 0.73 C ATOM 446 CG2 VAL A 26 -11.243 3.170 7.060 1.00 0.81 C ATOM 0 H VAL A 26 -12.646 2.925 4.632 1.00 0.77 H new ATOM 0 HA VAL A 26 -10.625 4.848 4.989 1.00 0.70 H new ATOM 0 HB VAL A 26 -10.601 1.877 5.445 1.00 0.77 H new ATOM 0 HG11 VAL A 26 -8.716 2.323 7.059 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -8.277 2.737 5.385 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -8.705 4.024 6.536 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -10.964 2.483 7.859 1.00 0.81 H new ATOM 0 HG22 VAL A 26 -11.073 4.195 7.388 1.00 0.81 H new ATOM 0 HG23 VAL A 26 -12.297 3.037 6.818 1.00 0.81 H new ATOM 456 N TYR A 27 -9.998 2.562 2.642 1.00 0.80 N ATOM 457 CA TYR A 27 -9.158 2.255 1.478 1.00 0.86 C ATOM 458 C TYR A 27 -9.442 3.221 0.297 1.00 0.86 C ATOM 459 O TYR A 27 -8.547 3.587 -0.466 1.00 0.89 O ATOM 460 CB TYR A 27 -9.283 0.748 1.148 1.00 1.03 C ATOM 461 CG TYR A 27 -10.113 0.351 -0.060 1.00 1.13 C ATOM 462 CD1 TYR A 27 -9.717 0.713 -1.362 1.00 1.57 C ATOM 463 CD2 TYR A 27 -11.276 -0.417 0.119 1.00 2.04 C ATOM 464 CE1 TYR A 27 -10.521 0.384 -2.469 1.00 1.69 C ATOM 465 CE2 TYR A 27 -12.105 -0.732 -0.975 1.00 2.13 C ATOM 466 CZ TYR A 27 -11.729 -0.326 -2.277 1.00 1.41 C ATOM 467 OH TYR A 27 -12.518 -0.621 -3.348 1.00 1.56 O ATOM 0 H TYR A 27 -10.784 1.923 2.761 1.00 0.80 H new ATOM 0 HA TYR A 27 -8.107 2.434 1.706 1.00 0.86 H new ATOM 0 HB2 TYR A 27 -8.277 0.352 1.007 1.00 1.03 H new ATOM 0 HB3 TYR A 27 -9.703 0.248 2.021 1.00 1.03 H new ATOM 0 HD1 TYR A 27 -8.790 1.247 -1.512 1.00 1.57 H new ATOM 0 HD2 TYR A 27 -11.537 -0.769 1.106 1.00 2.04 H new ATOM 0 HE1 TYR A 27 -10.216 0.673 -3.464 1.00 1.69 H new ATOM 0 HE2 TYR A 27 -13.023 -1.280 -0.821 1.00 2.13 H new ATOM 0 HH TYR A 27 -13.310 -1.113 -3.045 1.00 1.56 H new ATOM 477 N HIS A 28 -10.683 3.686 0.164 1.00 0.86 N ATOM 478 CA HIS A 28 -11.109 4.667 -0.834 1.00 0.88 C ATOM 479 C HIS A 28 -10.412 6.026 -0.662 1.00 0.80 C ATOM 480 O HIS A 28 -9.904 6.556 -1.644 1.00 0.87 O ATOM 481 CB HIS A 28 -12.630 4.804 -0.755 1.00 0.93 C ATOM 482 CG HIS A 28 -13.279 5.693 -1.780 1.00 1.02 C ATOM 483 ND1 HIS A 28 -14.322 6.545 -1.520 1.00 1.08 N ATOM 484 CD2 HIS A 28 -13.066 5.720 -3.134 1.00 1.16 C ATOM 485 CE1 HIS A 28 -14.747 7.059 -2.680 1.00 1.24 C ATOM 486 NE2 HIS A 28 -14.006 6.593 -3.704 1.00 1.29 N ATOM 0 H HIS A 28 -11.446 3.380 0.768 1.00 0.86 H new ATOM 0 HA HIS A 28 -10.817 4.313 -1.823 1.00 0.88 H new ATOM 0 HB2 HIS A 28 -13.067 3.809 -0.841 1.00 0.93 H new ATOM 0 HB3 HIS A 28 -12.887 5.181 0.235 1.00 0.93 H new ATOM 0 HD1 HIS A 28 -14.708 6.752 -0.599 1.00 1.08 H new ATOM 0 HD2 HIS A 28 -12.308 5.167 -3.668 1.00 1.16 H new ATOM 0 HE1 HIS A 28 -15.570 7.751 -2.781 1.00 1.24 H new ATOM 494 N GLU A 29 -10.331 6.571 0.559 1.00 0.70 N ATOM 495 CA GLU A 29 -9.666 7.858 0.845 1.00 0.66 C ATOM 496 C GLU A 29 -8.210 7.871 0.355 1.00 0.61 C ATOM 497 O GLU A 29 -7.736 8.820 -0.276 1.00 0.63 O ATOM 498 CB GLU A 29 -9.709 8.072 2.370 1.00 0.81 C ATOM 499 CG GLU A 29 -8.927 9.274 2.930 1.00 1.23 C ATOM 500 CD GLU A 29 -9.673 10.602 2.753 1.00 1.07 C ATOM 501 OE1 GLU A 29 -9.847 11.068 1.603 1.00 2.24 O ATOM 502 OE2 GLU A 29 -10.088 11.197 3.774 1.00 2.04 O ATOM 0 H GLU A 29 -10.728 6.129 1.388 1.00 0.70 H new ATOM 0 HA GLU A 29 -10.185 8.658 0.318 1.00 0.66 H new ATOM 0 HB2 GLU A 29 -10.752 8.178 2.668 1.00 0.81 H new ATOM 0 HB3 GLU A 29 -9.331 7.169 2.849 1.00 0.81 H new ATOM 0 HG2 GLU A 29 -8.730 9.112 3.990 1.00 1.23 H new ATOM 0 HG3 GLU A 29 -7.960 9.337 2.432 1.00 1.23 H new ATOM 509 N ILE A 30 -7.477 6.804 0.664 1.00 0.59 N ATOM 510 CA ILE A 30 -6.045 6.710 0.337 1.00 0.59 C ATOM 511 C ILE A 30 -5.795 6.479 -1.170 1.00 0.64 C ATOM 512 O ILE A 30 -4.808 6.983 -1.705 1.00 0.66 O ATOM 513 CB ILE A 30 -5.377 5.686 1.272 1.00 0.59 C ATOM 514 CG1 ILE A 30 -5.889 4.262 1.034 1.00 0.66 C ATOM 515 CG2 ILE A 30 -5.638 6.107 2.738 1.00 0.56 C ATOM 516 CD1 ILE A 30 -5.224 3.227 1.932 1.00 0.72 C ATOM 0 H ILE A 30 -7.849 5.984 1.144 1.00 0.59 H new ATOM 0 HA ILE A 30 -5.563 7.670 0.523 1.00 0.59 H new ATOM 0 HB ILE A 30 -4.308 5.677 1.061 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -6.966 4.238 1.199 1.00 0.66 H new ATOM 0 HG13 ILE A 30 -5.720 3.992 -0.008 1.00 0.66 H new ATOM 0 HG21 ILE A 30 -5.170 5.389 3.412 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.217 7.097 2.913 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -6.712 6.132 2.924 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -5.631 2.240 1.713 1.00 0.72 H new ATOM 0 HD12 ILE A 30 -4.149 3.225 1.750 1.00 0.72 H new ATOM 0 HD13 ILE A 30 -5.415 3.475 2.976 1.00 0.72 H new ATOM 528 N GLU A 31 -6.716 5.806 -1.873 1.00 0.69 N ATOM 529 CA GLU A 31 -6.756 5.730 -3.344 1.00 0.71 C ATOM 530 C GLU A 31 -7.141 7.078 -3.961 1.00 0.69 C ATOM 531 O GLU A 31 -6.518 7.502 -4.930 1.00 0.67 O ATOM 532 CB GLU A 31 -7.747 4.635 -3.771 1.00 0.77 C ATOM 533 CG GLU A 31 -8.256 4.641 -5.225 1.00 1.70 C ATOM 534 CD GLU A 31 -7.212 4.209 -6.267 1.00 2.68 C ATOM 535 OE1 GLU A 31 -7.109 2.989 -6.524 1.00 3.83 O ATOM 536 OE2 GLU A 31 -6.566 5.076 -6.894 1.00 3.24 O ATOM 0 H GLU A 31 -7.472 5.287 -1.427 1.00 0.69 H new ATOM 0 HA GLU A 31 -5.760 5.478 -3.708 1.00 0.71 H new ATOM 0 HB2 GLU A 31 -7.276 3.669 -3.587 1.00 0.77 H new ATOM 0 HB3 GLU A 31 -8.615 4.697 -3.114 1.00 0.77 H new ATOM 0 HG2 GLU A 31 -9.119 3.979 -5.297 1.00 1.70 H new ATOM 0 HG3 GLU A 31 -8.603 5.645 -5.471 1.00 1.70 H new ATOM 543 N LEU A 32 -8.129 7.790 -3.410 1.00 0.72 N ATOM 544 CA LEU A 32 -8.509 9.123 -3.877 1.00 0.77 C ATOM 545 C LEU A 32 -7.288 10.050 -3.886 1.00 0.72 C ATOM 546 O LEU A 32 -7.061 10.734 -4.876 1.00 0.83 O ATOM 547 CB LEU A 32 -9.661 9.677 -3.013 1.00 0.81 C ATOM 548 CG LEU A 32 -11.066 9.137 -3.360 1.00 0.95 C ATOM 549 CD1 LEU A 32 -12.058 9.600 -2.283 1.00 1.05 C ATOM 550 CD2 LEU A 32 -11.546 9.622 -4.737 1.00 1.07 C ATOM 0 H LEU A 32 -8.688 7.455 -2.625 1.00 0.72 H new ATOM 0 HA LEU A 32 -8.873 9.061 -4.903 1.00 0.77 H new ATOM 0 HB2 LEU A 32 -9.451 9.450 -1.968 1.00 0.81 H new ATOM 0 HB3 LEU A 32 -9.674 10.763 -3.107 1.00 0.81 H new ATOM 0 HG LEU A 32 -11.011 8.049 -3.394 1.00 0.95 H new ATOM 0 HD11 LEU A 32 -13.053 9.224 -2.519 1.00 1.05 H new ATOM 0 HD12 LEU A 32 -11.746 9.216 -1.312 1.00 1.05 H new ATOM 0 HD13 LEU A 32 -12.080 10.689 -2.253 1.00 1.05 H new ATOM 0 HD21 LEU A 32 -12.538 9.218 -4.940 1.00 1.07 H new ATOM 0 HD22 LEU A 32 -11.589 10.711 -4.744 1.00 1.07 H new ATOM 0 HD23 LEU A 32 -10.852 9.281 -5.505 1.00 1.07 H new ATOM 562 N GLN A 33 -6.442 10.043 -2.859 1.00 0.60 N ATOM 563 CA GLN A 33 -5.200 10.818 -2.904 1.00 0.66 C ATOM 564 C GLN A 33 -4.185 10.314 -3.952 1.00 0.68 C ATOM 565 O GLN A 33 -3.459 11.130 -4.514 1.00 0.83 O ATOM 566 CB GLN A 33 -4.612 10.924 -1.487 1.00 0.65 C ATOM 567 CG GLN A 33 -3.465 11.947 -1.418 1.00 0.96 C ATOM 568 CD GLN A 33 -3.185 12.405 0.012 1.00 1.42 C ATOM 569 OE1 GLN A 33 -2.343 11.864 0.715 1.00 2.09 O ATOM 570 NE2 GLN A 33 -3.880 13.415 0.500 1.00 2.99 N ATOM 0 H GLN A 33 -6.588 9.518 -1.996 1.00 0.60 H new ATOM 0 HA GLN A 33 -5.445 11.821 -3.252 1.00 0.66 H new ATOM 0 HB2 GLN A 33 -5.398 11.212 -0.788 1.00 0.65 H new ATOM 0 HB3 GLN A 33 -4.247 9.947 -1.171 1.00 0.65 H new ATOM 0 HG2 GLN A 33 -2.562 11.506 -1.840 1.00 0.96 H new ATOM 0 HG3 GLN A 33 -3.715 12.812 -2.032 1.00 0.96 H new ATOM 0 HE21 GLN A 33 -4.585 13.875 -0.076 1.00 2.99 H new ATOM 0 HE22 GLN A 33 -3.712 13.736 1.453 1.00 2.99 H new ATOM 579 N ALA A 34 -4.142 9.017 -4.279 1.00 0.62 N ATOM 580 CA ALA A 34 -3.294 8.491 -5.356 1.00 0.68 C ATOM 581 C ALA A 34 -3.766 8.955 -6.747 1.00 0.74 C ATOM 582 O ALA A 34 -2.983 9.491 -7.537 1.00 0.71 O ATOM 583 CB ALA A 34 -3.284 6.956 -5.278 1.00 0.72 C ATOM 0 H ALA A 34 -4.694 8.302 -3.805 1.00 0.62 H new ATOM 0 HA ALA A 34 -2.285 8.881 -5.220 1.00 0.68 H new ATOM 0 HB1 ALA A 34 -2.657 6.555 -6.074 1.00 0.72 H new ATOM 0 HB2 ALA A 34 -2.888 6.643 -4.312 1.00 0.72 H new ATOM 0 HB3 ALA A 34 -4.300 6.579 -5.393 1.00 0.72 H new ATOM 589 N GLN A 35 -5.048 8.744 -7.050 1.00 0.90 N ATOM 590 CA GLN A 35 -5.663 9.124 -8.327 1.00 1.06 C ATOM 591 C GLN A 35 -5.749 10.646 -8.538 1.00 1.11 C ATOM 592 O GLN A 35 -5.589 11.102 -9.669 1.00 1.17 O ATOM 593 CB GLN A 35 -7.008 8.414 -8.552 1.00 1.49 C ATOM 594 CG GLN A 35 -8.035 8.621 -7.440 1.00 1.06 C ATOM 595 CD GLN A 35 -9.358 9.185 -7.947 1.00 2.32 C ATOM 596 OE1 GLN A 35 -9.581 10.391 -7.958 1.00 3.36 O ATOM 597 NE2 GLN A 35 -10.280 8.355 -8.392 1.00 2.73 N ATOM 0 H GLN A 35 -5.700 8.297 -6.406 1.00 0.90 H new ATOM 0 HA GLN A 35 -4.986 8.769 -9.104 1.00 1.06 H new ATOM 0 HB2 GLN A 35 -7.435 8.764 -9.492 1.00 1.49 H new ATOM 0 HB3 GLN A 35 -6.825 7.345 -8.664 1.00 1.49 H new ATOM 0 HG2 GLN A 35 -8.219 7.669 -6.942 1.00 1.06 H new ATOM 0 HG3 GLN A 35 -7.621 9.297 -6.692 1.00 1.06 H new ATOM 0 HE21 GLN A 35 -10.106 7.350 -8.388 1.00 2.73 H new ATOM 0 HE22 GLN A 35 -11.167 8.718 -8.741 1.00 2.73 H new ATOM 606 N GLN A 36 -5.971 11.448 -7.484 1.00 1.15 N ATOM 607 CA GLN A 36 -6.056 12.911 -7.598 1.00 1.37 C ATOM 608 C GLN A 36 -4.718 13.539 -8.021 1.00 1.22 C ATOM 609 O GLN A 36 -4.712 14.606 -8.640 1.00 1.43 O ATOM 610 CB GLN A 36 -6.553 13.510 -6.266 1.00 1.57 C ATOM 611 CG GLN A 36 -8.077 13.396 -6.068 1.00 2.13 C ATOM 612 CD GLN A 36 -8.898 14.062 -7.173 1.00 2.98 C ATOM 613 OE1 GLN A 36 -8.970 15.279 -7.289 1.00 2.87 O ATOM 614 NE2 GLN A 36 -9.535 13.300 -8.039 1.00 4.29 N ATOM 0 H GLN A 36 -6.096 11.101 -6.533 1.00 1.15 H new ATOM 0 HA GLN A 36 -6.772 13.146 -8.385 1.00 1.37 H new ATOM 0 HB2 GLN A 36 -6.049 13.007 -5.441 1.00 1.57 H new ATOM 0 HB3 GLN A 36 -6.267 14.561 -6.221 1.00 1.57 H new ATOM 0 HG2 GLN A 36 -8.348 12.342 -6.013 1.00 2.13 H new ATOM 0 HG3 GLN A 36 -8.343 13.844 -5.111 1.00 2.13 H new ATOM 0 HE21 GLN A 36 -9.486 12.284 -7.957 1.00 4.29 H new ATOM 0 HE22 GLN A 36 -10.077 13.726 -8.791 1.00 4.29 H new ATOM 623 N LEU A 37 -3.598 12.868 -7.731 1.00 0.93 N ATOM 624 CA LEU A 37 -2.253 13.251 -8.174 1.00 0.89 C ATOM 625 C LEU A 37 -1.863 12.605 -9.521 1.00 0.79 C ATOM 626 O LEU A 37 -0.759 12.844 -10.010 1.00 0.81 O ATOM 627 CB LEU A 37 -1.263 12.908 -7.044 1.00 0.83 C ATOM 628 CG LEU A 37 -1.583 13.583 -5.690 1.00 1.01 C ATOM 629 CD1 LEU A 37 -0.563 13.127 -4.639 1.00 1.11 C ATOM 630 CD2 LEU A 37 -1.621 15.113 -5.781 1.00 1.56 C ATOM 0 H LEU A 37 -3.602 12.019 -7.165 1.00 0.93 H new ATOM 0 HA LEU A 37 -2.227 14.323 -8.368 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -1.250 11.827 -6.904 1.00 0.83 H new ATOM 0 HB3 LEU A 37 -0.260 13.201 -7.354 1.00 0.83 H new ATOM 0 HG LEU A 37 -2.585 13.271 -5.395 1.00 1.01 H new ATOM 0 HD11 LEU A 37 -0.787 13.602 -3.684 1.00 1.11 H new ATOM 0 HD12 LEU A 37 -0.616 12.044 -4.527 1.00 1.11 H new ATOM 0 HD13 LEU A 37 0.440 13.410 -4.958 1.00 1.11 H new ATOM 0 HD21 LEU A 37 -1.850 15.530 -4.800 1.00 1.56 H new ATOM 0 HD22 LEU A 37 -0.651 15.482 -6.115 1.00 1.56 H new ATOM 0 HD23 LEU A 37 -2.389 15.416 -6.493 1.00 1.56 H new ATOM 642 N GLU A 38 -2.759 11.811 -10.123 1.00 0.78 N ATOM 643 CA GLU A 38 -2.620 11.169 -11.438 1.00 0.78 C ATOM 644 C GLU A 38 -1.395 10.235 -11.521 1.00 0.61 C ATOM 645 O GLU A 38 -0.681 10.209 -12.527 1.00 0.73 O ATOM 646 CB GLU A 38 -2.663 12.200 -12.587 1.00 0.98 C ATOM 647 CG GLU A 38 -3.967 13.007 -12.615 1.00 1.62 C ATOM 648 CD GLU A 38 -4.085 13.826 -13.912 1.00 1.86 C ATOM 649 OE1 GLU A 38 -3.233 14.714 -14.161 1.00 2.24 O ATOM 650 OE2 GLU A 38 -5.042 13.596 -14.691 1.00 2.49 O ATOM 0 H GLU A 38 -3.650 11.587 -9.681 1.00 0.78 H new ATOM 0 HA GLU A 38 -3.489 10.523 -11.563 1.00 0.78 H new ATOM 0 HB2 GLU A 38 -1.820 12.884 -12.487 1.00 0.98 H new ATOM 0 HB3 GLU A 38 -2.542 11.682 -13.538 1.00 0.98 H new ATOM 0 HG2 GLU A 38 -4.818 12.331 -12.529 1.00 1.62 H new ATOM 0 HG3 GLU A 38 -4.003 13.675 -11.755 1.00 1.62 H new ATOM 657 N TYR A 39 -1.127 9.465 -10.458 1.00 0.50 N ATOM 658 CA TYR A 39 0.017 8.549 -10.404 1.00 0.50 C ATOM 659 C TYR A 39 -0.071 7.438 -11.474 1.00 0.49 C ATOM 660 O TYR A 39 0.823 7.298 -12.314 1.00 0.54 O ATOM 661 CB TYR A 39 0.066 7.945 -8.989 1.00 0.53 C ATOM 662 CG TYR A 39 0.900 8.678 -7.949 1.00 0.61 C ATOM 663 CD1 TYR A 39 0.974 10.085 -7.916 1.00 1.97 C ATOM 664 CD2 TYR A 39 1.591 7.928 -6.977 1.00 2.01 C ATOM 665 CE1 TYR A 39 1.719 10.733 -6.914 1.00 2.12 C ATOM 666 CE2 TYR A 39 2.327 8.566 -5.961 1.00 2.08 C ATOM 667 CZ TYR A 39 2.383 9.977 -5.925 1.00 1.12 C ATOM 668 OH TYR A 39 3.091 10.608 -4.952 1.00 1.47 O ATOM 0 H TYR A 39 -1.698 9.461 -9.613 1.00 0.50 H new ATOM 0 HA TYR A 39 0.931 9.102 -10.620 1.00 0.50 H new ATOM 0 HB2 TYR A 39 -0.956 7.876 -8.615 1.00 0.53 H new ATOM 0 HB3 TYR A 39 0.445 6.926 -9.069 1.00 0.53 H new ATOM 0 HD1 TYR A 39 0.456 10.668 -8.663 1.00 1.97 H new ATOM 0 HD2 TYR A 39 1.555 6.849 -7.012 1.00 2.01 H new ATOM 0 HE1 TYR A 39 1.783 11.811 -6.902 1.00 2.12 H new ATOM 0 HE2 TYR A 39 2.845 7.981 -5.215 1.00 2.08 H new ATOM 0 HH TYR A 39 3.485 9.942 -4.351 1.00 1.47 H new ATOM 678 N ASP A 40 -1.158 6.662 -11.419 1.00 0.47 N ATOM 679 CA ASP A 40 -1.429 5.389 -12.108 1.00 0.48 C ATOM 680 C ASP A 40 -2.646 4.746 -11.424 1.00 0.40 C ATOM 681 O ASP A 40 -3.778 4.836 -11.896 1.00 0.51 O ATOM 682 CB ASP A 40 -0.224 4.411 -12.020 1.00 0.70 C ATOM 683 CG ASP A 40 0.647 4.249 -13.262 1.00 1.33 C ATOM 684 OD1 ASP A 40 0.336 4.815 -14.334 1.00 2.27 O ATOM 685 OD2 ASP A 40 1.631 3.488 -13.121 1.00 2.33 O ATOM 0 H ASP A 40 -1.949 6.933 -10.835 1.00 0.47 H new ATOM 0 HA ASP A 40 -1.611 5.588 -13.164 1.00 0.48 H new ATOM 0 HB2 ASP A 40 0.416 4.740 -11.201 1.00 0.70 H new ATOM 0 HB3 ASP A 40 -0.609 3.428 -11.749 1.00 0.70 H new ATOM 690 N TYR A 41 -2.357 4.106 -10.291 1.00 0.42 N ATOM 691 CA TYR A 41 -3.179 3.196 -9.512 1.00 0.43 C ATOM 692 C TYR A 41 -2.599 3.090 -8.090 1.00 0.42 C ATOM 693 O TYR A 41 -1.427 3.397 -7.840 1.00 0.39 O ATOM 694 CB TYR A 41 -3.167 1.799 -10.161 1.00 0.44 C ATOM 695 CG TYR A 41 -3.807 1.640 -11.531 1.00 0.48 C ATOM 696 CD1 TYR A 41 -5.165 1.962 -11.718 1.00 1.38 C ATOM 697 CD2 TYR A 41 -3.074 1.068 -12.592 1.00 1.55 C ATOM 698 CE1 TYR A 41 -5.786 1.729 -12.961 1.00 1.37 C ATOM 699 CE2 TYR A 41 -3.692 0.816 -13.831 1.00 1.65 C ATOM 700 CZ TYR A 41 -5.052 1.154 -14.021 1.00 0.70 C ATOM 701 OH TYR A 41 -5.656 0.890 -15.214 1.00 0.85 O ATOM 0 H TYR A 41 -1.443 4.230 -9.855 1.00 0.42 H new ATOM 0 HA TYR A 41 -4.201 3.572 -9.476 1.00 0.43 H new ATOM 0 HB2 TYR A 41 -2.129 1.476 -10.239 1.00 0.44 H new ATOM 0 HB3 TYR A 41 -3.665 1.110 -9.479 1.00 0.44 H new ATOM 0 HD1 TYR A 41 -5.733 2.389 -10.905 1.00 1.38 H new ATOM 0 HD2 TYR A 41 -2.032 0.822 -12.453 1.00 1.55 H new ATOM 0 HE1 TYR A 41 -6.824 1.990 -13.103 1.00 1.37 H new ATOM 0 HE2 TYR A 41 -3.129 0.365 -14.635 1.00 1.65 H new ATOM 0 HH TYR A 41 -5.004 0.496 -15.831 1.00 0.85 H new ATOM 711 N TYR A 42 -3.407 2.573 -7.173 1.00 0.49 N ATOM 712 CA TYR A 42 -3.028 2.231 -5.805 1.00 0.48 C ATOM 713 C TYR A 42 -3.300 0.740 -5.530 1.00 0.42 C ATOM 714 O TYR A 42 -4.127 0.113 -6.196 1.00 0.44 O ATOM 715 CB TYR A 42 -3.802 3.166 -4.855 1.00 0.71 C ATOM 716 CG TYR A 42 -4.436 2.500 -3.655 1.00 1.88 C ATOM 717 CD1 TYR A 42 -5.600 1.728 -3.828 1.00 2.14 C ATOM 718 CD2 TYR A 42 -3.844 2.608 -2.384 1.00 3.85 C ATOM 719 CE1 TYR A 42 -6.223 1.128 -2.728 1.00 3.27 C ATOM 720 CE2 TYR A 42 -4.456 2.000 -1.276 1.00 5.09 C ATOM 721 CZ TYR A 42 -5.672 1.301 -1.445 1.00 4.55 C ATOM 722 OH TYR A 42 -6.332 0.801 -0.374 1.00 5.84 O ATOM 0 H TYR A 42 -4.387 2.371 -7.370 1.00 0.49 H new ATOM 0 HA TYR A 42 -1.960 2.376 -5.643 1.00 0.48 H new ATOM 0 HB2 TYR A 42 -3.121 3.939 -4.501 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -4.584 3.667 -5.425 1.00 0.71 H new ATOM 0 HD1 TYR A 42 -6.015 1.598 -4.816 1.00 2.14 H new ATOM 0 HD2 TYR A 42 -2.922 3.157 -2.260 1.00 3.85 H new ATOM 0 HE1 TYR A 42 -7.118 0.538 -2.862 1.00 3.27 H new ATOM 0 HE2 TYR A 42 -3.999 2.066 -0.300 1.00 5.09 H new ATOM 0 HH TYR A 42 -6.850 0.015 -0.647 1.00 5.84 H new ATOM 732 N SER A 43 -2.661 0.182 -4.508 1.00 0.43 N ATOM 733 CA SER A 43 -3.002 -1.119 -3.938 1.00 0.43 C ATOM 734 C SER A 43 -2.779 -1.170 -2.416 1.00 0.54 C ATOM 735 O SER A 43 -1.940 -0.453 -1.861 1.00 0.54 O ATOM 736 CB SER A 43 -2.219 -2.241 -4.631 1.00 0.44 C ATOM 737 OG SER A 43 -0.829 -2.104 -4.406 1.00 1.56 O ATOM 0 H SER A 43 -1.873 0.631 -4.041 1.00 0.43 H new ATOM 0 HA SER A 43 -4.067 -1.270 -4.114 1.00 0.43 H new ATOM 0 HB2 SER A 43 -2.557 -3.208 -4.260 1.00 0.44 H new ATOM 0 HB3 SER A 43 -2.421 -2.222 -5.702 1.00 0.44 H new ATOM 0 HG SER A 43 -0.361 -2.066 -5.266 1.00 1.56 H new ATOM 743 N LEU A 44 -3.543 -2.031 -1.736 1.00 0.68 N ATOM 744 CA LEU A 44 -3.431 -2.327 -0.305 1.00 0.88 C ATOM 745 C LEU A 44 -3.630 -3.824 -0.071 1.00 0.72 C ATOM 746 O LEU A 44 -4.454 -4.452 -0.741 1.00 0.66 O ATOM 747 CB LEU A 44 -4.448 -1.452 0.450 1.00 1.24 C ATOM 748 CG LEU A 44 -4.737 -1.763 1.942 1.00 1.30 C ATOM 749 CD1 LEU A 44 -4.776 -0.487 2.792 1.00 1.78 C ATOM 750 CD2 LEU A 44 -6.070 -2.495 2.095 1.00 1.48 C ATOM 0 H LEU A 44 -4.287 -2.563 -2.187 1.00 0.68 H new ATOM 0 HA LEU A 44 -2.438 -2.087 0.076 1.00 0.88 H new ATOM 0 HB2 LEU A 44 -4.105 -0.419 0.388 1.00 1.24 H new ATOM 0 HB3 LEU A 44 -5.394 -1.506 -0.088 1.00 1.24 H new ATOM 0 HG LEU A 44 -3.923 -2.397 2.294 1.00 1.30 H new ATOM 0 HD11 LEU A 44 -4.981 -0.748 3.830 1.00 1.78 H new ATOM 0 HD12 LEU A 44 -3.814 0.022 2.729 1.00 1.78 H new ATOM 0 HD13 LEU A 44 -5.561 0.173 2.422 1.00 1.78 H new ATOM 0 HD21 LEU A 44 -6.252 -2.703 3.149 1.00 1.48 H new ATOM 0 HD22 LEU A 44 -6.874 -1.872 1.704 1.00 1.48 H new ATOM 0 HD23 LEU A 44 -6.036 -3.433 1.541 1.00 1.48 H new ATOM 762 N CYS A 45 -2.897 -4.371 0.900 1.00 0.74 N ATOM 763 CA CYS A 45 -2.996 -5.762 1.346 1.00 0.67 C ATOM 764 C CYS A 45 -3.302 -5.799 2.851 1.00 0.56 C ATOM 765 O CYS A 45 -2.821 -4.951 3.604 1.00 0.56 O ATOM 766 CB CYS A 45 -1.688 -6.504 1.019 1.00 0.83 C ATOM 767 SG CYS A 45 -1.413 -6.558 -0.776 1.00 2.49 S ATOM 0 H CYS A 45 -2.194 -3.840 1.415 1.00 0.74 H new ATOM 0 HA CYS A 45 -3.809 -6.264 0.822 1.00 0.67 H new ATOM 0 HB2 CYS A 45 -0.850 -6.006 1.506 1.00 0.83 H new ATOM 0 HB3 CYS A 45 -1.730 -7.518 1.416 1.00 0.83 H new ATOM 0 HG CYS A 45 -0.303 -7.187 -1.026 1.00 2.49 H new ATOM 773 N VAL A 46 -4.084 -6.785 3.281 1.00 0.55 N ATOM 774 CA VAL A 46 -4.559 -6.982 4.661 1.00 0.53 C ATOM 775 C VAL A 46 -4.346 -8.441 5.059 1.00 0.60 C ATOM 776 O VAL A 46 -4.653 -9.339 4.274 1.00 0.64 O ATOM 777 CB VAL A 46 -6.069 -6.643 4.788 1.00 0.55 C ATOM 778 CG1 VAL A 46 -6.585 -6.779 6.233 1.00 1.35 C ATOM 779 CG2 VAL A 46 -6.385 -5.221 4.298 1.00 1.45 C ATOM 0 H VAL A 46 -4.425 -7.509 2.649 1.00 0.55 H new ATOM 0 HA VAL A 46 -3.996 -6.317 5.316 1.00 0.53 H new ATOM 0 HB VAL A 46 -6.577 -7.371 4.156 1.00 0.55 H new ATOM 0 HG11 VAL A 46 -7.646 -6.531 6.265 1.00 1.35 H new ATOM 0 HG12 VAL A 46 -6.442 -7.804 6.576 1.00 1.35 H new ATOM 0 HG13 VAL A 46 -6.033 -6.099 6.882 1.00 1.35 H new ATOM 0 HG21 VAL A 46 -7.452 -5.028 4.406 1.00 1.45 H new ATOM 0 HG22 VAL A 46 -5.824 -4.499 4.891 1.00 1.45 H new ATOM 0 HG23 VAL A 46 -6.103 -5.126 3.249 1.00 1.45 H new ATOM 789 N ARG A 47 -3.872 -8.677 6.286 1.00 0.64 N ATOM 790 CA ARG A 47 -3.703 -10.013 6.865 1.00 0.68 C ATOM 791 C ARG A 47 -4.335 -10.096 8.256 1.00 0.72 C ATOM 792 O ARG A 47 -3.988 -9.364 9.183 1.00 0.84 O ATOM 793 CB ARG A 47 -2.214 -10.392 6.934 1.00 0.97 C ATOM 794 CG ARG A 47 -1.698 -10.888 5.576 1.00 1.24 C ATOM 795 CD ARG A 47 -0.261 -11.411 5.703 1.00 1.16 C ATOM 796 NE ARG A 47 0.146 -12.205 4.529 1.00 2.16 N ATOM 797 CZ ARG A 47 -0.106 -13.495 4.322 1.00 2.78 C ATOM 798 NH1 ARG A 47 -0.882 -14.200 5.120 1.00 3.86 N ATOM 799 NH2 ARG A 47 0.432 -14.106 3.290 1.00 3.65 N ATOM 0 H ARG A 47 -3.589 -7.928 6.918 1.00 0.64 H new ATOM 0 HA ARG A 47 -4.214 -10.723 6.215 1.00 0.68 H new ATOM 0 HB2 ARG A 47 -1.631 -9.527 7.252 1.00 0.97 H new ATOM 0 HB3 ARG A 47 -2.069 -11.168 7.685 1.00 0.97 H new ATOM 0 HG2 ARG A 47 -2.347 -11.679 5.201 1.00 1.24 H new ATOM 0 HG3 ARG A 47 -1.733 -10.076 4.849 1.00 1.24 H new ATOM 0 HD2 ARG A 47 0.421 -10.570 5.825 1.00 1.16 H new ATOM 0 HD3 ARG A 47 -0.176 -12.023 6.601 1.00 1.16 H new ATOM 0 HE ARG A 47 0.673 -11.717 3.804 1.00 2.16 H new ATOM 0 HH11 ARG A 47 -1.315 -13.759 5.931 1.00 3.86 H new ATOM 0 HH12 ARG A 47 -1.050 -15.187 4.926 1.00 3.86 H new ATOM 0 HH21 ARG A 47 1.039 -13.591 2.652 1.00 3.65 H new ATOM 0 HH22 ARG A 47 0.242 -15.095 3.127 1.00 3.65 H new ATOM 813 N HIS A 48 -5.251 -11.048 8.375 1.00 0.83 N ATOM 814 CA HIS A 48 -6.021 -11.413 9.563 1.00 1.13 C ATOM 815 C HIS A 48 -5.579 -12.800 10.093 1.00 1.06 C ATOM 816 O HIS A 48 -5.902 -13.821 9.471 1.00 0.98 O ATOM 817 CB HIS A 48 -7.531 -11.391 9.232 1.00 1.50 C ATOM 818 CG HIS A 48 -8.015 -11.745 7.837 1.00 3.08 C ATOM 819 ND1 HIS A 48 -7.390 -12.476 6.856 1.00 4.24 N flip ATOM 820 CD2 HIS A 48 -9.220 -11.336 7.308 1.00 4.28 C flip ATOM 821 CE1 HIS A 48 -8.191 -12.446 5.707 1.00 5.82 C flip ATOM 822 NE2 HIS A 48 -9.295 -11.757 6.037 1.00 5.95 N flip ATOM 0 H HIS A 48 -5.497 -11.635 7.578 1.00 0.83 H new ATOM 0 HA HIS A 48 -5.831 -10.685 10.352 1.00 1.13 H new ATOM 0 HB2 HIS A 48 -8.024 -12.071 9.927 1.00 1.50 H new ATOM 0 HB3 HIS A 48 -7.896 -10.388 9.455 1.00 1.50 H new ATOM 0 HD2 HIS A 48 -9.978 -10.771 7.830 1.00 4.28 H new ATOM 0 HE1 HIS A 48 -7.966 -12.888 4.748 1.00 5.82 H new ATOM 0 HE2 HIS A 48 -10.080 -11.579 5.410 1.00 5.95 H new ATOM 830 N PRO A 49 -4.852 -12.884 11.229 1.00 1.23 N ATOM 831 CA PRO A 49 -4.338 -14.146 11.766 1.00 1.24 C ATOM 832 C PRO A 49 -5.434 -14.906 12.543 1.00 1.28 C ATOM 833 O PRO A 49 -5.340 -15.108 13.755 1.00 1.52 O ATOM 834 CB PRO A 49 -3.127 -13.737 12.617 1.00 1.56 C ATOM 835 CG PRO A 49 -3.555 -12.382 13.176 1.00 1.80 C ATOM 836 CD PRO A 49 -4.333 -11.766 12.013 1.00 1.56 C ATOM 0 HA PRO A 49 -4.034 -14.855 10.996 1.00 1.24 H new ATOM 0 HB2 PRO A 49 -2.927 -14.458 13.410 1.00 1.56 H new ATOM 0 HB3 PRO A 49 -2.219 -13.660 12.019 1.00 1.56 H new ATOM 0 HG2 PRO A 49 -4.175 -12.489 14.066 1.00 1.80 H new ATOM 0 HG3 PRO A 49 -2.697 -11.771 13.457 1.00 1.80 H new ATOM 0 HD2 PRO A 49 -5.145 -11.137 12.378 1.00 1.56 H new ATOM 0 HD3 PRO A 49 -3.687 -11.132 11.406 1.00 1.56 H new ATOM 844 N VAL A 50 -6.501 -15.310 11.844 1.00 1.31 N ATOM 845 CA VAL A 50 -7.688 -15.957 12.445 1.00 1.49 C ATOM 846 C VAL A 50 -7.340 -17.354 13.005 1.00 1.58 C ATOM 847 O VAL A 50 -6.687 -18.128 12.301 1.00 1.52 O ATOM 848 CB VAL A 50 -8.859 -16.092 11.441 1.00 1.56 C ATOM 849 CG1 VAL A 50 -10.141 -16.621 12.107 1.00 1.83 C ATOM 850 CG2 VAL A 50 -9.208 -14.755 10.777 1.00 1.49 C ATOM 0 H VAL A 50 -6.572 -15.198 10.833 1.00 1.31 H new ATOM 0 HA VAL A 50 -8.007 -15.306 13.259 1.00 1.49 H new ATOM 0 HB VAL A 50 -8.507 -16.802 10.693 1.00 1.56 H new ATOM 0 HG11 VAL A 50 -10.933 -16.698 11.362 1.00 1.83 H new ATOM 0 HG12 VAL A 50 -9.949 -17.605 12.536 1.00 1.83 H new ATOM 0 HG13 VAL A 50 -10.451 -15.936 12.896 1.00 1.83 H new ATOM 0 HG21 VAL A 50 -10.035 -14.899 10.081 1.00 1.49 H new ATOM 0 HG22 VAL A 50 -9.498 -14.034 11.541 1.00 1.49 H new ATOM 0 HG23 VAL A 50 -8.339 -14.380 10.236 1.00 1.49 H new ATOM 860 N PRO A 51 -7.782 -17.706 14.234 1.00 1.77 N ATOM 861 CA PRO A 51 -7.568 -19.028 14.819 1.00 1.90 C ATOM 862 C PRO A 51 -8.685 -20.039 14.500 1.00 1.99 C ATOM 863 O PRO A 51 -8.424 -21.240 14.439 1.00 2.07 O ATOM 864 CB PRO A 51 -7.461 -18.766 16.323 1.00 2.06 C ATOM 865 CG PRO A 51 -8.358 -17.553 16.559 1.00 2.10 C ATOM 866 CD PRO A 51 -8.320 -16.789 15.233 1.00 1.90 C ATOM 0 HA PRO A 51 -6.676 -19.495 14.401 1.00 1.90 H new ATOM 0 HB2 PRO A 51 -7.796 -19.627 16.902 1.00 2.06 H new ATOM 0 HB3 PRO A 51 -6.432 -18.563 16.619 1.00 2.06 H new ATOM 0 HG2 PRO A 51 -9.374 -17.854 16.816 1.00 2.10 H new ATOM 0 HG3 PRO A 51 -7.990 -16.940 17.382 1.00 2.10 H new ATOM 0 HD2 PRO A 51 -9.318 -16.453 14.952 1.00 1.90 H new ATOM 0 HD3 PRO A 51 -7.696 -15.899 15.317 1.00 1.90 H new ATOM 874 N PHE A 52 -9.917 -19.566 14.278 1.00 2.00 N ATOM 875 CA PHE A 52 -11.109 -20.384 13.992 1.00 2.12 C ATOM 876 C PHE A 52 -11.235 -20.833 12.522 1.00 2.10 C ATOM 877 O PHE A 52 -12.098 -21.655 12.202 1.00 2.31 O ATOM 878 CB PHE A 52 -12.359 -19.594 14.416 1.00 2.21 C ATOM 879 CG PHE A 52 -12.530 -19.473 15.917 1.00 2.29 C ATOM 880 CD1 PHE A 52 -13.206 -20.483 16.628 1.00 3.31 C ATOM 881 CD2 PHE A 52 -12.009 -18.362 16.606 1.00 2.33 C ATOM 882 CE1 PHE A 52 -13.368 -20.379 18.021 1.00 3.45 C ATOM 883 CE2 PHE A 52 -12.168 -18.260 18.000 1.00 2.41 C ATOM 884 CZ PHE A 52 -12.850 -19.266 18.708 1.00 2.57 C ATOM 0 H PHE A 52 -10.122 -18.567 14.292 1.00 2.00 H new ATOM 0 HA PHE A 52 -11.008 -21.306 14.565 1.00 2.12 H new ATOM 0 HB2 PHE A 52 -12.309 -18.594 13.984 1.00 2.21 H new ATOM 0 HB3 PHE A 52 -13.242 -20.078 13.998 1.00 2.21 H new ATOM 0 HD1 PHE A 52 -13.601 -21.340 16.102 1.00 3.31 H new ATOM 0 HD2 PHE A 52 -11.487 -17.587 16.064 1.00 2.33 H new ATOM 0 HE1 PHE A 52 -13.890 -21.153 18.563 1.00 3.45 H new ATOM 0 HE2 PHE A 52 -11.766 -17.408 18.528 1.00 2.41 H new ATOM 0 HZ PHE A 52 -12.976 -19.184 19.778 1.00 2.57 H new ATOM 894 N THR A 53 -10.383 -20.309 11.632 1.00 1.86 N ATOM 895 CA THR A 53 -10.324 -20.633 10.196 1.00 1.79 C ATOM 896 C THR A 53 -8.865 -20.654 9.746 1.00 1.54 C ATOM 897 O THR A 53 -8.026 -20.010 10.379 1.00 1.49 O ATOM 898 CB THR A 53 -11.206 -19.650 9.398 1.00 1.88 C ATOM 899 OG1 THR A 53 -11.867 -20.384 8.391 1.00 2.26 O ATOM 900 CG2 THR A 53 -10.492 -18.489 8.706 1.00 1.77 C ATOM 0 H THR A 53 -9.684 -19.617 11.902 1.00 1.86 H new ATOM 0 HA THR A 53 -10.729 -21.627 10.004 1.00 1.79 H new ATOM 0 HB THR A 53 -11.859 -19.194 10.142 1.00 1.88 H new ATOM 0 HG1 THR A 53 -12.437 -19.782 7.868 1.00 2.26 H new ATOM 0 HG21 THR A 53 -11.223 -17.874 8.181 1.00 1.77 H new ATOM 0 HG22 THR A 53 -9.976 -17.883 9.451 1.00 1.77 H new ATOM 0 HG23 THR A 53 -9.768 -18.881 7.992 1.00 1.77 H new ATOM 908 N ARG A 54 -8.542 -21.362 8.659 1.00 1.52 N ATOM 909 CA ARG A 54 -7.173 -21.359 8.117 1.00 1.40 C ATOM 910 C ARG A 54 -6.825 -19.940 7.624 1.00 1.25 C ATOM 911 O ARG A 54 -7.649 -19.350 6.919 1.00 1.40 O ATOM 912 CB ARG A 54 -7.016 -22.381 6.979 1.00 1.62 C ATOM 913 CG ARG A 54 -7.144 -23.851 7.413 1.00 1.84 C ATOM 914 CD ARG A 54 -6.065 -24.258 8.427 1.00 2.21 C ATOM 915 NE ARG A 54 -6.044 -25.715 8.643 1.00 2.58 N ATOM 916 CZ ARG A 54 -5.252 -26.367 9.490 1.00 3.01 C ATOM 917 NH1 ARG A 54 -4.399 -25.739 10.274 1.00 3.28 N ATOM 918 NH2 ARG A 54 -5.307 -27.680 9.556 1.00 3.40 N ATOM 0 H ARG A 54 -9.201 -21.941 8.139 1.00 1.52 H new ATOM 0 HA ARG A 54 -6.483 -21.649 8.910 1.00 1.40 H new ATOM 0 HB2 ARG A 54 -7.768 -22.174 6.217 1.00 1.62 H new ATOM 0 HB3 ARG A 54 -6.042 -22.238 6.512 1.00 1.62 H new ATOM 0 HG2 ARG A 54 -8.129 -24.013 7.850 1.00 1.84 H new ATOM 0 HG3 ARG A 54 -7.075 -24.494 6.535 1.00 1.84 H new ATOM 0 HD2 ARG A 54 -5.089 -23.928 8.072 1.00 2.21 H new ATOM 0 HD3 ARG A 54 -6.247 -23.752 9.375 1.00 2.21 H new ATOM 0 HE ARG A 54 -6.696 -26.275 8.093 1.00 2.58 H new ATOM 0 HH11 ARG A 54 -4.331 -24.722 10.243 1.00 3.28 H new ATOM 0 HH12 ARG A 54 -3.806 -26.270 10.912 1.00 3.28 H new ATOM 0 HH21 ARG A 54 -5.955 -28.194 8.959 1.00 3.40 H new ATOM 0 HH22 ARG A 54 -4.702 -28.184 10.204 1.00 3.40 H new ATOM 932 N PRO A 55 -5.656 -19.376 7.989 1.00 1.12 N ATOM 933 CA PRO A 55 -5.367 -17.952 7.829 1.00 1.00 C ATOM 934 C PRO A 55 -5.182 -17.563 6.357 1.00 1.05 C ATOM 935 O PRO A 55 -4.857 -18.398 5.511 1.00 1.19 O ATOM 936 CB PRO A 55 -4.125 -17.680 8.684 1.00 1.15 C ATOM 937 CG PRO A 55 -3.410 -19.033 8.709 1.00 1.40 C ATOM 938 CD PRO A 55 -4.561 -20.040 8.681 1.00 1.30 C ATOM 0 HA PRO A 55 -6.201 -17.334 8.161 1.00 1.00 H new ATOM 0 HB2 PRO A 55 -3.499 -16.902 8.247 1.00 1.15 H new ATOM 0 HB3 PRO A 55 -4.392 -17.348 9.687 1.00 1.15 H new ATOM 0 HG2 PRO A 55 -2.749 -19.154 7.851 1.00 1.40 H new ATOM 0 HG3 PRO A 55 -2.797 -19.148 9.603 1.00 1.40 H new ATOM 0 HD2 PRO A 55 -4.268 -20.953 8.163 1.00 1.30 H new ATOM 0 HD3 PRO A 55 -4.854 -20.326 9.691 1.00 1.30 H new ATOM 946 N LYS A 56 -5.436 -16.285 6.061 1.00 1.06 N ATOM 947 CA LYS A 56 -5.641 -15.766 4.700 1.00 1.19 C ATOM 948 C LYS A 56 -4.900 -14.432 4.457 1.00 1.06 C ATOM 949 O LYS A 56 -4.337 -13.831 5.377 1.00 1.14 O ATOM 950 CB LYS A 56 -7.161 -15.579 4.476 1.00 1.40 C ATOM 951 CG LYS A 56 -8.065 -16.809 4.639 1.00 1.86 C ATOM 952 CD LYS A 56 -7.890 -17.860 3.530 1.00 2.77 C ATOM 953 CE LYS A 56 -8.649 -19.163 3.825 1.00 3.71 C ATOM 954 NZ LYS A 56 -10.101 -18.956 4.073 1.00 4.01 N ATOM 0 H LYS A 56 -5.507 -15.562 6.777 1.00 1.06 H new ATOM 0 HA LYS A 56 -5.228 -16.484 3.991 1.00 1.19 H new ATOM 0 HB2 LYS A 56 -7.510 -14.813 5.168 1.00 1.40 H new ATOM 0 HB3 LYS A 56 -7.306 -15.188 3.469 1.00 1.40 H new ATOM 0 HG2 LYS A 56 -7.859 -17.274 5.603 1.00 1.86 H new ATOM 0 HG3 LYS A 56 -9.105 -16.484 4.657 1.00 1.86 H new ATOM 0 HD2 LYS A 56 -8.240 -17.446 2.584 1.00 2.77 H new ATOM 0 HD3 LYS A 56 -6.830 -18.081 3.408 1.00 2.77 H new ATOM 0 HE2 LYS A 56 -8.525 -19.846 2.984 1.00 3.71 H new ATOM 0 HE3 LYS A 56 -8.204 -19.645 4.695 1.00 3.71 H new ATOM 0 HZ1 LYS A 56 -10.564 -19.877 4.215 1.00 4.01 H new ATOM 0 HZ2 LYS A 56 -10.228 -18.370 4.923 1.00 4.01 H new ATOM 0 HZ3 LYS A 56 -10.528 -18.477 3.255 1.00 4.01 H new ATOM 968 N VAL A 57 -4.954 -13.949 3.215 1.00 0.92 N ATOM 969 CA VAL A 57 -4.592 -12.585 2.799 1.00 0.75 C ATOM 970 C VAL A 57 -5.704 -12.028 1.902 1.00 0.70 C ATOM 971 O VAL A 57 -6.238 -12.739 1.049 1.00 0.77 O ATOM 972 CB VAL A 57 -3.202 -12.536 2.114 1.00 0.84 C ATOM 973 CG1 VAL A 57 -3.102 -13.412 0.854 1.00 1.73 C ATOM 974 CG2 VAL A 57 -2.767 -11.101 1.770 1.00 2.17 C ATOM 0 H VAL A 57 -5.266 -14.522 2.431 1.00 0.92 H new ATOM 0 HA VAL A 57 -4.503 -11.953 3.683 1.00 0.75 H new ATOM 0 HB VAL A 57 -2.521 -12.947 2.860 1.00 0.84 H new ATOM 0 HG11 VAL A 57 -2.102 -13.327 0.430 1.00 1.73 H new ATOM 0 HG12 VAL A 57 -3.297 -14.452 1.117 1.00 1.73 H new ATOM 0 HG13 VAL A 57 -3.837 -13.080 0.120 1.00 1.73 H new ATOM 0 HG21 VAL A 57 -1.787 -11.122 1.292 1.00 2.17 H new ATOM 0 HG22 VAL A 57 -3.492 -10.654 1.090 1.00 2.17 H new ATOM 0 HG23 VAL A 57 -2.712 -10.509 2.683 1.00 2.17 H new ATOM 984 N ALA A 58 -6.049 -10.758 2.104 1.00 0.62 N ATOM 985 CA ALA A 58 -6.981 -9.989 1.280 1.00 0.59 C ATOM 986 C ALA A 58 -6.269 -8.763 0.695 1.00 0.55 C ATOM 987 O ALA A 58 -5.305 -8.255 1.278 1.00 0.61 O ATOM 988 CB ALA A 58 -8.189 -9.579 2.135 1.00 0.70 C ATOM 0 H ALA A 58 -5.671 -10.213 2.879 1.00 0.62 H new ATOM 0 HA ALA A 58 -7.336 -10.598 0.448 1.00 0.59 H new ATOM 0 HB1 ALA A 58 -8.888 -9.005 1.526 1.00 0.70 H new ATOM 0 HB2 ALA A 58 -8.686 -10.472 2.514 1.00 0.70 H new ATOM 0 HB3 ALA A 58 -7.852 -8.969 2.973 1.00 0.70 H new ATOM 994 N PHE A 59 -6.746 -8.285 -0.453 1.00 0.61 N ATOM 995 CA PHE A 59 -6.096 -7.232 -1.227 1.00 0.59 C ATOM 996 C PHE A 59 -7.084 -6.476 -2.127 1.00 0.56 C ATOM 997 O PHE A 59 -8.081 -7.033 -2.591 1.00 0.61 O ATOM 998 CB PHE A 59 -4.902 -7.816 -2.007 1.00 0.63 C ATOM 999 CG PHE A 59 -5.173 -9.110 -2.771 1.00 0.61 C ATOM 1000 CD1 PHE A 59 -6.000 -9.107 -3.912 1.00 1.67 C ATOM 1001 CD2 PHE A 59 -4.604 -10.326 -2.336 1.00 2.05 C ATOM 1002 CE1 PHE A 59 -6.290 -10.309 -4.584 1.00 1.75 C ATOM 1003 CE2 PHE A 59 -4.904 -11.528 -3.001 1.00 2.03 C ATOM 1004 CZ PHE A 59 -5.751 -11.519 -4.120 1.00 0.73 C ATOM 0 H PHE A 59 -7.609 -8.625 -0.877 1.00 0.61 H new ATOM 0 HA PHE A 59 -5.709 -6.484 -0.535 1.00 0.59 H new ATOM 0 HB2 PHE A 59 -4.553 -7.065 -2.716 1.00 0.63 H new ATOM 0 HB3 PHE A 59 -4.087 -7.995 -1.305 1.00 0.63 H new ATOM 0 HD1 PHE A 59 -6.414 -8.177 -4.273 1.00 1.67 H new ATOM 0 HD2 PHE A 59 -3.935 -10.333 -1.488 1.00 2.05 H new ATOM 0 HE1 PHE A 59 -6.927 -10.300 -5.456 1.00 1.75 H new ATOM 0 HE2 PHE A 59 -4.482 -12.459 -2.651 1.00 2.03 H new ATOM 0 HZ PHE A 59 -5.988 -12.444 -4.625 1.00 0.73 H new ATOM 1014 N TYR A 60 -6.798 -5.192 -2.361 1.00 0.54 N ATOM 1015 CA TYR A 60 -7.677 -4.234 -3.046 1.00 0.59 C ATOM 1016 C TYR A 60 -6.862 -3.289 -3.946 1.00 0.55 C ATOM 1017 O TYR A 60 -5.797 -2.817 -3.535 1.00 0.56 O ATOM 1018 CB TYR A 60 -8.469 -3.430 -1.998 1.00 0.70 C ATOM 1019 CG TYR A 60 -9.212 -4.305 -1.004 1.00 0.73 C ATOM 1020 CD1 TYR A 60 -10.341 -5.035 -1.420 1.00 1.43 C ATOM 1021 CD2 TYR A 60 -8.719 -4.465 0.306 1.00 2.05 C ATOM 1022 CE1 TYR A 60 -10.965 -5.937 -0.539 1.00 1.40 C ATOM 1023 CE2 TYR A 60 -9.349 -5.350 1.200 1.00 2.10 C ATOM 1024 CZ TYR A 60 -10.470 -6.098 0.777 1.00 0.80 C ATOM 1025 OH TYR A 60 -11.060 -6.979 1.633 1.00 0.86 O ATOM 0 H TYR A 60 -5.915 -4.773 -2.068 1.00 0.54 H new ATOM 0 HA TYR A 60 -8.372 -4.782 -3.682 1.00 0.59 H new ATOM 0 HB2 TYR A 60 -7.783 -2.779 -1.456 1.00 0.70 H new ATOM 0 HB3 TYR A 60 -9.184 -2.786 -2.509 1.00 0.70 H new ATOM 0 HD1 TYR A 60 -10.730 -4.902 -2.419 1.00 1.43 H new ATOM 0 HD2 TYR A 60 -7.853 -3.905 0.626 1.00 2.05 H new ATOM 0 HE1 TYR A 60 -11.822 -6.507 -0.867 1.00 1.40 H new ATOM 0 HE2 TYR A 60 -8.976 -5.457 2.208 1.00 2.10 H new ATOM 0 HH TYR A 60 -10.591 -6.963 2.494 1.00 0.86 H new ATOM 1035 N THR A 61 -7.352 -3.017 -5.165 1.00 0.54 N ATOM 1036 CA THR A 61 -6.667 -2.220 -6.203 1.00 0.50 C ATOM 1037 C THR A 61 -7.585 -1.898 -7.386 1.00 0.53 C ATOM 1038 O THR A 61 -8.493 -2.667 -7.699 1.00 0.59 O ATOM 1039 CB THR A 61 -5.364 -2.906 -6.652 1.00 0.51 C ATOM 1040 OG1 THR A 61 -4.752 -2.102 -7.622 1.00 0.83 O ATOM 1041 CG2 THR A 61 -5.538 -4.303 -7.253 1.00 0.58 C ATOM 0 H THR A 61 -8.265 -3.355 -5.469 1.00 0.54 H new ATOM 0 HA THR A 61 -6.399 -1.262 -5.757 1.00 0.50 H new ATOM 0 HB THR A 61 -4.768 -3.028 -5.748 1.00 0.51 H new ATOM 0 HG1 THR A 61 -4.258 -2.668 -8.252 1.00 0.83 H new ATOM 0 HG21 THR A 61 -4.564 -4.701 -7.538 1.00 0.58 H new ATOM 0 HG22 THR A 61 -5.998 -4.962 -6.516 1.00 0.58 H new ATOM 0 HG23 THR A 61 -6.177 -4.243 -8.134 1.00 0.58 H new ATOM 1049 N ASN A 62 -7.323 -0.771 -8.057 1.00 0.53 N ATOM 1050 CA ASN A 62 -7.931 -0.388 -9.341 1.00 0.59 C ATOM 1051 C ASN A 62 -7.175 -0.927 -10.580 1.00 0.51 C ATOM 1052 O ASN A 62 -7.525 -0.571 -11.708 1.00 0.55 O ATOM 1053 CB ASN A 62 -8.098 1.144 -9.400 1.00 0.74 C ATOM 1054 CG ASN A 62 -9.462 1.571 -8.869 1.00 1.69 C ATOM 1055 OD1 ASN A 62 -10.490 1.351 -9.499 1.00 2.21 O ATOM 1056 ND2 ASN A 62 -9.519 2.186 -7.705 1.00 2.79 N ATOM 0 H ASN A 62 -6.661 -0.076 -7.712 1.00 0.53 H new ATOM 0 HA ASN A 62 -8.911 -0.864 -9.383 1.00 0.59 H new ATOM 0 HB2 ASN A 62 -7.312 1.621 -8.815 1.00 0.74 H new ATOM 0 HB3 ASN A 62 -7.982 1.486 -10.429 1.00 0.74 H new ATOM 0 HD21 ASN A 62 -10.420 2.480 -7.327 1.00 2.79 H new ATOM 0 HD22 ASN A 62 -8.662 2.368 -7.182 1.00 2.79 H new ATOM 1063 N TYR A 63 -6.170 -1.798 -10.412 1.00 0.45 N ATOM 1064 CA TYR A 63 -5.402 -2.384 -11.524 1.00 0.41 C ATOM 1065 C TYR A 63 -6.298 -3.041 -12.604 1.00 0.45 C ATOM 1066 O TYR A 63 -7.379 -3.553 -12.279 1.00 0.50 O ATOM 1067 CB TYR A 63 -4.460 -3.470 -10.976 1.00 0.39 C ATOM 1068 CG TYR A 63 -3.275 -3.066 -10.127 1.00 0.37 C ATOM 1069 CD1 TYR A 63 -2.778 -1.750 -10.114 1.00 1.74 C ATOM 1070 CD2 TYR A 63 -2.678 -4.049 -9.317 1.00 1.69 C ATOM 1071 CE1 TYR A 63 -1.750 -1.394 -9.227 1.00 1.77 C ATOM 1072 CE2 TYR A 63 -1.631 -3.702 -8.444 1.00 1.68 C ATOM 1073 CZ TYR A 63 -1.175 -2.365 -8.381 1.00 0.41 C ATOM 1074 OH TYR A 63 -0.179 -2.008 -7.522 1.00 0.49 O ATOM 0 H TYR A 63 -5.863 -2.119 -9.494 1.00 0.45 H new ATOM 0 HA TYR A 63 -4.856 -1.563 -11.988 1.00 0.41 H new ATOM 0 HB2 TYR A 63 -5.064 -4.160 -10.387 1.00 0.39 H new ATOM 0 HB3 TYR A 63 -4.076 -4.030 -11.828 1.00 0.39 H new ATOM 0 HD1 TYR A 63 -3.188 -1.012 -10.788 1.00 1.74 H new ATOM 0 HD2 TYR A 63 -3.024 -5.071 -9.365 1.00 1.69 H new ATOM 0 HE1 TYR A 63 -1.398 -0.373 -9.192 1.00 1.77 H new ATOM 0 HE2 TYR A 63 -1.175 -4.457 -7.821 1.00 1.68 H new ATOM 0 HH TYR A 63 0.255 -1.191 -7.846 1.00 0.49 H new ATOM 1084 N PRO A 64 -5.850 -3.061 -13.878 1.00 0.44 N ATOM 1085 CA PRO A 64 -6.616 -3.626 -14.980 1.00 0.48 C ATOM 1086 C PRO A 64 -6.788 -5.133 -14.782 1.00 0.48 C ATOM 1087 O PRO A 64 -5.878 -5.810 -14.303 1.00 0.45 O ATOM 1088 CB PRO A 64 -5.850 -3.283 -16.263 1.00 0.52 C ATOM 1089 CG PRO A 64 -4.420 -3.004 -15.799 1.00 0.48 C ATOM 1090 CD PRO A 64 -4.589 -2.521 -14.363 1.00 0.44 C ATOM 0 HA PRO A 64 -7.624 -3.214 -15.034 1.00 0.48 H new ATOM 0 HB2 PRO A 64 -5.881 -4.108 -16.975 1.00 0.52 H new ATOM 0 HB3 PRO A 64 -6.281 -2.415 -16.761 1.00 0.52 H new ATOM 0 HG2 PRO A 64 -3.802 -3.900 -15.849 1.00 0.48 H new ATOM 0 HG3 PRO A 64 -3.938 -2.249 -16.420 1.00 0.48 H new ATOM 0 HD2 PRO A 64 -3.760 -2.860 -13.742 1.00 0.44 H new ATOM 0 HD3 PRO A 64 -4.594 -1.432 -14.321 1.00 0.44 H new ATOM 1098 N GLU A 65 -7.951 -5.666 -15.165 1.00 0.51 N ATOM 1099 CA GLU A 65 -8.294 -7.076 -14.956 1.00 0.52 C ATOM 1100 C GLU A 65 -7.310 -8.031 -15.652 1.00 0.52 C ATOM 1101 O GLU A 65 -7.114 -9.149 -15.186 1.00 0.52 O ATOM 1102 CB GLU A 65 -9.740 -7.327 -15.415 1.00 0.57 C ATOM 1103 CG GLU A 65 -9.894 -7.383 -16.941 1.00 0.61 C ATOM 1104 CD GLU A 65 -11.374 -7.409 -17.353 1.00 0.83 C ATOM 1105 OE1 GLU A 65 -11.957 -8.514 -17.470 1.00 1.79 O ATOM 1106 OE2 GLU A 65 -11.963 -6.323 -17.569 1.00 1.71 O ATOM 0 H GLU A 65 -8.684 -5.131 -15.630 1.00 0.51 H new ATOM 0 HA GLU A 65 -8.215 -7.288 -13.890 1.00 0.52 H new ATOM 0 HB2 GLU A 65 -10.091 -8.266 -14.987 1.00 0.57 H new ATOM 0 HB3 GLU A 65 -10.381 -6.538 -15.021 1.00 0.57 H new ATOM 0 HG2 GLU A 65 -9.405 -6.519 -17.390 1.00 0.61 H new ATOM 0 HG3 GLU A 65 -9.391 -8.270 -17.327 1.00 0.61 H new ATOM 1113 N ALA A 66 -6.638 -7.592 -16.722 1.00 0.53 N ATOM 1114 CA ALA A 66 -5.593 -8.359 -17.397 1.00 0.55 C ATOM 1115 C ALA A 66 -4.335 -8.531 -16.523 1.00 0.50 C ATOM 1116 O ALA A 66 -3.758 -9.616 -16.498 1.00 0.51 O ATOM 1117 CB ALA A 66 -5.281 -7.662 -18.727 1.00 0.59 C ATOM 0 H ALA A 66 -6.810 -6.681 -17.147 1.00 0.53 H new ATOM 0 HA ALA A 66 -5.949 -9.372 -17.586 1.00 0.55 H new ATOM 0 HB1 ALA A 66 -4.502 -8.214 -19.253 1.00 0.59 H new ATOM 0 HB2 ALA A 66 -6.181 -7.630 -19.341 1.00 0.59 H new ATOM 0 HB3 ALA A 66 -4.937 -6.646 -18.533 1.00 0.59 H new ATOM 1123 N TRP A 67 -3.959 -7.505 -15.747 1.00 0.46 N ATOM 1124 CA TRP A 67 -2.862 -7.577 -14.774 1.00 0.41 C ATOM 1125 C TRP A 67 -3.298 -8.341 -13.524 1.00 0.39 C ATOM 1126 O TRP A 67 -2.563 -9.193 -13.034 1.00 0.39 O ATOM 1127 CB TRP A 67 -2.397 -6.156 -14.408 1.00 0.41 C ATOM 1128 CG TRP A 67 -1.290 -5.999 -13.398 1.00 0.40 C ATOM 1129 CD1 TRP A 67 -1.224 -4.967 -12.526 1.00 0.53 C ATOM 1130 CD2 TRP A 67 -0.099 -6.819 -13.117 1.00 0.47 C ATOM 1131 NE1 TRP A 67 -0.136 -5.113 -11.696 1.00 0.60 N ATOM 1132 CE2 TRP A 67 0.578 -6.250 -11.991 1.00 0.53 C ATOM 1133 CE3 TRP A 67 0.497 -7.976 -13.677 1.00 0.60 C ATOM 1134 CZ2 TRP A 67 1.724 -6.823 -11.420 1.00 0.67 C ATOM 1135 CZ3 TRP A 67 1.638 -8.566 -13.099 1.00 0.76 C ATOM 1136 CH2 TRP A 67 2.250 -7.998 -11.974 1.00 0.79 C ATOM 0 H TRP A 67 -4.413 -6.592 -15.778 1.00 0.46 H new ATOM 0 HA TRP A 67 -2.028 -8.116 -15.223 1.00 0.41 H new ATOM 0 HB2 TRP A 67 -2.079 -5.664 -15.327 1.00 0.41 H new ATOM 0 HB3 TRP A 67 -3.264 -5.609 -14.037 1.00 0.41 H new ATOM 0 HD1 TRP A 67 -1.925 -4.146 -12.487 1.00 0.53 H new ATOM 0 HE1 TRP A 67 0.110 -4.458 -10.954 1.00 0.60 H new ATOM 0 HE3 TRP A 67 0.068 -8.415 -14.566 1.00 0.60 H new ATOM 0 HZ2 TRP A 67 2.195 -6.364 -10.564 1.00 0.67 H new ATOM 0 HZ3 TRP A 67 2.047 -9.469 -13.529 1.00 0.76 H new ATOM 0 HH2 TRP A 67 3.121 -8.463 -11.537 1.00 0.79 H new ATOM 1147 N VAL A 68 -4.513 -8.072 -13.042 1.00 0.39 N ATOM 1148 CA VAL A 68 -5.058 -8.679 -11.817 1.00 0.39 C ATOM 1149 C VAL A 68 -5.319 -10.175 -12.013 1.00 0.46 C ATOM 1150 O VAL A 68 -4.964 -10.972 -11.144 1.00 0.46 O ATOM 1151 CB VAL A 68 -6.340 -7.948 -11.361 1.00 0.43 C ATOM 1152 CG1 VAL A 68 -7.026 -8.600 -10.156 1.00 0.48 C ATOM 1153 CG2 VAL A 68 -6.016 -6.503 -10.963 1.00 0.40 C ATOM 0 H VAL A 68 -5.156 -7.421 -13.493 1.00 0.39 H new ATOM 0 HA VAL A 68 -4.312 -8.571 -11.030 1.00 0.39 H new ATOM 0 HB VAL A 68 -7.015 -7.998 -12.215 1.00 0.43 H new ATOM 0 HG11 VAL A 68 -7.918 -8.031 -9.894 1.00 0.48 H new ATOM 0 HG12 VAL A 68 -7.308 -9.622 -10.407 1.00 0.48 H new ATOM 0 HG13 VAL A 68 -6.340 -8.611 -9.309 1.00 0.48 H new ATOM 0 HG21 VAL A 68 -6.929 -6.000 -10.644 1.00 0.40 H new ATOM 0 HG22 VAL A 68 -5.297 -6.504 -10.144 1.00 0.40 H new ATOM 0 HG23 VAL A 68 -5.592 -5.977 -11.818 1.00 0.40 H new ATOM 1163 N SER A 69 -5.886 -10.576 -13.155 1.00 0.53 N ATOM 1164 CA SER A 69 -6.097 -11.997 -13.458 1.00 0.64 C ATOM 1165 C SER A 69 -4.759 -12.713 -13.648 1.00 0.66 C ATOM 1166 O SER A 69 -4.545 -13.751 -13.039 1.00 0.70 O ATOM 1167 CB SER A 69 -6.981 -12.184 -14.697 1.00 0.72 C ATOM 1168 OG SER A 69 -7.403 -13.537 -14.822 1.00 0.84 O ATOM 0 H SER A 69 -6.207 -9.939 -13.884 1.00 0.53 H new ATOM 0 HA SER A 69 -6.615 -12.440 -12.607 1.00 0.64 H new ATOM 0 HB2 SER A 69 -7.852 -11.532 -14.628 1.00 0.72 H new ATOM 0 HB3 SER A 69 -6.430 -11.887 -15.589 1.00 0.72 H new ATOM 0 HG SER A 69 -7.967 -13.632 -15.618 1.00 0.84 H new ATOM 1174 N TYR A 70 -3.811 -12.140 -14.398 1.00 0.63 N ATOM 1175 CA TYR A 70 -2.474 -12.714 -14.588 1.00 0.66 C ATOM 1176 C TYR A 70 -1.720 -12.894 -13.259 1.00 0.63 C ATOM 1177 O TYR A 70 -1.158 -13.960 -13.007 1.00 0.69 O ATOM 1178 CB TYR A 70 -1.719 -11.805 -15.559 1.00 0.66 C ATOM 1179 CG TYR A 70 -0.322 -12.267 -15.882 1.00 0.72 C ATOM 1180 CD1 TYR A 70 -0.130 -13.361 -16.742 1.00 2.27 C ATOM 1181 CD2 TYR A 70 0.782 -11.602 -15.326 1.00 1.78 C ATOM 1182 CE1 TYR A 70 1.173 -13.793 -17.053 1.00 2.37 C ATOM 1183 CE2 TYR A 70 2.086 -12.012 -15.646 1.00 1.74 C ATOM 1184 CZ TYR A 70 2.289 -13.112 -16.511 1.00 0.87 C ATOM 1185 OH TYR A 70 3.556 -13.517 -16.810 1.00 0.97 O ATOM 0 H TYR A 70 -3.951 -11.259 -14.893 1.00 0.63 H new ATOM 0 HA TYR A 70 -2.558 -13.719 -15.003 1.00 0.66 H new ATOM 0 HB2 TYR A 70 -2.288 -11.731 -16.486 1.00 0.66 H new ATOM 0 HB3 TYR A 70 -1.668 -10.802 -15.135 1.00 0.66 H new ATOM 0 HD1 TYR A 70 -0.983 -13.871 -17.165 1.00 2.27 H new ATOM 0 HD2 TYR A 70 0.628 -10.773 -14.651 1.00 1.78 H new ATOM 0 HE1 TYR A 70 1.321 -14.642 -17.704 1.00 2.37 H new ATOM 0 HE2 TYR A 70 2.934 -11.487 -15.232 1.00 1.74 H new ATOM 0 HH TYR A 70 4.201 -12.937 -16.354 1.00 0.97 H new ATOM 1195 N TYR A 71 -1.776 -11.896 -12.372 1.00 0.54 N ATOM 1196 CA TYR A 71 -1.171 -11.937 -11.041 1.00 0.51 C ATOM 1197 C TYR A 71 -1.765 -13.052 -10.160 1.00 0.60 C ATOM 1198 O TYR A 71 -1.028 -13.764 -9.481 1.00 0.66 O ATOM 1199 CB TYR A 71 -1.312 -10.549 -10.395 1.00 0.45 C ATOM 1200 CG TYR A 71 -0.597 -10.390 -9.068 1.00 0.70 C ATOM 1201 CD1 TYR A 71 -1.203 -10.839 -7.880 1.00 2.17 C ATOM 1202 CD2 TYR A 71 0.680 -9.796 -9.019 1.00 2.15 C ATOM 1203 CE1 TYR A 71 -0.538 -10.693 -6.649 1.00 2.42 C ATOM 1204 CE2 TYR A 71 1.354 -9.662 -7.791 1.00 2.52 C ATOM 1205 CZ TYR A 71 0.745 -10.106 -6.599 1.00 1.83 C ATOM 1206 OH TYR A 71 1.381 -9.964 -5.403 1.00 2.41 O ATOM 0 H TYR A 71 -2.255 -11.017 -12.566 1.00 0.54 H new ATOM 0 HA TYR A 71 -0.114 -12.183 -11.139 1.00 0.51 H new ATOM 0 HB2 TYR A 71 -0.931 -9.800 -11.089 1.00 0.45 H new ATOM 0 HB3 TYR A 71 -2.371 -10.338 -10.249 1.00 0.45 H new ATOM 0 HD1 TYR A 71 -2.181 -11.297 -7.913 1.00 2.17 H new ATOM 0 HD2 TYR A 71 1.143 -9.442 -9.928 1.00 2.15 H new ATOM 0 HE1 TYR A 71 -1.011 -11.031 -5.739 1.00 2.42 H new ATOM 0 HE2 TYR A 71 2.338 -9.219 -7.761 1.00 2.52 H new ATOM 0 HH TYR A 71 0.738 -10.088 -4.674 1.00 2.41 H new ATOM 1216 N GLN A 72 -3.087 -13.239 -10.198 1.00 0.63 N ATOM 1217 CA GLN A 72 -3.781 -14.317 -9.485 1.00 0.73 C ATOM 1218 C GLN A 72 -3.546 -15.698 -10.124 1.00 0.82 C ATOM 1219 O GLN A 72 -3.315 -16.672 -9.410 1.00 0.88 O ATOM 1220 CB GLN A 72 -5.287 -13.989 -9.448 1.00 0.74 C ATOM 1221 CG GLN A 72 -5.642 -12.899 -8.414 1.00 0.83 C ATOM 1222 CD GLN A 72 -6.570 -13.415 -7.310 1.00 1.31 C ATOM 1223 OE1 GLN A 72 -7.694 -12.958 -7.141 1.00 1.64 O ATOM 1224 NE2 GLN A 72 -6.156 -14.392 -6.524 1.00 3.01 N ATOM 0 H GLN A 72 -3.715 -12.638 -10.732 1.00 0.63 H new ATOM 0 HA GLN A 72 -3.376 -14.375 -8.475 1.00 0.73 H new ATOM 0 HB2 GLN A 72 -5.606 -13.661 -10.437 1.00 0.74 H new ATOM 0 HB3 GLN A 72 -5.845 -14.896 -9.217 1.00 0.74 H new ATOM 0 HG2 GLN A 72 -4.725 -12.518 -7.964 1.00 0.83 H new ATOM 0 HG3 GLN A 72 -6.119 -12.062 -8.923 1.00 0.83 H new ATOM 0 HE21 GLN A 72 -5.224 -14.786 -6.648 1.00 3.01 H new ATOM 0 HE22 GLN A 72 -6.769 -14.752 -5.793 1.00 3.01 H new ATOM 1233 N ALA A 73 -3.595 -15.790 -11.454 1.00 0.84 N ATOM 1234 CA ALA A 73 -3.615 -17.042 -12.216 1.00 0.96 C ATOM 1235 C ALA A 73 -2.255 -17.758 -12.227 1.00 0.94 C ATOM 1236 O ALA A 73 -2.192 -18.984 -12.138 1.00 1.01 O ATOM 1237 CB ALA A 73 -4.092 -16.713 -13.641 1.00 1.05 C ATOM 0 H ALA A 73 -3.623 -14.965 -12.053 1.00 0.84 H new ATOM 0 HA ALA A 73 -4.299 -17.742 -11.735 1.00 0.96 H new ATOM 0 HB1 ALA A 73 -4.118 -17.626 -14.236 1.00 1.05 H new ATOM 0 HB2 ALA A 73 -5.091 -16.278 -13.599 1.00 1.05 H new ATOM 0 HB3 ALA A 73 -3.405 -16.001 -14.099 1.00 1.05 H new ATOM 1243 N LYS A 74 -1.164 -16.990 -12.324 1.00 0.86 N ATOM 1244 CA LYS A 74 0.221 -17.466 -12.207 1.00 0.87 C ATOM 1245 C LYS A 74 0.762 -17.395 -10.760 1.00 0.79 C ATOM 1246 O LYS A 74 1.908 -17.774 -10.508 1.00 0.80 O ATOM 1247 CB LYS A 74 1.070 -16.648 -13.195 1.00 0.95 C ATOM 1248 CG LYS A 74 1.195 -17.264 -14.596 1.00 1.05 C ATOM 1249 CD LYS A 74 -0.090 -17.679 -15.330 1.00 1.28 C ATOM 1250 CE LYS A 74 -0.887 -16.459 -15.801 1.00 1.72 C ATOM 1251 NZ LYS A 74 -2.081 -16.857 -16.597 1.00 2.14 N ATOM 0 H LYS A 74 -1.222 -15.986 -12.492 1.00 0.86 H new ATOM 0 HA LYS A 74 0.269 -18.526 -12.458 1.00 0.87 H new ATOM 0 HB2 LYS A 74 0.636 -15.652 -13.288 1.00 0.95 H new ATOM 0 HB3 LYS A 74 2.069 -16.523 -12.777 1.00 0.95 H new ATOM 0 HG2 LYS A 74 1.721 -16.548 -15.227 1.00 1.05 H new ATOM 0 HG3 LYS A 74 1.831 -18.146 -14.515 1.00 1.05 H new ATOM 0 HD2 LYS A 74 0.165 -18.302 -16.188 1.00 1.28 H new ATOM 0 HD3 LYS A 74 -0.708 -18.285 -14.668 1.00 1.28 H new ATOM 0 HE2 LYS A 74 -1.204 -15.875 -14.937 1.00 1.72 H new ATOM 0 HE3 LYS A 74 -0.246 -15.815 -16.403 1.00 1.72 H new ATOM 0 HZ1 LYS A 74 -2.596 -16.006 -16.899 1.00 2.14 H new ATOM 0 HZ2 LYS A 74 -1.777 -17.393 -17.435 1.00 2.14 H new ATOM 0 HZ3 LYS A 74 -2.705 -17.451 -16.014 1.00 2.14 H new ATOM 1265 N ASN A 75 -0.052 -16.912 -9.813 1.00 0.72 N ATOM 1266 CA ASN A 75 0.212 -16.879 -8.368 1.00 0.67 C ATOM 1267 C ASN A 75 1.433 -16.006 -8.005 1.00 0.56 C ATOM 1268 O ASN A 75 2.318 -16.419 -7.252 1.00 0.53 O ATOM 1269 CB ASN A 75 0.296 -18.304 -7.788 1.00 0.81 C ATOM 1270 CG ASN A 75 -0.929 -19.157 -8.103 1.00 1.03 C ATOM 1271 OD1 ASN A 75 -0.918 -19.981 -9.010 1.00 1.66 O ATOM 1272 ND2 ASN A 75 -2.015 -18.990 -7.367 1.00 1.73 N ATOM 0 H ASN A 75 -0.961 -16.512 -10.046 1.00 0.72 H new ATOM 0 HA ASN A 75 -0.639 -16.391 -7.893 1.00 0.67 H new ATOM 0 HB2 ASN A 75 1.185 -18.797 -8.182 1.00 0.81 H new ATOM 0 HB3 ASN A 75 0.419 -18.242 -6.707 1.00 0.81 H new ATOM 0 HD21 ASN A 75 -2.848 -19.548 -7.553 1.00 1.73 H new ATOM 0 HD22 ASN A 75 -2.019 -18.303 -6.613 1.00 1.73 H new ATOM 1279 N PHE A 76 1.486 -14.774 -8.527 1.00 0.53 N ATOM 1280 CA PHE A 76 2.590 -13.832 -8.313 1.00 0.48 C ATOM 1281 C PHE A 76 2.725 -13.360 -6.854 1.00 0.46 C ATOM 1282 O PHE A 76 3.784 -12.844 -6.491 1.00 0.47 O ATOM 1283 CB PHE A 76 2.447 -12.659 -9.292 1.00 0.47 C ATOM 1284 CG PHE A 76 3.031 -12.923 -10.667 1.00 0.51 C ATOM 1285 CD1 PHE A 76 2.267 -13.518 -11.687 1.00 2.23 C ATOM 1286 CD2 PHE A 76 4.363 -12.552 -10.928 1.00 1.91 C ATOM 1287 CE1 PHE A 76 2.827 -13.706 -12.964 1.00 2.27 C ATOM 1288 CE2 PHE A 76 4.927 -12.749 -12.203 1.00 1.89 C ATOM 1289 CZ PHE A 76 4.154 -13.324 -13.222 1.00 0.62 C ATOM 0 H PHE A 76 0.748 -14.398 -9.122 1.00 0.53 H new ATOM 0 HA PHE A 76 3.522 -14.359 -8.515 1.00 0.48 H new ATOM 0 HB2 PHE A 76 1.390 -12.416 -9.399 1.00 0.47 H new ATOM 0 HB3 PHE A 76 2.934 -11.782 -8.865 1.00 0.47 H new ATOM 0 HD1 PHE A 76 1.252 -13.830 -11.490 1.00 2.23 H new ATOM 0 HD2 PHE A 76 4.959 -12.112 -10.142 1.00 1.91 H new ATOM 0 HE1 PHE A 76 2.233 -14.147 -13.751 1.00 2.27 H new ATOM 0 HE2 PHE A 76 5.949 -12.459 -12.395 1.00 1.89 H new ATOM 0 HZ PHE A 76 4.578 -13.473 -14.204 1.00 0.62 H new ATOM 1299 N LEU A 77 1.743 -13.644 -5.982 1.00 0.46 N ATOM 1300 CA LEU A 77 1.911 -13.562 -4.523 1.00 0.46 C ATOM 1301 C LEU A 77 3.123 -14.368 -4.008 1.00 0.48 C ATOM 1302 O LEU A 77 3.660 -14.044 -2.952 1.00 0.54 O ATOM 1303 CB LEU A 77 0.631 -14.027 -3.788 1.00 0.52 C ATOM 1304 CG LEU A 77 -0.568 -13.057 -3.849 1.00 0.63 C ATOM 1305 CD1 LEU A 77 -1.589 -13.447 -4.930 1.00 1.32 C ATOM 1306 CD2 LEU A 77 -1.318 -12.999 -2.511 1.00 0.98 C ATOM 0 H LEU A 77 0.810 -13.937 -6.270 1.00 0.46 H new ATOM 0 HA LEU A 77 2.098 -12.511 -4.304 1.00 0.46 H new ATOM 0 HB2 LEU A 77 0.321 -14.984 -4.207 1.00 0.52 H new ATOM 0 HB3 LEU A 77 0.879 -14.203 -2.741 1.00 0.52 H new ATOM 0 HG LEU A 77 -0.135 -12.086 -4.088 1.00 0.63 H new ATOM 0 HD11 LEU A 77 -2.411 -12.731 -4.929 1.00 1.32 H new ATOM 0 HD12 LEU A 77 -1.105 -13.442 -5.907 1.00 1.32 H new ATOM 0 HD13 LEU A 77 -1.976 -14.445 -4.722 1.00 1.32 H new ATOM 0 HD21 LEU A 77 -2.155 -12.306 -2.593 1.00 0.98 H new ATOM 0 HD22 LEU A 77 -1.692 -13.992 -2.260 1.00 0.98 H new ATOM 0 HD23 LEU A 77 -0.640 -12.658 -1.728 1.00 0.98 H new ATOM 1318 N ALA A 78 3.585 -15.387 -4.745 1.00 0.47 N ATOM 1319 CA ALA A 78 4.776 -16.167 -4.407 1.00 0.51 C ATOM 1320 C ALA A 78 6.102 -15.417 -4.647 1.00 0.51 C ATOM 1321 O ALA A 78 7.123 -15.803 -4.074 1.00 0.55 O ATOM 1322 CB ALA A 78 4.731 -17.462 -5.228 1.00 0.56 C ATOM 0 H ALA A 78 3.132 -15.695 -5.606 1.00 0.47 H new ATOM 0 HA ALA A 78 4.757 -16.370 -3.336 1.00 0.51 H new ATOM 0 HB1 ALA A 78 5.607 -18.068 -4.999 1.00 0.56 H new ATOM 0 HB2 ALA A 78 3.828 -18.020 -4.978 1.00 0.56 H new ATOM 0 HB3 ALA A 78 4.725 -17.219 -6.291 1.00 0.56 H new ATOM 1328 N ILE A 79 6.116 -14.377 -5.497 1.00 0.50 N ATOM 1329 CA ILE A 79 7.351 -13.693 -5.936 1.00 0.52 C ATOM 1330 C ILE A 79 7.372 -12.176 -5.701 1.00 0.51 C ATOM 1331 O ILE A 79 8.451 -11.585 -5.718 1.00 0.51 O ATOM 1332 CB ILE A 79 7.702 -14.036 -7.404 1.00 0.56 C ATOM 1333 CG1 ILE A 79 6.839 -13.319 -8.470 1.00 0.59 C ATOM 1334 CG2 ILE A 79 7.672 -15.553 -7.663 1.00 0.58 C ATOM 1335 CD1 ILE A 79 7.740 -12.457 -9.360 1.00 0.64 C ATOM 0 H ILE A 79 5.268 -13.982 -5.903 1.00 0.50 H new ATOM 0 HA ILE A 79 8.129 -14.090 -5.284 1.00 0.52 H new ATOM 0 HB ILE A 79 8.717 -13.656 -7.519 1.00 0.56 H new ATOM 0 HG12 ILE A 79 6.306 -14.052 -9.075 1.00 0.59 H new ATOM 0 HG13 ILE A 79 6.086 -12.697 -7.986 1.00 0.59 H new ATOM 0 HG21 ILE A 79 7.924 -15.749 -8.705 1.00 0.58 H new ATOM 0 HG22 ILE A 79 8.396 -16.047 -7.015 1.00 0.58 H new ATOM 0 HG23 ILE A 79 6.674 -15.938 -7.452 1.00 0.58 H new ATOM 0 HD11 ILE A 79 7.133 -11.952 -10.111 1.00 0.64 H new ATOM 0 HD12 ILE A 79 8.253 -11.715 -8.748 1.00 0.64 H new ATOM 0 HD13 ILE A 79 8.476 -13.091 -9.855 1.00 0.64 H new ATOM 1347 N ASP A 80 6.223 -11.531 -5.476 1.00 0.54 N ATOM 1348 CA ASP A 80 6.146 -10.091 -5.226 1.00 0.60 C ATOM 1349 C ASP A 80 6.622 -9.753 -3.791 1.00 0.63 C ATOM 1350 O ASP A 80 6.048 -10.272 -2.825 1.00 0.76 O ATOM 1351 CB ASP A 80 4.710 -9.597 -5.475 1.00 0.80 C ATOM 1352 CG ASP A 80 4.595 -8.060 -5.469 1.00 1.27 C ATOM 1353 OD1 ASP A 80 5.374 -7.403 -4.740 1.00 2.15 O ATOM 1354 OD2 ASP A 80 3.728 -7.522 -6.192 1.00 2.41 O ATOM 0 H ASP A 80 5.316 -11.997 -5.462 1.00 0.54 H new ATOM 0 HA ASP A 80 6.813 -9.574 -5.916 1.00 0.60 H new ATOM 0 HB2 ASP A 80 4.361 -9.979 -6.435 1.00 0.80 H new ATOM 0 HB3 ASP A 80 4.052 -10.009 -4.710 1.00 0.80 H new ATOM 1359 N PRO A 81 7.631 -8.873 -3.619 1.00 0.60 N ATOM 1360 CA PRO A 81 8.139 -8.492 -2.307 1.00 0.65 C ATOM 1361 C PRO A 81 7.235 -7.523 -1.524 1.00 0.68 C ATOM 1362 O PRO A 81 7.446 -7.402 -0.320 1.00 0.72 O ATOM 1363 CB PRO A 81 9.522 -7.890 -2.577 1.00 0.67 C ATOM 1364 CG PRO A 81 9.381 -7.292 -3.974 1.00 0.66 C ATOM 1365 CD PRO A 81 8.447 -8.275 -4.669 1.00 0.61 C ATOM 0 HA PRO A 81 8.177 -9.365 -1.656 1.00 0.65 H new ATOM 0 HB2 PRO A 81 9.781 -7.131 -1.839 1.00 0.67 H new ATOM 0 HB3 PRO A 81 10.304 -8.648 -2.542 1.00 0.67 H new ATOM 0 HG2 PRO A 81 8.960 -6.287 -3.943 1.00 0.66 H new ATOM 0 HG3 PRO A 81 10.343 -7.220 -4.482 1.00 0.66 H new ATOM 0 HD2 PRO A 81 7.824 -7.766 -5.404 1.00 0.61 H new ATOM 0 HD3 PRO A 81 9.013 -9.038 -5.204 1.00 0.61 H new ATOM 1373 N VAL A 82 6.236 -6.851 -2.129 1.00 0.67 N ATOM 1374 CA VAL A 82 5.418 -5.828 -1.423 1.00 0.69 C ATOM 1375 C VAL A 82 4.467 -6.400 -0.349 1.00 0.71 C ATOM 1376 O VAL A 82 3.775 -5.640 0.327 1.00 0.87 O ATOM 1377 CB VAL A 82 4.610 -4.908 -2.376 1.00 0.77 C ATOM 1378 CG1 VAL A 82 5.496 -4.269 -3.464 1.00 2.06 C ATOM 1379 CG2 VAL A 82 3.362 -5.609 -2.947 1.00 1.77 C ATOM 0 H VAL A 82 5.971 -6.993 -3.104 1.00 0.67 H new ATOM 0 HA VAL A 82 6.174 -5.229 -0.916 1.00 0.69 H new ATOM 0 HB VAL A 82 4.237 -4.081 -1.772 1.00 0.77 H new ATOM 0 HG11 VAL A 82 4.884 -3.635 -4.105 1.00 2.06 H new ATOM 0 HG12 VAL A 82 6.273 -3.667 -2.993 1.00 2.06 H new ATOM 0 HG13 VAL A 82 5.958 -5.053 -4.064 1.00 2.06 H new ATOM 0 HG21 VAL A 82 2.830 -4.924 -3.608 1.00 1.77 H new ATOM 0 HG22 VAL A 82 3.666 -6.492 -3.508 1.00 1.77 H new ATOM 0 HG23 VAL A 82 2.706 -5.907 -2.129 1.00 1.77 H new ATOM 1389 N LEU A 83 4.423 -7.729 -0.192 1.00 0.67 N ATOM 1390 CA LEU A 83 3.668 -8.436 0.851 1.00 0.73 C ATOM 1391 C LEU A 83 4.557 -9.256 1.805 1.00 0.74 C ATOM 1392 O LEU A 83 4.045 -9.879 2.736 1.00 0.80 O ATOM 1393 CB LEU A 83 2.557 -9.272 0.178 1.00 0.77 C ATOM 1394 CG LEU A 83 2.993 -10.362 -0.833 1.00 0.75 C ATOM 1395 CD1 LEU A 83 3.659 -11.585 -0.180 1.00 0.82 C ATOM 1396 CD2 LEU A 83 1.746 -10.839 -1.589 1.00 0.84 C ATOM 0 H LEU A 83 4.930 -8.364 -0.809 1.00 0.67 H new ATOM 0 HA LEU A 83 3.205 -7.699 1.507 1.00 0.73 H new ATOM 0 HB2 LEU A 83 1.977 -9.756 0.964 1.00 0.77 H new ATOM 0 HB3 LEU A 83 1.885 -8.585 -0.337 1.00 0.77 H new ATOM 0 HG LEU A 83 3.736 -9.910 -1.490 1.00 0.75 H new ATOM 0 HD11 LEU A 83 3.936 -12.304 -0.951 1.00 0.82 H new ATOM 0 HD12 LEU A 83 4.552 -11.269 0.359 1.00 0.82 H new ATOM 0 HD13 LEU A 83 2.961 -12.051 0.516 1.00 0.82 H new ATOM 0 HD21 LEU A 83 2.028 -11.608 -2.308 1.00 0.84 H new ATOM 0 HD22 LEU A 83 1.027 -11.251 -0.881 1.00 0.84 H new ATOM 0 HD23 LEU A 83 1.296 -9.998 -2.116 1.00 0.84 H new ATOM 1408 N ASN A 84 5.875 -9.288 1.579 1.00 0.73 N ATOM 1409 CA ASN A 84 6.811 -10.138 2.318 1.00 0.76 C ATOM 1410 C ASN A 84 7.544 -9.344 3.417 1.00 0.68 C ATOM 1411 O ASN A 84 8.431 -8.562 3.068 1.00 0.65 O ATOM 1412 CB ASN A 84 7.829 -10.728 1.331 1.00 0.84 C ATOM 1413 CG ASN A 84 8.772 -11.726 2.010 1.00 1.38 C ATOM 1414 OD1 ASN A 84 8.448 -12.335 3.023 1.00 1.94 O ATOM 1415 ND2 ASN A 84 9.979 -11.894 1.508 1.00 1.86 N ATOM 0 H ASN A 84 6.327 -8.715 0.866 1.00 0.73 H new ATOM 0 HA ASN A 84 6.251 -10.936 2.805 1.00 0.76 H new ATOM 0 HB2 ASN A 84 7.300 -11.224 0.518 1.00 0.84 H new ATOM 0 HB3 ASN A 84 8.413 -9.922 0.887 1.00 0.84 H new ATOM 0 HD21 ASN A 84 10.637 -12.528 1.962 1.00 1.86 H new ATOM 0 HD22 ASN A 84 10.255 -11.390 0.665 1.00 1.86 H new ATOM 1422 N PRO A 85 7.253 -9.549 4.719 1.00 0.69 N ATOM 1423 CA PRO A 85 7.766 -8.703 5.803 1.00 0.65 C ATOM 1424 C PRO A 85 9.298 -8.710 5.945 1.00 0.68 C ATOM 1425 O PRO A 85 9.852 -7.773 6.516 1.00 0.69 O ATOM 1426 CB PRO A 85 7.069 -9.198 7.077 1.00 0.71 C ATOM 1427 CG PRO A 85 6.699 -10.643 6.754 1.00 0.77 C ATOM 1428 CD PRO A 85 6.374 -10.576 5.264 1.00 0.78 C ATOM 0 HA PRO A 85 7.544 -7.657 5.590 1.00 0.65 H new ATOM 0 HB2 PRO A 85 7.729 -9.138 7.943 1.00 0.71 H new ATOM 0 HB3 PRO A 85 6.186 -8.601 7.307 1.00 0.71 H new ATOM 0 HG2 PRO A 85 7.522 -11.328 6.959 1.00 0.77 H new ATOM 0 HG3 PRO A 85 5.846 -10.984 7.340 1.00 0.77 H new ATOM 0 HD2 PRO A 85 6.547 -11.538 4.781 1.00 0.78 H new ATOM 0 HD3 PRO A 85 5.326 -10.322 5.102 1.00 0.78 H new ATOM 1436 N GLU A 86 9.995 -9.713 5.393 1.00 0.77 N ATOM 1437 CA GLU A 86 11.464 -9.789 5.392 1.00 0.90 C ATOM 1438 C GLU A 86 12.125 -8.704 4.519 1.00 0.89 C ATOM 1439 O GLU A 86 13.232 -8.258 4.829 1.00 0.99 O ATOM 1440 CB GLU A 86 11.920 -11.172 4.900 1.00 1.07 C ATOM 1441 CG GLU A 86 11.421 -12.327 5.782 1.00 1.20 C ATOM 1442 CD GLU A 86 11.965 -13.702 5.349 1.00 2.07 C ATOM 1443 OE1 GLU A 86 12.385 -13.878 4.179 1.00 3.50 O ATOM 1444 OE2 GLU A 86 11.958 -14.636 6.188 1.00 2.47 O ATOM 0 H GLU A 86 9.550 -10.504 4.929 1.00 0.77 H new ATOM 0 HA GLU A 86 11.781 -9.621 6.421 1.00 0.90 H new ATOM 0 HB2 GLU A 86 11.564 -11.323 3.881 1.00 1.07 H new ATOM 0 HB3 GLU A 86 13.009 -11.196 4.864 1.00 1.07 H new ATOM 0 HG2 GLU A 86 11.712 -12.138 6.815 1.00 1.20 H new ATOM 0 HG3 GLU A 86 10.332 -12.350 5.756 1.00 1.20 H new ATOM 1451 N ASN A 87 11.462 -8.252 3.445 1.00 0.80 N ATOM 1452 CA ASN A 87 11.957 -7.172 2.579 1.00 0.83 C ATOM 1453 C ASN A 87 11.871 -5.786 3.253 1.00 0.73 C ATOM 1454 O ASN A 87 12.650 -4.888 2.927 1.00 0.77 O ATOM 1455 CB ASN A 87 11.166 -7.175 1.257 1.00 0.92 C ATOM 1456 CG ASN A 87 11.550 -8.337 0.345 1.00 1.31 C ATOM 1457 OD1 ASN A 87 10.971 -9.415 0.392 1.00 2.89 O ATOM 1458 ND2 ASN A 87 12.538 -8.156 -0.515 1.00 1.48 N ATOM 0 H ASN A 87 10.561 -8.628 3.151 1.00 0.80 H new ATOM 0 HA ASN A 87 13.013 -7.360 2.384 1.00 0.83 H new ATOM 0 HB2 ASN A 87 10.100 -7.227 1.476 1.00 0.92 H new ATOM 0 HB3 ASN A 87 11.338 -6.235 0.733 1.00 0.92 H new ATOM 0 HD21 ASN A 87 12.817 -8.914 -1.138 1.00 1.48 H new ATOM 0 HD22 ASN A 87 13.021 -7.259 -0.555 1.00 1.48 H new ATOM 1465 N PHE A 88 10.942 -5.607 4.201 1.00 0.67 N ATOM 1466 CA PHE A 88 10.683 -4.348 4.906 1.00 0.64 C ATOM 1467 C PHE A 88 11.636 -4.182 6.100 1.00 0.70 C ATOM 1468 O PHE A 88 11.223 -4.164 7.259 1.00 0.77 O ATOM 1469 CB PHE A 88 9.208 -4.290 5.327 1.00 0.63 C ATOM 1470 CG PHE A 88 8.242 -4.294 4.166 1.00 0.59 C ATOM 1471 CD1 PHE A 88 7.838 -5.512 3.601 1.00 1.59 C ATOM 1472 CD2 PHE A 88 7.753 -3.086 3.651 1.00 1.94 C ATOM 1473 CE1 PHE A 88 6.945 -5.540 2.516 1.00 1.58 C ATOM 1474 CE2 PHE A 88 6.804 -3.108 2.621 1.00 1.95 C ATOM 1475 CZ PHE A 88 6.416 -4.327 2.037 1.00 0.58 C ATOM 0 H PHE A 88 10.329 -6.362 4.508 1.00 0.67 H new ATOM 0 HA PHE A 88 10.876 -3.510 4.236 1.00 0.64 H new ATOM 0 HB2 PHE A 88 8.990 -5.141 5.972 1.00 0.63 H new ATOM 0 HB3 PHE A 88 9.044 -3.391 5.921 1.00 0.63 H new ATOM 0 HD1 PHE A 88 8.217 -6.439 4.004 1.00 1.59 H new ATOM 0 HD2 PHE A 88 8.105 -2.144 4.046 1.00 1.94 H new ATOM 0 HE1 PHE A 88 6.669 -6.478 2.057 1.00 1.58 H new ATOM 0 HE2 PHE A 88 6.368 -2.183 2.273 1.00 1.95 H new ATOM 0 HZ PHE A 88 5.711 -4.332 1.219 1.00 0.58 H new ATOM 1485 N SER A 89 12.932 -4.056 5.824 1.00 0.71 N ATOM 1486 CA SER A 89 13.988 -4.157 6.850 1.00 0.80 C ATOM 1487 C SER A 89 14.028 -2.950 7.809 1.00 0.88 C ATOM 1488 O SER A 89 14.558 -3.051 8.917 1.00 0.99 O ATOM 1489 CB SER A 89 15.355 -4.307 6.164 1.00 0.83 C ATOM 1490 OG SER A 89 15.361 -5.363 5.206 1.00 0.84 O ATOM 0 H SER A 89 13.288 -3.881 4.884 1.00 0.71 H new ATOM 0 HA SER A 89 13.755 -5.034 7.455 1.00 0.80 H new ATOM 0 HB2 SER A 89 15.618 -3.370 5.672 1.00 0.83 H new ATOM 0 HB3 SER A 89 16.119 -4.497 6.917 1.00 0.83 H new ATOM 0 HG SER A 89 16.247 -5.424 4.792 1.00 0.84 H new ATOM 1496 N GLN A 90 13.424 -1.826 7.408 1.00 0.85 N ATOM 1497 CA GLN A 90 13.143 -0.656 8.251 1.00 0.94 C ATOM 1498 C GLN A 90 11.643 -0.275 8.192 1.00 0.84 C ATOM 1499 O GLN A 90 11.279 0.885 8.392 1.00 0.87 O ATOM 1500 CB GLN A 90 14.063 0.510 7.835 1.00 1.05 C ATOM 1501 CG GLN A 90 15.557 0.182 8.010 1.00 1.13 C ATOM 1502 CD GLN A 90 16.457 1.404 7.803 1.00 1.35 C ATOM 1503 OE1 GLN A 90 16.306 2.182 6.866 1.00 2.33 O ATOM 1504 NE2 GLN A 90 17.428 1.632 8.666 1.00 2.31 N ATOM 0 H GLN A 90 13.104 -1.700 6.448 1.00 0.85 H new ATOM 0 HA GLN A 90 13.356 -0.899 9.292 1.00 0.94 H new ATOM 0 HB2 GLN A 90 13.871 0.764 6.793 1.00 1.05 H new ATOM 0 HB3 GLN A 90 13.817 1.391 8.428 1.00 1.05 H new ATOM 0 HG2 GLN A 90 15.722 -0.221 9.009 1.00 1.13 H new ATOM 0 HG3 GLN A 90 15.840 -0.597 7.302 1.00 1.13 H new ATOM 0 HE21 GLN A 90 17.571 0.998 9.452 1.00 2.31 H new ATOM 0 HE22 GLN A 90 18.036 2.442 8.547 1.00 2.31 H new ATOM 1513 N GLY A 91 10.764 -1.238 7.874 1.00 0.77 N ATOM 1514 CA GLY A 91 9.311 -1.037 7.757 1.00 0.75 C ATOM 1515 C GLY A 91 8.863 -0.384 6.442 1.00 0.64 C ATOM 1516 O GLY A 91 7.710 0.015 6.333 1.00 0.68 O ATOM 0 H GLY A 91 11.050 -2.199 7.687 1.00 0.77 H new ATOM 0 HA2 GLY A 91 8.814 -2.002 7.857 1.00 0.75 H new ATOM 0 HA3 GLY A 91 8.974 -0.418 8.589 1.00 0.75 H new ATOM 1520 N HIS A 92 9.734 -0.299 5.435 1.00 0.56 N ATOM 1521 CA HIS A 92 9.509 0.444 4.189 1.00 0.54 C ATOM 1522 C HIS A 92 10.138 -0.289 2.988 1.00 0.54 C ATOM 1523 O HIS A 92 11.056 -1.098 3.162 1.00 0.58 O ATOM 1524 CB HIS A 92 10.103 1.852 4.360 1.00 0.61 C ATOM 1525 CG HIS A 92 10.086 2.701 3.113 1.00 0.61 C ATOM 1526 ND1 HIS A 92 8.990 3.047 2.354 1.00 0.60 N ATOM 1527 CD2 HIS A 92 11.190 3.164 2.453 1.00 0.78 C ATOM 1528 CE1 HIS A 92 9.424 3.689 1.261 1.00 0.71 C ATOM 1529 NE2 HIS A 92 10.760 3.804 1.288 1.00 0.82 N ATOM 0 H HIS A 92 10.644 -0.759 5.463 1.00 0.56 H new ATOM 0 HA HIS A 92 8.441 0.518 3.985 1.00 0.54 H new ATOM 0 HB2 HIS A 92 9.551 2.371 5.144 1.00 0.61 H new ATOM 0 HB3 HIS A 92 11.133 1.757 4.704 1.00 0.61 H new ATOM 0 HD1 HIS A 92 8.016 2.849 2.584 1.00 0.60 H new ATOM 0 HD2 HIS A 92 12.215 3.054 2.776 1.00 0.78 H new ATOM 0 HE1 HIS A 92 8.789 4.061 0.471 1.00 0.71 H new ATOM 1537 N LEU A 93 9.656 -0.002 1.769 1.00 0.56 N ATOM 1538 CA LEU A 93 10.176 -0.569 0.526 1.00 0.61 C ATOM 1539 C LEU A 93 10.074 0.428 -0.651 1.00 0.61 C ATOM 1540 O LEU A 93 9.108 1.184 -0.758 1.00 0.57 O ATOM 1541 CB LEU A 93 9.405 -1.876 0.246 1.00 0.64 C ATOM 1542 CG LEU A 93 10.094 -2.898 -0.671 1.00 0.86 C ATOM 1543 CD1 LEU A 93 11.367 -3.426 -0.002 1.00 1.12 C ATOM 1544 CD2 LEU A 93 9.141 -4.076 -0.915 1.00 1.56 C ATOM 0 H LEU A 93 8.880 0.643 1.622 1.00 0.56 H new ATOM 0 HA LEU A 93 11.239 -0.783 0.633 1.00 0.61 H new ATOM 0 HB2 LEU A 93 9.197 -2.360 1.200 1.00 0.64 H new ATOM 0 HB3 LEU A 93 8.443 -1.616 -0.196 1.00 0.64 H new ATOM 0 HG LEU A 93 10.351 -2.416 -1.614 1.00 0.86 H new ATOM 0 HD11 LEU A 93 11.850 -4.150 -0.659 1.00 1.12 H new ATOM 0 HD12 LEU A 93 12.049 -2.597 0.188 1.00 1.12 H new ATOM 0 HD13 LEU A 93 11.109 -3.907 0.942 1.00 1.12 H new ATOM 0 HD21 LEU A 93 9.623 -4.806 -1.565 1.00 1.56 H new ATOM 0 HD22 LEU A 93 8.893 -4.546 0.036 1.00 1.56 H new ATOM 0 HD23 LEU A 93 8.229 -3.714 -1.390 1.00 1.56 H new ATOM 1556 N MET A 94 11.056 0.413 -1.557 1.00 0.66 N ATOM 1557 CA MET A 94 11.088 1.219 -2.793 1.00 0.60 C ATOM 1558 C MET A 94 11.184 0.304 -4.013 1.00 0.56 C ATOM 1559 O MET A 94 11.975 -0.640 -3.995 1.00 0.70 O ATOM 1560 CB MET A 94 12.318 2.138 -2.784 1.00 0.67 C ATOM 1561 CG MET A 94 12.177 3.277 -1.779 1.00 0.80 C ATOM 1562 SD MET A 94 13.704 4.215 -1.559 1.00 0.82 S ATOM 1563 CE MET A 94 12.971 5.726 -0.898 1.00 0.77 C ATOM 0 H MET A 94 11.880 -0.178 -1.452 1.00 0.66 H new ATOM 0 HA MET A 94 10.174 1.812 -2.842 1.00 0.60 H new ATOM 0 HB2 MET A 94 13.206 1.552 -2.545 1.00 0.67 H new ATOM 0 HB3 MET A 94 12.468 2.552 -3.781 1.00 0.67 H new ATOM 0 HG2 MET A 94 11.387 3.951 -2.110 1.00 0.80 H new ATOM 0 HG3 MET A 94 11.865 2.869 -0.817 1.00 0.80 H new ATOM 0 HE1 MET A 94 13.740 6.494 -0.807 1.00 0.77 H new ATOM 0 HE2 MET A 94 12.188 6.075 -1.571 1.00 0.77 H new ATOM 0 HE3 MET A 94 12.542 5.523 0.084 1.00 0.77 H new ATOM 1573 N TRP A 95 10.453 0.596 -5.094 1.00 0.48 N ATOM 1574 CA TRP A 95 10.580 -0.187 -6.326 1.00 0.46 C ATOM 1575 C TRP A 95 11.833 0.279 -7.080 1.00 0.51 C ATOM 1576 O TRP A 95 11.921 1.421 -7.538 1.00 0.54 O ATOM 1577 CB TRP A 95 9.347 -0.047 -7.234 1.00 0.39 C ATOM 1578 CG TRP A 95 7.990 -0.466 -6.746 1.00 0.38 C ATOM 1579 CD1 TRP A 95 7.588 -0.610 -5.463 1.00 0.45 C ATOM 1580 CD2 TRP A 95 6.791 -0.686 -7.555 1.00 0.40 C ATOM 1581 NE1 TRP A 95 6.229 -0.838 -5.424 1.00 0.50 N ATOM 1582 CE2 TRP A 95 5.672 -0.819 -6.681 1.00 0.51 C ATOM 1583 CE3 TRP A 95 6.527 -0.705 -8.943 1.00 0.43 C ATOM 1584 CZ2 TRP A 95 4.353 -0.859 -7.155 1.00 0.68 C ATOM 1585 CZ3 TRP A 95 5.208 -0.769 -9.432 1.00 0.59 C ATOM 1586 CH2 TRP A 95 4.122 -0.815 -8.540 1.00 0.73 C ATOM 0 H TRP A 95 9.776 1.358 -5.141 1.00 0.48 H new ATOM 0 HA TRP A 95 10.662 -1.239 -6.053 1.00 0.46 H new ATOM 0 HB2 TRP A 95 9.276 1.002 -7.521 1.00 0.39 H new ATOM 0 HB3 TRP A 95 9.551 -0.613 -8.143 1.00 0.39 H new ATOM 0 HD1 TRP A 95 8.234 -0.555 -4.599 1.00 0.45 H new ATOM 0 HE1 TRP A 95 5.701 -1.001 -4.567 1.00 0.50 H new ATOM 0 HE3 TRP A 95 7.351 -0.670 -9.641 1.00 0.43 H new ATOM 0 HZ2 TRP A 95 3.525 -0.923 -6.464 1.00 0.68 H new ATOM 0 HZ3 TRP A 95 5.030 -0.783 -10.497 1.00 0.59 H new ATOM 0 HH2 TRP A 95 3.111 -0.817 -8.919 1.00 0.73 H new ATOM 1597 N ASN A 96 12.792 -0.631 -7.221 1.00 0.57 N ATOM 1598 CA ASN A 96 14.039 -0.446 -7.959 1.00 0.62 C ATOM 1599 C ASN A 96 14.230 -1.645 -8.904 1.00 0.59 C ATOM 1600 O ASN A 96 13.661 -2.712 -8.673 1.00 0.62 O ATOM 1601 CB ASN A 96 15.188 -0.288 -6.942 1.00 0.73 C ATOM 1602 CG ASN A 96 16.394 0.470 -7.495 1.00 1.46 C ATOM 1603 OD1 ASN A 96 16.826 0.267 -8.623 1.00 3.09 O ATOM 1604 ND2 ASN A 96 16.967 1.373 -6.720 1.00 1.64 N ATOM 0 H ASN A 96 12.719 -1.560 -6.806 1.00 0.57 H new ATOM 0 HA ASN A 96 14.022 0.453 -8.575 1.00 0.62 H new ATOM 0 HB2 ASN A 96 14.814 0.234 -6.062 1.00 0.73 H new ATOM 0 HB3 ASN A 96 15.510 -1.276 -6.614 1.00 0.73 H new ATOM 0 HD21 ASN A 96 17.770 1.902 -7.061 1.00 1.64 H new ATOM 0 HD22 ASN A 96 16.607 1.541 -5.781 1.00 1.64 H new ATOM 1611 N ASP A 97 15.036 -1.505 -9.952 1.00 0.60 N ATOM 1612 CA ASP A 97 15.355 -2.606 -10.868 1.00 0.58 C ATOM 1613 C ASP A 97 16.099 -3.754 -10.155 1.00 0.54 C ATOM 1614 O ASP A 97 15.912 -4.919 -10.497 1.00 0.56 O ATOM 1615 CB ASP A 97 16.095 -2.045 -12.089 1.00 0.58 C ATOM 1616 CG ASP A 97 15.185 -1.076 -12.856 1.00 1.21 C ATOM 1617 OD1 ASP A 97 14.092 -1.505 -13.295 1.00 2.16 O ATOM 1618 OD2 ASP A 97 15.497 0.134 -12.936 1.00 2.08 O ATOM 0 H ASP A 97 15.490 -0.624 -10.194 1.00 0.60 H new ATOM 0 HA ASP A 97 14.433 -3.065 -11.226 1.00 0.58 H new ATOM 0 HB2 ASP A 97 17.001 -1.530 -11.770 1.00 0.58 H new ATOM 0 HB3 ASP A 97 16.405 -2.860 -12.743 1.00 0.58 H new ATOM 1623 N ASP A 98 16.883 -3.434 -9.119 1.00 0.54 N ATOM 1624 CA ASP A 98 17.458 -4.405 -8.175 1.00 0.61 C ATOM 1625 C ASP A 98 16.402 -5.077 -7.271 1.00 0.66 C ATOM 1626 O ASP A 98 16.463 -6.289 -7.057 1.00 0.77 O ATOM 1627 CB ASP A 98 18.510 -3.685 -7.328 1.00 0.64 C ATOM 1628 CG