USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 572 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 91 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 34 THR OG1 : rot 80:sc= 0.768 USER MOD Set 2.3: A 43 TYR OH : rot -98:sc= 1.19 USER MOD Set 2.4: A 83 HIS : no HE2:sc= -3.27! C(o=-1.3!,f=-13!) USER MOD Set 3.1: A 6 ASN : amide:sc= -0.746 K(o=-1.5,f=-0.76) USER MOD Set 3.2: A 9 ASN : amide:sc= -0.761 K(o=-1.5,f=-5.5!) USER MOD Set 4.1: A 8 LYS NZ :NH3+ -164:sc= -0.682 (180deg=-3.21!) USER MOD Set 4.2: A 22 GLN : amide:sc= -2.47! K(o=-3.1!,f=-8.1) USER MOD Single : A 2 SER OG : rot 38:sc= 0.0557 USER MOD Single : A 4 MET CE :methyl -174:sc= 0 (180deg=-0.00112) USER MOD Single : A 5 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.2!) USER MOD Single : A 12 HIS : no HE2:sc= -0.0843 K(o=-0.084,f=-1.4) USER MOD Single : A 17 SER OG : rot 61:sc= 0.644 USER MOD Single : A 19 TYR OH : rot -39:sc= 0.499 USER MOD Single : A 20 MET CE :methyl 140:sc= -0.155 (180deg=-1.24) USER MOD Single : A 21 SER OG : rot 160:sc= -0.321 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.37) USER MOD Single : A 35 THR OG1 : rot 76:sc= 0.903 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -44:sc= 0.871 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc=-0.00147 (180deg=-0.0975) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= 1.27 (180deg=0.118) USER MOD Single : A 88 CYS SG : rot -72:sc= 0.772 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 147:sc= 1.15 (180deg=0.309) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -3.198 -6.100 -0.240 1.00 61.33 N ATOM 21 CA SER A 2 -3.066 -5.124 -1.327 1.00 11.35 C ATOM 22 C SER A 2 -3.947 -5.484 -2.527 1.00 63.53 C ATOM 23 O SER A 2 -3.923 -6.613 -3.032 1.00 71.12 O ATOM 24 CB SER A 2 -1.603 -5.014 -1.779 1.00 31.44 C ATOM 25 OG SER A 2 -0.761 -4.620 -0.706 1.00 11.22 O ATOM 0 HA SER A 2 -3.400 -4.163 -0.936 1.00 11.35 H new ATOM 0 HB2 SER A 2 -1.269 -5.974 -2.173 1.00 31.44 H new ATOM 0 HB3 SER A 2 -1.524 -4.291 -2.591 1.00 31.44 H new ATOM 0 HG SER A 2 -1.057 -5.058 0.120 1.00 11.22 H new ATOM 31 N TRP A 3 -4.702 -4.500 -3.005 1.00 72.12 N ATOM 32 CA TRP A 3 -5.554 -4.676 -4.184 1.00 35.30 C ATOM 33 C TRP A 3 -4.758 -5.228 -5.379 1.00 34.13 C ATOM 34 O TRP A 3 -5.330 -5.801 -6.298 1.00 35.32 O ATOM 35 CB TRP A 3 -6.224 -3.345 -4.554 1.00 1.54 C ATOM 36 CG TRP A 3 -7.145 -2.830 -3.483 1.00 64.40 C ATOM 37 CD1 TRP A 3 -8.491 -3.042 -3.391 1.00 3.24 C ATOM 38 CD2 TRP A 3 -6.790 -2.023 -2.349 1.00 1.31 C ATOM 39 NE1 TRP A 3 -8.993 -2.414 -2.280 1.00 31.12 N ATOM 40 CE2 TRP A 3 -7.972 -1.784 -1.624 1.00 54.01 C ATOM 41 CE3 TRP A 3 -5.591 -1.477 -1.878 1.00 51.45 C ATOM 42 CZ2 TRP A 3 -7.992 -1.029 -0.455 1.00 42.35 C ATOM 43 CZ3 TRP A 3 -5.612 -0.727 -0.714 1.00 40.34 C ATOM 44 CH2 TRP A 3 -6.805 -0.509 -0.016 1.00 54.13 C ATOM 0 H TRP A 3 -4.743 -3.567 -2.594 1.00 72.12 H new ATOM 0 HA TRP A 3 -6.324 -5.406 -3.936 1.00 35.30 H new ATOM 0 HB2 TRP A 3 -5.453 -2.600 -4.751 1.00 1.54 H new ATOM 0 HB3 TRP A 3 -6.787 -3.473 -5.478 1.00 1.54 H new ATOM 0 HD1 TRP A 3 -9.075 -3.620 -4.091 1.00 3.24 H new ATOM 0 HE1 TRP A 3 -9.971 -2.416 -1.990 1.00 31.12 H new ATOM 0 HE3 TRP A 3 -4.666 -1.637 -2.412 1.00 51.45 H new ATOM 0 HZ2 TRP A 3 -8.911 -0.860 0.086 1.00 42.35 H new ATOM 0 HZ3 TRP A 3 -4.692 -0.303 -0.339 1.00 40.34 