USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 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 101 TYR OH : rot 98:sc= 0.114 USER MOD Set 1.2: A 105 GLN : amide:sc= -0.762 K(o=-0.65,f=-2.3!) USER MOD Set 2.1: A 39 MET CE :methyl -160:sc= 0 (180deg=-0.45) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 TYR OH : rot -86:sc= 0.676 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -1.14 K(o=-2.4,f=-1.1) USER MOD Set 3.3: A 47 ASN : amide:sc= -1.89 K(o=-2.4,f=-1.1) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0212) USER MOD Single : A 10 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.1) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 81:sc= 0.105 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.696 USER MOD Single : A 25 HIS : no HD1:sc= -4.96! C(o=-5!,f=-2.9!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 30 ASN : amide:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 114:sc= 0.35 USER MOD Single : A 36 SER OG : rot -76:sc= 1.22 USER MOD Single : A 42 CYS SG : rot 25:sc= -3.18! USER MOD Single : A 57 GLN : amide:sc= -1.01 K(o=-1,f=-4.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.072) USER MOD Single : A 65 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.55) USER MOD Single : A 66 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.1!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -159:sc= 0.768 USER MOD Single : A 76 THR OG1 : rot 9:sc= 0.476 USER MOD Single : A 77 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-1.3) USER MOD Single : A 80 CYS SG : rot -130:sc= -1.29 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 86 THR OG1 : rot -58:sc= 0.502 USER MOD Single : A 89 MET CE :methyl -160:sc= -2.71! (180deg=-4.48!) USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.0417 (180deg=-0.345) USER MOD Single : A 99 CYS SG : rot 105:sc= -0.132 USER MOD Single : A 102 THR OG1 : rot 78:sc= 0.0241 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 110 CYS SG : rot 46:sc= 1.22 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 114 LYS NZ :NH3+ 141:sc= -1.25 (180deg=-2.59!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -11.858 -9.606 2.137 1.00 0.00 N ATOM 67 CA ILE A 8 -11.288 -8.363 1.634 1.00 0.00 C ATOM 68 C ILE A 8 -9.780 -8.487 1.442 1.00 0.00 C ATOM 69 O ILE A 8 -9.179 -7.747 0.664 1.00 0.00 O ATOM 70 CB ILE A 8 -11.578 -7.185 2.583 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.086 -6.958 2.703 1.00 0.00 C ATOM 72 CG2 ILE A 8 -10.885 -5.924 2.090 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.487 -6.210 3.956 1.00 0.00 C ATOM 0 HA ILE A 8 -11.760 -8.168 0.671 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.186 -7.429 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.432 -6.402 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.593 -7.923 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.100 -5.101 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.809 -6.092 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.249 -5.675 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.570 -6.085 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.172 -6.775 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.009 -5.231 3.964 1.00 0.00 H new ATOM 85 N LYS A 9 -9.175 -9.431 2.155 1.00 0.00 N ATOM 86 CA LYS A 9 -7.737 -9.656 2.063 1.00 0.00 C ATOM 87 C LYS A 9 -7.360 -10.208 0.691 1.00 0.00 C ATOM 88 O LYS A 9 -6.180 -10.332 0.366 1.00 0.00 O ATOM 89 CB LYS A 9 -7.280 -10.624 3.157 1.00 0.00 C ATOM 90 CG LYS A 9 -5.783 -10.592 3.410 1.00 0.00 C ATOM 91 CD LYS A 9 -5.399 -11.469 4.590 1.00 0.00 C ATOM 92 CE LYS A 9 -3.976 -11.991 4.457 1.00 0.00 C ATOM 93 NZ LYS A 9 -3.884 -13.103 3.470 1.00 0.00 N ATOM 0 H LYS A 9 -9.658 -10.053 2.803 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.235 -8.698 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.802 -10.385 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.572 -11.637 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.255 -10.929 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.467 -9.566 3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.494 -10.899 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.091 -12.309 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.318 -11.178 4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.624 -12.337 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.927 -13.510 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.579 -13.838 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.081 -12.738 2.516 1.00 0.00 H new ATOM 107 N GLN A 10 -8.371 -10.536 -0.108 1.00 0.00 N ATOM 108 CA GLN A 10 -8.144 -11.073 -1.444 1.00 0.00 C ATOM 109 C GLN A 10 -8.227 -9.972 -2.495 1.00 0.00 C ATOM 110 O GLN A 10 -7.321 -9.811 -3.313 1.00 0.00 O ATOM 111 CB GLN A 10 -9.164 -12.170 -1.755 1.00 0.00 C ATOM 112 CG GLN A 10 -8.847 -12.954 -3.019 1.00 0.00 C ATOM 113 CD GLN A 10 -7.660 -13.882 -2.849 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.370 -14.341 -1.743 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.966 -14.163 -3.945 1.00 0.00 N ATOM 0 H GLN A 10 -9.354 -10.439 0.147 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.142 -11.500 -1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.212 -12.859 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.151 -11.719 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.721 -13.538 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.645 -12.257 -3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.242 -13.760 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.157 -14.782 -3.892 1.00 0.00 H new ATOM 124 N MET A 11 -9.319 -9.215 -2.468 1.00 0.00 N ATOM 125 CA MET A 11 -9.520 -8.128 -3.418 1.00 0.00 C ATOM 126 C MET A 11 -8.445 -7.058 -3.255 1.00 0.00 C ATOM 127 O MET A 11 -8.194 -6.271 -4.169 1.00 0.00 O ATOM 128 CB MET A 11 -10.906 -7.508 -3.231 1.00 0.00 C ATOM 129 CG MET A 11 -10.938 -6.391 -2.200 1.00 0.00 C ATOM 130 SD MET A 11 -12.539 -5.566 -2.120 1.00 0.00 S ATOM 131 CE MET A 11 -12.144 -3.988 -2.872 1.00 0.00 C ATOM 0 H MET A 11 -10.079 -9.335 -1.798 1.00 0.00 H new ATOM 0 HA MET A 11 -9.448 -8.540 -4.424 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.253 -7.118 -4.188 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.606 -8.288 -2.932 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.695 -6.800 -1.219 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.168 -5.658 -2.440 1.00 0.00 H new ATOM 0 HE1 MET A 11 -13.036 -3.363 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.368 -3.491 -2.289 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.787 -4.149 -3.889 1.00 0.00 H new ATOM 141 N LEU A 12 -7.813 -7.034 -2.087 1.00 0.00 N ATOM 142 CA LEU A 12 -6.764 -6.061 -1.804 1.00 0.00 C ATOM 143 C LEU A 12 -5.469 -6.431 -2.520 1.00 0.00 C ATOM 144 O LEU A 12 -4.853 -5.597 -3.184 1.00 0.00 O ATOM 145 CB LEU A 12 -6.519 -5.969 -0.297 1.00 0.00 C ATOM 146 CG LEU A 12 -7.535 -5.148 0.499 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.224 -5.213 1.987 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.549 -3.705 0.018 1.00 0.00 C ATOM 0 H LEU A 12 -8.009 -7.678 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.095 -5.090 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.500 -6.980 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.530 -5.541 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.525 -5.573 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.957 -4.623 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.266 -6.249 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.226 -4.813 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.278 -3.136 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.559 -3.268 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.820 -3.676 -1.037 1.00 0.00 H new ATOM 160 N LEU A 13 -5.062 -7.688 -2.381 1.00 0.00 N ATOM 161 CA LEU A 13 -3.841 -8.171 -3.017 1.00 0.00 C ATOM 162 C LEU A 13 -3.945 -8.083 -4.536 1.00 0.00 C ATOM 163 O LEU A 13 -3.015 -7.637 -5.207 1.00 0.00 O ATOM 164 CB LEU A 13 -3.560 -9.615 -2.596 1.00 0.00 C ATOM 165 CG LEU A 13 -2.199 -10.180 -3.003 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.119 -9.717 -2.038 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.248 -11.700 -3.061 1.00 0.00 C ATOM 0 H LEU A 13 -5.559 -8.391 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.016 -7.537 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.648 -9.680 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.337 -10.253 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.955 -9.806 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.157 -10.129 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.066 -8.628 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.358 -10.061 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.271 -12.085 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.515 -12.093 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.994 -12.012 -3.792 1.00 0.00 H new ATOM 179 N ASP A 14 -5.084 -8.508 -5.071 1.00 0.00 N ATOM 180 CA ASP A 14 -5.312 -8.474 -6.511 1.00 0.00 C ATOM 181 C ASP A 14 -5.297 -7.039 -7.029 1.00 0.00 C ATOM 182 O ASP A 14 -4.736 -6.758 -8.088 1.00 0.00 O ATOM 183 CB ASP A 14 -6.646 -9.139 -6.853 1.00 0.00 C ATOM 184 CG ASP A 14 -6.502 -10.626 -7.111 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.590 -11.011 -7.872 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.302 -11.405 -6.552 1.00 0.00 O ATOM 0 H ASP A 14 -5.864 -8.880 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.506 -9.025 -6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.348 -8.982 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.072 -8.660 -7.734 1.00 0.00 H new ATOM 191 N TRP A 15 -5.918 -6.138 -6.278 1.00 0.00 N ATOM 192 CA TRP A 15 -5.977 -4.732 -6.662 1.00 0.00 C ATOM 193 C TRP A 15 -4.592 -4.096 -6.614 1.00 0.00 C ATOM 194 O TRP A 15 -4.162 -3.448 -7.570 1.00 0.00 O ATOM 195 CB TRP A 15 -6.934 -3.970 -5.744 1.00 0.00 C ATOM 196 CG TRP A 15 -6.928 -2.489 -5.977 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.595 -1.812 -6.957 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.220 -1.505 -5.216 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.344 -0.465 -6.852 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.504 -0.251 -5.791 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.375 -1.560 -4.104 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.972 0.935 -5.291 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.848 -0.383 -3.610 1.00 0.00 C ATOM 204 CH2 TRP A 15 -5.148 0.851 -4.202 1.00 0.00 C ATOM 0 H TRP A 15 -6.388 -6.355 -5.399 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.347 -4.676 -7.686 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.945 -4.349 -5.890 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.666 -4.168 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.227 -2.268 -7.705 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.722 0.258 -7.464 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.138 -2.506 -3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.202 1.887 -5.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.193 -0.414 -2.752 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.720 1.753 -3.791 1.00 0.00 H new ATOM 215 N CYS A 16 -3.898 -4.284 -5.497 1.00 0.00 N ATOM 216 CA CYS A 16 -2.560 -3.728 -5.325 1.00 0.00 C ATOM 217 C CYS A 16 -1.690 -4.017 -6.544 1.00 0.00 C ATOM 218 O CYS A 16 -0.964 -3.145 -7.021 1.00 0.00 O ATOM 219 CB CYS A 16 -1.905 -4.301 -4.067 1.00 0.00 C ATOM 220 SG CYS A 16 -2.468 -3.538 -2.528 1.00 0.00 S ATOM 0 H CYS A 16 -4.239 -4.817 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.653 -2.647 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.104 -5.372 -4.023 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.825 -4.180 -4.146 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.607 -4.058 -2.177 1.00 0.00 H new ATOM 226 N ARG A 17 -1.767 -5.247 -7.041 1.00 0.00 N ATOM 227 CA ARG A 17 -0.984 -5.652 -8.202 1.00 0.00 C ATOM 228 C ARG A 17 -1.412 -4.876 -9.444 1.00 0.00 C ATOM 229 O ARG A 17 -0.616 -4.151 -10.040 1.00 0.00 O ATOM 230 CB ARG A 17 -1.138 -7.154 -8.449 1.00 0.00 C ATOM 231 CG ARG A 17 -0.450 -8.016 -7.403 1.00 0.00 C ATOM 232 CD ARG A 17 -1.107 -9.383 -7.287 1.00 0.00 C ATOM 233 NE ARG A 17 -0.921 -10.183 -8.494 1.00 0.00 N ATOM 234 CZ ARG A 17 -1.062 -11.504 -8.530 1.00 0.00 C ATOM 235 NH1 ARG A 17 -1.390 -12.168 -7.430 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.876 -12.162 -9.667 1.00 0.00 N ATOM 0 H ARG A 17 -2.364 -5.980 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 17 0.063 -5.429 -7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.199 -7.403 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.732 -7.396 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.601 -8.137 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.482 -7.513 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.690 -9.915 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.173 -9.258 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.669 -9.702 -9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.534 -11.665 -6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.498 -13.182 -7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.624 -11.654 -10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.985 -13.176 -9.693 1.00 0.00 H new ATOM 250 N ALA A 18 -2.675 -5.033 -9.828 1.00 0.00 N ATOM 251 CA ALA A 18 -3.209 -4.346 -10.997 1.00 0.00 C ATOM 252 C ALA A 18 -2.603 -2.954 -11.141 1.00 0.00 C ATOM 253 O ALA A 18 -2.109 -2.587 -12.207 1.00 0.00 O ATOM 254 CB ALA A 18 -4.725 -4.257 -10.910 1.00 0.00 C ATOM 0 H ALA A 18 -3.347 -5.630 -9.346 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.940 -4.924 -11.881 