ASP A 98 19.176 -4.618 -6.304 1.00 2.55 C ATOM 1629 OD1 ASP A 98 19.996 -5.473 -6.714 1.00 3.35 O ATOM 1630 OD2 ASP A 98 18.891 -4.478 -5.091 1.00 4.03 O ATOM 0 H ASP A 98 17.143 -2.471 -8.907 1.00 0.54 H new ATOM 0 HA ASP A 98 17.908 -5.212 -8.753 1.00 0.61 H new ATOM 0 HB2 ASP A 98 19.273 -3.264 -7.982 1.00 0.64 H new ATOM 0 HB3 ASP A 98 18.043 -2.851 -6.805 1.00 0.64 H new ATOM 1635 N LEU A 99 15.399 -4.327 -6.792 1.00 0.65 N ATOM 1636 CA LEU A 99 14.258 -4.861 -6.021 1.00 0.78 C ATOM 1637 C LEU A 99 13.350 -5.769 -6.881 1.00 0.88 C ATOM 1638 O LEU A 99 12.490 -6.473 -6.356 1.00 1.52 O ATOM 1639 CB LEU A 99 13.455 -3.686 -5.402 1.00 0.82 C ATOM 1640 CG LEU A 99 13.007 -3.850 -3.932 1.00 0.84 C ATOM 1641 CD1 LEU A 99 12.277 -5.163 -3.629 1.00 1.52 C ATOM 1642 CD2 LEU A 99 14.192 -3.652 -2.984 1.00 1.79 C ATOM 0 H LEU A 99 15.353 -3.317 -6.929 1.00 0.65 H new ATOM 0 HA LEU A 99 14.650 -5.487 -5.220 1.00 0.78 H new ATOM 0 HB2 LEU A 99 14.062 -2.784 -5.474 1.00 0.82 H new ATOM 0 HB3 LEU A 99 12.567 -3.522 -6.012 1.00 0.82 H new ATOM 0 HG LEU A 99 12.267 -3.068 -3.763 1.00 0.84 H new ATOM 0 HD11 LEU A 99 12.001 -5.191 -2.575 1.00 1.52 H new ATOM 0 HD12 LEU A 99 11.378 -5.229 -4.242 1.00 1.52 H new ATOM 0 HD13 LEU A 99 12.933 -6.004 -3.854 1.00 1.52 H new ATOM 0 HD21 LEU A 99 13.857 -3.771 -1.953 1.00 1.79 H new ATOM 0 HD22 LEU A 99 14.961 -4.392 -3.204 1.00 1.79 H new ATOM 0 HD23 LEU A 99 14.602 -2.651 -3.119 1.00 1.79 H new ATOM 1654 N PHE A 100 13.525 -5.729 -8.206 1.00 0.51 N ATOM 1655 CA PHE A 100 12.820 -6.542 -9.195 1.00 0.57 C ATOM 1656 C PHE A 100 13.774 -7.542 -9.893 1.00 0.46 C ATOM 1657 O PHE A 100 13.409 -8.159 -10.894 1.00 0.46 O ATOM 1658 CB PHE A 100 12.133 -5.601 -10.200 1.00 0.75 C ATOM 1659 CG PHE A 100 10.829 -4.952 -9.749 1.00 0.95 C ATOM 1660 CD1 PHE A 100 10.740 -4.210 -8.555 1.00 1.48 C ATOM 1661 CD2 PHE A 100 9.679 -5.087 -10.547 1.00 1.75 C ATOM 1662 CE1 PHE A 100 9.516 -3.661 -8.139 1.00 1.54 C ATOM 1663 CE2 PHE A 100 8.464 -4.500 -10.156 1.00 1.97 C ATOM 1664 CZ PHE A 100 8.374 -3.801 -8.942 1.00 1.39 C ATOM 0 H PHE A 100 14.198 -5.095 -8.637 1.00 0.51 H new ATOM 0 HA PHE A 100 12.062 -7.148 -8.699 1.00 0.57 H new ATOM 0 HB2 PHE A 100 12.835 -4.809 -10.459 1.00 0.75 H new ATOM 0 HB3 PHE A 100 11.935 -6.163 -11.113 1.00 0.75 H new ATOM 0 HD1 PHE A 100 11.624 -4.061 -7.952 1.00 1.48 H new ATOM 0 HD2 PHE A 100 9.730 -5.647 -11.469 1.00 1.75 H new ATOM 0 HE1 PHE A 100 9.454 -3.131 -7.200 1.00 1.54 H new ATOM 0 HE2 PHE A 100 7.596 -4.587 -10.792 1.00 1.97 H new ATOM 0 HZ PHE A 100 7.433 -3.374 -8.628 1.00 1.39 H new ATOM 1674 N SER A 101 15.009 -7.704 -9.404 1.00 0.49 N ATOM 1675 CA SER A 101 16.044 -8.529 -10.050 1.00 0.55 C ATOM 1676 C SER A 101 15.752 -10.046 -9.971 1.00 0.59 C ATOM 1677 O SER A 101 16.156 -10.800 -10.860 1.00 0.71 O ATOM 1678 CB SER A 101 17.418 -8.151 -9.468 1.00 0.68 C ATOM 1679 OG SER A 101 18.479 -8.898 -10.047 1.00 0.85 O ATOM 0 H SER A 101 15.324 -7.263 -8.540 1.00 0.49 H new ATOM 0 HA SER A 101 16.043 -8.314 -11.118 1.00 0.55 H new ATOM 0 HB2 SER A 101 17.597 -7.088 -9.629 1.00 0.68 H new ATOM 0 HB3 SER A 101 17.410 -8.314 -8.390 1.00 0.68 H new ATOM 0 HG SER A 101 19.330 -8.622 -9.647 1.00 0.85 H new ATOM 1685 N GLU A 102 14.969 -10.498 -8.983 1.00 0.57 N ATOM 1686 CA GLU A 102 14.295 -11.802 -8.998 1.00 0.60 C ATOM 1687 C GLU A 102 12.923 -11.704 -9.693 1.00 0.54 C ATOM 1688 O GLU A 102 12.572 -12.560 -10.506 1.00 0.61 O ATOM 1689 CB GLU A 102 14.183 -12.391 -7.572 1.00 0.68 C ATOM 1690 CG GLU A 102 13.153 -11.782 -6.601 1.00 2.70 C ATOM 1691 CD GLU A 102 13.481 -10.335 -6.210 1.00 4.10 C ATOM 1692 OE1 GLU A 102 13.308 -9.442 -7.071 1.00 5.30 O ATOM 1693 OE2 GLU A 102 13.931 -10.105 -5.063 1.00 4.92 O ATOM 0 H GLU A 102 14.783 -9.959 -8.137 1.00 0.57 H new ATOM 0 HA GLU A 102 14.904 -12.493 -9.580 1.00 0.60 H new ATOM 0 HB2 GLU A 102 13.958 -13.453 -7.669 1.00 0.68 H new ATOM 0 HB3 GLU A 102 15.165 -12.314 -7.104 1.00 0.68 H new ATOM 0 HG2 GLU A 102 12.165 -11.813 -7.061 1.00 2.70 H new ATOM 0 HG3 GLU A 102 13.105 -12.394 -5.700 1.00 2.70 H new ATOM 1700 N ALA A 103 12.163 -10.635 -9.427 1.00 0.48 N ATOM 1701 CA ALA A 103 10.804 -10.410 -9.925 1.00 0.44 C ATOM 1702 C ALA A 103 10.737 -9.920 -11.390 1.00 0.40 C ATOM 1703 O ALA A 103 9.879 -9.119 -11.745 1.00 0.44 O ATOM 1704 CB ALA A 103 10.070 -9.490 -8.934 1.00 0.52 C ATOM 0 H ALA A 103 12.493 -9.873 -8.835 1.00 0.48 H new ATOM 0 HA ALA A 103 10.290 -11.370 -9.971 1.00 0.44 H new ATOM 0 HB1 ALA A 103 9.055 -9.310 -9.288 1.00 0.52 H new ATOM 0 HB2 ALA A 103 10.034 -9.966 -7.954 1.00 0.52 H new ATOM 0 HB3 ALA A 103 10.601 -8.541 -8.857 1.00 0.52 H new ATOM 1710 N GLN A 104 11.621 -10.407 -12.263 1.00 0.40 N ATOM 1711 CA GLN A 104 11.671 -10.057 -13.689 1.00 0.43 C ATOM 1712 C GLN A 104 10.386 -10.403 -14.491 1.00 0.49 C ATOM 1713 O GLN A 104 10.011 -9.588 -15.340 1.00 0.62 O ATOM 1714 CB GLN A 104 12.889 -10.739 -14.337 1.00 0.51 C ATOM 1715 CG GLN A 104 14.236 -10.227 -13.795 1.00 0.62 C ATOM 1716 CD GLN A 104 15.429 -10.961 -14.420 1.00 0.80 C ATOM 1717 OE1 GLN A 104 15.532 -11.137 -15.629 1.00 0.86 O ATOM 1718 NE2 GLN A 104 16.372 -11.432 -13.630 1.00 1.21 N ATOM 0 H GLN A 104 12.343 -11.075 -11.993 1.00 0.40 H new ATOM 0 HA GLN A 104 11.755 -8.971 -13.729 1.00 0.43 H new ATOM 0 HB2 GLN A 104 12.824 -11.814 -14.172 1.00 0.51 H new ATOM 0 HB3 GLN A 104 12.855 -10.579 -15.415 1.00 0.51 H new ATOM 0 HG2 GLN A 104 14.324 -9.159 -13.995 1.00 0.62 H new ATOM 0 HG3 GLN A 104 14.261 -10.352 -12.712 1.00 0.62 H new ATOM 0 HE21 GLN A 104 16.307 -11.297 -12.621 1.00 1.21 H new ATOM 0 HE22 GLN A 104 17.168 -11.932 -14.027 1.00 1.21 H new ATOM 1727 N PRO A 105 9.666 -11.532 -14.274 1.00 0.48 N ATOM 1728 CA PRO A 105 8.389 -11.769 -14.961 1.00 0.52 C ATOM 1729 C PRO A 105 7.286 -10.798 -14.508 1.00 0.44 C ATOM 1730 O PRO A 105 6.385 -10.481 -15.285 1.00 0.51 O ATOM 1731 CB PRO A 105 8.034 -13.235 -14.696 1.00 0.62 C ATOM 1732 CG PRO A 105 8.763 -13.563 -13.397 1.00 0.60 C ATOM 1733 CD PRO A 105 10.022 -12.705 -13.479 1.00 0.50 C ATOM 0 HA PRO A 105 8.480 -11.581 -16.031 1.00 0.52 H new ATOM 0 HB2 PRO A 105 6.957 -13.373 -14.595 1.00 0.62 H new ATOM 0 HB3 PRO A 105 8.363 -13.879 -15.512 1.00 0.62 H new ATOM 0 HG2 PRO A 105 8.161 -13.313 -12.523 1.00 0.60 H new ATOM 0 HG3 PRO A 105 9.002 -14.624 -13.326 1.00 0.60 H new ATOM 0 HD2 PRO A 105 10.359 -12.413 -12.484 1.00 0.50 H new ATOM 0 HD3 PRO A 105 10.839 -13.257 -13.944 1.00 0.50 H new ATOM 1741 N LEU A 106 7.388 -10.276 -13.281 1.00 0.43 N ATOM 1742 CA LEU A 106 6.518 -9.230 -12.746 1.00 0.46 C ATOM 1743 C LEU A 106 6.936 -7.844 -13.261 1.00 0.45 C ATOM 1744 O LEU A 106 6.065 -7.038 -13.569 1.00 0.40 O ATOM 1745 CB LEU A 106 6.511 -9.404 -11.217 1.00 0.50 C ATOM 1746 CG LEU A 106 5.873 -8.278 -10.386 1.00 0.55 C ATOM 1747 CD1 LEU A 106 5.112 -8.878 -9.196 1.00 1.40 C ATOM 1748 CD2 LEU A 106 6.952 -7.332 -9.857 1.00 1.57 C ATOM 0 H LEU A 106 8.099 -10.580 -12.616 1.00 0.43 H new ATOM 0 HA LEU A 106 5.489 -9.318 -13.095 1.00 0.46 H new ATOM 0 HB2 LEU A 106 5.990 -10.333 -10.985 1.00 0.50 H new ATOM 0 HB3 LEU A 106 7.542 -9.526 -10.886 1.00 0.50 H new ATOM 0 HG LEU A 106 5.186 -7.723 -11.025 1.00 0.55 H new ATOM 0 HD11 LEU A 106 4.662 -8.076 -8.610 1.00 1.40 H new ATOM 0 HD12 LEU A 106 4.330 -9.543 -9.562 1.00 1.40 H new ATOM 0 HD13 LEU A 106 5.803 -9.441 -8.569 1.00 1.40 H new ATOM 0 HD21 LEU A 106 6.486 -6.540 -9.271 1.00 1.57 H new ATOM 0 HD22 LEU A 106 7.647 -7.888 -9.228 1.00 1.57 H new ATOM 0 HD23 LEU A 106 7.493 -6.893 -10.695 1.00 1.57 H new ATOM 1760 N TRP A 107 8.234 -7.595 -13.462 1.00 0.61 N ATOM 1761 CA TRP A 107 8.779 -6.403 -14.126 1.00 0.84 C ATOM 1762 C TRP A 107 8.207 -6.257 -15.534 1.00 0.79 C ATOM 1763 O TRP A 107 7.714 -5.188 -15.885 1.00 0.81 O ATOM 1764 CB TRP A 107 10.317 -6.517 -14.178 1.00 1.16 C ATOM 1765 CG TRP A 107 11.118 -5.324 -14.613 1.00 1.36 C ATOM 1766 CD1 TRP A 107 11.900 -4.606 -13.783 1.00 0.69 C ATOM 1767 CD2 TRP A 107 11.379 -4.785 -15.953 1.00 3.02 C ATOM 1768 NE1 TRP A 107 12.573 -3.626 -14.481 1.00 1.12 N ATOM 1769 CE2 TRP A 107 12.329 -3.722 -15.832 1.00 2.60 C ATOM 1770 CE3 TRP A 107 10.966 -5.111 -17.265 1.00 4.96 C ATOM 1771 CZ2 TRP A 107 12.839 -3.032 -16.941 1.00 3.91 C ATOM 1772 CZ3 TRP A 107 11.453 -4.409 -18.385 1.00 6.27 C ATOM 1773 CH2 TRP A 107 12.391 -3.373 -18.227 1.00 5.72 C ATOM 0 H TRP A 107 8.962 -8.241 -13.156 1.00 0.61 H new ATOM 0 HA TRP A 107 8.497 -5.516 -13.560 1.00 0.84 H new ATOM 0 HB2 TRP A 107 10.660 -6.800 -13.183 1.00 1.16 H new ATOM 0 HB3 TRP A 107 10.564 -7.342 -14.847 1.00 1.16 H new ATOM 0 HD1 TRP A 107 11.987 -4.775 -12.720 1.00 0.69 H new ATOM 0 HE1 TRP A 107 13.173 -2.922 -14.052 1.00 1.12 H new ATOM 0 HE3 TRP A 107 10.261 -5.916 -17.412 1.00 4.96 H new ATOM 0 HZ2 TRP A 107 13.568 -2.247 -16.807 1.00 3.91 H new ATOM 0 HZ3 TRP A 107 11.103 -4.668 -19.373 1.00 6.27 H new ATOM 0 HH2 TRP A 107 12.765 -2.843 -19.090 1.00 5.72 H new ATOM 1784 N GLU A 108 8.226 -7.341 -16.315 1.00 0.80 N ATOM 1785 CA GLU A 108 7.692 -7.364 -17.676 1.00 0.95 C ATOM 1786 C GLU A 108 6.192 -7.068 -17.685 1.00 0.73 C ATOM 1787 O GLU A 108 5.742 -6.140 -18.361 1.00 0.69 O ATOM 1788 CB GLU A 108 8.022 -8.715 -18.327 1.00 1.19 C ATOM 1789 CG GLU A 108 7.563 -8.811 -19.790 1.00 1.61 C ATOM 1790 CD GLU A 108 6.255 -9.606 -19.960 1.00 3.84 C ATOM 1791 OE1 GLU A 108 6.281 -10.852 -19.813 1.00 5.40 O ATOM 1792 OE2 GLU A 108 5.209 -9.005 -20.291 1.00 4.74 O ATOM 0 H GLU A 108 8.617 -8.234 -16.016 1.00 0.80 H new ATOM 0 HA GLU A 108 8.163 -6.577 -18.264 1.00 0.95 H new ATOM 0 HB2 GLU A 108 9.098 -8.881 -18.279 1.00 1.19 H new ATOM 0 HB3 GLU A 108 7.551 -9.512 -17.752 1.00 1.19 H new ATOM 0 HG2 GLU A 108 7.425 -7.806 -20.188 1.00 1.61 H new ATOM 0 HG3 GLU A 108 8.348 -9.283 -20.381 1.00 1.61 H new ATOM 1799 N ALA A 109 5.426 -7.819 -16.894 1.00 0.62 N ATOM 1800 CA ALA A 109 3.976 -7.694 -16.847 1.00 0.59 C ATOM 1801 C ALA A 109 3.528 -6.316 -16.351 1.00 0.46 C ATOM 1802 O ALA A 109 2.628 -5.709 -16.933 1.00 0.50 O ATOM 1803 CB ALA A 109 3.435 -8.828 -15.985 1.00 0.60 C ATOM 0 H ALA A 109 5.798 -8.532 -16.267 1.00 0.62 H new ATOM 0 HA ALA A 109 3.567 -7.776 -17.854 1.00 0.59 H new ATOM 0 HB1 ALA A 109 2.348 -8.759 -15.932 1.00 0.60 H new ATOM 0 HB2 ALA A 109 3.717 -9.785 -16.424 1.00 0.60 H new ATOM 0 HB3 ALA A 109 3.852 -8.753 -14.981 1.00 0.60 H new ATOM 1809 N ALA A 110 4.170 -5.795 -15.307 1.00 0.36 N ATOM 1810 CA ALA A 110 3.903 -4.459 -14.792 1.00 0.38 C ATOM 1811 C ALA A 110 4.231 -3.388 -15.846 1.00 0.54 C ATOM 1812 O ALA A 110 3.373 -2.561 -16.161 1.00 0.59 O ATOM 1813 CB ALA A 110 4.701 -4.302 -13.488 1.00 0.45 C ATOM 0 H ALA A 110 4.895 -6.295 -14.793 1.00 0.36 H new ATOM 0 HA ALA A 110 2.844 -4.322 -14.572 1.00 0.38 H new ATOM 0 HB1 ALA A 110 4.526 -3.310 -13.071 1.00 0.45 H new ATOM 0 HB2 ALA A 110 4.380 -5.058 -12.772 1.00 0.45 H new ATOM 0 HB3 ALA A 110 5.764 -4.426 -13.695 1.00 0.45 H new ATOM 1819 N ARG A 111 5.416 -3.451 -16.469 1.00 0.65 N ATOM 1820 CA ARG A 111 5.826 -2.495 -17.511 1.00 0.77 C ATOM 1821 C ARG A 111 4.868 -2.519 -18.707 1.00 0.79 C ATOM 1822 O ARG A 111 4.579 -1.457 -19.261 1.00 0.88 O ATOM 1823 CB ARG A 111 7.278 -2.759 -17.960 1.00 0.89 C ATOM 1824 CG ARG A 111 8.317 -2.219 -16.962 1.00 1.51 C ATOM 1825 CD ARG A 111 8.486 -0.699 -17.080 1.00 2.64 C ATOM 1826 NE ARG A 111 9.365 -0.174 -16.022 1.00 4.44 N ATOM 1827 CZ ARG A 111 10.673 0.025 -16.090 1.00 5.43 C ATOM 1828 NH1 ARG A 111 11.372 -0.214 -17.180 1.00 4.97 N ATOM 1829 NH2 ARG A 111 11.298 0.481 -15.030 1.00 7.31 N ATOM 0 H ARG A 111 6.117 -4.164 -16.267 1.00 0.65 H new ATOM 0 HA ARG A 111 5.781 -1.496 -17.077 1.00 0.77 H new ATOM 0 HB2 ARG A 111 7.425 -3.832 -18.086 1.00 0.89 H new ATOM 0 HB3 ARG A 111 7.442 -2.298 -18.934 1.00 0.89 H new ATOM 0 HG2 ARG A 111 8.012 -2.473 -15.947 1.00 1.51 H new ATOM 0 HG3 ARG A 111 9.276 -2.706 -17.137 1.00 1.51 H new ATOM 0 HD2 ARG A 111 8.902 -0.452 -18.057 1.00 2.64 H new ATOM 0 HD3 ARG A 111 7.510 -0.217 -17.018 1.00 2.64 H new ATOM 0 HE ARG A 111 8.916 0.063 -15.137 1.00 4.44 H new ATOM 0 HH11 ARG A 111 10.907 -0.567 -18.017 1.00 4.97 H new ATOM 0 HH12 ARG A 111 12.378 -0.046 -17.188 1.00 4.97 H new ATOM 0 HH21 ARG A 111 10.777 0.675 -14.175 1.00 7.31 H new ATOM 0 HH22 ARG A 111 12.305 0.641 -15.061 1.00 7.31 H new ATOM 1843 N ALA A 112 4.342 -3.692 -19.078 1.00 0.74 N ATOM 1844 CA ALA A 112 3.340 -3.861 -20.134 1.00 0.80 C ATOM 1845 C ALA A 112 1.972 -3.244 -19.784 1.00 0.72 C ATOM 1846 O ALA A 112 1.392 -2.520 -20.574 1.00 0.74 O ATOM 1847 CB ALA A 112 3.206 -5.355 -20.411 1.00 0.82 C ATOM 0 H ALA A 112 4.610 -4.573 -18.639 1.00 0.74 H new ATOM 0 HA ALA A 112 3.678 -3.324 -21.021 1.00 0.80 H new ATOM 0 HB1 ALA A 112 2.465 -5.515 -21.195 1.00 0.82 H new ATOM 0 HB2 ALA A 112 4.168 -5.753 -20.734 1.00 0.82 H new ATOM 0 HB3 ALA A 112 2.889 -5.867 -19.502 1.00 0.82 H new ATOM 1853 N HIS A 113 1.525 -3.444 -18.533 1.00 0.57 N ATOM 1854 CA HIS A 113 0.242 -2.939 -18.048 1.00 0.55 C ATOM 1855 C HIS A 113 0.233 -1.427 -17.748 1.00 0.58 C ATOM 1856 O HIS A 113 -0.838 -0.883 -17.462 1.00 0.58 O ATOM 1857 CB HIS A 113 -0.234 -3.832 -16.882 1.00 0.48 C ATOM 1858 CG HIS A 113 -0.731 -5.159 -17.407 1.00 0.50 C ATOM 1859 ND1 HIS A 113 -0.047 -6.348 -17.410 1.00 0.55 N ATOM 1860 CD2 HIS A 113 -1.930 -5.392 -18.023 1.00 0.51 C ATOM 1861 CE1 HIS A 113 -0.799 -7.274 -18.022 1.00 0.57 C ATOM 1862 NE2 HIS A 113 -1.961 -6.733 -18.422 1.00 0.55 N ATOM 0 H HIS A 113 2.051 -3.964 -17.831 1.00 0.57 H new ATOM 0 HA HIS A 113 -0.491 -3.013 -18.852 1.00 0.55 H new ATOM 0 HB2 HIS A 113 0.585 -3.994 -16.181 1.00 0.48 H new ATOM 0 HB3 HIS A 113 -1.030 -3.330 -16.332 1.00 0.48 H new ATOM 0 HD1 HIS A 113 0.880 -6.502 -17.013 1.00 0.55 H new ATOM 0 HD2 HIS A 113 -2.716 -4.667 -18.175 1.00 0.51 H new ATOM 0 HE1 HIS A 113 -0.512 -8.304 -18.171 1.00 0.57 H new ATOM 1870 N GLY A 114 1.395 -0.772 -17.653 1.00 0.59 N ATOM 1871 CA GLY A 114 1.520 0.671 -17.353 1.00 0.61 C ATOM 1872 C GLY A 114 2.044 0.958 -15.953 1.00 0.64 C ATOM 1873 O GLY A 114 2.093 2.117 -15.576 1.00 0.72 O ATOM 0 H GLY A 114 2.296 -1.232 -17.784 1.00 0.59 H new ATOM 0 HA2 GLY A 114 2.187 1.129 -18.083 1.00 0.61 H new ATOM 0 HA3 GLY A 114 0.545 1.144 -17.471 1.00 0.61 H new ATOM 1877 N LEU A 115 2.464 -0.064 -15.204 1.00 0.64 N ATOM 1878 CA LEU A 115 2.958 0.010 -13.831 1.00 0.68 C ATOM 1879 C LEU A 115 4.486 0.258 -13.840 1.00 0.70 C ATOM 1880 O LEU A 115 5.268 -0.605 -13.438 1.00 1.02 O ATOM 1881 CB LEU A 115 2.573 -1.309 -13.149 1.00 0.79 C ATOM 1882 CG LEU A 115 1.085 -1.618 -12.923 1.00 0.84 C ATOM 1883 CD1 LEU A 115 0.504 -0.744 -11.837 1.00 1.99 C ATOM 1884 CD2 LEU A 115 0.144 -1.585 -14.130 1.00 2.88 C ATOM 0 H LEU A 115 2.468 -1.019 -15.562 1.00 0.64 H new ATOM 0 HA LEU A 115 2.518 0.839 -13.277 1.00 0.68 H new ATOM 0 HB2 LEU A 115 2.993 -2.122 -13.742 1.00 0.79 H new ATOM 0 HB3 LEU A 115 3.067 -1.335 -12.178 1.00 0.79 H new ATOM 0 HG LEU A 115 1.126 -2.670 -12.639 1.00 0.84 H new ATOM 0 HD11 LEU A 115 -0.550 -0.986 -11.700 1.00 1.99 H new ATOM 0 HD12 LEU A 115 1.040 -0.918 -10.904 1.00 1.99 H new ATOM 0 HD13 LEU A 115 0.602 0.304 -12.122 1.00 1.99 H new ATOM 0 HD21 LEU A 115 -0.870 -1.824 -13.808 1.00 2.88 H new ATOM 0 HD22 LEU A 115 0.158 -0.590 -14.575 1.00 2.88 H new ATOM 0 HD23 LEU A 115 0.472 -2.317 -14.868 1.00 2.88 H new ATOM 1896 N ARG A 116 4.943 1.406 -14.367 1.00 0.68 N ATOM 1897 CA ARG A 116 6.370 1.645 -14.699 1.00 0.69 C ATOM 1898 C ARG A 116 7.306 1.635 -13.472 1.00 0.75 C ATOM 1899 O ARG A 116 8.475 1.260 -13.598 1.00 0.80 O ATOM 1900 CB ARG A 116 6.565 2.987 -15.432 1.00 0.68 C ATOM 1901 CG ARG A 116 6.159 3.090 -16.915 1.00 0.85 C ATOM 1902 CD ARG A 116 4.765 2.594 -17.290 1.00 1.58 C ATOM 1903 NE ARG A 116 4.309 3.178 -18.564 1.00 1.87 N ATOM 1904 CZ ARG A 116 4.087 2.587 -19.734 1.00 2.44 C ATOM 1905 NH1 ARG A 116 4.329 1.314 -19.957 1.00 3.17 N ATOM 1906 NH2 ARG A 116 3.594 3.296 -20.725 1.00 2.92 N ATOM 0 H ARG A 116 4.338 2.200 -14.578 1.00 0.68 H new ATOM 0 HA ARG A 116 6.641 0.810 -15.344 1.00 0.69 H new ATOM 0 HB2 ARG A 116 6.007 3.746 -14.884 1.00 0.68 H new ATOM 0 HB3 ARG A 116 7.620 3.252 -15.360 1.00 0.68 H new ATOM 0 HG2 ARG A 116 6.239 4.135 -17.216 1.00 0.85 H new ATOM 0 HG3 ARG A 116 6.887 2.532 -17.505 1.00 0.85 H new ATOM 0 HD2 ARG A 116 4.773 1.507 -17.369 1.00 1.58 H new ATOM 0 HD3 ARG A 116 4.061 2.850 -16.498 1.00 1.58 H new ATOM 0 HE ARG A 116 4.139 4.184 -18.545 1.00 1.87 H new ATOM 0 HH11 ARG A 116 4.706 0.728 -19.212 1.00 