H new ATOM 0 HH2 TRP A 3 -6.789 0.082 0.888 1.00 54.13 H new ATOM 55 N MET A 4 -3.435 -5.066 -5.345 1.00 21.22 N ATOM 56 CA MET A 4 -2.552 -5.613 -6.382 1.00 14.34 C ATOM 57 C MET A 4 -2.616 -7.153 -6.435 1.00 61.45 C ATOM 58 O MET A 4 -2.679 -7.740 -7.517 1.00 64.31 O ATOM 59 CB MET A 4 -1.114 -5.147 -6.145 1.00 1.25 C ATOM 60 CG MET A 4 -0.966 -3.632 -6.175 1.00 51.23 C ATOM 61 SD MET A 4 -1.524 -2.922 -7.738 1.00 65.43 S ATOM 62 CE MET A 4 -1.269 -1.174 -7.438 1.00 30.12 C ATOM 0 H MET A 4 -2.947 -4.558 -4.607 1.00 21.22 H new ATOM 0 HA MET A 4 -2.898 -5.239 -7.346 1.00 14.34 H new ATOM 0 HB2 MET A 4 -0.771 -5.521 -5.180 1.00 1.25 H new ATOM 0 HB3 MET A 4 -0.466 -5.585 -6.905 1.00 1.25 H new ATOM 0 HG2 MET A 4 -1.538 -3.197 -5.356 1.00 51.23 H new ATOM 0 HG3 MET A 4 0.079 -3.368 -6.010 1.00 51.23 H new ATOM 0 HE1 MET A 4 -1.668 -0.599 -8.274 1.00 30.12 H new ATOM 0 HE2 MET A 4 -1.781 -0.884 -6.521 1.00 30.12 H new ATOM 0 HE3 MET A 4 -0.202 -0.974 -7.337 1.00 30.12 H new ATOM 72 N GLN A 5 -2.602 -7.814 -5.271 1.00 42.24 N ATOM 73 CA GLN A 5 -2.776 -9.271 -5.240 1.00 74.12 C ATOM 74 C GLN A 5 -4.206 -9.625 -5.660 1.00 13.25 C ATOM 75 O GLN A 5 -4.436 -10.617 -6.360 1.00 52.35 O ATOM 76 CB GLN A 5 -2.462 -9.867 -3.854 1.00 53.40 C ATOM 77 CG GLN A 5 -3.483 -9.546 -2.764 1.00 63.20 C ATOM 78 CD GLN A 5 -3.241 -10.310 -1.468 1.00 71.43 C ATOM 79 OE1 GLN A 5 -4.175 -10.624 -0.733 1.00 44.14 O ATOM 80 NE2 GLN A 5 -1.991 -10.600 -1.162 1.00 22.42 N ATOM 0 H GLN A 5 -2.475 -7.376 -4.359 1.00 42.24 H new ATOM 0 HA GLN A 5 -2.065 -9.707 -5.942 1.00 74.12 H new ATOM 0 HB2 GLN A 5 -2.385 -10.950 -3.950 1.00 53.40 H new ATOM 0 HB3 GLN A 5 -1.485 -9.505 -3.533 1.00 53.40 H new ATOM 0 HG2 GLN A 5 -3.459 -8.476 -2.557 1.00 63.20 H new ATOM 0 HG3 GLN A 5 -4.482 -9.777 -3.133 1.00 63.20 H new ATOM 0 HE21 GLN A 5 -1.236 -10.327 -1.791 1.00 22.42 H new ATOM 0 HE22 GLN A 5 -1.780 -11.097 -0.297 1.00 22.42 H new ATOM 89 N ASN A 6 -5.159 -8.784 -5.244 1.00 43.45 N ATOM 90 CA ASN A 6 -6.562 -8.934 -5.649 1.00 11.20 C ATOM 91 C ASN A 6 -6.718 -8.795 -7.178 1.00 11.04 C ATOM 92 O ASN A 6 -7.569 -9.441 -7.786 1.00 33.21 O ATOM 93 CB ASN A 6 -7.432 -7.895 -4.924 1.00 32.02 C ATOM 94 CG ASN A 6 -8.906 -7.973 -5.292 1.00 3.51 C ATOM 95 OD1 ASN A 6 -9.609 -6.969 -5.284 1.00 42.20 O ATOM 96 ND2 ASN A 6 -9.392 -9.157 -5.612 1.00 73.43 N ATOM 0 H ASN A 6 -4.985 -7.991 -4.626 1.00 43.45 H new ATOM 0 HA ASN A 6 -6.894 -9.934 -5.369 1.00 11.20 H new ATOM 0 HB2 ASN A 6 -7.327 -8.033 -3.848 1.00 32.02 H new ATOM 0 HB3 ASN A 6 -7.060 -6.897 -5.156 1.00 32.02 H new ATOM 0 HD21 ASN A 6 -10.376 -9.254 -5.861 1.00 73.43 H new ATOM 0 HD22 ASN A 6 -8.783 -9.976 -5.610 1.00 73.43 H new ATOM 103 N LEU A 7 -5.890 -7.951 -7.792 1.00 61.40 N ATOM 104 CA LEU A 7 -5.893 -7.792 -9.251 1.00 61.34 C ATOM 105 C LEU A 7 -5.325 -9.034 -9.950 1.00 64.05 C ATOM 106 O LEU A 7 -5.898 -9.522 -10.923 1.00 1.24 O ATOM 107 CB LEU A 7 -5.094 -6.548 -9.666 1.00 43.51 C ATOM 108 CG LEU A 7 -5.728 -5.200 -9.281 1.00 44.32 C ATOM 109 CD1 LEU A 7 -4.840 -4.036 -9.718 1.00 12.12 C ATOM 110 CD2 LEU A 7 -7.127 -5.072 -9.882 1.00 64.20 C ATOM 0 H LEU A 7 -5.209 -7.367 -7.306 1.00 61.40 H new ATOM 0 HA LEU A 7 -6.930 -7.667 -9.563 1.00 61.34 H new ATOM 0 HB2 LEU A 7 -4.103 -6.606 -9.216 1.00 43.51 H new ATOM 0 HB3 LEU A 7 -4.955 -6.570 -10.747 