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.110 -3.741 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.146 -5.261 -10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.006 -3.704 -10.014 1.00 0.00 H new ATOM 260 N LYS A 19 -2.645 -2.181 -10.060 1.00 0.00 N ATOM 261 CA LYS A 19 -2.099 -0.829 -10.064 1.00 0.00 C ATOM 262 C LYS A 19 -0.579 -0.856 -10.187 1.00 0.00 C ATOM 263 O LYS A 19 0.009 -0.064 -10.925 1.00 0.00 O ATOM 264 CB LYS A 19 -2.505 -0.089 -8.788 1.00 0.00 C ATOM 265 CG LYS A 19 -4.008 0.065 -8.626 1.00 0.00 C ATOM 266 CD LYS A 19 -4.575 1.070 -9.614 1.00 0.00 C ATOM 267 CE LYS A 19 -6.050 0.815 -9.883 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.753 2.049 -10.331 1.00 0.00 N ATOM 0 H LYS A 19 -3.052 -2.468 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.506 -0.302 -10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.108 -0.624 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.045 0.899 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.491 -0.901 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.234 0.386 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.444 2.079 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.019 1.016 -10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.152 0.042 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.524 0.435 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.756 1.834 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.678 2.779 -9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.317 2.398 -11.209 1.00 0.00 H new ATOM 282 N THR A 20 0.053 -1.773 -9.461 1.00 0.00 N ATOM 283 CA THR A 20 1.504 -1.903 -9.489 1.00 0.00 C ATOM 284 C THR A 20 1.953 -2.811 -10.628 1.00 0.00 C ATOM 285 O THR A 20 2.962 -3.507 -10.519 1.00 0.00 O ATOM 286 CB THR A 20 2.044 -2.461 -8.159 1.00 0.00 C ATOM 287 OG1 THR A 20 1.517 -1.708 -7.062 1.00 0.00 O ATOM 288 CG2 THR A 20 3.564 -2.414 -8.130 1.00 0.00 C ATOM 0 H THR A 20 -0.418 -2.437 -8.846 1.00 0.00 H new ATOM 0 HA THR A 20 1.908 -0.903 -9.645 1.00 0.00 H new ATOM 0 HB THR A 20 1.727 -3.500 -8.071 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.617 -2.031 -6.846 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.922 -2.813 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.962 -3.013 -8.949 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.898 -1.382 -8.239 1.00 0.00 H new ATOM 296 N ARG A 21 1.197 -2.800 -11.721 1.00 0.00 N ATOM 297 CA ARG A 21 1.517 -3.623 -12.881 1.00 0.00 C ATOM 298 C ARG A 21 2.626 -2.985 -13.712 1.00 0.00 C ATOM 299 O ARG A 21 2.639 -1.773 -13.921 1.00 0.00 O ATOM 300 CB ARG A 21 0.272 -3.831 -13.745 1.00 0.00 C ATOM 301 CG ARG A 21 -0.596 -4.994 -13.294 1.00 0.00 C ATOM 302 CD ARG A 21 0.040 -6.331 -13.638 1.00 0.00 C ATOM 303 NE ARG A 21 0.066 -6.571 -15.078 1.00 0.00 N ATOM 304 CZ ARG A 21 0.854 -7.467 -15.660 1.00 0.00 C ATOM 305 NH1 ARG A 21 1.677 -8.205 -14.929 1.00 0.00 N ATOM 306 NH2 ARG A 21 0.820 -7.627 -16.977 1.00 0.00 N ATOM 0 H ARG A 21 0.358 -2.230 -11.827 1.00 0.00 H new ATOM 0 HA ARG A 21 1.867 -4.591 -12.522 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.324 -2.918 -13.734 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.580 -3.998 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.757 -4.933 -12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.575 -4.923 -13.767 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.057 -6.360 -13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.513 -7.132 -13.147 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.556 -6.020 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.706 -8.085 -13.916 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.281 -8.893 -15.379 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.188 -7.061 -17.543 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.426 -8.316 -17.423 1.00 0.00 H new ATOM 320 N GLY A 22 3.556 -3.810 -14.182 1.00 0.00 N ATOM 321 CA GLY A 22 4.656 -3.308 -14.984 1.00 0.00 C ATOM 322 C GLY A 22 5.917 -3.095 -14.170 1.00 0.00 C ATOM 323 O GLY A 22 7.001 -3.525 -14.567 1.00 0.00 O ATOM 0 H GLY A 22 3.567 -4.817 -14.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.863 -4.010 -15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.363 -2.366 -15.448 1.00 0.00 H new ATOM 327 N TYR A 23 5.777 -2.429 -13.030 1.00 0.00 N ATOM 328 CA TYR A 23 6.915 -2.156 -12.159 1.00 0.00 C ATOM 329 C TYR A 23 7.899 -3.322 -12.167 1.00 0.00 C ATOM 330 O TYR A 23 7.507 -4.479 -12.016 1.00 0.00 O ATOM 331 CB TYR A 23 6.438 -1.886 -10.731 1.00 0.00 C ATOM 332 CG TYR A 23 5.737 -0.556 -10.568 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.450 0.593 -10.251 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.361 -0.450 -10.733 1.00 0.00 C ATOM 335 CE1 TYR A 23 5.813 1.810 -10.101 1.00 0.00 C ATOM 336 CE2 TYR A 23 3.716 0.763 -10.585 1.00 0.00 C ATOM 337 CZ TYR A 23 4.446 1.890 -10.269 1.00 0.00 C ATOM 338 OH TYR A 23 3.808 3.100 -10.121 1.00 0.00 O ATOM 0 H TYR A 23 4.887 -2.068 -12.687 1.00 0.00 H new ATOM 0 HA TYR A 23 7.426 -1.271 -12.538 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.761 -2.684 -10.426 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.295 -1.921 -10.058 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.520 0.534 -10.120 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.786 -1.330 -10.981 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.382 2.694 -9.854 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.646 0.828 -10.716 1.00 0.00 H new ATOM 0 HH TYR A 23 3.596 3.244 -9.175 1.00 0.00 H new ATOM 348 N GLU A 24 9.178 -3.007 -12.343 1.00 0.00 N ATOM 349 CA GLU A 24 10.219 -4.028 -12.371 1.00 0.00 C ATOM 350 C GLU A 24 10.622 -4.432 -10.955 1.00 0.00 C ATOM 351 O GLU A 24 10.304 -3.742 -9.986 1.00 0.00 O ATOM 352 CB GLU A 24 11.443 -3.520 -13.136 1.00 0.00 C ATOM 353 CG GLU A 24 12.374 -4.628 -13.599 1.00 0.00 C ATOM 354 CD GLU A 24 13.431 -4.135 -14.568 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.092 -3.910 -15.749 1.00 0.00 O ATOM 356 OE2 GLU A 24 14.595 -3.974 -14.146 1.00 0.00 O ATOM 0 H GLU A 24 9.518 -2.054 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 24 9.819 -4.904 -12.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.108 -2.952 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.999 -2.832 -12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.861 -5.074 -12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.788 -5.414 -14.075 1.00 0.00 H new ATOM 363 N HIS A 25 11.324 -5.556 -10.844 1.00 0.00 N ATOM 364 CA HIS A 25 11.771 -6.053 -9.548 1.00 0.00 C ATOM 365 C HIS A 25 10.727 -5.775 -8.470 1.00 0.00 C ATOM 366 O HIS A 25 11.062 -5.586 -7.301 1.00 0.00 O ATOM 367 CB HIS A 25 13.103 -5.408 -9.163 1.00 0.00 C ATOM 368 CG HIS A 25 13.282 -4.028 -9.716 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.221 -3.719 -10.678 1.00 0.00 N ATOM 370 CD2 HIS A 25 12.635 -2.872 -9.439 1.00 0.00 C ATOM 371 CE1 HIS A 25 14.145 -2.432 -10.967 1.00 0.00 C ATOM 372 NE2 HIS A 25 13.190 -1.895 -10.229 1.00 0.00 N ATOM 0 H HIS A 25 11.595 -6.139 -11.636 1.00 0.00 H new ATOM 0 HA HIS A 25 11.907 -7.132 -9.627 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.177 -5.367 -8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.918 -6.040 -9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.832 -2.742 -8.729 1.00 0.00 H new ATOM 0 HE1 HIS A 25 14.759 -1.908 -11.685 1.00 0.00 H new ATOM 0 HE2 HIS A 25 12.910 -0.914 -10.243 1.00 0.00 H new ATOM 381 N VAL A 26 9.460 -5.752 -8.872 1.00 0.00 N ATOM 382 CA VAL A 26 8.368 -5.498 -7.941 1.00 0.00 C ATOM 383 C VAL A 26 7.261 -6.536 -8.096 1.00 0.00 C ATOM 384 O VAL A 26 6.663 -6.665 -9.164 1.00 0.00 O ATOM 385 CB VAL A 26 7.771 -4.093 -8.146 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.420 -3.981 -7.456 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.729 -3.028 -7.636 1.00 0.00 C ATOM 0 H VAL A 26 9.165 -5.906 -9.836 1.00 0.00 H new ATOM 0 HA VAL A 26 8.786 -5.564 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 26 7.621 -3.933 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.014 -2.982 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.736 -4.720 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.541 -4.161 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.291 -2.042 -7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.913 -3.183 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.671 -3.095 -8.180 1.00 0.00 H new ATOM 397 N ASP A 27 6.995 -7.272 -7.023 1.00 0.00 N ATOM 398 CA ASP A 27 5.959 -8.299 -7.039 1.00 0.00 C ATOM 399 C ASP A 27 5.266 -8.391 -5.683 1.00 0.00 C ATOM 400 O ASP A 27 5.888 -8.740 -4.679 1.00 0.00 O ATOM 401 CB ASP A 27 6.560 -9.655 -7.412 1.00 0.00 C ATOM 402 CG ASP A 27 5.552 -10.572 -8.076 1.00 0.00 C ATOM 403 OD1 ASP A 27 4.651 -11.073 -7.371 1.00 0.00 O ATOM 404 OD2 ASP A 27 5.664 -10.789 -9.301 1.00 0.00 O ATOM 0 H ASP A 27 7.482 -7.177 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 27 5.218 -8.021 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.405 -9.502 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.949 -10.136 -6.514 1.00 0.00 H new ATOM 409 N ILE A 28 3.975 -8.077 -5.662 1.00 0.00 N ATOM 410 CA ILE A 28 3.198 -8.125 -4.429 1.00 0.00 C ATOM 411 C ILE A 28 2.489 -9.467 -4.278 1.00 0.00 C ATOM 412 O ILE A 28 1.406 -9.672 -4.826 1.00 0.00 O ATOM 413 CB ILE A 28 2.152 -6.996 -4.379 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.825 -5.637 -4.581 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.399 -7.029 -3.057 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.862 -4.535 -4.962 1.00 0.00 C ATOM 0 H ILE A 28 3.445 -7.787 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 28 3.902 -7.994 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 28 1.436 -7.149 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.340 -5.356 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.584 -5.729 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.663 -6.225 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.891 -7.988 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.102 -6.898 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.410 -3.601 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.365 -4.794 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.117 -4.415 -4.176 1.00 0.00 H new ATOM 428 N GLN A 29 3.107 -10.375 -3.531 1.00 0.00 N ATOM 429 CA GLN A 29 2.534 -11.697 -3.307 1.00 0.00 C ATOM 430 C GLN A 29 1.776 -11.745 -1.984 1.00 0.00 C ATOM 431 O GLN A 29 0.753 -12.419 -1.868 1.00 0.00 O ATOM 432 CB GLN A 29 3.633 -12.761 -3.316 1.00 0.00 C ATOM 433 CG GLN A 29 3.922 -13.325 -4.698 1.00 0.00 C ATOM 434 CD GLN A 29 5.233 -14.083 -4.757 1.00 0.00 C ATOM 435 OE1 GLN A 29 6.293 -13.539 -4.444 1.00 0.00 O ATOM 436 NE2 GLN A 29 5.169 -15.347 -5.159 1.00 0.00 N ATOM 0 H GLN A 29 4.004 -10.220 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 29 1.832 -11.902 -4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.548 -12.330 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.343 -13.576 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.109 -13.989 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.945 -12.510 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.269 -15.758 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.019 -15.907 -5.218 1.00 0.00 H new ATOM 445 N ASN A 30 2.284 -11.025 -0.990 1.00 0.00 N ATOM 446 CA ASN A 30 1.655 -10.986 0.325 1.00 0.00 C ATOM 447 C ASN A 30 2.103 -9.754 1.106 1.00 0.00 C ATOM 448 O ASN A 30 3.117 -9.136 0.783 1.00 0.00 O ATOM 449 CB ASN A 30 1.992 -12.254 1.113 1.00 0.00 C ATOM 450 CG ASN A 30 3.377 -12.783 0.791 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.525 -13.759 0.056 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.399 -12.139 1.342 1.00 0.00 N ATOM 0 H ASN A 30 3.130 -10.460 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 30 0.576 -10.931 0.182 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.925 -12.044 2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.252 -13.023 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.354 -12.449 1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.229 -11.334 1.945 1.00 0.00 H new ATOM 459 N PHE A 31 1.339 -9.403 2.136 1.00 0.00 N ATOM 460 CA PHE A 31 1.656 -8.245 2.963 1.00 0.00 C ATOM 461 C PHE A 31 2.494 -8.654 4.172 1.00 0.00 C ATOM 462 O PHE A 31 2.243 -8.210 5.293 1.00 0.00 O ATOM 463 CB PHE A 31 0.371 -7.557 3.428 1.00 0.00 C ATOM 464 CG PHE A 31 -0.714 -7.550 2.391 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.735 -6.586 1.396 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.715 -8.509 2.410 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.733 -6.577 0.440 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.715 -8.506 1.455 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.724 -7.538 0.470 1.00 0.00 C ATOM 0 H PHE A 31 0.496 -9.904 2.417 1.00 0.00 H new ATOM 0 HA PHE A 31 2.236 -7.546 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.004 -8.058 4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.600 -6.529 3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.038 -5.832 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.714 -9.267 3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.738 -5.819 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.488 -9.260 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.505 -7.533 -0.276 1.00 0.00 H new ATOM 479 N SER A 32 3.489 -9.502 3.935 1.00 0.00 N ATOM 480 CA SER A 32 4.361 -9.975 5.004 1.00 0.00 C ATOM 481 C SER A 32 5.733 -9.313 4.918 1.00 0.00 C ATOM 482 O SER A 32 6.101 -8.508 5.773 1.00 0.00 O ATOM 483 CB SER A 32 4.510 -11.496 4.935 1.00 0.00 C ATOM 484 OG SER A 32 4.993 -12.017 6.161 1.00 0.00 O ATOM 0 H SER A 32 3.712 -9.876 3.012 1.00 0.00 H new ATOM 