3.17 H new ATOM 0 HH12 ARG A 116 4.140 0.912 -20.875 1.00 3.17 H new ATOM 0 HH21 ARG A 116 3.387 4.286 -20.590 1.00 2.92 H new ATOM 0 HH22 ARG A 116 3.418 2.856 -21.629 1.00 2.92 H new ATOM 1920 N ARG A 117 6.809 2.088 -12.318 1.00 0.78 N ATOM 1921 CA ARG A 117 7.537 2.375 -11.069 1.00 0.55 C ATOM 1922 C ARG A 117 6.534 2.405 -9.901 1.00 0.54 C ATOM 1923 O ARG A 117 5.323 2.396 -10.129 1.00 0.79 O ATOM 1924 CB ARG A 117 8.248 3.735 -11.201 1.00 0.84 C ATOM 1925 CG ARG A 117 9.704 3.761 -10.715 1.00 0.88 C ATOM 1926 CD ARG A 117 10.734 3.098 -11.641 1.00 0.55 C ATOM 1927 NE ARG A 117 10.982 1.668 -11.367 1.00 1.76 N ATOM 1928 CZ ARG A 117 12.043 0.983 -11.789 1.00 2.31 C ATOM 1929 NH1 ARG A 117 13.032 1.552 -12.447 1.00 1.87 N ATOM 1930 NH2 ARG A 117 12.122 -0.312 -11.587 1.00 3.98 N ATOM 0 H ARG A 117 5.812 2.280 -12.220 1.00 0.78 H new ATOM 0 HA ARG A 117 8.283 1.603 -10.879 1.00 0.55 H new ATOM 0 HB2 ARG A 117 8.226 4.039 -12.248 1.00 0.84 H new ATOM 0 HB3 ARG A 117 7.681 4.479 -10.641 1.00 0.84 H new ATOM 0 HG2 ARG A 117 9.997 4.800 -10.563 1.00 0.88 H new ATOM 0 HG3 ARG A 117 9.751 3.271 -9.742 1.00 0.88 H new ATOM 0 HD2 ARG A 117 10.396 3.203 -12.672 1.00 0.55 H new ATOM 0 HD3 ARG A 117 11.677 3.638 -11.559 1.00 0.55 H new ATOM 0 HE ARG A 117 10.288 1.167 -10.812 1.00 1.76 H new ATOM 0 HH11 ARG A 117 13.002 2.551 -12.650 1.00 1.87 H new ATOM 0 HH12 ARG A 117 13.828 0.993 -12.754 1.00 1.87 H new ATOM 0 HH21 ARG A 117 11.368 -0.800 -11.104 1.00 3.98 H new ATOM 0 HH22 ARG A 117 12.938 -0.830 -11.913 1.00 3.98 H new ATOM 1944 N GLY A 118 7.008 2.467 -8.654 1.00 0.42 N ATOM 1945 CA GLY A 118 6.133 2.606 -7.480 1.00 0.44 C ATOM 1946 C GLY A 118 6.831 2.936 -6.164 1.00 0.49 C ATOM 1947 O GLY A 118 8.052 3.076 -6.106 1.00 0.56 O ATOM 0 H GLY A 118 8.001 2.423 -8.427 1.00 0.42 H new ATOM 0 HA2 GLY A 118 5.401 3.387 -7.687 1.00 0.44 H new ATOM 0 HA3 GLY A 118 5.579 1.676 -7.352 1.00 0.44 H new ATOM 1951 N VAL A 119 6.021 3.068 -5.116 1.00 0.49 N ATOM 1952 CA VAL A 119 6.401 3.440 -3.738 1.00 0.55 C ATOM 1953 C VAL A 119 5.560 2.596 -2.762 1.00 0.55 C ATOM 1954 O VAL A 119 4.373 2.399 -3.021 1.00 0.56 O ATOM 1955 CB VAL A 119 6.216 4.968 -3.496 1.00 0.66 C ATOM 1956 CG1 VAL A 119 7.081 5.797 -4.467 1.00 0.85 C ATOM 1957 CG2 VAL A 119 4.763 5.450 -3.656 1.00 0.71 C ATOM 0 H VAL A 119 5.017 2.910 -5.203 1.00 0.49 H new ATOM 0 HA VAL A 119 7.458 3.233 -3.573 1.00 0.55 H new ATOM 0 HB VAL A 119 6.524 5.119 -2.461 1.00 0.66 H new ATOM 0 HG11 VAL A 119 6.930 6.859 -4.273 1.00 0.85 H new ATOM 0 HG12 VAL A 119 8.132 5.548 -4.321 1.00 0.85 H new ATOM 0 HG13 VAL A 119 6.793 5.571 -5.494 1.00 0.85 H new ATOM 0 HG21 VAL A 119 4.713 6.523 -3.472 1.00 0.71 H new ATOM 0 HG22 VAL A 119 4.419 5.239 -4.668 1.00 0.71 H new ATOM 0 HG23 VAL A 119 4.126 4.930 -2.941 1.00 0.71 H new ATOM 1967 N THR A 120 6.153 2.062 -1.680 1.00 0.56 N ATOM 1968 CA THR A 120 5.553 0.983 -0.862 1.00 0.54 C ATOM 1969 C THR A 120 5.780 1.185 0.641 1.00 0.55 C ATOM 1970 O THR A 120 6.805 1.707 1.076 1.00 0.61 O ATOM 1971 CB THR A 120 6.099 -0.362 -1.364 1.00 0.51 C ATOM 1972 OG1 THR A 120 5.575 -0.611 -2.641 1.00 0.49 O ATOM 1973 CG2 THR A 120 5.760 -1.574 -0.510 1.00 0.58 C ATOM 0 H THR A 120 7.067 2.365 -1.343 1.00 0.56 H new ATOM 0 HA THR A 120 4.470 1.001 -0.982 1.00 0.54 H new ATOM 0 HB THR A 120 7.183 -0.250 -1.339 1.00 0.51 H new ATOM 0 HG1 THR A 120 4.695 -1.034 -2.557 1.00 0.49 H new ATOM 0 HG21 THR A 120 6.195 -2.468 -0.957 1.00 0.58 H new ATOM 0 HG22 THR A 120 6.164 -1.437 0.493 1.00 0.58 H new ATOM 0 HG23 THR A 120 4.677 -1.687 -0.453 1.00 0.58 H new ATOM 1981 N GLN A 121 4.811 0.771 1.458 1.00 0.53 N ATOM 1982 CA GLN A 121 4.814 0.931 2.915 1.00 0.52 C ATOM 1983 C GLN A 121 4.109 -0.233 3.637 1.00 0.53 C ATOM 1984 O GLN A 121 3.307 -0.967 3.060 1.00 0.58 O ATOM 1985 CB GLN A 121 4.181 2.293 3.287 1.00 0.56 C ATOM 1986 CG GLN A 121 5.205 3.377 3.676 1.00 1.30 C ATOM 1987 CD GLN A 121 6.019 3.072 4.932 1.00 2.02 C ATOM 1988 OE1 GLN A 121 5.701 2.194 5.712 1.00 2.65 O ATOM 1989 NE2 GLN A 121 7.105 3.775 5.179 1.00 3.01 N ATOM 0 H GLN A 121 3.975 0.300 1.114 1.00 0.53 H new ATOM 0 HA GLN A 121 5.850 0.913 3.255 1.00 0.52 H new ATOM 0 HB2 GLN A 121 3.592 2.651 2.442 1.00 0.56 H new ATOM 0 HB3 GLN A 121 3.490 2.146 4.117 1.00 0.56 H new ATOM 0 HG2 GLN A 121 5.892 3.523 2.842 1.00 1.30 H new ATOM 0 HG3 GLN A 121 4.677 4.319 3.823 1.00 1.30 H new ATOM 0 HE21 GLN A 121 7.390 4.516 4.538 1.00 3.01 H new ATOM 0 HE22 GLN A 121 7.661 3.579 6.011 1.00 3.01 H new ATOM 1998 N TYR A 122 4.422 -0.373 4.927 1.00 0.61 N ATOM 1999 CA TYR A 122 4.048 -1.468 5.835 1.00 0.60 C ATOM 2000 C TYR A 122 3.892 -0.918 7.264 1.00 0.62 C ATOM 2001 O TYR A 122 4.646 -0.035 7.675 1.00 0.70 O ATOM 2002 CB TYR A 122 5.156 -2.544 5.774 1.00 0.66 C ATOM 2003 CG TYR A 122 5.349 -3.435 6.995 1.00 0.65 C ATOM 2004 CD1 TYR A 122 6.068 -2.956 8.111 1.00 1.83 C ATOM 2005 CD2 TYR A 122 4.876 -4.761 7.001 1.00 1.58 C ATOM 2006 CE1 TYR A 122 6.283 -3.779 9.233 1.00 1.82 C ATOM 2007 CE2 TYR A 122 5.119 -5.603 8.103 1.00 1.73 C ATOM 2008 CZ TYR A 122 5.811 -5.109 9.232 1.00 0.91 C ATOM 2009 OH TYR A 122 6.027 -5.910 10.313 1.00 1.11 O ATOM 0 H TYR A 122 4.987 0.329 5.404 1.00 0.61 H new ATOM 0 HA TYR A 122 3.098 -1.911 5.538 1.00 0.60 H new ATOM 0 HB2 TYR A 122 4.951 -3.188 4.919 1.00 0.66 H new ATOM 0 HB3 TYR A 122 6.102 -2.040 5.574 1.00 0.66 H new ATOM 0 HD1 TYR A 122 6.457 -1.949 8.104 1.00 1.83 H new ATOM 0 HD2 TYR A 122 4.322 -5.136 6.153 1.00 1.58 H new ATOM 0 HE1 TYR A 122 6.809 -3.393 10.094 1.00 1.82 H new ATOM 0 HE2 TYR A 122 4.776 -6.627 8.086 1.00 1.73 H new ATOM 0 HH TYR A 122 5.636 -6.794 10.149 1.00 1.11 H new ATOM 2019 N LEU A 123 2.964 -1.472 8.053 1.00 0.62 N ATOM 2020 CA LEU A 123 2.832 -1.174 9.487 1.00 0.66 C ATOM 2021 C LEU A 123 2.291 -2.401 10.241 1.00 0.70 C ATOM 2022 O LEU A 123 1.822 -3.368 9.636 1.00 0.71 O ATOM 2023 CB LEU A 123 1.984 0.114 9.685 1.00 0.73 C ATOM 2024 CG LEU A 123 2.570 1.235 10.578 1.00 1.03 C ATOM 2025 CD1 LEU A 123 2.723 0.810 12.043 1.00 1.53 C ATOM 2026 CD2 LEU A 123 3.903 1.811 10.079 1.00 2.48 C ATOM 0 H LEU A 123 2.277 -2.145 7.713 1.00 0.62 H new ATOM 0 HA LEU A 123 3.810 -0.966 9.920 1.00 0.66 H new ATOM 0 HB2 LEU A 123 1.786 0.539 8.701 1.00 0.73 H new ATOM 0 HB3 LEU A 123 1.022 -0.180 10.105 1.00 0.73 H new ATOM 0 HG LEU A 123 1.824 2.027 10.510 1.00 1.03 H new ATOM 0 HD11 LEU A 123 3.138 1.636 12.620 1.00 1.53 H new ATOM 0 HD12 LEU A 123 1.748 0.539 12.447 1.00 1.53 H new ATOM 0 HD13 LEU A 123 3.392 -0.048 12.105 1.00 1.53 H new ATOM 0 HD21 LEU A 123 4.242 2.590 10.763 1.00 2.48 H new ATOM 0 HD22 LEU A 123 4.649 1.017 10.035 1.00 2.48 H new ATOM 0 HD23 LEU A 123 3.766 2.236 9.085 1.00 2.48 H new ATOM 2038 N MET A 124 2.378 -2.372 11.572 1.00 1.09 N ATOM 2039 CA MET A 124 2.130 -3.511 12.463 1.00 1.08 C ATOM 2040 C MET A 124 1.546 -2.987 13.786 1.00 1.11 C ATOM 2041 O MET A 124 2.144 -2.104 14.407 1.00 1.07 O ATOM 2042 CB MET A 124 3.468 -4.252 12.671 1.00 1.12 C ATOM 2043 CG MET A 124 3.326 -5.764 12.869 1.00 1.22 C ATOM 2044 SD MET A 124 2.344 -6.305 14.293 1.00 1.66 S ATOM 2045 CE MET A 124 0.892 -6.916 13.405 1.00 1.49 C ATOM 0 H MET A 124 2.632 -1.524 12.079 1.00 1.09 H new ATOM 0 HA MET A 124 1.410 -4.210 12.038 1.00 1.08 H new ATOM 0 HB2 MET A 124 4.109 -4.069 11.809 1.00 1.12 H new ATOM 0 HB3 MET A 124 3.973 -3.829 13.540 1.00 1.12 H new ATOM 0 HG2 MET A 124 2.881 -6.186 11.968 1.00 1.22 H new ATOM 0 HG3 MET A 124 4.325 -6.191 12.961 1.00 1.22 H new ATOM 0 HE1 MET A 124 0.185 -7.345 14.115 1.00 1.49 H new ATOM 0 HE2 MET A 124 0.417 -6.091 12.873 1.00 1.49 H new ATOM 0 HE3 MET A 124 1.197 -7.680 12.691 1.00 1.49 H new ATOM 2055 N LEU A 125 0.368 -3.476 14.190 1.00 1.27 N ATOM 2056 CA LEU A 125 -0.418 -2.950 15.320 1.00 1.41 C ATOM 2057 C LEU A 125 -0.635 -4.022 16.411 1.00 1.52 C ATOM 2058 O LEU A 125 -0.687 -5.213 16.080 1.00 1.44 O ATOM 2059 CB LEU A 125 -1.775 -2.439 14.796 1.00 1.64 C ATOM 2060 CG LEU A 125 -1.726 -1.408 13.652 1.00 1.60 C ATOM 2061 CD1 LEU A 125 -3.162 -1.010 13.300 1.00 2.21 C ATOM 2062 CD2 LEU A 125 -0.941 -0.133 13.995 1.00 2.68 C ATOM 0 H LEU A 125 -0.080 -4.269 13.730 1.00 1.27 H new ATOM 0 HA LEU A 125 0.137 -2.130 15.776 1.00 1.41 H new ATOM 0 HB2 LEU A 125 -2.355 -3.297 14.457 1.00 1.64 H new ATOM 0 HB3 LEU A 125 -2.318 -1.997 15.631 1.00 1.64 H new ATOM 0 HG LEU A 125 -1.207 -1.884 12.820 1.00 1.60 H new ATOM 0 HD11 LEU A 125 -3.149 -0.280 12.491 1.00 2.21 H new ATOM 0 HD12 LEU A 125 -3.717 -1.893 12.983 1.00 2.21 H new ATOM 0 HD13 LEU A 125 -3.644 -0.574 14.175 1.00 2.21 H new ATOM 0 HD21 LEU A 125 -0.952 0.543 13.140 1.00 2.68 H new ATOM 0 HD22 LEU A 125 -1.402 0.359 14.852 1.00 2.68 H new ATOM 0 HD23 LEU A 125 0.089 -0.394 14.237 1.00 2.68 H new ATOM 2074 N PRO A 126 -0.791 -3.637 17.698 1.00 1.81 N ATOM 2075 CA PRO A 126 -0.850 -4.580 18.816 1.00 1.96 C ATOM 2076 C PRO A 126 -2.141 -5.415 18.878 1.00 1.90 C ATOM 2077 O PRO A 126 -2.146 -6.448 19.546 1.00 1.98 O ATOM 2078 CB PRO A 126 -0.672 -3.724 20.077 1.00 2.35 C ATOM 2079 CG PRO A 126 -1.221 -2.362 19.664 1.00 2.40 C ATOM 2080 CD PRO A 126 -0.794 -2.267 18.202 1.00 2.06 C ATOM 0 HA PRO A 126 -0.070 -5.333 18.704 1.00 1.96 H new ATOM 0 HB2 PRO A 126 -1.220 -4.138 20.923 1.00 2.35 H new ATOM 0 HB3 PRO A 126 0.375 -3.661 20.375 1.00 2.35 H new ATOM 0 HG2 PRO A 126 -2.304 -2.310 19.775 1.00 2.40 H new ATOM 0 HG3 PRO A 126 -0.800 -1.555 20.264 1.00 2.40 H new ATOM 0 HD2 PRO A 126 -1.483 -1.643 17.633 1.00 2.06 H new ATOM 0 HD3 PRO A 126 0.194 -1.815 18.112 1.00 2.06 H new ATOM 2088 N GLU A 127 -3.221 -5.009 18.195 1.00 1.90 N ATOM 2089 CA GLU A 127 -4.513 -5.708 18.206 1.00 2.01 C ATOM 2090 C GLU A 127 -4.447 -7.142 17.645 1.00 1.81 C ATOM 2091 O GLU A 127 -5.086 -8.016 18.234 1.00 2.63 O ATOM 2092 CB GLU A 127 -5.553 -4.916 17.395 1.00 2.58 C ATOM 2093 CG GLU A 127 -6.102 -3.654 18.081 1.00 2.81 C ATOM 2094 CD GLU A 127 -5.100 -2.493 18.198 1.00 2.73 C ATOM 2095 OE1 GLU A 127 -4.111 -2.447 17.431 1.00 3.34 O ATOM 2096 OE2 GLU A 127 -5.316 -1.610 19.063 1.00 3.25 O ATOM 0 H GLU A 127 -3.221 -4.173 17.611 1.00 1.90 H new ATOM 0 HA GLU A 127 -4.801 -5.778 19.255 1.00 2.01 H new ATOM 0 HB2 GLU A 127 -5.104 -4.626 16.445 1.00 2.58 H new ATOM 0 HB3 GLU A 127 -6.389 -5.577 17.164 1.00 2.58 H new ATOM 0 HG2 GLU A 127 -6.974 -3.307 17.527 1.00 2.81 H new ATOM 0 HG3 GLU A 127 -6.445 -3.921 19.081 1.00 2.81 H new ATOM 2103 N ARG A 128 -3.688 -7.354 16.547 1.00 1.47 N ATOM 2104 CA ARG A 128 -3.306 -8.620 15.863 1.00 1.69 C ATOM 2105 C ARG A 128 -3.082 -8.471 14.351 1.00 1.26 C ATOM 2106 O ARG A 128 -2.131 -9.058 13.828 1.00 2.29 O ATOM 2107 CB ARG A 128 -4.265 -9.808 16.120 1.00 2.70 C ATOM 2108 CG ARG A 128 -3.824 -10.610 17.357 1.00 3.65 C ATOM 2109 CD ARG A 128 -4.986 -11.331 18.053 1.00 4.26 C ATOM 2110 NE ARG A 128 -4.618 -11.685 19.436 1.00 5.25 N ATOM 2111 CZ ARG A 128 -3.852 -12.696 19.833 1.00 5.98 C ATOM 2112 NH1 ARG A 128 -3.433 -13.629 19.002 1.00 6.28 N ATOM 2113 NH2 ARG A 128 -3.485 -12.772 21.094 1.00 6.99 N ATOM 0 H ARG A 128 -3.280 -6.556 16.060 1.00 1.47 H new ATOM 0 HA ARG A 128 -2.351 -8.855 16.333 1.00 1.69 H new ATOM 0 HB2 ARG A 128 -5.280 -9.437 16.265 1.00 2.70 H new ATOM 0 HB3 ARG A 128 -4.285 -10.460 15.247 1.00 2.70 H new ATOM 0 HG2 ARG A 128 -3.075 -11.344 17.059 1.00 3.65 H new ATOM 0 HG3 ARG A 128 -3.345 -9.936 18.067 1.00 3.65 H new ATOM 0 HD2 ARG A 128 -5.869 -10.691 18.057 1.00 4.26 H new ATOM 0 HD3 ARG A 128 -5.248 -12.232 17.498 1.00 4.26 H new ATOM 0 HE ARG A 128 -4.994 -11.086 20.171 1.00 5.25 H new ATOM 0 HH11 ARG A 128 -3.696 -13.590 18.017 1.00 6.28 H new ATOM 0 HH12 ARG A 128 -2.846 -14.390 19.344 1.00 6.28 H new ATOM 0 HH21 ARG A 128 -3.788 -12.059 21.757 1.00 6.99 H new ATOM 0 HH22 ARG A 128 -2.897 -13.544 21.408 1.00 6.99 H new ATOM 2127 N ALA A 129 -3.938 -7.738 13.630 1.00 1.34 N ATOM 2128 CA ALA A 129 -3.845 -7.635 12.167 1.00 1.04 C ATOM 2129 C ALA A 129 -2.675 -6.753 11.699 1.00 0.97 C ATOM 2130 O ALA A 129 -2.123 -5.949 12.456 1.00 1.38 O ATOM 2131 CB ALA A 129 -5.172 -7.153 11.573 1.00 1.51 C ATOM 0 H ALA A 129 -4.706 -7.205 14.037 1.00 1.34 H new ATOM 0 HA ALA A 129 -3.638 -8.638 11.795 1.00 1.04 H new ATOM 0 HB1 ALA A 129 -5.082 -7.084 10.489 1.00 1.51 H new ATOM 0 HB2 ALA A 129 -5.962 -7.860 11.827 1.00 1.51 H new ATOM 0 HB3 ALA A 129 -5.418 -6.172 11.980 1.00 1.51 H new ATOM 2137 N LEU A 130 -2.331 -6.896 10.418 1.00 0.75 N ATOM 2138 CA LEU A 130 -1.202 -6.228 9.766 1.00 0.80 C ATOM 2139 C LEU A 130 -1.556 -5.951 8.300 1.00 0.65 C ATOM 2140 O LEU A 130 -2.299 -6.716 7.684 1.00 0.68 O ATOM 2141 CB LEU A 130 0.078 -7.068 10.019 1.00 1.17 C ATOM 2142 CG LEU A 130 0.915 -7.559 8.821 1.00 0.92 C ATOM 2143 CD1 LEU A 130 1.881 -6.471 8.342 1.00 1.93 C ATOM 2144 CD2 LEU A 130 1.761 -8.765 9.257 1.00 1.64 C ATOM 0 H LEU A 130 -2.850 -7.502 9.782 1.00 0.75 H new ATOM 0 HA LEU A 130 -0.989 -5.245 10.185 1.00 0.80 H new ATOM 0 HB2 LEU A 130 0.736 -6.477 10.656 1.00 1.17 H new ATOM 0 HB3 LEU A 130 -0.216 -7.946 10.593 1.00 1.17 H new ATOM 0 HG LEU A 130 0.228 -7.821 8.016 1.00 0.92 H new ATOM 0 HD11 LEU A 130 2.459 -6.844 7.496 1.00 1.93 H new ATOM 0 HD12 LEU A 130 1.315 -5.591 8.035 1.00 1.93 H new ATOM 0 HD13 LEU A 130 2.557 -6.202 9.153 1.00 1.93 H new ATOM 0 HD21 LEU A 130 2.355 -9.117 8.414 1.00 1.64 H new ATOM 0 HD22 LEU A 130 2.424 -8.469 10.070 1.00 1.64 H new ATOM 0 HD23 LEU A 130 1.105 -9.566 9.597 1.00 1.64 H new ATOM 2156 N GLY A 131 -1.056 -4.840 7.757 1.00 0.71 N ATOM 2157 CA GLY A 131 -1.360 -4.384 6.404 1.00 0.64 C ATOM 2158 C GLY A 131 -0.248 -3.573 5.745 1.00 0.67 C ATOM 2159 O GLY A 131 0.714 -3.135 6.382 1.00 0.76 O ATOM 0 H GLY A 131 -0.417 -4.222 8.256 1.00 0.71 H new ATOM 0 HA2 GLY A 131 -1.577 -5.252 5.782 1.00 0.64 H new ATOM 0 HA3 GLY A 131 -2.266 -3.778 6.433 1.00 0.64 H new ATOM 2163 N PHE A 132 -0.423 -3.387 4.440 1.00 0.64 N ATOM 2164 CA PHE A 132 0.532 -2.788 3.510 1.00 0.61 C ATOM 2165 C PHE A 132 -0.207 -1.829 2.568 1.00 0.66 C ATOM 2166 O PHE A 132 -1.386 -2.049 2.273 1.00 0.77 O ATOM 2167 CB PHE A 132 1.191 -3.889 2.652 1.00 0.68 C ATOM 2168 CG PHE A 132 1.743 -5.116 3.364 1.00 0.98 C ATOM 2169 CD1 PHE A 132 0.873 -6.122 3.834 1.00 2.19 C ATOM 2170 CD2 PHE A 132 3.134 -5.301 3.476 1.00 2.33 C ATOM 2171 CE1 PHE A 132 1.386 -7.285 4.433 1.00 2.87 C ATOM 2172 CE2 PHE A 132 3.649 -6.479 4.049 1.00 3.01 C ATOM 2173 CZ PHE A 132 2.776 -7.466 4.539 1.00 2.84 C ATOM 0 H PHE A 132 -1.286 -3.667 3.975 1.00 0.64 H new ATOM 0 HA PHE A 132 1.291 -2.254 4.082 1.00 0.61 H new ATOM 0 HB2 PHE A 132 0.456 -4.229 1.923 1.00 0.68 H new ATOM 0 HB3 PHE A 132 2.007 -3.432 2.092 1.00 0.68 H new ATOM 0 HD1 PHE A 132 -0.195 -5.997 3.733 1.00 2.19 H new ATOM 0 HD2 PHE A 132 3.809 -4.536 3.121 1.00 2.33 H new ATOM 0 HE1 PHE A 132 0.713 -8.040 4.812 1.00 2.87 H new ATOM 0 HE2 PHE A 132 4.717 -6.625 4.112 1.00 3.01 H new ATOM 0 HZ PHE A 132 3.172 -8.361 4.996 1.00 2.84 H new ATOM 2183 N LEU A 133 0.496 -0.840 2.009 1.00 0.62 N ATOM 2184 CA LEU A 133 0.027 -0.106 0.829 1.00 0.61 C ATOM 2185 C LEU A 133 1.158 0.128 -0.167 1.00 0.54 C ATOM 2186 O LEU A 133 2.326 0.226 0.206 1.00 0.55 O ATOM 2187 CB LEU A 133 -0.750 1.175 1.212 1.00 0.75 C ATOM 2188 CG LEU A 133 0.027 2.340 1.870 1.00 0.80 C ATOM 2189 CD1 LEU A 133 0.850 3.193 0.885 1.00 1.81 C ATOM 2190 CD2 LEU A 133 -0.984 3.281 2.545 1.00 1.42 C ATOM 0 H LEU A 133 1.401 -0.526 2.359 1.00 0.62 H new ATOM 0 HA LEU A 133 -0.699 -0.732 0.310 1.00 0.61 H new ATOM 0 HB2 LEU A 133 -1.221 1.560 0.308 1.00 0.75 H new ATOM 0 HB3 LEU A 133 -1.552 0.886 1.891 1.00 0.75 H new ATOM 0 HG LEU A 133 0.726 1.879 2.568 1.00 0.80 H new ATOM 0 HD11 LEU A 133 1.362 3.986 1.430 1.00 1.81 H new ATOM 0 HD12 LEU A 133 1.586 2.563 0.385 1.00 1.81 H new ATOM 0 HD13 LEU A 133 0.185 3.634 0.142 1.00 1.81 H new ATOM 0 HD21 LEU A 133 -0.453 4.109 3.015 1.00 1.42 H new ATOM 0 HD22 LEU A 133 -1.674 3.670 1.797 1.00 1.42 H new ATOM 0 HD23 LEU A 133 -1.542 2.732 3.303 1.00 1.42 H new ATOM 2202 N SER A 134 0.798 0.245 -1.438 1.00 0.51 N ATOM 2203 CA SER A 134 1.694 0.679 -2.506 1.00 0.50 C ATOM 2204 C SER A 134 0.953 1.608 -3.470 1.00 0.48 C ATOM 2205 O SER A 134 -0.170 1.313 -3.889 1.00 0.52 O ATOM 2206 CB SER A 134 2.267 -0.515 -3.288 1.00 0.53 C ATOM 2207 OG SER A 134 2.982 -1.410 -2.449 1.00 1.42 O ATOM 0 H SER A 134 -0.146 0.037 -1.764 1.00 0.51 H new ATOM 0 HA SER A 134 2.523 1.212 -2.041 1.00 0.50 H new ATOM 0 HB2 SER A 134 1.454 -1.050 -3.779 1.00 0.53 H new ATOM 0 HB3 SER A 134 2.928 -0.149 -4.074 1.00 0.53 H new ATOM 0 HG SER A 134 3.328 -2.154 -2.984 1.00 1.42 H new ATOM 2213 N PHE A 135 1.585 2.718 -3.858 1.00 0.49 N ATOM 2214 CA PHE A 135 1.166 3.485 -5.027 1.00 0.48 C ATOM 2215 C PHE A 135 2.093 3.133 -6.197 1.00 0.45 C ATOM 2216 O PHE A 135 3.320 3.098 -6.052 1.00 0.45 O ATOM 2217 CB PHE A 135 1.165 4.997 -4.744 1.00 0.53 C ATOM 2218 CG PHE A 135 0.603 5.469 -3.409 1.00 0.61 C ATOM 2219 CD1 PHE A 135 -0.639 4.995 -2.944 1.00 1.71 C ATOM 2220 CD2 PHE A 135 1.299 6.435 -2.654 1.00 2.31 C ATOM 2221 CE1 PHE A 135 -1.181 5.485 -1.741 1.00 1.72 C ATOM 2222 CE2 PHE A 135 0.760 6.920 -1.449 1.00 2.43 C ATOM 2223 CZ PHE A 135 -0.482 6.446 -0.992 1.00 1.01 C ATOM 0 H PHE A 135 2.395 3.106 -3.374 1.00 0.49 H new ATOM 0 HA PHE A 135 0.140 3.222 -5.283 1.00 0.48 H new ATOM 0 HB2 PHE A 135 2.193 5.353 -4.819 1.00 0.53 H new ATOM 0 HB3 PHE A 135 0.599 5.486 -5.537 1.00 0.53 H new ATOM 0 HD1 PHE A 135 -1.178 4.252 -3.513 1.00 1.71 H new ATOM 0 HD2 PHE A 135 2.252 6.805 -3.003 1.00 2.31 H new ATOM 0 HE1 PHE A 135 -2.137 5.121 -1.393 1.00 1.72 H new ATOM 0 HE2 PHE A 135 1.301 7.657 -0.874 1.00 2.43 H new ATOM 0 HZ PHE A 135 -0.898 6.820 -0.068 1.00 1.01 H new ATOM 2233 N SER A 136 1.512 2.903 -7.366 1.00 0.44 N ATOM 2234 CA SER A 136 2.233 2.748 -8.636 1.00 0.38 C ATOM 2235 C SER A 136 2.471 4.126 -9.276 1.00 0.55 C ATOM 2236 O SER A 136 1.941 5.120 -8.786 1.00 0.96 O ATOM 2237 CB SER A 136 1.403 1.864 -9.574 1.00 0.52 C ATOM 2238 OG SER A 136 0.991 0.682 -8.904 1.00 1.95 O ATOM 0 H SER A 136 0.501 2.816 -7.467 1.00 0.44 H new ATOM 0 HA SER A 136 3.201 2.279 -8.456 1.00 0.38 H new ATOM 0 HB2 SER A 136 0.530 2.414 -9.925 1.00 0.52 H new ATOM 0 HB3 SER A 136 1.991 1.605 -10.454 1.00 0.52 H new ATOM 0 HG SER A 136 0.127 0.837 -8.469 1.00 1.95 H new ATOM 2244 N ARG A 137 3.219 4.210 -10.383 1.00 0.48 N ATOM 2245 CA ARG A 137 3.289 5.401 -11.246 1.00 0.55 C ATOM 2246 C ARG A 137 3.946 5.148 -12.612 1.00 0.60 C ATOM 2247 O ARG A 137 4.924 4.403 -12.711 1.00 0.62 O ATOM 2248 CB ARG A 137 3.902 6.630 -10.547 1.00 0.58 C ATOM 2249 CG ARG A 137 5.310 6.408 -9.959 1.00 1.78 C ATOM 2250 CD ARG A 137 5.312 6.232 -8.431 1.00 2.70 C ATOM 2251 NE ARG A 137 5.106 7.513 -7.728 1.00 3.23 N ATOM 2252 CZ ARG A 137 6.049 8.333 -7.270 1.00 3.87 C ATOM 2253 NH1 ARG A 137 7.334 8.065 -7.388 1.00 4.37 N ATOM 2254 NH2 ARG A 137 5.709 9.455 -6.677 1.00 4.83 N ATOM 0 H ARG A 137 3.803 3.441 -10.712 1.00 0.48 H new ATOM 0 HA ARG A 137 2.244 5.637 -11.449 1.00 0.55 H new ATOM 0 HB2 ARG A 137 3.948 7.451 -11.262 1.00 0.58 H new ATOM 0 HB3 ARG A 137 3.234 6.944 -9.745 1.00 0.58 H new ATOM 0 HG2 ARG A 137 5.753 5.525 -10.420 1.00 1.78 H new ATOM 0 HG3 ARG A 137 5.943 7.256 -10.221 1.00 1.78 H new ATOM 0 HD2 ARG A 137 4.527 5.531 -8.146 1.00 2.70 H new ATOM 0 HD3 ARG A 137 6.260 5.794 -8.117 1.00 2.70 H new ATOM 0 HE ARG A 137 4.139 7.800 -7.577 1.00 3.23 H new ATOM 0 HH11 ARG A 137 7.636 7.204 -7.843 1.00 4.37 H new ATOM 0 HH12 ARG A 137 8.027 8.719 -7.024 1.00 4.37 H new ATOM 0 HH21 ARG A 137 4.724 9.696 -6.568 1.00 4.83 H new ATOM 0 HH22 ARG A 137 6.430 10.085 -6.325 1.00 4.83 H new ATOM 2268 N CYS A 138 3.445 5.825 -13.658 1.00 0.68 N ATOM 2269 CA CYS A 138 4.022 5.821 -15.016 1.00 0.80 C ATOM 2270 C CYS A 138 5.331 6.626 -15.103 1.00 0.81 C ATOM 2271 O CYS A 138 6.102 6.445 -16.043 1.00 0.95 O ATOM 2272 CB CYS A 138 2.995 6.340 -16.039 1.00 1.00 C ATOM 2273 SG CYS A 138 2.202 5.000 -16.963 1.00 3.06 S ATOM 0 H CYS A 138 2.609 6.404 -13.583 1.00 0.68 H new ATOM 0 HA CYS A 138 4.271 4.787 -15.255 1.00 0.80 H new ATOM 0 HB2 CYS A 138 2.232 6.921 -15.521 1.00 1.00 H new ATOM 0 HB3 CYS A 138 3.491 7.015 -16.737 1.00 1.00 H new ATOM 0 HG CYS A 138 2.208 3.916 -16.246 1.00 3.06 H new ATOM 2279 N SER A 139 5.614 7.492 -14.133 1.00 0.73 N ATOM 2280 CA SER A 139 6.919 8.129 -13.963 1.00 0.78 C ATOM 2281 C SER A 139 7.975 7.080 -13.563 1.00 0.75 C ATOM 2282 O SER A 139 8.164 6.757 -12.391 1.00 0.93 O ATOM 2283 CB SER A 139 6.835 9.307 -12.967 1.00 0.83 C ATOM 2284 OG SER A 139 5.700 9.235 -12.106 1.00 1.59 O ATOM 0 H SER A 139 4.931 7.776 -13.430 1.00 0.73 H new ATOM 0 HA SER A 139 7.235 8.556 -14.915 1.00 0.78 H new ATOM 0 HB2 SER A 139 7.741 9.328 -12.362 1.00 0.83 H new ATOM 0 HB3 SER A 139 6.802 10.243 -13.524 1.00 0.83 H new ATOM 0 HG SER A 139 4.910 9.574 -12.577 1.00 1.59 H new ATOM 2290 N ALA A 140 8.710 6.570 -14.560 1.00 0.75 N ATOM 2291 CA ALA A 140 9.753 5.537 -14.445 1.00 0.81 C ATOM 2292 C ALA A 140 11.062 6.038 -13.794 1.00 0.80 C ATOM 2293 O ALA A 140 12.089 5.356 -13.821 1.00 0.92 O ATOM 2294 CB ALA A 140 10.011 4.998 -15.862 1.00 1.01 C ATOM 0 H ALA A 140 8.587 6.883 -15.523 1.00 0.75 H new ATOM 0 HA ALA A 140 9.398 4.754 -13.775 1.00 0.81 H new ATOM 0 HB1 ALA A 140 10.780 4.227 -15.823 1.00 1.01 H new ATOM 0 HB2 ALA A 140 9.091 4.573 -16.263 1.00 1.01 H new ATOM 0 HB3 ALA A 140 10.345 5.812 -16.506 1.00 1.01 H new ATOM 2300 N ARG A 141 11.018 7.256 -13.254 1.00 0.79 N ATOM 2301 CA ARG A 141 12.137 8.058 -12.778 1.00 0.89 C ATOM 2302 C ARG A 141 12.754 7.489 -11.488 1.00 0.86 C ATOM 2303 O ARG A 141 12.135 6.703 -10.766 1.00 0.95 O ATOM 2304 CB ARG A 141 11.629 9.503 -12.587 1.00 1.02 C ATOM 2305 CG ARG A 141 11.680 10.373 -13.858 1.00 1.43 C ATOM 2306 CD ARG A 141 10.828 9.882 -15.039 1.00 1.62 C ATOM 2307 NE ARG A 141 10.853 10.863 -16.139 1.00 2.54 N ATOM 2308 CZ ARG A 141 10.008 10.952 -17.163 1.00 3.18 C ATOM 2309 NH1 ARG A 141 9.047 10.074 -17.365 1.00 3.68 N ATOM 2310 NH2 ARG A 141 10.123 11.947 -18.014 1.00 3.94 N ATOM 0 H ARG A 141 10.130 7.741 -13.130 1.00 0.79 H new ATOM 0 HA ARG A 141 12.942 8.040 -13.512 1.00 0.89 H new ATOM 0 HB2 ARG A 141 10.601 9.468 -12.227 1.00 1.02 H new ATOM 0 HB3 ARG A 141 12.223 9.983 -11.809 1.00 1.02 H new ATOM 0 HG2 ARG A 141 11.360 11.382 -13.598 1.00 1.43 H new ATOM 0 HG3 ARG A 141 12.717 10.443 -14.187 1.00 1.43 H new ATOM 0 HD2 ARG A 141 11.205 8.922 -15.392 1.00 1.62 H new ATOM 0 HD3 ARG A 141 9.801 9.721 -14.711 1.00 1.62 H new ATOM 0 HE ARG A 141 11.604 11.553 -16.112 1.00 2.54 H new ATOM 0 HH11 ARG A 141 8.930 9.290 -16.724 1.00 3.68 H new ATOM 0 HH12 ARG A 141 8.420 10.179 -18.163 1.00 3.68 H new ATOM 0 HH21 ARG A 141 10.856 12.644 -17.887 1.00 3.94 H new ATOM 0 HH22 ARG A 141 9.479 12.022 -18.801 1.00 3.94 H new ATOM 2324 N GLU A 142 13.993 7.897 -11.215 1.00 0.82 N ATOM 2325 CA GLU A 142 14.787 7.450 -10.063 1.00 0.83 C ATOM 2326 C GLU A 142 14.288 8.071 -8.740 1.00 0.85 C ATOM 2327 O GLU A 142 13.635 9.119 -8.731 1.00 0.82 O ATOM 2328 CB GLU A 142 16.273 7.762 -10.326 1.00 0.91 C ATOM 2329 CG GLU A 142 17.221 6.792 -9.608 1.00 1.40 C ATOM 2330 CD GLU A 142 18.685 7.082 -9.977 1.00 2.27 C ATOM 2331 OE1 GLU A 142 19.125 6.684 -11.083 1.00 3.40 O ATOM 2332 OE2 GLU A 142 19.408 7.702 -9.162 1.00 2.91 O ATOM 0 H GLU A 142 14.489 8.566 -11.804 1.00 0.82 H new ATOM 0 HA GLU A 142 14.668 6.373 -9.946 1.00 0.83 H new ATOM 0 HB2 GLU A 142 16.464 7.722 -11.398 1.00 0.91 H new ATOM 0 HB3 GLU A 142 16.489 8.780 -10.002 1.00 0.91 H new ATOM 0 HG2 GLU A 142 17.089 6.880 -8.530 1.00 1.40 H new ATOM 0 HG3 GLU A 142 16.970 5.766 -9.877 1.00 1.40 H new ATOM 2339 N ILE A 143 14.596 7.425 -7.610 1.00 1.00 N ATOM 2340 CA ILE A 143 14.122 7.790 -6.262 1.00 0.94 C ATOM 2341 C ILE A 143 15.286 8.298 -5.371 1.00 1.01 C ATOM 2342 O ILE A 143 16.316 7.615 -5.300 1.00 1.27 O ATOM 2343 CB ILE A 143 13.400 6.558 -5.654 1.00 1.01 C ATOM 2344 CG1 ILE A 143 11.968 6.389 -6.223 1.00 0.98 C ATOM 2345 CG2 ILE A 143 13.366 6.563 -4.124 1.00 1.26 C ATOM 2346 CD1 ILE A 143 10.910 7.330 -5.624 1.00 1.72 C ATOM 0 H ILE A 143 15.203 6.605 -7.604 1.00 1.00 H new ATOM 0 HA ILE A 143 13.417 8.619 -6.322 1.00 0.94 H new ATOM 0 HB ILE A 143 14.000 5.699 -5.955 1.00 1.01 H new ATOM 0 HG12 ILE A 143 12.002 6.546 -7.301 1.00 0.98 H new ATOM 0 HG13 ILE A 143 11.649 5.359 -6.061 1.00 0.98 H new ATOM 0 HG21 ILE A 143 12.846 5.673 -3.769 1.00 1.26 H new ATOM 0 HG22 ILE A 143 14.385 6.567 -3.737 1.00 1.26 H new ATOM 0 HG23 ILE A 143 12.842 7.453 -3.775 1.00 1.26 H new ATOM 0 HD11 ILE A 143 9.943 7.133 -6.088 1.00 1.72 H new ATOM 0 HD12 ILE A 143 10.839 7.160 -4.550 1.00 1.72 H new ATOM 0 HD13 ILE A 143 11.197 8.365 -5.809 1.00 1.72 H new ATOM 2358 N PRO A 144 15.132 9.449 -4.673 1.00 0.89 N ATOM 2359 CA PRO A 144 16.042 9.935 -3.635 1.00 1.03 C ATOM 2360 C PRO A 144 15.613 9.349 -2.272 1.00 0.93 C ATOM 2361 O PRO A 144 15.444 8.140 -2.142 1.00 1.48 O ATOM 2362 CB PRO A 144 15.936 11.463 -3.758 1.00 1.17 C ATOM 2363 CG PRO A 144 14.452 11.675 -4.057 1.00 1.04 C ATOM 2364 CD PRO A 144 14.098 10.456 -4.913 1.00 0.84 C ATOM 0 HA PRO A 144 17.084 9.631 -3.735 1.00 1.03 H new ATOM 0 HB2 PRO A 144 16.240 11.965 -2.839 1.00 1.17 H new ATOM 0 HB3 PRO A 144 16.569 11.850 -4.557 1.00 1.17 H new ATOM 0 HG2 PRO A 144 13.858 11.714 -3.144 1.00 1.04 H new ATOM 0 HG3 PRO A 144 14.277 12.609 -4.592 1.00 1.04 H new ATOM 0 HD2 PRO A 144 13.114 10.070 -4.646 1.00 0.84 H new ATOM 0 HD3 PRO A 144 14.059 10.724 -5.969 1.00 0.84 H new ATOM 2372 N ILE A 145 15.361 10.189 -1.262 1.00 1.20 N ATOM 2373 CA ILE A 145 14.672 9.860 0.005 1.00 1.03 C ATOM 2374 C ILE A 145 13.154 9.678 -0.198 1.00 1.04 C ATOM 2375 O ILE A 145 12.344 10.101 0.619 1.00 1.65 O ATOM 2376 CB ILE A 145 15.077 10.928 1.056 1.00 1.03 C ATOM 2377 CG1 ILE A 145 14.822 10.550 2.542 1.00 1.00 C ATOM 2378 CG2 ILE A 145 14.602 12.348 0.682 1.00 1.16 C ATOM 2379 CD1 ILE A 145 13.562 11.075 3.260 1.00 1.25 C ATOM 0 H ILE A 145 15.644 11.168 -1.302 1.00 1.20 H new ATOM 0 HA ILE A 145 14.988 8.889 0.386 1.00 1.03 H new ATOM 0 HB ILE A 145 16.166 10.945 1.002 1.00 1.03 H new ATOM 0 HG12 ILE A 145 14.801 9.462 2.602 1.00 1.00 H new ATOM 0 HG13 ILE A 145 15.686 10.884 3.116 1.00 1.00 H new ATOM 0 HG21 ILE A 145 14.914 13.051 1.454 1.00 1.16 H new ATOM 0 HG22 ILE A 145 15.040 12.639 -0.273 1.00 1.16 H new ATOM 0 HG23 ILE A 145 13.515 12.358 0.600 1.00 1.16 H new ATOM 0 HD11 ILE A 145 13.550 10.711 4.287 1.00 1.25 H new ATOM 0 HD12 ILE A 145 13.571 12.165 3.261 1.00 1.25 H new ATOM 0 HD13 ILE A 145 12.672 10.720 2.740 1.00 1.25 H new ATOM 2391 N LEU A 146 12.754 9.137 -1.355 1.00 0.89 N ATOM 2392 CA LEU A 146 11.371 8.983 -1.851 1.00 0.92 C ATOM 2393 C LEU A 146 10.832 10.343 -2.343 1.00 0.93 C ATOM 2394 O LEU A 146 10.384 10.468 -3.480 1.00 1.37 O ATOM 2395 CB LEU A 146 10.495 8.331 -0.748 1.00 1.03 C ATOM 2396 CG LEU A 146 9.405 7.365 -1.235 1.00 1.03 C ATOM 2397 CD1 LEU A 146 8.651 6.805 -0.024 1.00 1.49 C ATOM 2398 CD2 LEU A 146 8.416 8.078 -2.149 1.00 2.50 C ATOM 0 H LEU A 146 13.433 8.767 -2.021 1.00 0.89 H new ATOM 0 HA LEU A 146 11.344 8.314 -2.711 1.00 0.92 H new ATOM 0 HB2 LEU A 146 11.150 7.792 -0.063 1.00 1.03 H new ATOM 0 HB3 LEU A 146 10.018 9.126 -0.174 1.00 1.03 H new ATOM 0 HG LEU A 146 9.880 6.559 -1.794 1.00 1.03 H new ATOM 0 HD11 LEU A 146 7.876 6.118 -0.364 1.00 1.49 H new ATOM 0 HD12 LEU A 146 9.348 6.274 0.624 1.00 1.49 H new ATOM 0 HD13 LEU A 146 8.193 7.624 0.530 1.00 1.49 H new ATOM 0 HD21 LEU A 146 7.654 7.373 -2.481 1.00 2.50 H new ATOM 0 HD22 LEU A 146 7.942 8.895 -1.605 1.00 2.50 H new ATOM 0 HD23 LEU A 146 8.944 8.476 -3.016 1.00 2.50 H new ATOM 2410 N SER A 147 10.965 11.340 -1.472 1.00 0.63 N ATOM 2411 CA SER A 147 10.610 12.771 -1.462 1.00 0.65 C ATOM 2412 C SER A 147 10.081 13.060 -0.050 1.00 0.66 C ATOM 2413 O SER A 147 9.174 12.370 0.406 1.00 0.65 O ATOM 2414 CB SER A 147 9.579 13.207 -2.513 1.00 0.66 C ATOM 2415 OG SER A 147 10.108 13.162 -3.829 1.00 1.24 O ATOM 0 H SER A 147 11.412 11.120 -0.582 1.00 0.63 H new ATOM 0 HA SER A 147 11.500 13.343 -1.724 1.00 0.65 H new ATOM 0 HB2 SER A 147 8.704 12.560 -2.452 1.00 0.66 H new ATOM 0 HB3 SER A 147 9.243 14.220 -2.292 1.00 0.66 H new ATOM 0 HG SER A 147 10.357 12.240 -4.050 1.00 1.24 H new ATOM 2421 N ASP A 148 10.649 14.024 0.677 1.00 0.72 N ATOM 2422 CA ASP A 148 10.514 14.125 2.144 1.00 0.80 C ATOM 2423 C ASP A 148 9.056 14.230 2.630 1.00 0.74 C ATOM 2424 O ASP A 148 8.686 13.609 3.627 1.00 0.83 O ATOM 2425 CB ASP A 148 11.297 15.352 2.642 1.00 0.96 C ATOM 2426 CG ASP A 148 12.786 15.332 2.264 1.00 2.55 C ATOM 2427 OD1 ASP A 148 13.100 15.583 1.074 1.00 3.74 O ATOM 2428 OD2 ASP A 148 13.630 15.103 3.161 1.00 3.60 O ATOM 0 H ASP A 148 11.220 14.764 0.269 1.00 0.72 H new ATOM 0 HA ASP A 148 10.916 13.199 2.555 1.00 0.80 H new ATOM 0 HB2 ASP A 148 10.840 16.253 2.234 1.00 0.96 H new ATOM 0 HB3 ASP A 148 11.208 15.413 3.727 1.00 0.96 H new ATOM 2433 N GLU A 149 8.223 14.984 1.905 1.00 0.67 N ATOM 2434 CA GLU A 149 6.799 15.144 2.207 1.00 0.72 C ATOM 2435 C GLU A 149 6.033 13.841 1.938 1.00 0.72 C ATOM 2436 O GLU A 149 5.244 13.416 2.778 1.00 0.95 O ATOM 2437 CB GLU A 149 6.243 16.334 1.404 1.00 0.76 C ATOM 2438 CG GLU A 149 4.839 16.796 1.831 1.00 1.68 C ATOM 2439 CD GLU A 149 3.658 16.038 1.200 1.00 2.35 C ATOM 2440 OE1 GLU A 149 3.819 15.276 0.219 1.00 2.91 O ATOM 2441 OE2 GLU A 149 2.509 16.246 1.650 1.00 3.66 O ATOM 0 H GLU A 149 8.524 15.506 1.082 1.00 0.67 H new ATOM 0 HA GLU A 149 6.667 15.361 3.267 1.00 0.72 H new ATOM 0 HB2 GLU A 149 6.932 17.173 1.500 1.00 0.76 H new ATOM 0 HB3 GLU A 149 6.216 16.062 0.349 1.00 0.76 H new ATOM 0 HG2 GLU A 149 4.764 16.709 2.915 1.00 1.68 H new ATOM 0 HG3 GLU A 149 4.737 17.854 1.589 1.00 1.68 H new ATOM 2448 N LEU A 150 6.317 13.163 0.818 1.00 0.60 N ATOM 2449 CA LEU A 150 5.702 11.888 0.439 1.00 0.56 C ATOM 2450 C LEU A 150 6.160 10.745 1.355 1.00 0.57 C ATOM 2451 O LEU A 150 5.340 9.907 1.706 1.00 0.59 O ATOM 2452 CB LEU A 150 6.008 11.628 -1.051 1.00 0.59 C ATOM 2453 CG LEU A 150 5.530 10.280 -1.629 1.00 0.72 C ATOM 2454 CD1 LEU A 150 4.018 10.047 -1.528 1.00 1.48 C ATOM 2455 CD2 LEU A 150 5.936 10.203 -3.110 1.00 1.93 C ATOM 0 H LEU A 150 6.998 13.496 0.135 1.00 0.60 H new ATOM 0 HA LEU A 150 4.621 11.939 0.569 1.00 0.56 H new ATOM 0 HB2 LEU A 150 5.557 12.429 -1.636 1.00 0.59 H new ATOM 0 HB3 LEU A 150 7.086 11.697 -1.195 1.00 0.59 H new ATOM 0 HG LEU A 150 6.005 9.506 -1.027 1.00 0.72 H new ATOM 0 HD11 LEU A 150 3.770 9.076 -1.958 1.00 1.48 H new ATOM 0 HD12 LEU A 150 3.716 10.068 -0.481 1.00 1.48 H new ATOM 0 HD13 LEU A 150 3.492 10.830 -2.073 1.00 1.48 H new ATOM 0 HD21 LEU A 150 5.603 9.254 -3.530 1.00 1.93 H new ATOM 0 HD22 LEU A 150 5.473 11.024 -3.657 1.00 1.93 H new ATOM 0 HD23 LEU A 150 7.020 10.277 -3.194 1.00 1.93 H new ATOM 2467 N GLN A 151 7.421 10.725 1.790 1.00 0.60 N ATOM 2468 CA GLN A 151 7.961 9.750 2.743 1.00 0.68 C ATOM 2469 C GLN A 151 7.191 9.787 4.072 1.00 0.66 C ATOM 2470 O GLN A 151 6.707 8.760 4.556 1.00 0.67 O ATOM 2471 CB GLN A 151 9.466 10.028 2.929 1.00 0.83 C ATOM 2472 CG GLN A 151 10.155 9.297 4.097 1.00 1.14 C ATOM 2473 CD GLN A 151 10.177 7.763 4.009 1.00 2.33 C ATOM 2474 OE1 GLN A 151 9.286 7.104 3.492 1.00 2.92 O ATOM 2475 NE2 GLN A 151 11.207 7.122 4.523 1.00 3.50 N ATOM 0 H GLN A 151 8.115 11.405 1.481 1.00 0.60 H new ATOM 0 HA GLN A 151 7.837 8.740 2.353 1.00 0.68 H new ATOM 0 HB2 GLN A 151 9.980 9.760 2.006 1.00 0.83 H new ATOM 0 HB3 GLN A 151 9.601 11.100 3.069 1.00 0.83 H new ATOM 0 HG2 GLN A 151 11.183 9.652 4.167 1.00 1.14 H new ATOM 0 HG3 GLN A 151 9.656 9.581 5.023 1.00 1.14 H new ATOM 0 HE21 GLN A 151 11.966 7.644 4.961 1.00 3.50 H new ATOM 0 HE22 GLN A 151 11.246 6.104 4.483 1.00 3.50 H new ATOM 2484 N LEU A 152 7.043 10.982 4.650 1.00 0.68 N ATOM 2485 CA LEU A 152 6.371 11.163 5.937 1.00 0.76 C ATOM 2486 C LEU A 152 4.860 10.966 5.786 1.00 0.73 C ATOM 2487 O LEU A 152 4.247 10.258 6.586 1.00 0.76 O ATOM 2488 CB LEU A 152 6.731 12.548 6.509 1.00 0.83 C ATOM 2489 CG LEU A 152 8.223 12.709 6.880 1.00 0.89 C ATOM 2490 CD1 LEU A 152 8.499 14.165 7.278 1.00 0.97 C ATOM 2491 CD2 LEU A 152 8.647 11.777 8.026 1.00 1.08 C ATOM 0 H LEU A 152 7.386 11.850 4.238 1.00 0.68 H new ATOM 0 HA LEU A 152 6.714 10.409 6.645 1.00 0.76 H new ATOM 0 HB2 LEU A 152 6.465 13.311 5.778 1.00 0.83 H new ATOM 0 HB3 LEU A 152 6.125 12.731 7.396 1.00 0.83 H new ATOM 0 HG LEU A 152 8.808 12.435 6.002 1.00 0.89 H new ATOM 0 HD11 LEU A 152 9.551 14.278 7.539 1.00 0.97 H new ATOM 0 HD12 LEU A 152 8.261 14.822 6.442 1.00 0.97 H new ATOM 0 HD13 LEU A 152 7.882 14.431 8.136 1.00 0.97 H new ATOM 0 HD21 LEU A 152 9.703 11.930 8.247 1.00 1.08 H new ATOM 0 HD22 LEU A 152 8.054 11.999 8.914 1.00 1.08 H new ATOM 0 HD23 LEU A 152 8.484 10.740 7.731 1.00 1.08 H new ATOM 2503 N LYS A 153 4.262 11.520 4.726 1.00 0.70 N ATOM 2504 CA LYS A 153 2.846 11.332 4.407 1.00 0.69 C ATOM 2505 C LYS A 153 2.498 9.866 4.129 1.00 0.58 C ATOM 2506 O LYS A 153 1.434 9.436 4.550 1.00 0.55 O ATOM 