1.00 43.51 H new ATOM 0 HG LEU A 7 -5.819 -5.164 -8.195 1.00 44.32 H new ATOM 0 HD11 LEU A 7 -5.309 -3.094 -9.435 1.00 12.12 H new ATOM 0 HD12 LEU A 7 -3.868 -4.118 -9.232 1.00 12.12 H new ATOM 0 HD13 LEU A 7 -4.708 -4.065 -10.800 1.00 12.12 H new ATOM 0 HD21 LEU A 7 -7.558 -4.112 -9.598 1.00 64.20 H new ATOM 0 HD22 LEU A 7 -7.063 -5.134 -10.968 1.00 64.20 H new ATOM 0 HD23 LEU A 7 -7.759 -5.878 -9.509 1.00 64.20 H new ATOM 122 N LYS A 8 -4.205 -9.555 -9.444 1.00 2.34 N ATOM 123 CA LYS A 8 -3.562 -10.726 -10.059 1.00 54.25 C ATOM 124 C LYS A 8 -4.446 -11.986 -9.949 1.00 1.05 C ATOM 125 O LYS A 8 -4.314 -12.912 -10.749 1.00 72.33 O ATOM 126 CB LYS A 8 -2.176 -10.993 -9.441 1.00 53.54 C ATOM 127 CG LYS A 8 -1.329 -11.971 -10.261 1.00 61.51 C ATOM 128 CD LYS A 8 0.065 -12.199 -9.667 1.00 13.24 C ATOM 129 CE LYS A 8 0.058 -13.197 -8.509 1.00 4.52 C ATOM 130 NZ LYS A 8 -0.717 -12.710 -7.339 1.00 33.52 N ATOM 0 H LYS A 8 -3.726 -9.192 -8.620 1.00 2.34 H new ATOM 0 HA LYS A 8 -3.431 -10.496 -11.116 1.00 54.25 H new ATOM 0 HB2 LYS A 8 -1.640 -10.049 -9.346 1.00 53.54 H new ATOM 0 HB3 LYS A 8 -2.304 -11.389 -8.434 1.00 53.54 H new ATOM 0 HG2 LYS A 8 -1.850 -12.926 -10.328 1.00 61.51 H new ATOM 0 HG3 LYS A 8 -1.227 -11.591 -11.278 1.00 61.51 H new ATOM 0 HD2 LYS A 8 0.734 -12.560 -10.448 1.00 13.24 H new ATOM 0 HD3 LYS A 8 0.467 -11.248 -9.319 1.00 13.24 H new ATOM 0 HE2 LYS A 8 -0.364 -14.142 -8.851 1.00 4.52 H new ATOM 0 HE3 LYS A 8 1.084 -13.399 -8.202 1.00 4.52 H new ATOM 0 HZ1 LYS A 8 -0.474 -13.277 -6.502 1.00 33.52 H new ATOM 0 HZ2 LYS A 8 -0.486 -11.712 -7.160 1.00 33.52 H new ATOM 0 HZ3 LYS A 8 -1.734 -12.800 -7.535 1.00 33.52 H new ATOM 144 N ASN A 9 -5.337 -12.032 -8.950 1.00 72.30 N ATOM 145 CA ASN A 9 -6.308 -13.136 -8.853 1.00 51.54 C ATOM 146 C ASN A 9 -7.691 -12.730 -9.395 1.00 54.44 C ATOM 147 O ASN A 9 -8.665 -13.482 -9.290 1.00 44.43 O ATOM 148 CB ASN A 9 -6.397 -13.689 -7.417 1.00 35.22 C ATOM 149 CG ASN A 9 -6.901 -12.705 -6.375 1.00 30.44 C ATOM 150 OD1 ASN A 9 -7.719 -11.836 -6.646 1.00 31.04 O ATOM 151 ND2 ASN A 9 -6.421 -12.854 -5.158 1.00 61.14 N ATOM 0 H ASN A 9 -5.408 -11.334 -8.210 1.00 72.30 H new ATOM 0 HA ASN A 9 -5.942 -13.943 -9.487 1.00 51.54 H new ATOM 0 HB2 ASN A 9 -7.054 -14.559 -7.420 1.00 35.22 H new ATOM 0 HB3 ASN A 9 -5.409 -14.037 -7.117 1.00 35.22 H new ATOM 0 HD21 ASN A 9 -6.730 -12.235 -4.409 1.00 61.14 H new ATOM 0 HD22 ASN A 9 -5.740 -13.588 -4.965 1.00 61.14 H new ATOM 158 N TYR A 10 -7.766 -11.537 -9.985 1.00 2.12 N ATOM 159 CA TYR A 10 -8.959 -11.100 -10.715 1.00 61.33 C ATOM 160 C TYR A 10 -8.840 -11.489 -12.198 1.00 25.41 C ATOM 161 O TYR A 10 -9.769 -12.052 -12.783 1.00 21.41 O ATOM 162 CB TYR A 10 -9.150 -9.579 -10.580 1.00 23.24 C ATOM 163 CG TYR A 10 -10.417 -9.050 -11.238 1.00 51.25 C ATOM 164 CD1 TYR A 10 -10.439 -8.707 -12.587 1.00 15.35 C ATOM 165 CD2 TYR A 10 -11.591 -8.893 -10.508 1.00 12.51 C ATOM 166 CE1 TYR A 10 -11.586 -8.228 -13.187 1.00 53.44 C ATOM 167 CE2 TYR A 10 -12.742 -8.413 -11.103 1.00 43.02 C ATOM 168 CZ TYR A 10 -12.735 -8.083 -12.442 1.00 23.34 C ATOM 169 OH TYR A 10 -13.882 -7.605 -13.038 1.00 61.53 O ATOM 0 H TYR A 10 -7.011 -10.852 -9.972 1.00 2.12 H new ATOM 0 HA TYR A 10 -9.830 -11.596 -10.286 1.00 61.33 H new ATOM 0 HB2 TYR A 10 -9.167 -9.318 -9.522 1.00 23.24 H new ATOM 0 HB3 TYR A 10 -8.288 -9.075 -11.018 1.00 23.24 H new ATOM 0 HD1 TYR A 10 -9.541 -8.818 -13.176 1.00 15.35 H new ATOM 0 HD2 TYR A 10 -11.603 -9.151 -9.459 1.00 12.51 H new ATOM 0 HE1 TYR A 10 -11.582 -7.968 -14.235 1.00 53.44 H new ATOM 0 HE2 TYR A 10 -13.644 -8.297 -10.521 1.00 43.02 H new ATOM 0 HH TYR A 10 -14.602 -7.564 -12.375 1.00 61.53 H new ATOM 179 N GLN A 11 -7.690 -11.186 -12.802 1.00 42.33 N ATOM 180 CA GLN A 11 -7.436 -11.537 -14.204 1.00 4.43 C ATOM 181 C GLN A 11 -5.929 -11.623 -14.494 1.00 61.04 C ATOM 182 O GLN A 11 -5.102 -11.360 -13.621 1.00 34.11 O ATOM 183 CB GLN A 11 -8.102 -10.513 -15.151 1.00 30.22 C ATOM 184 CG GLN A 11 -7.331 -9.198 -15.356 1.00 53.44 C ATOM 185 CD GLN A 11 -7.051 -8.438 -14.066 1.00 21.43 C ATOM 186 OE1 GLN A 11 -7.852 -7.627 -13.621 1.00 2.35 O ATOM 187 NE2 GLN A 11 -5.898 -8.672 -13.474 1.00 61.33 N ATOM 0 H GLN A 11 -6.919 -10.699 -12.345 1.00 42.33 H new ATOM 0 HA GLN A 11 -7.873 -12.519 -14.383 1.00 4.43 H new ATOM 0 HB2 GLN A 11 -8.246 -10.984 -16.123 1.00 30.22 H new ATOM 0 HB3 GLN A 11 -9.092 -10.276 -14.762 1.00 30.22 H new ATOM 0 HG2 GLN A 11 -6.384 -9.417 -15.850 1.00 53.44 H new ATOM 0 HG3 GLN A 11 -7.900 -8.556 -16.028 1.00 53.44 H new ATOM 0 HE21 GLN A 11 -5.251 -9.354 -13.869 1.00 61.33 H new ATOM 0 HE22 GLN A 11 -5.652 -8.171 -12.620 1.00 61.33 H new ATOM 196 N HIS A 12 -5.585 -12.004 -15.721 1.00 2.21 N ATOM 197 CA HIS A 12 -4.188 -11.991 -16.182 1.00 2.23 C ATOM 198 C HIS A 12 -3.661 -10.550 -16.335 1.00 21.15 C ATOM 199 O HIS A 12 -4.242 -9.606 -15.801 1.00 72.44 O ATOM 200 CB HIS A 12 -4.074 -12.735 -17.524 1.00 4.11 C ATOM 201 CG HIS A 12 -4.994 -12.208 -18.589 1.00 40.33 C ATOM 202 ND1 HIS A 12 -4.687 -11.137 -19.404 1.00 4.21 N ATOM 203 CD2 HIS A 12 -6.226 -12.618 -18.972 1.00 2.04 C ATOM 204 CE1 HIS A 12 -5.687 -10.913 -20.232 1.00 42.43 C ATOM 205 NE2 HIS A 12 -6.631 -11.797 -19.993 1.00 75.53 N ATOM 0 H HIS A 12 -6.253 -12.328 -16.421 1.00 2.21 H new ATOM 0 HA HIS A 12 -3.579 -12.495 -15.431 1.00 2.23 H new ATOM 0 HB2 HIS A 12 -3.046 -12.668 -17.880 1.00 4.11 H new ATOM 0 HB3 HIS A 12 -4.288 -13.792 -17.362 1.00 4.11 H new ATOM 0 HD1 HIS A 12 -3.820 -10.602 -19.370 1.00 4.21 H new ATOM 0 HD2 HIS A 12 -6.786 -13.440 -18.551 1.00 2.04 H new ATOM 0 HE1 HIS A 12 -5.725 -10.135 -20.980 1.00 42.43 H new ATOM 214 N LEU A 13 -2.550 -10.397 -17.055 1.00 52.43 N ATOM 215 CA LEU A 13 -2.012 -9.072 -17.395 1.00 75.02 C ATOM 216 C LEU A 13 -3.119 -8.163 -17.962 1.00 44.22 C ATOM 217 O LEU A 13 -3.765 -8.512 -18.952 1.00 42.21 O ATOM 218 CB LEU A 13 -0.871 -9.245 -18.421 1.00 43.24 C ATOM 219 CG LEU A 13 0.005 -8.006 -18.724 1.00 43.14 C ATOM 220 CD1 LEU A 13 1.255 -8.426 -19.488 1.00 13.53 C ATOM 221 CD2 LEU A 13 -0.752 -6.943 -19.522 1.00 74.14 C ATOM 0 H LEU A 13 -2.000 -11.176 -17.417 1.00 52.43 H new ATOM 0 HA LEU A 13 -1.623 -8.596 -16.495 1.00 75.02 H new ATOM 0 HB2 LEU A 13 -0.217 -10.042 -18.067 1.00 43.24 H new ATOM 0 HB3 LEU A 13 -1.310 -9.586 -19.359 1.00 43.24 H new ATOM 0 HG LEU A 13 0.284 -7.565 -17.767 1.00 43.14 H new ATOM 0 HD11 LEU A 13 1.866 -7.548 -19.697 1.00 13.53 H new ATOM 0 HD12 LEU A 13 1.828 -9.132 -18.887 1.00 13.53 H new ATOM 0 HD13 LEU A 13 0.966 -8.899 -20.427 1.00 13.53 H new ATOM 0 HD21 LEU A 13 -0.096 -6.093 -19.710 1.00 74.14 H new ATOM 0 HD22 LEU A 13 -1.080 -7.366 -20.472 1.00 74.14 H new ATOM 0 HD23 