0 HA SER A 32 3.906 -9.705 5.957 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.547 -11.949 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.194 -11.761 4.129 1.00 0.00 H new ATOM 0 HG SER A 32 5.078 -12.991 6.092 1.00 0.00 H new ATOM 490 N SER A 33 6.486 -9.660 3.879 1.00 0.00 N ATOM 491 CA SER A 33 7.820 -9.104 3.681 1.00 0.00 C ATOM 492 C SER A 33 7.910 -8.370 2.347 1.00 0.00 C ATOM 493 O SER A 33 8.744 -7.483 2.169 1.00 0.00 O ATOM 494 CB SER A 33 8.871 -10.214 3.738 1.00 0.00 C ATOM 495 OG SER A 33 8.669 -11.162 2.704 1.00 0.00 O ATOM 0 H SER A 33 6.195 -10.324 3.161 1.00 0.00 H new ATOM 0 HA SER A 33 8.012 -8.390 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.867 -9.781 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.826 -10.712 4.706 1.00 0.00 H new ATOM 0 HG SER A 33 9.355 -11.860 2.761 1.00 0.00 H new ATOM 501 N SER A 34 7.044 -8.748 1.411 1.00 0.00 N ATOM 502 CA SER A 34 7.027 -8.129 0.091 1.00 0.00 C ATOM 503 C SER A 34 7.093 -6.608 0.203 1.00 0.00 C ATOM 504 O SER A 34 7.490 -5.923 -0.740 1.00 0.00 O ATOM 505 CB SER A 34 5.768 -8.541 -0.673 1.00 0.00 C ATOM 506 OG SER A 34 5.792 -8.047 -2.001 1.00 0.00 O ATOM 0 H SER A 34 6.346 -9.480 1.543 1.00 0.00 H new ATOM 0 HA SER A 34 7.904 -8.474 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.687 -9.628 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.886 -8.163 -0.157 1.00 0.00 H new ATOM 0 HG SER A 34 5.849 -8.798 -2.628 1.00 0.00 H new ATOM 512 N TRP A 35 6.702 -6.090 1.361 1.00 0.00 N ATOM 513 CA TRP A 35 6.716 -4.650 1.597 1.00 0.00 C ATOM 514 C TRP A 35 7.916 -4.250 2.447 1.00 0.00 C ATOM 515 O TRP A 35 8.451 -3.151 2.304 1.00 0.00 O ATOM 516 CB TRP A 35 5.420 -4.213 2.282 1.00 0.00 C ATOM 517 CG TRP A 35 4.186 -4.669 1.566 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.737 -5.953 1.443 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.243 -3.845 0.872 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.572 -5.977 0.715 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.247 -4.696 0.354 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.141 -2.470 0.641 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.167 -4.216 -0.382 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.069 -1.996 -0.090 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.093 -2.866 -0.594 1.00 0.00 C ATOM 0 H TRP A 35 6.372 -6.644 2.151 1.00 0.00 H new ATOM 0 HA TRP A 35 6.795 -4.149 0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.406 -4.604 3.300 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.406 -3.126 2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.226 -6.822 1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.036 -6.813 0.481 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.887 -1.791 1.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.414 -4.885 -0.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.982 -0.936 -0.276 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.266 -2.463 -1.161 1.00 0.00 H new ATOM 536 N SER A 36 8.334 -5.148 3.333 1.00 0.00 N ATOM 537 CA SER A 36 9.470 -4.887 4.210 1.00 0.00 C ATOM 538 C SER A 36 10.594 -4.189 3.449 1.00 0.00 C ATOM 539 O SER A 36 11.254 -3.294 3.978 1.00 0.00 O ATOM 540 CB SER A 36 9.984 -6.193 4.817 1.00 0.00 C ATOM 541 OG SER A 36 10.666 -6.972 3.850 1.00 0.00 O ATOM 0 H SER A 36 7.903 -6.063 3.463 1.00 0.00 H new ATOM 0 HA SER A 36 9.135 -4.230 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.653 -5.972 5.648 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.148 -6.762 5.223 1.00 0.00 H new ATOM 0 HG SER A 36 10.015 -7.395 3.252 1.00 0.00 H new ATOM 547 N ASP A 37 10.805 -4.606 2.206 1.00 0.00 N ATOM 548 CA ASP A 37 11.848 -4.022 1.370 1.00 0.00 C ATOM 549 C ASP A 37 11.673 -2.510 1.260 1.00 0.00 C ATOM 550 O ASP A 37 12.528 -1.742 1.697 1.00 0.00 O ATOM 551 CB ASP A 37 11.829 -4.653 -0.023 1.00 0.00 C ATOM 552 CG ASP A 37 10.437 -5.081 -0.445 1.00 0.00 C ATOM 553 OD1 ASP A 37 9.642 -4.203 -0.844 1.00 0.00 O ATOM 554 OD2 ASP A 37 10.143 -6.292 -0.379 1.00 0.00 O ATOM 0 H ASP A 37 10.268 -5.346 1.754 1.00 0.00 H new ATOM 0 HA ASP A 37 12.811 -4.225 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.222 -3.940 -0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.492 -5.518 -0.036 1.00 0.00 H new ATOM 559 N GLY A 38 10.557 -2.090 0.670 1.00 0.00 N ATOM 560 CA GLY A 38 10.291 -0.673 0.512 1.00 0.00 C ATOM 561 C GLY A 38 9.739 -0.337 -0.860 1.00 0.00 C ATOM 562 O GLY A 38 8.612 0.143 -0.982 1.00 0.00 O ATOM 0 H GLY A 38 9.834 -2.706 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.581 -0.352 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.211 -0.113 0.677 1.00 0.00 H new ATOM 566 N MET A 39 10.535 -0.587 -1.894 1.00 0.00 N ATOM 567 CA MET A 39 10.119 -0.307 -3.263 1.00 0.00 C ATOM 568 C MET A 39 8.624 -0.555 -3.439 1.00 0.00 C ATOM 569 O MET A 39 7.893 0.314 -3.913 1.00 0.00 O ATOM 570 CB MET A 39 10.910 -1.172 -4.246 1.00 0.00 C ATOM 571 CG MET A 39 12.342 -0.705 -4.451 1.00 0.00 C ATOM 572 SD MET A 39 13.011 -1.198 -6.051 1.00 0.00 S ATOM 573 CE MET A 39 13.156 0.393 -6.861 1.00 0.00 C ATOM 0 H MET A 39 11.471 -0.983 -1.810 1.00 0.00 H new ATOM 0 HA MET A 39 10.322 0.744 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.920 -2.201 -3.885 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.397 -1.176 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.382 0.381 -4.364 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.970 -1.112 -3.658 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.209 0.248 -7.940 1.00 0.00 H new ATOM 0 HE2 MET A 39 12.287 1.005 -6.619 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.060 0.895 -6.518 1.00 0.00 H new ATOM 583 N ALA A 40 8.177 -1.746 -3.053 1.00 0.00 N ATOM 584 CA ALA A 40 6.769 -2.106 -3.167 1.00 0.00 C ATOM 585 C ALA A 40 5.870 -0.907 -2.882 1.00 0.00 C ATOM 586 O ALA A 40 5.183 -0.409 -3.773 1.00 0.00 O ATOM 587 CB ALA A 40 6.439 -3.251 -2.221 1.00 0.00 C ATOM 0 H ALA A 40 8.769 -2.477 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 40 6.585 -2.430 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.384 -3.509 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.049 -4.118 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.646 -2.947 -1.195 1.00 0.00 H new ATOM 593 N PHE A 41 5.880 -0.449 -1.634 1.00 0.00 N ATOM 594 CA PHE A 41 5.065 0.690 -1.232 1.00 0.00 C ATOM 595 C PHE A 41 5.162 1.817 -2.256 1.00 0.00 C ATOM 596 O PHE A 41 4.158 2.227 -2.841 1.00 0.00 O ATOM 597 CB PHE A 41 5.502 1.197 0.144 1.00 0.00 C ATOM 598 CG PHE A 41 4.823 0.496 1.285 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.456 0.618 1.476 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.552 -0.286 2.167 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.828 -0.027 2.525 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.929 -0.933 3.218 1.00 0.00 C ATOM 603 CZ PHE A 41 3.566 -0.803 3.398 1.00 0.00 C ATOM 0 H PHE A 41 6.444 -0.850 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 41 4.027 0.361 -1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.580 1.073 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.297 2.265 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.874 1.224 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.618 -0.391 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.762 0.076 2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.508 -1.540 3.898 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.078 -1.307 4.219 1.00 0.00 H new ATOM 613 N CYS A 42 6.375 2.314 -2.467 1.00 0.00 N ATOM 614 CA CYS A 42 6.605 3.395 -3.419 1.00 0.00 C ATOM 615 C CYS A 42 5.836 3.151 -4.714 1.00 0.00 C ATOM 616 O CYS A 42 4.934 3.911 -5.065 1.00 0.00 O ATOM 617 CB CYS A 42 8.098 3.532 -3.717 1.00 0.00 C ATOM 618 SG CYS A 42 9.085 4.081 -2.305 1.00 0.00 S ATOM 0 H CYS A 42 7.215 1.986 -1.991 1.00 0.00 H new ATOM 0 HA CYS A 42 6.245 4.322 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.479 2.570 -4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.231 4.239 -4.536 1.00 0.00 H new ATOM 0 HG CYS A 42 8.477 3.763 -1.201 1.00 0.00 H new ATOM 624 N ALA A 43 6.200 2.086 -5.421 1.00 0.00 N ATOM 625 CA ALA A 43 5.545 1.741 -6.676 1.00 0.00 C ATOM 626 C ALA A 43 4.032 1.893 -6.565 1.00 0.00 C ATOM 627 O ALA A 43 3.403 2.568 -7.383 1.00 0.00 O ATOM 628 CB ALA A 43 5.906 0.322 -7.088 1.00 0.00 C ATOM 0 H ALA A 43 6.946 1.447 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 43 5.898 2.431 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.409 0.078 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.985 0.244 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.582 -0.375 -6.315 1.00 0.00 H new ATOM 634 N LEU A 44 3.451 1.263 -5.550 1.00 0.00 N ATOM 635 CA LEU A 44 2.010 1.328 -5.333 1.00 0.00 C ATOM 636 C LEU A 44 1.527 2.774 -5.310 1.00 0.00 C ATOM 637 O LEU A 44 0.561 3.128 -5.986 1.00 0.00 O ATOM 638 CB LEU A 44 1.641 0.634 -4.020 1.00 0.00 C ATOM 639 CG LEU A 44 0.162 0.673 -3.634 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.596 -0.459 -4.309 1.00 0.00 C ATOM 641 CD2 LEU A 44 0.004 0.596 -2.122 1.00 0.00 C ATOM 0 H LEU A 44 3.956 0.701 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 44 1.519 0.814 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.952 -0.409 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.218 1.091 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.259 1.619 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.647 -0.415 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.511 -0.360 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.175 -1.415 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.055 0.625 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.441 -0.334 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.513 1.442 -1.659 1.00 0.00 H new ATOM 653 N VAL A 45 2.208 3.608 -4.529 1.00 0.00 N ATOM 654 CA VAL A 45 1.851 5.017 -4.421 1.00 0.00 C ATOM 655 C VAL A 45 2.077 5.745 -5.741 1.00 0.00 C ATOM 656 O VAL A 45 1.137 6.259 -6.348 1.00 0.00 O ATOM 657 CB VAL A 45 2.663 5.718 -3.315 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.297 7.193 -3.238 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.439 5.034 -1.975 1.00 0.00 C ATOM 0 H VAL A 45 3.010 3.331 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 45 0.792 5.056 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 45 3.722 5.643 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.880 7.672 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.513 7.672 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.235 7.293 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.020 5.542 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.381 5.076 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.755 3.993 -2.040 1.00 0.00 H new ATOM 669 N HIS A 46 3.330 5.784 -6.182 1.00 0.00 N ATOM 670 CA HIS A 46 3.681 6.448 -7.433 1.00 0.00 C ATOM 671 C HIS A 46 2.574 6.274 -8.468 1.00 0.00 C ATOM 672 O HIS A 46 2.207 7.221 -9.163 1.00 0.00 O ATOM 673 CB HIS A 46 4.997 5.893 -7.978 1.00 0.00 C ATOM 674 CG HIS A 46 5.503 6.625 -9.182 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.165 6.276 -10.473 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.325 7.695 -9.287 1.00 0.00 C ATOM 677 CE1 HIS A 46 5.759 7.099 -11.319 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.469 7.970 -10.625 1.00 0.00 N ATOM 0 H HIS A 46 4.120 5.364 -5.692 1.00 0.00 H new ATOM 0 HA HIS A 46 3.801 7.512 -7.230 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.752 5.935 -7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.861 4.842 -8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.783 8.233 -8.470 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.678 7.065 -12.395 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.032 8.724 -11.018 1.00 0.00 H new ATOM 687 N ASN A 47 2.047 5.058 -8.567 1.00 0.00 N ATOM 688 CA ASN A 47 0.983 4.760 -9.519 1.00 0.00 C ATOM 689 C ASN A 47 -0.138 5.790 -9.421 1.00 0.00 C ATOM 690 O ASN A 47 -0.602 6.316 -10.433 1.00 0.00 O ATOM 691 CB ASN A 47 0.425 3.357 -9.270 1.00 0.00 C ATOM 692 CG ASN A 47 -0.257 2.780 -10.495 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.380 2.552 -11.524 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.559 2.543 -10.390 1.00 0.00 N ATOM 0 H ASN A 47 2.340 4.263 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 47 1.405 4.803 -10.523 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.236 2.696 -8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.286 3.393 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.072 2.156 -11.182 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.046 2.748 -9.517 1.00 0.00 H new ATOM 701 N PHE A 48 -0.568 6.074 -8.196 1.00 0.00 N ATOM 702 CA PHE A 48 -1.635 7.041 -7.966 1.00 0.00 C ATOM 703 C PHE A 48 -1.143 8.464 -8.214 1.00 0.00 C ATOM 704 O PHE A 48 -1.752 9.221 -8.971 1.00 0.00 O ATOM 705 CB PHE A 48 -2.166 6.916 -6.536 1.00 0.00 C ATOM 706 CG PHE A 48 -2.154 5.507 -6.014 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.765 4.486 -6.723 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.531 5.205 -4.814 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.756 3.190 -6.244 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.518 3.910 -4.330 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.131 2.901 -5.047 1.00 0.00 C ATOM 0 H PHE A 48 -0.194 5.648 -7.348 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.442 6.827 -8.667 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.566 7.544 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.186 7.300 -6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.254 4.705 -7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.050 5.990 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.238 2.403 -6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.029 3.688 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.122 1.888 -4.672 1.00 0.00 H new ATOM 721 N PHE A 49 -0.036 8.821 -7.572 1.00 0.00 N ATOM 722 CA PHE A 49 0.539 10.153 -7.721 1.00 0.00 C ATOM 723 C PHE A 49 2.002 10.070 -8.145 1.00 0.00 C ATOM 724 O PHE A 49 2.916 10.086 -7.320 1.00 0.00 O ATOM 725 CB PHE A 49 0.419 10.933 -6.410 1.00 0.00 C ATOM 726 CG PHE A 49 -0.905 10.755 -5.725 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.987 11.552 -6.061 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.068 9.789 -4.745 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.207 11.390 -5.431 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.286 9.622 -4.112 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.357 10.423 -4.456 1.00 0.00 C ATOM 0 H PHE A 49 0.481 8.206 -6.943 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.017 10.676 -8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.214 10.617 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.575 11.993 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.876 12.309 -6.824 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.234 9.159 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.042 12.019 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.400 8.866 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.310 10.294 -3.964 1.00 0.00 H new ATOM 741 N PRO A 50 2.231 9.979 -9.464 1.00 0.00 N ATOM 742 CA PRO A 50 3.581 9.892 -10.028 1.00 0.00 C ATOM 743 C PRO A 50 4.356 11.197 -9.884 1.00 0.00 C ATOM 744 O PRO A 50 5.544 11.192 -9.565 1.00 0.00 O ATOM 745 CB PRO A 50 3.328 9.580 -11.505 1.00 0.00 C ATOM 746 CG PRO A 50 1.969 10.124 -11.780 1.00 0.00 C ATOM 747 CD PRO A 50 1.190 9.955 -10.505 1.00 0.00 C ATOM 0 HA PRO A 50 4.188 9.144 -9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.078 10.048 -12.143 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.371 8.508 -11.696 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.020 11.173 -12.070 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.493 9.589 -12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.465 10.758 -10.367 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.633 9.018 -10.495 1.00 0.00 H new ATOM 755 N GLU A 51 3.674 12.314 -10.122 1.00 0.00 N ATOM 756 CA GLU A 51 4.300 13.627 -10.019 1.00 0.00 C ATOM 757 C GLU A 51 4.697 13.928 -8.577 1.00 0.00 C ATOM 758 O GLU A 51 5.753 14.505 -8.320 1.00 0.00 O ATOM 759 CB GLU A 51 3.352 14.710 -10.536 1.00 0.00 C ATOM 760 CG GLU A 51 1.995 14.710 -9.851 1.00 0.00 C ATOM 761 CD GLU A 51 1.211 15.982 -10.108 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.673 17.061 -9.684 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.134 15.897 -10.736 1.00 0.00 O ATOM 0 H GLU A 51 2.689 12.335 -10.387 1.00 0.00 H new ATOM 0 HA GLU A 51 5.201 13.621 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.819 15.685 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.208 14.574 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.416 13.855 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.134 14.584 -8.777 1.00 0.00 H new ATOM 770 N ALA A 52 3.841 13.535 -7.639 1.00 0.00 N ATOM 771 CA ALA A 52 4.102 13.761 -6.223 1.00 0.00 C ATOM 772 C ALA A 52 5.562 13.484 -5.883 1.00 0.00 C ATOM 773 O ALA A 52 6.202 14.258 -5.171 1.00 0.00 O ATOM 774 CB ALA A 52 3.186 12.894 -5.372 1.00 0.00 C ATOM 0 H ALA A 52 2.961 13.058 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 52 3.898 14.809 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.392 13.073 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.147 13.143 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.362 11.843 -5.603 1.00 0.00 H new ATOM 780 N PHE A 53 6.084 12.374 -6.395 1.00 0.00 N ATOM 781 CA PHE A 53 7.469 11.994 -6.143 1.00 0.00 C ATOM 782 C PHE A 53 7.983 11.058 -7.234 1.00 0.00 C ATOM 783 O PHE A 53 7.207 10.348 -7.873 1.00 0.00 O ATOM 784 CB PHE A 53 7.595 11.320 -4.776 1.00 0.00 C ATOM 785 CG PHE A 53 7.112 9.897 -4.762 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.778 9.603 -4.993 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.992 8.855 -4.519 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.331 8.295 -4.981 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.551 7.545 -4.505 1.00 0.00 C ATOM 790 CZ PHE A 53 6.219 7.265 -4.737 1.00 0.00 C ATOM 0 H PHE A 53 5.569 11.722 -6.987 1.00 0.00 H new ATOM 0 HA PHE A 53 8.075 12.900 -6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.639 11.344 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.029 11.895 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.080 10.404 -5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.035 9.069 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.289 8.078 -5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.247 6.742 -4.313 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.872 6.242 -4.728 1.00 0.00 H new ATOM 800 N ASP A 54 9.295 11.064 -7.440 1.00 0.00 N ATOM 801 CA ASP A 54 9.914 10.216 -8.452 1.00 0.00 C ATOM 802 C ASP A 54 10.231 8.836 -7.885 1.00 0.00 C ATOM 803 O ASP A 54 10.842 8.716 -6.823 1.00 0.00 O ATOM 804 CB ASP A 54 11.191 10.868 -8.984 1.00 0.00 C ATOM 805 CG ASP A 54 10.919 11.826 -10.127 1.00 0.00 C ATOM 806 OD1 ASP A 54 9.870 11.678 -10.789 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.755 12.723 -10.360 1.00 0.00 O ATOM 0 H ASP A 54 9.951 11.647 -6.920 1.00 0.00 H new ATOM 0 HA ASP A 54 9.207 10.098 -9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.686 11.404 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.879 10.092 -9.320 1.00 0.00 H new ATOM 812 N TYR A 55 9.811 7.798 -8.599 1.00 0.00 N ATOM 813 CA TYR A 55 10.047 6.426 -8.165 1.00 0.00 C ATOM 814 C TYR A 55 11.435 5.953 -8.586 1.00 0.00 C ATOM 815 O TYR A 55 12.242 5.543 -7.753 1.00 0.00 O ATOM 816 CB TYR A 55 8.981 5.495 -8.745 1.00 0.00 C ATOM 817 CG TYR A 55 9.277 4.028 -8.531 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.308 3.485 -7.252 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.526 3.184 -9.606 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.579 2.145 -7.051 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.796 1.843 -9.415 1.00 0.00 C ATOM 822 CZ TYR A 55 9.821 1.328 -8.136 1.00 0.00 C ATOM 823 OH TYR A 55 10.092 -0.007 -7.941 1.00 0.00 O ATOM 0 H TYR A 55 9.305 7.880 -9.481 1.00 0.00 H new ATOM 0 HA TYR A 55 9.989 6.401 -7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.018 5.732 -8.293 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.887 5.686 -9.814 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.117 4.121 -6.401 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.508 3.584 -10.609 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.601 1.740 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.986 1.201 -10.263 1.00 0.00 H new ATOM 0 HH TYR A 55 10.238 -0.441 -8.807 1.00 0.00 H new ATOM 833 N GLY A 56 11.705 6.013 -9.886 1.00 0.00 N ATOM 834 CA GLY A 56 12.995 5.589 -10.397 1.00 0.00 C ATOM 835 C GLY A 56 14.151 6.220 -9.647 1.00 0.00 C ATOM 836 O GLY A 56 15.262 5.690 -9.646 1.00 0.00 O ATOM 0 H GLY A 56 11.053 6.348 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.071 4.504 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.067 5.848 -11.453 1.00 0.00 H new ATOM 840 N GLN A 57 13.891 7.356 -9.008 1.00 0.00 N ATOM 841 CA GLN A 57 14.920 8.061 -8.253 1.00 0.00 C ATOM 842 C GLN A 57 15.334 7.263 -7.022 1.00 0.00 C ATOM 843 O GLN A 57 16.492 7.306 -6.602 1.00 0.00 O ATOM 844 CB GLN A 57 14.417 9.444 -7.834 1.00 0.00 C ATOM 845 CG GLN A 57 14.466 10.473 -8.952 1.00 0.00 C ATOM 846 CD GLN A 57 15.881 10.891 -9.300 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.719 10.058 -9.646 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.156 12.187 -9.209 1.00 0.00 N ATOM 0 H GLN A 57 12.977 7.808 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 57 15.792 8.179 -8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.391 9.356 -7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.016 9.801 -6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.984 10.063 -9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.894 11.352 -8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.431 12.843 -8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.092 12.526 -9.430 1.00 0.00 H new ATOM 857 N LEU A 58 14.383 6.536 -6.446 1.00 0.00 N ATOM 858 CA LEU A 58 14.649 5.728 -5.262 1.00 0.00 C ATOM 859 C LEU A 58 15.430 4.469 -5.625 1.00 0.00 C ATOM 860 O LEU A 58 15.541 4.112 -6.798 1.00 0.00 O ATOM 861 CB LEU A 58 13.337 5.346 -4.575 1.00 0.00 C ATOM 862 CG LEU A 58 12.383 6.500 -4.262 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.945 6.007 -4.215 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.764 7.165 -2.947 1.00 0.00 C ATOM 0 H LEU A 58 13.420 6.490 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 58 15.252 6.323 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.814 4.630 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.574 4.834 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 58 12.465 7.240 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.281 6.842 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.676 5.578 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.846 5.247 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.075 7.984 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.711 6.434 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.780 7.555 -3.017 1.00 0.00 H new ATOM 876 N SER A 59 15.968 3.798 -4.611 1.00 0.00 N ATOM 877 CA SER A 59 16.740 2.580 -4.824 1.00 0.00 C ATOM 878 C SER A 59 16.229 1.450 -3.936 1.00 0.00 C ATOM 879 O SER A 59 15.663 1.676 -2.865 1.00 0.00 O ATOM 880 CB SER A 59 18.222 2.834 -4.543 1.00 0.00 C ATOM 881 OG SER A 59 18.824 3.561 -5.600 1.00 0.00 O ATOM 0 H SER A 59 15.883 4.078 -3.634 1.00 0.00 H new ATOM 0 HA SER A 59 16.621 2.282 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.329 3.387 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.739 1.883 -4.411 1.00 0.00 H new ATOM 0 HG SER A 59 19.770 3.712 -5.396 1.00 0.00 H new ATOM 887 N PRO A 60 16.431 0.204 -4.389 1.00 0.00 N ATOM 888 CA PRO A 60 15.999 -0.986 -3.650 1.00 0.00 C ATOM 889 C PRO A 60 16.815 -1.210 -2.382 1.00 0.00 C ATOM 890 O PRO A 60 16.290 -1.672 -1.369 1.00 0.00 O ATOM 891 CB PRO A 60 16.234 -2.126 -4.646 1.00 0.00 C ATOM 892 CG PRO A 60 17.308 -1.624 -5.549 1.00 0.00 C ATOM 893 CD PRO A 60 17.098 -0.139 -5.656 1.00 0.00 C ATOM 0 HA PRO A 60 14.966 -0.903 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.540 -3.040 -4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.326 -2.359 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.295 -1.851 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.248 -2.098 -6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.042 0.393 -5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.481 0.119 -6.517 1.00 0.00 H new ATOM 901 N GLN A 61 18.100 -0.879 -2.445 1.00 0.00 N ATOM 902 CA GLN A 61 18.988 -1.044 -1.300 1.00 0.00 C ATOM 903 C GLN A 61 18.495 -0.232 -0.107 1.00 0.00 C ATOM 904 O GLN A 61 18.876 -0.492 1.034 1.00 0.00 O ATOM 905 CB GLN A 61 20.412 -0.621 -1.666 1.00 0.00 C ATOM 906 CG GLN A 61 21.219 -1.719 -2.339 1.00 0.00 C ATOM 907 CD GLN A 61 22.497 -1.202 -2.969 1.00 0.00 C ATOM 908 OE1 GLN A 61 22.469 -0.562 -4.021 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.627 -1.477 -2.328 1.00 0.00 N ATOM 0 H GLN A 61 18.550 -0.495 -3.276 1.00 0.00 H new ATOM 0 HA GLN A 61 18.990 -2.098 -1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.366 0.243 -2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.931 -0.302 -0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.465 -2.486 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 61 20.608 -2.196 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.604 -2.010 -1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.518 -1.155 -2.705 1.00 0.00 H new ATOM 918 N ASN A 62 17.645 0.753 -0.378 1.00 0.00 N ATOM 919 CA ASN A 62 17.100 1.604 0.673 1.00 0.00 C ATOM 920 C ASN A 62 15.859 0.972 1.296 1.00 0.00 C ATOM 921 O ASN A 62 14.819 0.854 0.648 1.00 0.00 O ATOM 922 CB ASN A 62 16.757 2.986 0.113 1.00 0.00 C ATOM 923 CG ASN A 62 17.923 3.951 0.201 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.417 4.248 1.289 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.368 4.447 -0.948 1.00 0.00 N ATOM 0 H ASN A 62 17.319 0.982 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 62 17.859 1.712 1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.449 2.887 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.908 3.396 0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.150 5.102 -0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.928 4.173 -1.826 1.00 0.00 H new ATOM 932 N ARG A 63 15.976 0.569 2.557 1.00 0.00 N ATOM 933 CA ARG A 63 14.863 -0.052 3.267 1.00 0.00 C ATOM 934 C ARG A 63 14.003 1.003 3.957 1.00 0.00 C ATOM 935 O ARG A 63 12.777 0.897 3.985 1.00 0.00 O ATOM 936 CB ARG A 63 15.385 -1.054 4.298 1.00 0.00 C ATOM 937 CG ARG A 63 16.073 -2.261 3.680 1.00 0.00 C ATOM 938 CD ARG A 63 17.093 -2.867 4.631 1.00 0.00 C ATOM 939 NE ARG A 63 16.461 -3.668 5.675 1.00 0.00 N ATOM 940 CZ ARG A 63 17.082 -4.641 6.333 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.346 -4.931 6.056 1.00 0.00 N ATOM 942 NH2 ARG A 63 16.439 -5.325 7.270 1.00 0.00 N ATOM 0 H ARG A 63 16.829 0.661 3.108 1.00 0.00 H new ATOM 0 HA ARG A 63 14.247 -0.578 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.085 -0.548 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.553 -1.396 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.327 -3.012 3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.567 -1.965 