2507 CB LYS A 153 2.423 12.264 3.261 1.00 0.81 C ATOM 2508 CG LYS A 153 0.895 12.282 3.067 1.00 1.09 C ATOM 2509 CD LYS A 153 0.463 13.367 2.073 1.00 1.50 C ATOM 2510 CE LYS A 153 0.870 13.017 0.634 1.00 2.62 C ATOM 2511 NZ LYS A 153 1.205 14.230 -0.152 1.00 3.11 N ATOM 0 H LYS A 153 4.753 12.117 4.060 1.00 0.70 H new ATOM 0 HA LYS A 153 2.268 11.608 5.289 1.00 0.69 H new ATOM 0 HB2 LYS A 153 2.774 13.275 3.467 1.00 0.81 H new ATOM 0 HB3 LYS A 153 2.902 11.942 2.336 1.00 0.81 H new ATOM 0 HG2 LYS A 153 0.562 11.308 2.710 1.00 1.09 H new ATOM 0 HG3 LYS A 153 0.408 12.453 4.027 1.00 1.09 H new ATOM 0 HD2 LYS A 153 -0.618 13.497 2.124 1.00 1.50 H new ATOM 0 HD3 LYS A 153 0.912 14.319 2.356 1.00 1.50 H new ATOM 0 HE2 LYS A 153 1.729 12.346 0.652 1.00 2.62 H new ATOM 0 HE3 LYS A 153 0.056 12.480 0.146 1.00 2.62 H new ATOM 0 HZ1 LYS A 153 0.997 14.061 -1.157 1.00 3.11 H new ATOM 0 HZ2 LYS A 153 0.637 15.032 0.189 1.00 3.11 H new ATOM 0 HZ3 LYS A 153 2.216 14.448 -0.040 1.00 3.11 H new ATOM 2525 N MET A 154 3.365 9.073 3.490 1.00 0.54 N ATOM 2526 CA MET A 154 3.153 7.626 3.307 1.00 0.48 C ATOM 2527 C MET A 154 3.156 6.859 4.629 1.00 0.47 C ATOM 2528 O MET A 154 2.285 6.010 4.830 1.00 0.49 O ATOM 2529 CB MET A 154 4.187 7.021 2.349 1.00 0.47 C ATOM 2530 CG MET A 154 3.781 7.223 0.889 1.00 1.48 C ATOM 2531 SD MET A 154 5.004 6.661 -0.321 1.00 2.33 S ATOM 2532 CE MET A 154 5.109 4.908 0.117 1.00 1.37 C ATOM 0 H MET A 154 4.236 9.413 3.083 1.00 0.54 H new ATOM 0 HA MET A 154 2.162 7.523 2.866 1.00 0.48 H new ATOM 0 HB2 MET A 154 5.160 7.480 2.524 1.00 0.47 H new ATOM 0 HB3 MET A 154 4.296 5.956 2.554 1.00 0.47 H new ATOM 0 HG2 MET A 154 2.844 6.695 0.710 1.00 1.48 H new ATOM 0 HG3 MET A 154 3.587 8.283 0.723 1.00 1.48 H new ATOM 0 HE1 MET A 154 6.047 4.719 0.639 1.00 1.37 H new ATOM 0 HE2 MET A 154 4.273 4.644 0.765 1.00 1.37 H new ATOM 0 HE3 MET A 154 5.070 4.304 -0.789 1.00 1.37 H new ATOM 2542 N GLN A 155 4.097 7.145 5.535 1.00 0.51 N ATOM 2543 CA GLN A 155 4.118 6.481 6.844 1.00 0.58 C ATOM 2544 C GLN A 155 2.866 6.844 7.666 1.00 0.56 C ATOM 2545 O GLN A 155 2.253 5.973 8.278 1.00 0.60 O ATOM 2546 CB GLN A 155 5.422 6.789 7.598 1.00 0.75 C ATOM 2547 CG GLN A 155 5.650 5.757 8.719 1.00 1.09 C ATOM 2548 CD GLN A 155 6.800 6.141 9.651 1.00 1.63 C ATOM 2549 OE1 GLN A 155 6.619 6.829 10.648 1.00 1.80 O ATOM 2550 NE2 GLN A 155 8.019 5.720 9.377 1.00 2.88 N ATOM 0 H GLN A 155 4.845 7.823 5.390 1.00 0.51 H new ATOM 0 HA GLN A 155 4.092 5.403 6.684 1.00 0.58 H new ATOM 0 HB2 GLN A 155 6.263 6.774 6.905 1.00 0.75 H new ATOM 0 HB3 GLN A 155 5.376 7.792 8.022 1.00 0.75 H new ATOM 0 HG2 GLN A 155 4.735 5.652 9.302 1.00 1.09 H new ATOM 0 HG3 GLN A 155 5.858 4.784 8.274 1.00 1.09 H new ATOM 0 HE21 GLN A 155 8.187 5.146 8.551 1.00 2.88 H new ATOM 0 HE22 GLN A 155 8.794 5.968 9.991 1.00 2.88 H new ATOM 2559 N LEU A 156 2.440 8.110 7.610 1.00 0.59 N ATOM 2560 CA LEU A 156 1.174 8.612 8.157 1.00 0.63 C ATOM 2561 C LEU A 156 -0.027 7.872 7.542 1.00 0.54 C ATOM 2562 O LEU A 156 -0.831 7.287 8.271 1.00 0.53 O ATOM 2563 CB LEU A 156 1.202 10.147 7.939 1.00 0.84 C ATOM 2564 CG LEU A 156 -0.050 11.019 8.164 1.00 1.05 C ATOM 2565 CD1 LEU A 156 -0.985 11.074 6.949 1.00 1.59 C ATOM 2566 CD2 LEU A 156 -0.848 10.611 9.394 1.00 1.62 C ATOM 0 H LEU A 156 2.990 8.844 7.164 1.00 0.59 H new ATOM 0 HA LEU A 156 1.057 8.417 9.223 1.00 0.63 H new ATOM 0 HB2 LEU A 156 1.984 10.544 8.586 1.00 0.84 H new ATOM 0 HB3 LEU A 156 1.523 10.314 6.911 1.00 0.84 H new ATOM 0 HG LEU A 156 0.353 12.018 8.326 1.00 1.05 H new ATOM 0 HD11 LEU A 156 -1.844 11.705 7.179 1.00 1.59 H new ATOM 0 HD12 LEU A 156 -0.449 11.489 6.096 1.00 1.59 H new ATOM 0 HD13 LEU A 156 -1.328 10.068 6.708 1.00 1.59 H new ATOM 0 HD21 LEU A 156 -1.716 11.262 9.497 1.00 1.62 H new ATOM 0 HD22 LEU A 156 -1.180 9.578 9.286 1.00 1.62 H new ATOM 0 HD23 LEU A 156 -0.220 10.700 10.281 1.00 1.62 H new ATOM 2578 N LEU A 157 -0.104 7.828 6.208 1.00 0.54 N ATOM 2579 CA LEU A 157 -1.152 7.156 5.438 1.00 0.57 C ATOM 2580 C LEU A 157 -1.267 5.686 5.821 1.00 0.52 C ATOM 2581 O LEU A 157 -2.353 5.258 6.199 1.00 0.59 O ATOM 2582 CB LEU A 157 -0.836 7.296 3.925 1.00 0.66 C ATOM 2583 CG LEU A 157 -1.571 8.373 3.092 1.00 0.87 C ATOM 2584 CD1 LEU A 157 -2.864 7.771 2.562 1.00 1.90 C ATOM 2585 CD2 LEU A 157 -1.946 9.674 3.809 1.00 2.10 C ATOM 0 H LEU A 157 0.591 8.278 5.612 1.00 0.54 H new ATOM 0 HA LEU A 157 -2.109 7.627 5.662 1.00 0.57 H new ATOM 0 HB2 LEU A 157 0.234 7.483 3.830 1.00 0.66 H new ATOM 0 HB3 LEU A 157 -1.034 6.331 3.459 1.00 0.66 H new ATOM 0 HG LEU A 157 -0.849 8.656 2.326 1.00 0.87 H new ATOM 0 HD11 LEU A 157 -3.397 8.516 1.971 1.00 1.90 H new ATOM 0 HD12 LEU A 157 -2.634 6.909 1.936 1.00 1.90 H new ATOM 0 HD13 LEU A 157 -3.488 7.456 3.398 1.00 1.90 H new ATOM 0 HD21 LEU A 157 -2.455 10.340 3.112 1.00 2.10 H new ATOM 0 HD22 LEU A 157 -2.608 9.451 4.646 1.00 2.10 H new ATOM 0 HD23 LEU A 157 -1.043 10.158 4.180 1.00 2.10 H new ATOM 2597 N VAL A 158 -0.169 4.927 5.783 1.00 0.46 N ATOM 2598 CA VAL A 158 -0.196 3.498 6.133 1.00 0.48 C ATOM 2599 C VAL A 158 -0.591 3.278 7.593 1.00 0.48 C ATOM 2600 O VAL A 158 -1.394 2.394 7.875 1.00 0.50 O ATOM 2601 CB VAL A 158 1.076 2.724 5.718 1.00 0.58 C ATOM 2602 CG1 VAL A 158 2.257 2.923 6.672 1.00 0.62 C ATOM 2603 CG2 VAL A 158 0.777 1.221 5.580 1.00 0.71 C ATOM 0 H VAL A 158 0.751 5.275 5.514 1.00 0.46 H new ATOM 0 HA VAL A 158 -0.985 3.056 5.525 1.00 0.48 H new ATOM 0 HB VAL A 158 1.371 3.140 4.755 1.00 0.58 H new ATOM 0 HG11 VAL A 158 3.113 2.350 6.316 1.00 0.62 H new ATOM 0 HG12 VAL A 158 2.519 3.980 6.711 1.00 0.62 H new ATOM 0 HG13 VAL A 158 1.981 2.581 7.669 1.00 0.62 H new ATOM 0 HG21 VAL A 158 1.686 0.695 5.287 1.00 0.71 H new ATOM 0 HG22 VAL A 158 0.423 0.831 6.535 1.00 0.71 H new ATOM 0 HG23 VAL A 158 0.010 1.071 4.820 1.00 0.71 H new ATOM 2613 N ARG A 159 -0.065 4.094 8.516 1.00 0.50 N ATOM 2614 CA ARG A 159 -0.358 3.985 9.948 1.00 0.60 C ATOM 2615 C ARG A 159 -1.847 4.166 10.218 1.00 0.62 C ATOM 2616 O ARG A 159 -2.458 3.318 10.864 1.00 0.69 O ATOM 2617 CB ARG A 159 0.505 5.005 10.718 1.00 0.76 C ATOM 2618 CG ARG A 159 0.162 5.189 12.215 1.00 1.13 C ATOM 2619 CD ARG A 159 -0.559 6.514 12.558 1.00 1.27 C ATOM 2620 NE ARG A 159 0.105 7.781 12.166 1.00 3.00 N ATOM 2621 CZ ARG A 159 1.390 8.132 12.079 1.00 4.30 C ATOM 2622 NH1 ARG A 159 2.398 7.290 12.172 1.00 4.99 N ATOM 2623 NH2 ARG A 159 1.688 9.397 11.884 1.00 5.86 N ATOM 0 H ARG A 159 0.579 4.851 8.287 1.00 0.50 H new ATOM 0 HA ARG A 159 -0.104 2.985 10.300 1.00 0.60 H new ATOM 0 HB2 ARG A 159 1.549 4.701 10.639 1.00 0.76 H new ATOM 0 HB3 ARG A 159 0.417 5.972 10.224 1.00 0.76 H new ATOM 0 HG2 ARG A 159 -0.466 4.357 12.534 1.00 1.13 H new ATOM 0 HG3 ARG A 159 1.084 5.133 12.794 1.00 1.13 H new ATOM 0 HD2 ARG A 159 -1.543 6.492 12.089 1.00 1.27 H new ATOM 0 HD3 ARG A 159 -0.720 6.539 13.636 1.00 1.27 H new ATOM 0 HE ARG A 159 -0.544 8.527 11.915 1.00 3.00 H new ATOM 0 HH11 ARG A 159 2.221 6.297 12.320 1.00 4.99 H new ATOM 0 HH12 ARG A 159 3.356 7.631 12.096 1.00 4.99 H new ATOM 0 HH21 ARG A 159 0.944 10.090 11.802 1.00 5.86 H new ATOM 0 HH22 ARG A 159 2.664 9.686 11.815 1.00 5.86 H new ATOM 2637 N GLU A 160 -2.436 5.243 9.708 1.00 0.61 N ATOM 2638 CA GLU A 160 -3.831 5.562 10.007 1.00 0.67 C ATOM 2639 C GLU A 160 -4.807 4.770 9.133 1.00 0.68 C ATOM 2640 O GLU A 160 -5.874 4.414 9.622 1.00 0.76 O ATOM 2641 CB GLU A 160 -4.053 7.075 9.877 1.00 0.84 C ATOM 2642 CG GLU A 160 -4.003 7.778 11.239 1.00 1.54 C ATOM 2643 CD GLU A 160 -3.305 9.138 11.171 1.00 2.04 C ATOM 2644 OE1 GLU A 160 -3.797 10.014 10.426 1.00 2.86 O ATOM 2645 OE2 GLU A 160 -2.283 9.308 11.881 1.00 3.37 O ATOM 0 H GLU A 160 -1.973 5.908 9.088 1.00 0.61 H new ATOM 0 HA GLU A 160 -4.037 5.263 11.035 1.00 0.67 H new ATOM 0 HB2 GLU A 160 -3.292 7.499 9.221 1.00 0.84 H new ATOM 0 HB3 GLU A 160 -5.019 7.261 9.407 1.00 0.84 H new ATOM 0 HG2 GLU A 160 -5.018 7.913 11.612 1.00 1.54 H new ATOM 0 HG3 GLU A 160 -3.482 7.141 11.954 1.00 1.54 H new ATOM 2652 N SER A 161 -4.447 4.401 7.901 1.00 0.65 N ATOM 2653 CA SER A 161 -5.245 3.455 7.113 1.00 0.67 C ATOM 2654 C SER A 161 -5.337 2.097 7.810 1.00 0.67 C ATOM 2655 O SER A 161 -6.442 1.620 8.072 1.00 0.79 O ATOM 2656 CB SER A 161 -4.622 3.256 5.726 1.00 0.66 C ATOM 2657 OG SER A 161 -5.212 2.157 5.048 1.00 0.96 O ATOM 0 H SER A 161 -3.610 4.741 7.427 1.00 0.65 H new ATOM 0 HA SER A 161 -6.246 3.875 7.014 1.00 0.67 H new ATOM 0 HB2 SER A 161 -4.750 4.162 5.134 1.00 0.66 H new ATOM 0 HB3 SER A 161 -3.549 3.090 5.827 1.00 0.66 H new ATOM 0 HG SER A 161 -4.613 1.853 4.335 1.00 0.96 H new ATOM 2663 N LEU A 162 -4.199 1.497 8.188 1.00 0.59 N ATOM 2664 CA LEU A 162 -4.187 0.178 8.819 1.00 0.62 C ATOM 2665 C LEU A 162 -4.935 0.248 10.153 1.00 0.69 C ATOM 2666 O LEU A 162 -5.761 -0.610 10.436 1.00 0.81 O ATOM 2667 CB LEU A 162 -2.730 -0.290 8.981 1.00 0.71 C ATOM 2668 CG LEU A 162 -2.489 -1.812 9.023 1.00 1.19 C ATOM 2669 CD1 LEU A 162 -1.063 -2.029 9.539 1.00 1.63 C ATOM 2670 CD2 LEU A 162 -3.474 -2.648 9.849 1.00 2.76 C ATOM 0 H LEU A 162 -3.274 1.910 8.065 1.00 0.59 H new ATOM 0 HA LEU A 162 -4.700 -0.556 8.198 1.00 0.62 H new ATOM 0 HB2 LEU A 162 -2.147 0.124 8.158 1.00 0.71 H new ATOM 0 HB3 LEU A 162 -2.335 0.142 9.900 1.00 0.71 H new ATOM 0 HG LEU A 162 -2.647 -2.172 8.006 1.00 1.19 H new ATOM 0 HD11 LEU A 162 -0.851 -3.097 9.584 1.00 1.63 H new ATOM 0 HD12 LEU A 162 -0.355 -1.547 8.865 1.00 1.63 H new ATOM 0 HD13 LEU A 162 -0.967 -1.598 10.535 1.00 1.63 H new ATOM 0 HD21 LEU A 162 -3.193 -3.700 9.795 1.00 2.76 H new ATOM 0 HD22 LEU A 162 -3.449 -2.318 10.888 1.00 2.76 H new ATOM 0 HD23 LEU A 162 -4.481 -2.521 9.452 1.00 2.76 H new ATOM 2682 N MET A 163 -4.716 1.306 10.939 1.00 0.73 N ATOM 2683 CA MET A 163 -5.392 1.525 12.217 1.00 0.93 C ATOM 2684 C MET A 163 -6.906 1.671 12.088 1.00 0.94 C ATOM 2685 O MET A 163 -7.646 1.034 12.834 1.00 1.07 O ATOM 2686 CB MET A 163 -4.771 2.756 12.882 1.00 1.12 C ATOM 2687 CG MET A 163 -5.429 3.064 14.224 1.00 1.46 C ATOM 2688 SD MET A 163 -4.662 4.403 15.157 1.00 2.10 S ATOM 2689 CE MET A 163 -5.162 5.761 14.081 1.00 1.35 C ATOM 0 H MET A 163 -4.054 2.044 10.700 1.00 0.73 H new ATOM 0 HA MET A 163 -5.246 0.640 12.836 1.00 0.93 H new ATOM 0 HB2 MET A 163 -3.704 2.591 13.029 1.00 1.12 H new ATOM 0 HB3 MET A 163 -4.872 3.617 12.221 1.00 1.12 H new ATOM 0 HG2 MET A 163 -6.475 3.315 14.050 1.00 1.46 H new ATOM 0 HG3 MET A 163 -5.415 2.161 14.834 1.00 1.46 H new ATOM 0 HE1 MET A 163 -4.281 6.323 13.772 1.00 1.35 H new ATOM 0 HE2 MET A 163 -5.665 5.361 13.200 1.00 1.35 H new ATOM 0 HE3 MET A 163 -5.843 6.420 14.620 1.00 1.35 H new ATOM 2699 N ALA A 164 -7.379 2.493 11.154 1.00 0.84 N ATOM 2700 CA ALA A 164 -8.801 2.745 10.960 1.00 0.89 C ATOM 2701 C ALA A 164 -9.510 1.499 10.415 1.00 0.95 C ATOM 2702 O ALA A 164 -10.592 1.148 10.889 1.00 1.07 O ATOM 2703 CB ALA A 164 -8.950 3.990 10.079 1.00 0.83 C ATOM 0 H ALA A 164 -6.780 3.006 10.507 1.00 0.84 H new ATOM 0 HA ALA A 164 -9.297 2.951 11.909 1.00 0.89 H new ATOM 0 HB1 ALA A 164 -10.008 4.199 9.920 1.00 0.83 H new ATOM 0 HB2 ALA A 164 -8.482 4.842 10.572 1.00 0.83 H new ATOM 0 HB3 ALA A 164 -8.466 3.816 9.118 1.00 0.83 H new ATOM 2709 N LEU A 165 -8.879 0.802 9.463 1.00 0.89 N ATOM 2710 CA LEU A 165 -9.373 -0.458 8.903 1.00 0.99 C ATOM 2711 C LEU A 165 -9.367 -1.558 9.979 1.00 1.10 C ATOM 2712 O LEU A 165 -10.358 -2.267 10.122 1.00 1.22 O ATOM 2713 CB LEU A 165 -8.566 -0.783 7.621 1.00 0.88 C ATOM 2714 CG LEU A 165 -9.362 -1.470 6.492 1.00 1.06 C ATOM 2715 CD1 LEU A 165 -8.597 -1.359 5.161 1.00 2.04 C ATOM 2716 CD2 LEU A 165 -9.670 -2.939 6.800 1.00 2.56 C ATOM 0 H LEU A 165 -7.995 1.105 9.054 1.00 0.89 H new ATOM 0 HA LEU A 165 -10.416 -0.380 8.596 1.00 0.99 H new ATOM 0 HB2 LEU A 165 -8.145 0.144 7.233 1.00 0.88 H new ATOM 0 HB3 LEU A 165 -7.728 -1.424 7.893 1.00 0.88 H new ATOM 0 HG LEU A 165 -10.317 -0.951 6.412 1.00 1.06 H new ATOM 0 HD11 LEU A 165 -9.168 -1.847 4.371 1.00 2.04 H new ATOM 0 HD12 LEU A 165 -8.455 -0.308 4.909 1.00 2.04 H new ATOM 0 HD13 LEU A 165 -7.625 -1.843 5.258 1.00 2.04 H new ATOM 0 HD21 LEU A 165 -10.231 -3.374 5.973 1.00 2.56 H new ATOM 0 HD22 LEU A 165 -8.737 -3.486 6.933 1.00 2.56 H new ATOM 0 HD23 LEU A 165 -10.261 -3.003 7.713 1.00 2.56 H new ATOM 2728 N MET A 166 -8.324 -1.647 10.814 1.00 1.10 N ATOM 2729 CA MET A 166 -8.261 -2.553 11.977 1.00 1.25 C ATOM 2730 C MET A 166 -9.410 -2.291 12.962 1.00 1.34 C ATOM 2731 O MET A 166 -10.096 -3.233 13.358 1.00 1.45 O ATOM 2732 CB MET A 166 -6.887 -2.421 12.665 1.00 1.28 C ATOM 2733 CG MET A 166 -6.711 -3.166 14.001 1.00 2.30 C ATOM 2734 SD MET A 166 -6.273 -4.924 13.940 1.00 2.67 S ATOM 2735 CE MET A 166 -7.791 -5.696 13.335 1.00 1.58 C ATOM 0 H MET A 166 -7.482 -1.082 10.701 1.00 1.10 H new ATOM 0 HA MET A 166 -8.379 -3.578 11.625 1.00 1.25 H new ATOM 0 HB2 MET A 166 -6.124 -2.777 11.973 1.00 1.28 H new ATOM 0 HB3 MET A 166 -6.692 -1.362 12.837 1.00 1.28 H new ATOM 0 HG2 MET A 166 -5.941 -2.649 14.573 1.00 2.30 H new ATOM 0 HG3 MET A 166 -7.641 -3.072 14.561 1.00 2.30 H new ATOM 0 HE1 MET A 166 -7.809 -6.745 13.631 1.00 1.58 H new ATOM 0 HE2 MET A 166 -8.654 -5.184 13.761 1.00 1.58 H new ATOM 0 HE3 MET A 166 -7.827 -5.625 12.248 1.00 1.58 H new ATOM 2745 N ARG A 167 -9.667 -1.021 13.311 1.00 1.30 N ATOM 2746 CA ARG A 167 -10.776 -0.612 14.189 1.00 1.40 C ATOM 2747 C ARG A 167 -12.170 -0.921 13.623 1.00 1.45 C ATOM 2748 O ARG A 167 -13.141 -0.952 14.381 1.00 1.61 O ATOM 2749 CB ARG A 167 -10.654 0.888 14.541 1.00 1.39 C ATOM 2750 CG ARG A 167 -10.129 1.071 15.971 1.00 1.61 C ATOM 2751 CD ARG A 167 -11.222 0.794 17.021 1.00 2.02 C ATOM 2752 NE ARG A 167 -10.681 0.091 18.200 1.00 2.45 N ATOM 2753 CZ ARG A 167 -10.730 -1.219 18.424 1.00 3.45 C ATOM 2754 NH1 ARG A 167 -11.353 -2.041 17.609 1.00 4.13 N ATOM 2755 NH2 ARG A 167 -10.143 -1.726 19.487 1.00 4.43 N ATOM 0 H ARG A 167 -9.102 -0.237 12.986 1.00 1.30 H new ATOM 0 HA ARG A 167 -10.683 -1.215 15.093 1.00 1.40 H new ATOM 0 HB2 ARG A 167 -9.982 1.378 13.837 1.00 1.39 H new ATOM 0 HB3 ARG A 167 -11.627 1.370 14.441 1.00 1.39 H new ATOM 0 HG2 ARG A 167 -9.286 0.400 16.138 1.00 1.61 H new ATOM 0 HG3 ARG A 167 -9.756 2.088 16.094 1.00 1.61 H new ATOM 0 HD2 ARG A 167 -11.673 1.736 17.334 1.00 2.02 H new ATOM 0 HD3 ARG A 167 -12.014 0.195 16.572 1.00 2.02 H new ATOM 0 HE ARG A 167 -10.226 0.664 18.911 1.00 2.45 H new ATOM 0 HH11 ARG A 167 -11.817 -1.679 16.776 1.00 4.13 H new ATOM 0 HH12 ARG A 167 -11.372 -3.041 17.810 1.00 4.13 H new ATOM 0 HH21 ARG A 167 -9.651 -1.114 20.138 1.00 4.43 H new ATOM 0 HH22 ARG A 167 -10.180 -2.731 19.660 1.00 4.43 H new ATOM 2769 N LEU A 168 -12.267 -1.140 12.311 1.00 1.36 N ATOM 2770 CA LEU A 168 -13.479 -1.563 11.609 1.00 1.42 C ATOM 2771 C LEU A 168 -13.596 -3.102 11.573 1.00 1.66 C ATOM 2772 O LEU A 168 -14.681 -3.643 11.787 1.00 2.08 O ATOM 2773 CB LEU A 168 -13.412 -0.935 10.200 1.00 1.26 C ATOM 2774 CG LEU A 168 -14.737 -0.548 9.528 1.00 0.98 C ATOM 2775 CD1 LEU A 168 -15.630 -1.743 9.181 1.00 2.81 C ATOM 2776 CD2 LEU A 168 -15.531 0.500 10.315 1.00 1.94 C ATOM 0 H LEU A 168 -11.471 -1.023 11.684 1.00 1.36 H new ATOM 0 HA LEU A 168 -14.378 -1.223 12.124 1.00 1.42 H new ATOM 0 HB2 LEU A 168 -12.793 -0.040 10.261 1.00 1.26 H new ATOM 0 HB3 LEU A 168 -12.896 -1.636 9.544 1.00 1.26 H new ATOM 0 HG LEU A 168 -14.427 -0.095 8.586 1.00 0.98 H new ATOM 0 HD11 LEU A 168 -16.546 -1.388 8.710 1.00 2.81 H new ATOM 0 HD12 LEU A 168 -15.102 -2.405 8.494 1.00 2.81 H new ATOM 0 HD13 LEU A 168 -15.878 -2.288 10.092 1.00 2.81 H new ATOM 0 HD21 LEU A 168 -16.456 0.729 9.786 1.00 1.94 H new ATOM 0 HD22 LEU A 168 -15.767 0.110 11.305 1.00 1.94 H new ATOM 0 HD23 LEU A 168 -14.936 1.408 10.415 1.00 1.94 H new ATOM 2788 N ASN A 169 -12.489 -3.805 11.314 1.00 1.45 N ATOM 2789 CA ASN A 169 -12.475 -5.243 11.019 1.00 1.45 C ATOM 2790 C ASN A 169 -12.345 -6.151 12.266 1.00 1.50 C ATOM 2791 O ASN A 169 -13.008 -7.186 12.319 1.00 1.58 O ATOM 2792 CB ASN A 169 -11.352 -5.521 9.998 1.00 1.34 C ATOM 2793 CG ASN A 169 -11.773 -6.531 8.934 1.00 1.43 C ATOM 2794 OD1 ASN A 169 -12.001 -6.185 7.781 1.00 1.83 O ATOM 2795 ND2 ASN A 169 -11.902 -7.797 9.280 1.00 1.96 N ATOM 0 H ASN A 169 -11.560 -3.384 11.303 1.00 1.45 H new ATOM 0 HA ASN A 169 -13.448 -5.501 10.601 1.00 1.45 H new ATOM 0 HB2 ASN A 169 -11.064 -4.587 9.515 1.00 1.34 H new ATOM 0 HB3 ASN A 169 -10.472 -5.894 10.522 1.00 1.34 H new ATOM 0 HD21 ASN A 169 -12.192 -8.488 8.588 1.00 1.96 H new ATOM 0 HD22 ASN A 169 -11.712 -8.085 10.240 1.00 1.96 H new