LEU A 13 -1.621 -6.612 -18.954 1.00 74.14 H new ATOM 233 N ARG A 14 -3.340 -7.010 -17.334 1.00 1.22 N ATOM 234 CA ARG A 14 -4.362 -6.070 -17.805 1.00 74.24 C ATOM 235 C ARG A 14 -3.763 -4.693 -18.136 1.00 23.23 C ATOM 236 O ARG A 14 -3.723 -4.293 -19.301 1.00 61.33 O ATOM 237 CB ARG A 14 -5.484 -5.931 -16.765 1.00 13.22 C ATOM 238 CG ARG A 14 -6.688 -5.116 -17.240 1.00 1.23 C ATOM 239 CD ARG A 14 -7.426 -5.780 -18.409 1.00 74.01 C ATOM 240 NE ARG A 14 -6.622 -5.817 -19.637 1.00 35.44 N ATOM 241 CZ ARG A 14 -6.767 -6.698 -20.592 1.00 64.23 C ATOM 242 NH1 ARG A 14 -7.687 -7.606 -20.515 1.00 53.21 N ATOM 243 NH2 ARG A 14 -5.986 -6.674 -21.624 1.00 71.22 N ATOM 0 H ARG A 14 -2.832 -6.703 -16.505 1.00 1.22 H new ATOM 0 HA ARG A 14 -4.781 -6.476 -18.726 1.00 74.24 H new ATOM 0 HB2 ARG A 14 -5.824 -6.927 -16.480 1.00 13.22 H new ATOM 0 HB3 ARG A 14 -5.076 -5.465 -15.868 1.00 13.22 H new ATOM 0 HG2 ARG A 14 -7.380 -4.979 -16.409 1.00 1.23 H new ATOM 0 HG3 ARG A 14 -6.354 -4.124 -17.543 1.00 1.23 H new ATOM 0 HD2 ARG A 14 -7.702 -6.797 -18.129 1.00 74.01 H new ATOM 0 HD3 ARG A 14 -8.353 -5.240 -18.602 1.00 74.01 H new ATOM 0 HE ARG A 14 -5.900 -5.106 -19.753 1.00 35.44 H new ATOM 0 HH11 ARG A 14 -8.306 -7.638 -19.705 1.00 53.21 H new ATOM 0 HH12 ARG A 14 -7.793 -8.289 -21.265 1.00 53.21 H new ATOM 0 HH21 ARG A 14 -5.255 -5.966 -21.694 1.00 71.22 H new ATOM 0 HH22 ARG A 14 -6.102 -7.363 -22.367 1.00 71.22 H new ATOM 257 N ASP A 15 -3.301 -3.970 -17.115 1.00 74.41 N ATOM 258 CA ASP A 15 -2.724 -2.630 -17.302 1.00 72.01 C ATOM 259 C ASP A 15 -1.495 -2.426 -16.398 1.00 14.20 C ATOM 260 O ASP A 15 -1.541 -1.617 -15.477 1.00 3.23 O ATOM 261 CB ASP A 15 -3.771 -1.542 -17.022 1.00 21.31 C ATOM 262 CG ASP A 15 -4.835 -1.462 -18.101 1.00 4.41 C ATOM 263 OD1 ASP A 15 -4.499 -1.077 -19.242 1.00 41.12 O ATOM 264 OD2 ASP A 15 -6.008 -1.771 -17.818 1.00 43.22 O ATOM 0 H ASP A 15 -3.314 -4.288 -16.146 1.00 74.41 H new ATOM 0 HA ASP A 15 -2.405 -2.549 -18.341 1.00 72.01 H new ATOM 0 HB2 ASP A 15 -4.247 -1.740 -16.062 1.00 21.31 H new ATOM 0 HB3 ASP A 15 -3.272 -0.577 -16.937 1.00 21.31 H new ATOM 269 N PRO A 16 -0.361 -3.074 -16.763 1.00 51.21 N ATOM 270 CA PRO A 16 0.856 -3.335 -15.950 1.00 24.13 C ATOM 271 C PRO A 16 1.021 -2.669 -14.545 1.00 3.10 C ATOM 272 O PRO A 16 2.149 -2.489 -14.071 1.00 54.43 O ATOM 273 CB PRO A 16 1.909 -2.836 -16.940 1.00 61.04 C ATOM 274 CG PRO A 16 1.397 -3.285 -18.286 1.00 20.11 C ATOM 275 CD PRO A 16 -0.092 -3.561 -18.124 1.00 54.03 C ATOM 0 HA PRO A 16 0.883 -4.373 -15.619 1.00 24.13 H new ATOM 0 HB2 PRO A 16 2.014 -1.752 -16.896 1.00 61.04 H new ATOM 0 HB3 PRO A 16 2.890 -3.261 -16.725 1.00 61.04 H new ATOM 0 HG2 PRO A 16 1.567 -2.516 -19.040 1.00 20.11 H new ATOM 0 HG3 PRO A 16 1.922 -4.180 -18.620 1.00 20.11 H new ATOM 0 HD2 PRO A 16 -0.686 -3.032 -18.869 1.00 54.03 H new ATOM 0 HD3 PRO A 16 -0.322 -4.621 -18.228 1.00 54.03 H new ATOM 283 N SER A 17 -0.068 -2.414 -13.831 1.00 64.14 N ATOM 284 CA SER A 17 0.007 -1.823 -12.487 1.00 43.23 C ATOM 285 C SER A 17 0.085 -2.944 -11.460 1.00 42.00 C ATOM 286 O SER A 17 0.785 -2.850 -10.447 1.00 31.14 O ATOM 287 CB SER A 17 -1.221 -0.941 -12.211 1.00 4.21 C ATOM 288 OG SER A 17 -1.325 0.108 -13.162 1.00 15.41 O ATOM 0 H SER A 17 -1.017 -2.605 -14.154 1.00 64.14 H new ATOM 0 HA SER A 17 0.895 -1.195 -12.420 1.00 43.23 