2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.788 -3.489 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.678 -2.070 5.090 1.00 0.00 H new ATOM 0 HE ARG A 63 15.489 -3.470 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.844 -4.407 5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.821 -5.678 6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.467 -5.104 7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.917 -6.072 7.775 1.00 0.00 H new ATOM 956 N ARG A 64 14.655 2.020 4.512 1.00 0.00 N ATOM 957 CA ARG A 64 13.950 3.093 5.203 1.00 0.00 C ATOM 958 C ARG A 64 13.404 4.114 4.209 1.00 0.00 C ATOM 959 O ARG A 64 12.193 4.293 4.092 1.00 0.00 O ATOM 960 CB ARG A 64 14.881 3.783 6.201 1.00 0.00 C ATOM 961 CG ARG A 64 14.147 4.508 7.318 1.00 0.00 C ATOM 962 CD ARG A 64 15.110 5.006 8.385 1.00 0.00 C ATOM 963 NE ARG A 64 14.472 5.951 9.298 1.00 0.00 N ATOM 964 CZ ARG A 64 14.155 7.196 8.964 1.00 0.00 C ATOM 965 NH1 ARG A 64 14.414 7.645 7.744 1.00 0.00 N ATOM 966 NH2 ARG A 64 13.577 7.996 9.851 1.00 0.00 N ATOM 0 H ARG A 64 15.670 2.123 4.497 1.00 0.00 H new ATOM 0 HA ARG A 64 13.111 2.654 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.547 3.039 6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.508 4.497 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.593 5.351 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.416 3.837 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.494 4.158 8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.965 5.484 7.907 1.00 0.00 H new ATOM 0 HE ARG A 64 14.258 5.637 10.245 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.858 7.033 7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.169 8.602 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.376 7.655 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.334 8.952 9.593 1.00 0.00 H new ATOM 980 N GLN A 65 14.308 4.780 3.497 1.00 0.00 N ATOM 981 CA GLN A 65 13.917 5.783 2.514 1.00 0.00 C ATOM 982 C GLN A 65 12.653 5.357 1.774 1.00 0.00 C ATOM 983 O GLN A 65 11.647 6.065 1.785 1.00 0.00 O ATOM 984 CB GLN A 65 15.051 6.020 1.516 1.00 0.00 C ATOM 985 CG GLN A 65 15.055 7.418 0.919 1.00 0.00 C ATOM 986 CD GLN A 65 14.870 8.500 1.964 1.00 0.00 C ATOM 987 OE1 GLN A 65 15.626 8.579 2.932 1.00 0.00 O ATOM 988 NE2 GLN A 65 13.861 9.341 1.774 1.00 0.00 N ATOM 0 H GLN A 65 15.315 4.643 3.583 1.00 0.00 H new ATOM 0 HA GLN A 65 13.710 6.712 3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 65 16.005 5.844 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.973 5.290 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.996 7.582 0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.260 7.495 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.259 9.239 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.688 10.090 2.445 1.00 0.00 H new ATOM 997 N ASN A 66 12.713 4.195 1.132 1.00 0.00 N ATOM 998 CA ASN A 66 11.573 3.675 0.385 1.00 0.00 C ATOM 999 C ASN A 66 10.273 3.899 1.152 1.00 0.00 C ATOM 1000 O ASN A 66 9.309 4.443 0.614 1.00 0.00 O ATOM 1001 CB ASN A 66 11.761 2.183 0.102 1.00 0.00 C ATOM 1002 CG ASN A 66 12.665 1.930 -1.089 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.912 2.826 -1.897 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.164 0.705 -1.203 1.00 0.00 N ATOM 0 H ASN A 66 13.538 3.596 1.114 1.00 0.00 H new ATOM 0 HA ASN A 66 11.513 4.213 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.182 1.699 0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.789 1.725 -0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.779 0.475 -1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.932 -0.007 -0.510 1.00 0.00 H new ATOM 1011 N PHE A 67 10.254 3.475 2.411 1.00 0.00 N ATOM 1012 CA PHE A 67 9.073 3.629 3.252 1.00 0.00 C ATOM 1013 C PHE A 67 8.727 5.103 3.440 1.00 0.00 C ATOM 1014 O PHE A 67 7.676 5.565 3.000 1.00 0.00 O ATOM 1015 CB PHE A 67 9.300 2.969 4.613 1.00 0.00 C ATOM 1016 CG PHE A 67 9.003 1.496 4.623 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.811 0.608 3.932 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.915 1.001 5.324 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.538 -0.747 3.939 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.638 -0.353 5.334 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.451 -1.228 4.642 1.00 0.00 C ATOM 0 H PHE A 67 11.043 3.022 2.872 1.00 0.00 H new ATOM 0 HA PHE A 67 8.237 3.139 2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.336 3.125 4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.674 3.463 5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.663 0.978 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.276 1.681 5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.174 -1.429 3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.786 -0.726 5.883 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.237 -2.287 4.650 1.00 0.00 H new ATOM 1031 N GLU A 68 9.621 5.835 4.099 1.00 0.00 N ATOM 1032 CA GLU A 68 9.410 7.256 4.347 1.00 0.00 C ATOM 1033 C GLU A 68 8.823 7.942 3.116 1.00 0.00 C ATOM 1034 O GLU A 68 7.769 8.575 3.188 1.00 0.00 O ATOM 1035 CB GLU A 68 10.727 7.929 4.739 1.00 0.00 C ATOM 1036 CG GLU A 68 11.390 7.305 5.956 1.00 0.00 C ATOM 1037 CD GLU A 68 10.902 7.906 7.259 1.00 0.00 C ATOM 1038 OE1 GLU A 68 10.614 9.121 7.282 1.00 0.00 O ATOM 1039 OE2 GLU A 68 10.808 7.161 8.257 1.00 0.00 O ATOM 0 H GLU A 68 10.497 5.467 4.470 1.00 0.00 H new ATOM 0 HA GLU A 68 8.701 7.354 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.416 7.880 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.541 8.984 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.197 6.232 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.470 7.434 5.883 1.00 0.00 H new ATOM 1046 N VAL A 69 9.513 7.811 1.988 1.00 0.00 N ATOM 1047 CA VAL A 69 9.061 8.417 0.741 1.00 0.00 C ATOM 1048 C VAL A 69 7.640 7.980 0.401 1.00 0.00 C ATOM 1049 O VAL A 69 6.831 8.777 -0.073 1.00 0.00 O ATOM 1050 CB VAL A 69 9.992 8.053 -0.430 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.489 8.671 -1.726 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.417 8.499 -0.136 1.00 0.00 C ATOM 0 H VAL A 69 10.387 7.291 1.912 1.00 0.00 H new ATOM 0 HA VAL A 69 9.081 9.497 0.889 1.00 0.00 H new ATOM 0 HB VAL A 69 9.991 6.969 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.160 8.402 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.488 8.298 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.458 9.756 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.061 8.234 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.437 9.579 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.774 8.004 0.767 1.00 0.00 H new ATOM 1062 N ALA A 70 7.344 6.708 0.647 1.00 0.00 N ATOM 1063 CA ALA A 70 6.020 6.165 0.369 1.00 0.00 C ATOM 1064 C ALA A 70 4.960 6.829 1.242 1.00 0.00 C ATOM 1065 O ALA A 70 3.904 7.233 0.755 1.00 0.00 O ATOM 1066 CB ALA A 70 6.012 4.658 0.580 1.00 0.00 C ATOM 0 H ALA A 70 8.003 6.035 1.038 1.00 0.00 H new ATOM 0 HA ALA A 70 5.780 6.376 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.017 4.266 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.735 4.193 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.278 4.434 1.613 1.00 0.00 H new ATOM 1072 N PHE A 71 5.248 6.937 2.535 1.00 0.00 N ATOM 1073 CA PHE A 71 4.319 7.550 3.477 1.00 0.00 C ATOM 1074 C PHE A 71 4.159 9.040 3.191 1.00 0.00 C ATOM 1075 O PHE A 71 3.047 9.529 2.993 1.00 0.00 O ATOM 1076 CB PHE A 71 4.805 7.343 4.913 1.00 0.00 C ATOM 1077 CG PHE A 71 4.611 5.941 5.416 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.347 5.376 5.461 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.693 5.189 5.843 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.165 4.086 5.922 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.518 3.898 6.306 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.252 3.346 6.346 1.00 0.00 C ATOM 0 H PHE A 71 6.118 6.608 2.954 1.00 0.00 H new ATOM 0 HA PHE A 71 3.348 7.069 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.863 7.598 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.275 8.033 5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.494 5.950 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.685 5.616 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.174 3.657 5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.370 3.322 6.636 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.112 2.338 6.708 1.00 0.00 H new ATOM 1092 N SER A 72 5.279 9.756 3.173 1.00 0.00 N ATOM 1093 CA SER A 72 5.264 11.192 2.916 1.00 0.00 C ATOM 1094 C SER A 72 4.580 11.499 1.587 1.00 0.00 C ATOM 1095 O SER A 72 3.663 12.317 1.523 1.00 0.00 O ATOM 1096 CB SER A 72 6.690 11.745 2.909 1.00 0.00 C ATOM 1097 OG SER A 72 6.692 13.148 2.709 1.00 0.00 O ATOM 0 H SER A 72 6.208 9.366 3.333 1.00 0.00 H new ATOM 0 HA SER A 72 4.700 11.673 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.180 11.508 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.267 11.261 2.121 1.00 0.00 H new ATOM 0 HG SER A 72 7.615 13.477 2.710 1.00 0.00 H new ATOM 1103 N SER A 73 5.034 10.836 0.528 1.00 0.00 N ATOM 1104 CA SER A 73 4.470 11.040 -0.801 1.00 0.00 C ATOM 1105 C SER A 73 2.949 11.142 -0.736 1.00 0.00 C ATOM 1106 O SER A 73 2.345 11.996 -1.384 1.00 0.00 O ATOM 1107 CB SER A 73 4.877 9.896 -1.732 1.00 0.00 C ATOM 1108 OG SER A 73 6.238 10.004 -2.109 1.00 0.00 O ATOM 0 H SER A 73 5.791 10.153 0.565 1.00 0.00 H new ATOM 0 HA SER A 73 4.863 11.977 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.709 8.941 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.248 9.906 -2.622 1.00 0.00 H new ATOM 0 HG SER A 73 6.391 9.493 -2.931 1.00 0.00 H new ATOM 1114 N ALA A 74 2.337 10.264 0.052 1.00 0.00 N ATOM 1115 CA ALA A 74 0.887 10.255 0.204 1.00 0.00 C ATOM 1116 C ALA A 74 0.417 11.437 1.045 1.00 0.00 C ATOM 1117 O ALA A 74 -0.284 12.321 0.553 1.00 0.00 O ATOM 1118 CB ALA A 74 0.430 8.945 0.828 1.00 0.00 C ATOM 0 H ALA A 74 2.823 9.550 0.595 1.00 0.00 H new ATOM 0 HA ALA A 74 0.441 10.347 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.655 8.952 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.726 8.114 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.891 8.829 1.809 1.00 0.00 H new ATOM 1124 N GLU A 75 0.806 11.445 2.317 1.00 0.00 N ATOM 1125 CA GLU A 75 0.421 12.518 3.226 1.00 0.00 C ATOM 1126 C GLU A 75 0.514 13.876 2.535 1.00 0.00 C ATOM 1127 O GLU A 75 -0.189 14.819 2.897 1.00 0.00 O ATOM 1128 CB GLU A 75 1.311 12.505 4.471 1.00 0.00 C ATOM 1129 CG GLU A 75 0.808 13.404 5.588 1.00 0.00 C ATOM 1130 CD GLU A 75 1.832 13.593 6.690 1.00 0.00 C ATOM 1131 OE1 GLU A 75 3.043 13.517 6.395 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.421 13.818 7.848 1.00 0.00 O ATOM 0 H GLU A 75 1.387 10.721 2.740 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.614 12.352 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.385 11.483 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.318 12.816 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.541 14.377 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.101 12.977 6.011 1.00 0.00 H new ATOM 1139 N THR A 76 1.388 13.967 1.538 1.00 0.00 N ATOM 1140 CA THR A 76 1.576 15.208 0.797 1.00 0.00 C ATOM 1141 C THR A 76 0.241 15.896 0.530 1.00 0.00 C ATOM 1142 O THR A 76 -0.044 16.956 1.086 1.00 0.00 O ATOM 1143 CB THR A 76 2.290 14.959 -0.545 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.462 14.164 -0.336 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.674 16.274 -1.206 1.00 0.00 C ATOM 0 H THR A 76 1.977 13.196 1.225 1.00 0.00 H new ATOM 0 HA THR A 76 2.198 15.855 1.416 1.00 0.00 H new ATOM 0 HB THR A 76 1.603 14.427 -1.203 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.477 13.841 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.177 16.073 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.776 16.864 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.344 16.829 -0.550 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.573 15.285 -0.325 1.00 0.00 N ATOM 1154 CA HIS A 77 -1.879 15.838 -0.665 1.00 0.00 C ATOM 1155 C HIS A 77 -3.000 14.927 -0.173 1.00 0.00 C ATOM 1156 O HIS A 77 -4.141 15.361 -0.016 1.00 0.00 O ATOM 1157 CB HIS A 77 -1.994 16.037 -2.177 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.201 15.048 -2.973 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.412 15.406 -4.046 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.075 13.706 -2.847 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.163 14.327 -4.547 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.223 13.282 -3.836 1.00 0.00 N ATOM 0 H HIS A 77 -0.351 14.407 -0.795 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.977 16.804 -0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.043 15.966 -2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.661 17.044 -2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.556 13.085 -2.106 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.834 14.303 -5.393 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.065 12.317 -3.996 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.666 13.664 0.068 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.644 12.693 0.543 1.00 0.00 C ATOM 1173 C ALA A 78 -3.801 12.768 2.058 1.00 0.00 C ATOM 1174 O ALA A 78 -4.776 12.265 2.616 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.240 11.288 0.121 1.00 0.00 C ATOM 0 H ALA A 78 -1.726 13.289 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.607 12.933 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.979 10.573 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.186 11.236 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.265 11.047 0.544 1.00 0.00 H new ATOM 1181 N ASP A 79 -2.835 13.398 2.717 1.00 0.00 N ATOM 1182 CA ASP A 79 -2.867 13.540 4.168 1.00 0.00 C ATOM 