H new ATOM 0 HB2 SER A 17 -2.124 -1.551 -12.239 1.00 4.21 H new ATOM 0 HB3 SER A 17 -1.152 -0.520 -11.208 1.00 4.21 H new ATOM 0 HG SER A 17 -1.426 -0.273 -14.059 1.00 15.41 H new ATOM 294 N GLU A 18 -0.632 -4.018 -11.776 1.00 43.40 N ATOM 295 CA GLU A 18 -0.633 -5.246 -10.990 1.00 63.34 C ATOM 296 C GLU A 18 0.807 -5.677 -10.672 1.00 11.12 C ATOM 297 O GLU A 18 1.207 -5.767 -9.512 1.00 42.21 O ATOM 298 CB GLU A 18 -1.345 -6.382 -11.766 1.00 22.54 C ATOM 299 CG GLU A 18 -2.696 -6.009 -12.400 1.00 44.22 C ATOM 300 CD GLU A 18 -2.569 -5.240 -13.718 1.00 54.53 C ATOM 301 OE1 GLU A 18 -2.336 -5.876 -14.766 1.00 35.23 O ATOM 302 OE2 GLU A 18 -2.700 -3.994 -13.707 1.00 62.30 O ATOM 0 H GLU A 18 -1.237 -4.060 -12.596 1.00 43.40 H new ATOM 0 HA GLU A 18 -1.167 -5.054 -10.059 1.00 63.34 H new ATOM 0 HB2 GLU A 18 -0.679 -6.732 -12.554 1.00 22.54 H new ATOM 0 HB3 GLU A 18 -1.502 -7.219 -11.086 1.00 22.54 H new ATOM 0 HG2 GLU A 18 -3.268 -6.920 -12.575 1.00 44.22 H new ATOM 0 HG3 GLU A 18 -3.265 -5.406 -11.692 1.00 44.22 H new ATOM 309 N TYR A 19 1.588 -5.906 -11.727 1.00 71.50 N ATOM 310 CA TYR A 19 2.963 -6.388 -11.589 1.00 13.44 C ATOM 311 C TYR A 19 3.918 -5.280 -11.114 1.00 15.23 C ATOM 312 O TYR A 19 4.814 -5.541 -10.304 1.00 0.54 O ATOM 313 CB TYR A 19 3.452 -6.981 -12.917 1.00 2.31 C ATOM 314 CG TYR A 19 2.504 -8.016 -13.494 1.00 13.13 C ATOM 315 CD1 TYR A 19 2.206 -9.180 -12.793 1.00 70.13 C ATOM 316 CD2 TYR A 19 1.893 -7.820 -14.727 1.00 24.34 C ATOM 317 CE1 TYR A 19 1.331 -10.117 -13.307 1.00 35.25 C ATOM 318 CE2 TYR A 19 1.015 -8.753 -15.244 1.00 64.33 C ATOM 319 CZ TYR A 19 0.738 -9.900 -14.532 1.00 0.33 C ATOM 320 OH TYR A 19 -0.137 -10.829 -15.045 1.00 23.12 O ATOM 0 H TYR A 19 1.290 -5.765 -12.692 1.00 71.50 H new ATOM 0 HA TYR A 19 2.963 -7.166 -10.826 1.00 13.44 H new ATOM 0 HB2 TYR A 19 3.585 -6.176 -13.640 1.00 2.31 H new ATOM 0 HB3 TYR A 19 4.430 -7.438 -12.765 1.00 2.31 H new ATOM 0 HD1 TYR A 19 2.666 -9.354 -11.832 1.00 70.13 H new ATOM 0 HD2 TYR A 19 2.108 -6.924 -15.290 1.00 24.34 H new ATOM 0 HE1 TYR A 19 1.112 -11.017 -12.751 1.00 35.25 H new ATOM 0 HE2 TYR A 19 0.547 -8.584 -16.203 1.00 64.33 H new ATOM 0 HH TYR A 19 0.191 -11.731 -14.848 1.00 23.12 H new ATOM 330 N MET A 20 3.723 -4.043 -11.604 1.00 31.23 N ATOM 331 CA MET A 20 4.561 -2.907 -11.184 1.00 2.41 C ATOM 332 C MET A 20 4.681 -2.821 -9.651 1.00 14.32 C ATOM 333 O MET A 20 5.760 -2.560 -9.114 1.00 41.24 O ATOM 334 CB MET A 20 3.991 -1.592 -11.732 1.00 5.11 C ATOM 335 CG MET A 20 4.835 -0.368 -11.399 1.00 55.54 C ATOM 336 SD MET A 20 4.156 1.154 -12.091 1.00 14.14 S ATOM 337 CE MET A 20 2.560 1.219 -11.276 1.00 71.00 C ATOM 0 H MET A 20 3.000 -3.806 -12.284 1.00 31.23 H new ATOM 0 HA MET A 20 5.558 -3.071 -11.592 1.00 2.41 H new ATOM 0 HB2 MET A 20 3.896 -1.672 -12.815 1.00 5.11 H new ATOM 0 HB3 MET A 20 2.987 -1.448 -11.333 1.00 5.11 H new ATOM 0 HG2 MET A 20 4.911 -0.268 -10.316 1.00 55.54 H new ATOM 0 HG3 MET A 20 5.846 -0.515 -11.778 1.00 55.54 H new ATOM 0 HE1 MET A 20 2.338 2.248 -10.992 1.00 71.00 H new ATOM 0 HE2 MET A 20 1.789 0.856 -11.956 1.00 71.00 H new ATOM 0 HE3 MET A 20 2.581 0.593 -10.384 1.00 71.00 H new ATOM 347 N SER A 21 3.567 -3.041 -8.954 1.00 13.20 N ATOM 348 CA SER A 21 3.555 -3.020 -7.482 1.00 3.23 C ATOM 349 C SER A 21 3.747 -4.426 -6.885 1.00 41.31 C ATOM 350 O SER A 