1183 C ASP A 79 -3.370 12.260 4.828 1.00 0.00 C ATOM 1184 O ASP A 79 -4.263 12.296 5.676 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.757 14.718 4.568 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.306 15.371 5.860 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.097 15.657 5.990 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.162 15.598 6.740 1.00 0.00 O ATOM 0 H ASP A 79 -2.020 13.818 2.270 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.850 13.730 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.754 15.460 3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.785 14.372 4.678 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.793 11.130 4.433 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.184 9.838 4.985 1.00 0.00 C ATOM 1195 C CYS A 80 -2.661 9.674 6.409 1.00 0.00 C ATOM 1196 O CYS A 80 -1.535 10.053 6.730 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.660 8.704 4.103 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.755 7.069 4.869 1.00 0.00 S ATOM 0 H CYS A 80 -2.053 11.083 3.733 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.273 9.796 5.010 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.227 8.691 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.622 8.911 3.842 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.607 6.469 4.755 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.499 9.097 7.284 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.143 8.871 8.688 1.00 0.00 C ATOM 1206 C PRO A 81 -2.076 7.794 8.850 1.00 0.00 C ATOM 1207 O PRO A 81 -2.390 6.608 8.950 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.462 8.417 9.319 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.240 7.832 8.191 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.856 8.622 6.970 1.00 0.00 C ATOM 0 HA PRO A 81 -2.718 9.762 9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.292 7.682 10.106 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.992 9.254 9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.006 6.775 8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.311 7.900 8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.868 8.005 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.542 9.451 6.796 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.816 8.215 8.875 1.00 0.00 N ATOM 1219 CA GLN A 82 0.297 7.285 9.024 1.00 0.00 C ATOM 1220 C GLN A 82 0.073 6.354 10.212 1.00 0.00 C ATOM 1221 O GLN A 82 0.237 6.753 11.366 1.00 0.00 O ATOM 1222 CB GLN A 82 1.609 8.051 9.202 1.00 0.00 C ATOM 1223 CG GLN A 82 2.098 8.723 7.930 1.00 0.00 C ATOM 1224 CD GLN A 82 3.330 9.577 8.157 1.00 0.00 C ATOM 1225 OE1 GLN A 82 4.145 9.290 9.034 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.472 10.634 7.366 1.00 0.00 N ATOM 0 H GLN A 82 -0.540 9.194 8.794 1.00 0.00 H new ATOM 0 HA GLN A 82 0.357 6.681 8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.476 8.808 9.975 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.376 7.363 9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.322 7.961 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.300 9.344 7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.772 10.834 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.281 11.246 7.472 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.303 5.114 9.922 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.550 4.126 10.966 1.00 0.00 C ATOM 1237 C LEU A 83 0.737 3.399 11.344 1.00 0.00 C ATOM 1238 O LEU A 83 1.190 3.470 12.487 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.602 3.116 10.502 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.867 3.705 9.877 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.722 2.606 9.266 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.661 4.485 10.915 1.00 0.00 C ATOM 0 H LEU A 83 -0.444 4.769 8.973 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.922 4.650 11.847 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.140 2.447 9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.893 2.506 11.357 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.571 4.391 9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.618 3.044 8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.153 2.090 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.009 1.895 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.558 4.897 10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.946 3.820 11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.049 5.297 11.306 1.00 0.00 H new ATOM 1254 N LEU A 84 1.321 2.701 10.376 1.00 0.00 N ATOM 1255 CA LEU A 84 2.558 1.963 10.606 1.00 0.00 C ATOM 1256 C LEU A 84 3.693 2.907 10.991 1.00 0.00 C ATOM 1257 O LEU A 84 3.882 3.952 10.368 1.00 0.00 O ATOM 1258 CB LEU A 84 2.941 1.169 9.356 1.00 0.00 C ATOM 1259 CG LEU A 84 1.834 0.317 8.736 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.062 0.148 7.242 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.758 -1.040 9.422 1.00 0.00 C ATOM 0 H LEU A 84 0.958 2.631 9.425 1.00 0.00 H new ATOM 0 HA LEU A 84 2.391 1.271 11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.299 1.869 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.777 0.516 9.607 1.00 0.00 H new ATOM 0 HG LEU A 84 0.883 0.830 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.264 -0.461 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.065 1.126 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.021 -0.342 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.964 -1.633 8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.710 -1.559 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.545 -0.900 10.482 1.00 0.00 H new ATOM 1273 N ASP A 85 4.446 2.531 12.018 1.00 0.00 N ATOM 1274 CA ASP A 85 5.564 3.342 12.484 1.00 0.00 C ATOM 1275 C ASP A 85 6.856 2.942 11.779 1.00 0.00 C ATOM 1276 O ASP A 85 7.552 2.022 12.208 1.00 0.00 O ATOM 1277 CB ASP A 85 5.730 3.199 13.998 1.00 0.00 C ATOM 1278 CG ASP A 85 6.307 4.447 14.637 1.00 0.00 C ATOM 1279 OD1 ASP A 85 7.405 4.873 14.222 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.661 4.997 15.553 1.00 0.00 O ATOM 0 H ASP A 85 4.302 1.669 12.544 1.00 0.00 H new ATOM 0 HA ASP A 85 5.349 4.384 12.247 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.762 2.978 14.448 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.381 2.351 14.211 1.00 0.00 H new ATOM 1285 N THR A 86 7.172 3.640 10.692 1.00 0.00 N ATOM 1286 CA THR A 86 8.378 3.357 9.925 1.00 0.00 C ATOM 1287 C THR A 86 9.536 2.980 10.842 1.00 0.00 C ATOM 1288 O THR A 86 10.166 1.938 10.664 1.00 0.00 O ATOM 1289 CB THR A 86 8.793 4.565 9.064 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.655 5.084 8.367 1.00 0.00 O ATOM 1291 CG2 THR A 86 9.870 4.173 8.064 1.00 0.00 C ATOM 0 H THR A 86 6.608 4.406 10.323 1.00 0.00 H new ATOM 0 HA THR A 86 8.147 2.516 9.271 1.00 0.00 H new ATOM 0 HB THR A 86 9.195 5.333 9.725 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.260 4.378 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.147 5.042 7.468 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.746 3.806 8.598 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.490 3.389 7.408 1.00 0.00 H new ATOM 1299 N GLU A 87 9.812 3.834 11.823 1.00 0.00 N ATOM 1300 CA GLU A 87 10.895 3.589 12.767 1.00 0.00 C ATOM 1301 C GLU A 87 10.882 2.140 13.245 1.00 0.00 C ATOM 1302 O GLU A 87 11.908 1.459 13.224 1.00 0.00 O ATOM 1303 CB GLU A 87 10.781 4.534 13.965 1.00 0.00 C ATOM 1304 CG GLU A 87 11.103 5.981 13.632 1.00 0.00 C ATOM 1305 CD GLU A 87 12.594 6.252 13.590 1.00 0.00 C ATOM 1306 OE1 GLU A 87 13.364 5.299 13.346 1.00 0.00 O ATOM 1307 OE2 GLU A 87 12.991 7.417 13.800 1.00 0.00 O ATOM 0 H GLU A 87 9.300 4.701 11.984 1.00 0.00 H new ATOM 0 HA GLU A 87 11.839 3.776 12.255 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.769 4.479 14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.454 4.193 14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.664 6.234 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.640 6.632 14.373 1.00 0.00 H new ATOM 1314 N ASP A 88 9.715 1.676 13.676 1.00 0.00 N ATOM 1315 CA ASP A 88 9.567 0.308 14.159 1.00 0.00 C ATOM 1316 C ASP A 88 9.547 -0.680 12.997 1.00 0.00 C ATOM 1317 O ASP A 88 9.991 -1.820 13.131 1.00 0.00 O ATOM 1318 CB ASP A 88 8.286 0.171 14.984 1.00 0.00 C ATOM 1319 CG ASP A 88 8.225 1.163 16.128 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.244 1.318 16.834 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.159 1.785 16.318 1.00 0.00 O ATOM 0 H ASP A 88 8.857 2.227 13.701 1.00 0.00 H new ATOM 0 HA ASP A 88 10.424 0.078 14.792 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.422 0.316 14.335 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.220 -0.842 15.381 1.00 0.00 H new ATOM 1326 N MET A 89 9.028 -0.234 11.857 1.00 0.00 N ATOM 1327 CA MET A 89 8.951 -1.079 10.671 1.00 0.00 C ATOM 1328 C MET A 89 10.343 -1.502 10.213 1.00 0.00 C ATOM 1329 O MET A 89 10.577 -2.670 9.903 1.00 0.00 O ATOM 1330 CB MET A 89 8.230 -0.343 9.541 1.00 0.00 C ATOM 1331 CG MET A 89 6.806 0.061 9.889 1.00 0.00 C ATOM 1332 SD MET A 89 5.636 -1.300 9.714 1.00 0.00 S ATOM 1333 CE MET A 89 5.365 -1.287 7.943 1.00 0.00 C ATOM 0 H MET A 89 8.655 0.707 11.730 1.00 0.00 H new ATOM 0 HA MET A 89 8.386 -1.975 10.929 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.798 0.550 9.279 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.212 -0.980 8.657 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.777 0.430 10.914 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.498 0.885 9.245 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.433 -1.803 7.714 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.305 -0.257 7.592 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.192 -1.793 7.445 1.00 0.00 H new ATOM 1343 N VAL A 90 11.263 -0.544 10.171 1.00 0.00 N ATOM 1344 CA VAL A 90 12.632 -0.817 9.751 1.00 0.00 C ATOM 1345 C VAL A 90 13.237 -1.961 10.557 1.00 0.00 C ATOM 1346 O VAL A 90 13.490 -3.042 10.025 1.00 0.00 O ATOM 1347 CB VAL A 90 13.525 0.429 9.901 1.00 0.00 C ATOM 1348 CG1 VAL A 90 14.995 0.041 9.862 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.205 1.447 8.816 1.00 0.00 C ATOM 0 H VAL A 90 11.085 0.428 10.423 1.00 0.00 H new ATOM 0 HA VAL A 90 12.589 -1.100 8.699 1.00 0.00 H new ATOM 0 HB VAL A 90 13.321 0.887 10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.610 0.934 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.211 -0.649 10.678 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.219 -0.441 8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.845 2.321 8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.380 1.002 7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.161 1.748 8.896 1.00 0.00 H new ATOM 1359 N ARG A 91 13.465 -1.716 11.843 1.00 0.00 N ATOM 1360 CA ARG A 91 14.041 -2.726 12.723 1.00 0.00 C ATOM 1361 C ARG A 91 13.243 -4.025 12.654 1.00 0.00 C ATOM 1362 O ARG A 91 13.815 -5.112 12.556 1.00 0.00 O ATOM 1363 CB ARG A 91 14.080 -2.214 14.164 1.00 0.00 C ATOM 1364 CG ARG A 91 12.754 -1.649 14.645 1.00 0.00 C ATOM 1365 CD ARG A 91 12.841 -1.176 16.088 1.00 0.00 C ATOM 1366 NE ARG A 91 12.810 -2.289 17.032 1.00 0.00 N ATOM 1367 CZ ARG A 91 11.689 -2.845 17.478 1.00 0.00 C ATOM 1368 NH1 ARG A 91 10.512 -2.393 17.066 1.00 0.00 N ATOM 1369 NH2 ARG A 91 11.743 -3.856 18.336 1.00 0.00 N ATOM 0 H ARG A 91 13.260 -0.827 12.299 1.00 0.00 H new ATOM 0 HA ARG A 91 15.059 -2.927 12.389 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.378 -3.030 14.823 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.845 -1.442 14.246 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.458 -0.817 14.006 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.979 -2.411 14.557 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.760 -0.607 16.228 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.013 -0.499 16.298 1.00 0.00 H new ATOM 0 HE ARG A 91 13.699 -2.660 17.368 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.466 -1.617 16.405 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.652 -2.821 17.410 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.646 -4.207 18.654 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.881 -4.282 18.677 1.00 0.00 H new ATOM 1383 N LEU A 92 11.922 -3.905 12.706 1.00 0.00 N ATOM 1384 CA LEU A 92 11.045 -5.070 12.650 1.00 0.00 C ATOM 1385 C LEU A 92 11.339 -5.914 11.414 1.00 0.00 C ATOM 1386 O LEU A 92 11.183 -5.452 10.283 1.00 0.00 O ATOM 1387 CB LEU A 92 9.580 -4.630 12.645 1.00 0.00 C ATOM 1388 CG LEU A 92 9.004 -4.198 13.994 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.725 -3.398 13.797 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.746 -5.410 14.876 1.00 0.00 C ATOM 0 H LEU A 92 11.434 -3.013 12.787 1.00 0.00 H new ATOM 0 HA LEU A 92 11.232 -5.678 13.535 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.473 -3.802 11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.976 -5.452 12.261 1.00 0.00 H new ATOM 0 HG LEU A 92 9.734 -3.560 14.492 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.330 -3.099 14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.939 -2.509 13.203 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.988 -4.012 13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.336 -5.084 15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.035 -6.073 14.384 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.682 -5.943 15.045 1.00 0.00 H new ATOM 1402 N ARG A 93 11.763 -7.153 11.637 1.00 0.00 N ATOM 1403 CA ARG A 93 12.077 -8.062 10.542 1.00 0.00 C ATOM 1404 C ARG A 93 11.092 -7.887 9.390 1.00 0.00 C ATOM 1405 O ARG A 93 11.485 -7.853 8.224 1.00 0.00 O ATOM 1406 CB ARG A 93 12.054 -9.512 11.031 1.00 0.00 C ATOM 1407 CG ARG A 93 12.993 -10.428 10.263 1.00 0.00 C ATOM 1408 CD ARG A 93 12.387 -10.863 8.938 1.00 0.00 C ATOM 1409 NE ARG A 93 13.388 -11.427 8.037 1.00 0.00 N ATOM 1410 CZ ARG A 93 13.146 -11.733 6.767 1.00 0.00 C ATOM 1411 NH1 ARG A 93 11.941 -11.530 6.252 1.00 0.00 N ATOM 1412 NH2 ARG A 93 14.109 -12.243 6.010 1.00 0.00 N ATOM 0 H ARG A 93 11.897 -7.551 12.567 1.00 0.00 H new ATOM 0 HA ARG A 93 13.077 -7.823 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.321 -9.535 12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.038 -9.898 10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.937 -9.914 10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.220 -11.307 10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.607 -11.602 9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.910 -10.008 8.460 1.00 0.00 H new ATOM 0 HE ARG A 93 14.325 -11.595 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.198 -11.138 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.757 -11.765 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.037 -12.401 6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.921 -12.477 5.035 1.00 0.00 H new ATOM 1426 N GLU A 94 9.810 -7.777 9.726 1.00 0.00 N ATOM 1427 CA GLU A 94 8.769 -7.607 8.719 1.00 0.00 C ATOM 1428 C GLU A 94 7.469 -7.125 9.357 1.00 0.00 C ATOM 1429 O GLU A 94 7.121 -7.500 10.476 1.00 0.00 O ATOM 1430 CB GLU A 94 8.528 -8.923 7.976 1.00 0.00 C ATOM 1431 CG GLU A 94 7.642 -9.897 8.734 1.00 0.00 C ATOM 1432 CD GLU A 94 8.362 -10.559 9.893 1.00 0.00 C ATOM 1433 OE1 GLU A 94 9.259 -11.390 9.636 1.00 0.00 O ATOM 1434 OE2 GLU A 94 8.030 -10.247 11.055 1.00 0.00 O ATOM 0 H GLU A 94 9.468 -7.803 10.687 1.00 0.00 H new ATOM 0 HA GLU A 94 9.106 -6.853 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.072 -8.707 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.488 -9.399 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.766 -9.369 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.282 -10.664 8.049 1.00 0.00 H new ATOM 1441 N PRO A 95 6.734 -6.272 8.628 1.00 0.00 N ATOM 1442 CA PRO A 95 5.462 -5.719 9.101 1.00 0.00 C ATOM 1443 C PRO A 95 4.359 -6.771 9.161 1.00 0.00 C ATOM 1444 O PRO A 95 4.114 -7.483 8.187 1.00 0.00 O ATOM 1445 CB PRO A 95 5.127 -4.653 8.055 1.00 0.00 C ATOM 1446 CG PRO A 95 5.832 -5.099 6.820 1.00 0.00 C ATOM 1447 CD PRO A 95 7.089 -5.782 7.285 1.00 0.00 C ATOM 0 HA PRO A 95 5.540 -5.330 10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.051 -4.582 7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.468 -3.667 8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.210 -5.780 6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.064 -4.251 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.372 -6.599 6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.932 -5.092 7.319 1.00 0.00 H new ATOM 1455 N ASP A 96 3.698 -6.862 10.309 1.00 0.00 N ATOM 1456 CA ASP A 96 2.620 -7.827 10.496 1.00 0.00 C ATOM 1457 C ASP A 96 1.433 -7.496 9.595 1.00 0.00 C ATOM 1458 O ASP A 96 0.847 -6.419 9.696 1.00 0.00 O ATOM 1459 CB ASP A 96 2.174 -7.850 11.959 1.00 0.00 C ATOM 1460 CG ASP A 96 2.225 -6.477 12.601 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.303 -6.096 13.103 1.00 0.00 O ATOM 1462 OD2 ASP A 96 1.187 -5.784 12.600 1.00 0.00 O ATOM 0 H ASP A 96 3.889 -6.280 11.124 1.00 0.00 H new ATOM 0 HA ASP A 96 2.997 -8.813 10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.158 -8.239 12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.811 -8.534 12.519 1.00 0.00 H new ATOM 1467 N TRP A 97 1.087 -8.429 8.716 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.029 -8.236 7.797 1.00 0.00 C ATOM 1469 C TRP A 97 -1.212 -7.585 8.505 1.00 0.00 C ATOM 1470 O TRP A 97 -1.799 -6.627 8.003 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.455 -9.575 7.192 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.817 -10.604 8.220 1.00 0.00 C ATOM 1473 CD1 TRP A 97 0.020 -11.516 8.797 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.111 -10.826 8.791 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.676 -12.292 9.692 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.985 -11.888 9.708 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.363 -10.230 8.619 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.064 -12.365 10.447 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.433 -10.705 9.353 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.278 -11.763 10.258 1.00 0.00 C ATOM 0 H TRP A 97 1.563 -9.326 8.620 1.00 0.00 H new ATOM 0 HA TRP A 97 0.302 -7.572 6.998 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.309 -9.413 6.534 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.355 -9.960 6.573 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.074 -11.613 8.581 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.282 -13.047 10.254 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.492 -9.413 7.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.947 -13.181 11.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.406 -10.253 9.227 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.134 -12.110 10.818 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.557 -8.111 9.676 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.669 -7.580 10.455 1.00 0.00 C ATOM 1493 C LYS A 98 -2.689 -6.056 10.407 1.00 0.00 C ATOM 1494 O LYS A 98 -3.745 -5.444 10.239 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.574 -8.054 11.907 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.684 -9.561 12.064 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.638 -9.974 13.525 1.00 0.00 C ATOM 1498 CE LYS A 98 -2.288 -11.446 13.678 1.00 0.00 C ATOM 1499 NZ LYS A 98 -0.885 -11.728 13.266 1.00 0.00 N ATOM 0 H LYS A 98 -1.082 -8.905 10.106 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.596 -7.952 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.625 -7.722 12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.364 -7.578 12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.615 -9.907 11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.871 -10.044 11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.902 -9.367 14.053 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.604 -9.779 13.990 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.429 -11.747 14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.971 -12.046 13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.574 -12.627 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.834 -11.794 12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.266 -10.960 13.595 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.517 -5.449 10.553 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.400 -3.995 10.525 1.00 0.00 C ATOM 1515 C CYS A 99 -1.407 -3.477 9.091 1.00 0.00 C ATOM 1516 O CYS A 99 -2.289 -2.712 8.701 1.00 0.00 O ATOM 1517 CB CYS A 99 -0.119 -3.552 11.234 1.00 0.00 C ATOM 1518 SG CYS A 99 -0.291 -3.369 13.025 1.00 0.00 S ATOM 0 H CYS A 99 -0.634 -5.941 10.692 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.260 -3.576 11.048 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.667 -4.278 11.028 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.207 -2.601 10.812 1.00 0.00 H new ATOM 0 HG CYS A 99 0.272 -4.378 13.620 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.417 -3.896 8.310 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.308 -3.474 6.919 1.00 0.00 C ATOM 1526 C VAL A 100 -1.681 -3.396 6.260 1.00 0.00 C ATOM 1527 O VAL A 100 -2.112 -2.328 5.824 1.00 0.00 O ATOM 1528 CB VAL A 100 0.584 -4.433 6.109 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.637 -4.009 4.649 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.982 -4.492 6.706 1.00 0.00 C ATOM 0 H VAL A 100 0.322 -4.528 8.617 1.00 0.00 H new ATOM 0 HA VAL A 100 0.147 -2.484 6.923 1.00 0.00 H new ATOM 0 HB VAL A 100 0.150 -5.432 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.272 -4.699 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.369 -4.023 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.046 -3.001 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.599 -5.174 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.427 -3.497 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.924 -4.847 7.735 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.363 -4.534 6.190 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.687 -4.595 5.583 1.00 0.00 C ATOM 1542 C TYR A 101 -4.503 -3.353 5.927 1.00 0.00 C ATOM 1543 O TYR A 101 -5.215 -2.809 5.082 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.427 -5.850 6.048 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.929 -5.756 5.903 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.682 -4.970 6.766 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.595 -6.453 4.903 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.055 -4.881 6.638 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.967 -6.370 4.766 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.693 -5.583 5.636 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.060 -5.497 5.504 1.00 0.00 O ATOM 0 H TYR A 101 -2.021 -5.426 6.546 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.561 -4.636 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.068 -6.706 5.476 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.182 -6.039 7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.186 -4.419 7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.030 -7.071 4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.625 -4.266 7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.469 -6.918 3.982 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.281 -4.838 4.813 1.00 0.00 H new ATOM 1561 N THR A 102 -4.393 -2.908 7.175 1.00 0.00 N ATOM 1562 CA THR A 102 -5.119 -1.730 7.633 1.00 0.00 C ATOM 1563 C THR A 102 -4.766 -0.506 6.796 1.00 0.00 C ATOM 1564 O THR A 102 -5.647 0.171 6.266 1.00 0.00 O ATOM 1565 CB THR A 102 -4.823 -1.429 9.114 1.00 0.00 C ATOM 1566 OG1 THR A 102 -5.045 -2.601 9.906 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.700 -0.294 9.621 1.00 0.00 C ATOM 0 H THR A 102 -3.808 -3.346 7.887 1.00 0.00 H new ATOM 0 HA THR A 102 -6.181 -1.949 7.520 1.00 0.00 H new ATOM 0 HB THR A 102 -3.779 -1.126 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.283 -3.210 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.473 -0.099 10.669 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.507 0.605 9.035 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.749 -0.573 9.523 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.472 -0.228 6.681 1.00 0.00 N ATOM 1576 CA TYR A 103 -3.002 0.917 5.909 1.00 0.00 C ATOM 1577 C TYR A 103 -3.524 0.859 4.477 1.00 0.00 C ATOM 1578 O TYR A 103 -4.032 1.849 3.949 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.474 0.964 5.906 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.906 2.167 5.187 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.670 2.135 3.818 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.605 3.335 5.877 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.151 3.231 3.157 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.087 4.437 5.224 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.138 4.380 3.864 1.00 0.00 C ATOM 1586 OH TYR A 103 0.655 5.474 3.210 1.00 0.00 O ATOM 0 H TYR A 103 -2.730 -0.779 7.112 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.385 1.823 6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.117 0.965 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.092 0.057 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.896 1.238 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.779 3.382 6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.028 3.189 2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.140 5.338 5.775 1.00 0.00 H new ATOM 0 HH TYR A 103 0.801 6.200 3.852 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.393 -0.307 3.854 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.852 -0.496 2.483 1.00 0.00 C ATOM 1598 C ILE A 104 -5.308 -0.071 2.327 1.00 0.00 C ATOM 1599 O ILE A 104 -5.661 0.634 1.383 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.706 -1.963 2.037 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.252 -2.417 2.171 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.191 -2.132 0.605 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.315 -1.743 1.193 1.00 0.00 C ATOM 0 H ILE A 104 -2.973 -1.135 4.276 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.223 0.131 1.851 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.322 -2.587 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.910 -2.217 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.202 -3.496 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.081 -3.174 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.240 -1.844 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.599 -1.499 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.301 -2.114 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.632 -1.964 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.335 -0.665 1.354 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.148 -0.504 3.262 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.567 -0.167 3.229 1.00 0.00 C ATOM 1617 C GLN A 105 -7.782 1.311 3.534 1.00 0.00 C ATOM 1618 O GLN A 105 -8.546 1.991 2.849 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.340 -1.025 4.231 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.849 -0.927 4.080 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.562 -2.198 4.499 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.891 -3.042 3.666 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -10.804 -2.340 5.797 1.00 0.00 N ATOM 0 H GLN A 105 -5.871 -1.088 4.051 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.940 -0.370 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.038 -2.066 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.064 -0.725 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.217 -0.094 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.093 -0.704 3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.513 -1.614 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.281 -3.175 6.139 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.104 1.802 4.566 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.224 3.201 4.962 1.00 0.00 C ATOM 1634 C GLU A 106 -6.930 4.126 3.785 1.00 0.00 C ATOM 1635 O GLU A 106 -7.712 5.026 3.478 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.271 3.510 6.119 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.344 4.949 6.600 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.767 5.410 6.848 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.552 4.626 7.422 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.096 6.553 6.469 1.00 0.00 O ATOM 0 H GLU A 106 -6.467 1.253 5.143 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.249 3.373 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.498 2.845 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.250 3.292 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.768 5.050 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.879 5.600 5.859 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.796 3.899 3.131 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.396 4.713 1.988 1.00 0.00 C ATOM 1649 C PHE A 107 -6.405 4.586 0.851 1.00 0.00 C ATOM 1650 O PHE A 107 -6.952 5.582 0.377 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.007 4.299 1.501 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.357 5.316 0.607 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.352 6.658 0.951 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.751 4.930 -0.578 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.755 7.597 0.130 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.152 5.864 -1.402 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.155 7.199 -1.048 1.00 0.00 C ATOM 0 H PHE A 107 -5.137 3.158 3.372 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.365 5.754 2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.365 4.123 2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.086 3.353 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.820 6.975 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.747 3.888 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.758 8.640 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.682 5.550 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.689 7.930 -1.692 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.647 3.354 0.417 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.587 3.095 -0.667 1.00 0.00 C ATOM 1669 C TYR A 108 -8.863 3.912 -0.487 1.00 0.00 C ATOM 1670 O TYR A 108 -9.342 4.551 -1.424 1.00 0.00 O ATOM 1671 CB TYR A 108 -7.926 1.605 -0.731 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.003 1.273 -1.739 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.346 1.468 -1.441 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.677 0.763 -2.990 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.333 1.164 -2.359 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.657 0.458 -3.915 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.984 0.660 -3.594 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.964 0.358 -4.512 1.00 0.00 O ATOM 0 H TYR A 108 -6.205 2.518 0.800 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.115 3.393 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.024 1.046 -0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.248 1.271 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.623 1.864 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.640 0.602 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.372 1.320 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.386 0.064 -4.883 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.732 0.951 -4.378 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.409 3.885 0.725 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.630 4.622 1.029 1.00 0.00 C ATOM 1690 C ARG A 109 -10.449 6.112 0.752 1.00 0.00 C ATOM 1691 O ARG A 109 -11.385 6.793 0.331 1.00 0.00 O ATOM 1692 CB ARG A 109 -11.029 4.409 2.490 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.414 4.937 2.827 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.902 4.405 4.165 1.00 0.00 C ATOM 1695 NE ARG A 109 -14.302 4.742 4.410 1.00 0.00 N ATOM 1696 CZ ARG A 109 -15.322 4.051 3.915 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -15.100 2.989 3.152 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -16.568 4.420 4.183 1.00 0.00 N ATOM 0 H ARG A 109 -9.025 3.361 1.512 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.423 4.244 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.991 3.343 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.297 4.898 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.393 6.026 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.115 4.650 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.780 3.322 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.285 4.815 4.965 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.507 5.553 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.144 2.701 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.886 2.460 2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.743 5.236 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.351 3.888 3.802 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.242 6.610 0.991 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.939 8.020 0.768 1.00 0.00 C ATOM 1714 C CYS A 110 -8.844 8.327 -0.723 1.00 0.00 C ATOM 1715 O CYS A 110 -9.211 9.414 -1.168 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.630 8.398 1.464 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.543 7.891 3.197 1.00 0.00 S ATOM 0 H CYS A 110 -8.457 6.060 1.339 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.751 8.612 1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.799 7.946 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.499 9.478 1.406 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.957 6.664 3.312 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.346 7.362 -1.489 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.201 7.529 -2.931 1.00 0.00 C ATOM 1725 C LEU A 111 -9.563 7.640 -3.607 1.00 0.00 C ATOM 1726 O LEU A 111 -9.780 8.509 -4.451 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.419 6.355 -3.524 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.071 6.048 -2.870 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.488 4.760 -3.428 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.104 7.205 -3.072 1.00 0.00 C ATOM 0 H LEU A 111 -8.036 6.457 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.651 8.453 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.041 5.462 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.250 6.554 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.230 5.917 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.529 4.558 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.173 3.935 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.344 4.862 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.150 6.969 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.950 7.369 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.518 8.108 -2.622 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.480 6.755 -3.228 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.823 6.755 -3.795 1.00 0.00 C ATOM 1744 C VAL A 112 -12.450 8.143 -3.723 1.00 0.00 C ATOM 1745 O VAL A 112 -13.270 8.509 -4.565 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.739 5.752 -3.069 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.154 5.822 -3.623 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.182 4.341 -3.185 1.00 0.00 C ATOM 0 H VAL A 112 -10.317 6.029 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.726 6.457 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.775 6.019 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.786 5.106 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.550 6.828 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.141 5.582 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.842 3.646 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.115 4.062 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.190 4.303 -2.735 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.058 8.911 -2.712 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.582 10.260 -2.529 1.00 0.00 C ATOM 1760 C GLN A 113 -12.004 11.213 -3.570 1.00 0.00 C ATOM 1761 O GLN A 113 -12.743 11.866 -4.308 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.263 10.768 -1.122 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.030 10.047 -0.026 1.00 0.00 C ATOM 1764 CD GLN A 113 -12.685 10.554 1.359 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -11.574 11.027 1.601 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -13.637 10.459 2.280 1.00 0.00 N ATOM 0 H GLN A 113 -11.380 8.623 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.664 10.223 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.194 10.658 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.487 11.833 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.100 10.168 -0.197 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.817 8.979 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.544 10.060 2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.461 10.785 3.231 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.679 11.290 -3.625 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.001 12.163 -4.575 1.00 0.00 C ATOM 1777 C LYS A 114 -10.501 11.914 -5.995 1.00 0.00 C ATOM 1778 O LYS A 114 -10.494 12.815 -6.832 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.487 11.944 -4.511 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.791 12.810 -3.476 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.859 12.189 -2.091 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.672 11.274 -1.832 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.711 10.688 -0.464 1.00 0.00 N ATOM 0 H LYS A 114 -10.053 10.757 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.224 13.195 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.289 10.896 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.057 12.148 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.749 12.952 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.253 13.797 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.883 12.977 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.785 11.623 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.664 10.472 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.746 11.835 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.394 9.698 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.083 11.229 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.683 10.727 -0.097 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.935 10.685 -6.258 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.434 10.341 -7.577 1.00 0.00 C ATOM 1799 C GLY A 115 -10.423 9.561 -8.394 1.00 0.00 C ATOM 1800 O GLY A 115 -10.437 9.611 -9.624 1.00 0.00 O ATOM 0 H GLY A 115 -10.950 9.922 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.346 9.753 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.701 11.253 -8.110 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.541 8.840 -7.709 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.516 8.047 -8.379 1.00 0.00 C ATOM 1806 C LEU A 116 -9.046 6.662 -8.735 1.00 0.00 C ATOM 1807 O LEU A 116 -9.027 6.258 -9.898 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.279 7.921 -7.490 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.317 9.109 -7.504 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.387 9.058 -6.302 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.516 9.131 -8.798 1.00 0.00 C ATOM 0 H LEU A 116 -9.515 8.788 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.241 8.558 -9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.609 7.759 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.728 7.030 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.903 10.026 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.710 9.912 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.975 9.091 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.808 8.135 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.836 9.983 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.941 8.209 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.196 9.216 -9.645 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.519 5.938 -7.725 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.057 4.599 -7.931 1.00 0.00 C ATOM 1825 C VAL A 117 -11.474 4.655 -8.491 1.00 0.00 C ATOM 1826 O VAL A 117 -12.379 5.209 -7.867 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.067 3.790 -6.620 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.624 2.395 -6.857 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.669 3.721 -6.026 1.00 0.00 C ATOM 0 H VAL A 117 -9.540 6.257 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.405 4.104 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.716 4.297 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.623 1.839 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.644 2.470 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.005 1.875 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.695 3.146 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.996 3.238 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.312 4.730 -5.817 1.00 0.00 H new