21 4.140 -4.565 -5.729 1.00 55.31 O ATOM 351 CB SER A 21 2.240 -2.413 -6.972 1.00 71.44 C ATOM 352 OG SER A 21 2.185 -2.398 -5.553 1.00 52.42 O ATOM 0 H SER A 21 2.660 -3.236 -9.379 1.00 13.20 H new ATOM 0 HA SER A 21 4.393 -2.403 -7.158 1.00 3.23 H new ATOM 0 HB2 SER A 21 2.137 -1.396 -7.351 1.00 71.44 H new ATOM 0 HB3 SER A 21 1.399 -2.986 -7.363 1.00 71.44 H new ATOM 0 HG SER A 21 1.520 -1.741 -5.258 1.00 52.42 H new ATOM 358 N GLN A 22 3.479 -5.465 -7.683 1.00 63.33 N ATOM 359 CA GLN A 22 3.587 -6.859 -7.219 1.00 41.44 C ATOM 360 C GLN A 22 5.045 -7.261 -6.915 1.00 31.23 C ATOM 361 O GLN A 22 5.286 -8.177 -6.134 1.00 71.35 O ATOM 362 CB GLN A 22 2.985 -7.813 -8.270 1.00 64.30 C ATOM 363 CG GLN A 22 2.707 -9.238 -7.776 1.00 32.23 C ATOM 364 CD GLN A 22 1.429 -9.376 -6.946 1.00 31.42 C ATOM 365 OE1 GLN A 22 0.761 -10.412 -6.980 1.00 71.14 O ATOM 366 NE2 GLN A 22 1.076 -8.360 -6.184 1.00 35.14 N ATOM 0 H GLN A 22 3.185 -5.370 -8.655 1.00 63.33 H new ATOM 0 HA GLN A 22 3.026 -6.937 -6.288 1.00 41.44 H new ATOM 0 HB2 GLN A 22 2.052 -7.384 -8.635 1.00 64.30 H new ATOM 0 HB3 GLN A 22 3.665 -7.867 -9.120 1.00 64.30 H new ATOM 0 HG2 GLN A 22 2.641 -9.903 -8.637 1.00 32.23 H new ATOM 0 HG3 GLN A 22 3.554 -9.575 -7.178 1.00 32.23 H new ATOM 0 HE21 GLN A 22 1.642 -7.512 -6.170 1.00 35.14 H new ATOM 0 HE22 GLN A 22 0.236 -8.422 -5.608 1.00 35.14 H new ATOM 375 N VAL A 23 6.008 -6.592 -7.557 1.00 43.31 N ATOM 376 CA VAL A 23 7.435 -6.853 -7.290 1.00 1.14 C ATOM 377 C VAL A 23 8.024 -5.882 -6.245 1.00 65.40 C ATOM 378 O VAL A 23 7.930 -4.660 -6.383 1.00 10.43 O ATOM 379 CB VAL A 23 8.281 -6.779 -8.590 1.00 71.33 C ATOM 380 CG1 VAL A 23 8.116 -5.424 -9.276 1.00 24.44 C ATOM 381 CG2 VAL A 23 9.762 -7.069 -8.303 1.00 61.33 C ATOM 0 H VAL A 23 5.833 -5.872 -8.259 1.00 43.31 H new ATOM 0 HA VAL A 23 7.484 -7.864 -6.886 1.00 1.14 H new ATOM 0 HB VAL A 23 7.913 -7.548 -9.270 1.00 71.33 H new ATOM 0 HG11 VAL A 23 8.719 -5.400 -10.183 1.00 24.44 H new ATOM 0 HG12 VAL A 23 7.068 -5.272 -9.533 1.00 24.44 H new ATOM 0 HG13 VAL A 23 8.443 -4.633 -8.602 1.00 24.44 H new ATOM 0 HG21 VAL A 23 10.331 -7.010 -9.231 1.00 61.33 H new ATOM 0 HG22 VAL A 23 10.146 -6.335 -7.595 1.00 61.33 H new ATOM 0 HG23 VAL A 23 9.862 -8.068 -7.879 1.00 61.33 H new ATOM 391 N TYR A 24 8.628 -6.442 -5.198 1.00 62.10 N ATOM 392 CA TYR A 24 9.330 -5.652 -4.171 1.00 33.23 C ATOM 393 C TYR A 24 10.586 -4.960 -4.732 1.00 12.44 C ATOM 394 O TYR A 24 10.938 -3.852 -4.321 1.00 12.20 O ATOM 395 CB TYR A 24 9.726 -6.567 -3.008 1.00 1.02 C ATOM 396 CG TYR A 24 10.427 -5.871 -1.855 1.00 3.54 C ATOM 397 CD1 TYR A 24 9.698 -5.228 -0.860 1.00 62.23 C ATOM 398 CD2 TYR A 24 11.815 -5.884 -1.746 1.00 20.42 C ATOM 399 CE1 TYR A 24 10.330 -4.621 0.209 1.00 53.15 C ATOM 400 CE2 TYR A 24 12.452 -5.274 -0.683 1.00 53.03 C ATOM 401 CZ TYR A 24 11.706 -4.646 0.294 1.00 52.44 C ATOM 402 OH TYR A 24 12.337 -4.056 1.366 1.00 12.32 O ATOM 0 H TYR A 24 8.648 -7.448 -5.032 1.00 62.10 H new ATOM 0 HA TYR A 24 8.649 -4.873 -3.827 1.00 33.23 H new ATOM 0 HB2 TYR A 24 8.829 -7.055 -2.627 1.00 1.02 H new ATOM 0 HB3 TYR A 24 10.378 -7.353 -3.389 1.00 1.02 H new ATOM 0 HD1 TYR A 24 8.620 -5.203 -0.924 1.00 62.23 H new ATOM 0 HD2 TYR A 24 12.403 -6.379 -2.505 1.00 20.42 H new ATOM 0 HE1 TYR A 24 9.748 -4.129 0.975 1.00 53.15 H new ATOM 0 HE2 TYR A 24 13.530 -5.288 -0.616 1.00 53.03 H new ATOM 0 HH TYR A 24 13.307 -4.163 1.274 1.00 12.32 H new ATOM 412 N GLY A 25 11.266 -5.629 -5.659 1.00 21.12 N ATOM 413 CA GLY A 25 12.495 -5.088 -6.238 1.00 4.32 C ATOM 414 C GLY A 25 12.250 -3.971 -7.255 1.00 31.01 C ATOM 415 O GLY A 25 11.408 -3.096 -7.040 1.00 45.41 O ATOM 0 H GLY A 25 10.990 -6.541 -6.024 1.00 21.12 H new ATOM 0 HA2 GLY A 25 13.128 -4.707 -5.437 1.00 4.32 H new ATOM 0 HA3 GLY A 25 13.045 -5.895 -6.722 1.00 4.32 H new ATOM 419 N ASP A 26 13.000 -3.989 -8.357 1.00 43.45 N ATOM 420 CA ASP A 26 12.832 -2.994 -9.423 1.00 62.44 C ATOM 421 C ASP A 26 11.502 -3.194 -10.166 1.00 55.31 C ATOM 422 O ASP A 26 11.267 -4.257 -10.749 1.00 13.12 O ATOM 423 CB ASP A 26 13.980 -3.084 -10.431 1.00 33.00 C ATOM 424 CG ASP A 26 15.334 -2.936 -9.780 1.00 51.41 C ATOM 425 OD1 ASP A 26 15.887 -3.954 -9.324 1.00 20.30 O ATOM 426 OD2 ASP A 26 15.852 -1.799 -9.716 1.00 53.44 O ATOM 0 H ASP A 26 13.729 -4.679 -8.537 1.00 43.45 H new ATOM 0 HA ASP A 26 12.833 -2.011 -8.951 1.00 62.44 H new ATOM 0 HB2 ASP A 26 13.932 -4.043 -10.947 1.00 33.00 H new ATOM 0 HB3 ASP A 26 13.857 -2.308 -11.187 1.00 33.00 H new ATOM 431 N PRO A 27 10.620 -2.176 -10.166 1.00 23.31 N ATOM 432 CA PRO A 27 9.360 -2.233 -10.919 1.00 71.24 C ATOM 433 C PRO A 27 9.597 -2.458 -12.419 1.00 73.25 C ATOM 434 O PRO A 27 9.062 -3.398 -13.000 1.00 3.34 O ATOM 435 CB PRO A 27 8.712 -0.859 -10.661 1.00 0.55 C ATOM 436 CG PRO A 27 9.826 0.010 -10.177 1.00 32.25 C ATOM 437 CD PRO A 27 10.764 -0.904 -9.437 1.00 31.23 C ATOM 0 HA PRO A 27 8.732 -3.066 -10.603 1.00 71.24 H new ATOM 0 HB2 PRO A 27 8.264 -0.457 -11.570 1.00 0.55 H new ATOM 0 HB3 PRO A 27 7.917 -0.931 -9.919 1.00 0.55 H new ATOM 0 HG2 PRO A 27 10.332 0.499 -11.010 1.00 32.25 H new ATOM 0 HG3 PRO A 27 9.452 0.799 -9.524 1.00 32.25 H new ATOM 0 HD2 PRO A 27 11.790 -0.537 -9.462 1.00 31.23 H new ATOM 0 HD3 PRO A 27 10.487 -1.005 -8.388 1.00 31.23 H new ATOM 445 N LEU A 28 10.433 -1.614 -13.029 1.00 44.51 N ATOM 446 CA LEU A 28 10.705 -1.685 -14.471 1.00 52.14 C ATOM 447 C LEU A 28 11.266 -3.065 -14.873 1.00 71.03 C ATOM 448 O LEU A 28 10.913 -3.600 -15.923 1.00 4.21 O ATOM 449 CB LEU A 28 11.676 -0.552 -14.871 1.00 23.42 C ATOM 450 CG LEU A 28 11.782 -0.211 -16.378 1.00 70.21 C ATOM 451 CD1 LEU A 28 12.584 -1.259 -17.148 1.00 4.12 C ATOM 452 CD2 LEU A 28 10.393 -0.043 -16.992 1.00 3.42 C ATOM 0 H LEU A 28 10.936 -0.870 -12.546 1.00 44.51 H new ATOM 0 HA LEU A 28 9.766 -1.554 -15.009 1.00 52.14 H new ATOM 0 HB2 LEU A 28 11.378 0.352 -14.340 1.00 23.42 H new ATOM 0 HB3 LEU A 28 12.671 -0.818 -14.514 1.00 23.42 H new ATOM 0 HG LEU A 28 12.319 0.734 -16.458 1.00 70.21 H new ATOM 0 HD11 LEU A 28 12.632 -0.979 -18.200 1.00 4.12 H new ATOM 0 HD12 LEU A 28 13.593 -1.316 -16.741 1.00 4.12 H new ATOM 0 HD13 LEU A 28 12.099 -2.230 -17.053 1.00 4.12 H new ATOM 0 HD21 LEU A 28 10.490 0.196 -18.051 1.00 3.42 H new ATOM 0 HD22 LEU A 28 9.831 -0.970 -16.879 1.00 3.42 H new ATOM 0 HD23 LEU A 28 9.866 0.765 -16.484 1.00 3.42 H new ATOM 464 N ALA A 29 12.120 -3.645 -14.029 1.00 32.34 N ATOM 465 CA ALA A 29 12.727 -4.950 -14.323 1.00 44.44 C ATOM 466 C ALA A 29 11.666 -6.056 -14.457 1.00 12.23 C ATOM 467 O ALA A 29 11.410 -6.566 -15.555 1.00 75.31 O ATOM 468 CB ALA A 29 13.742 -5.314 -13.243 1.00 42.40 C ATOM 0 H ALA A 29 12.408 -3.237 -13.140 1.00 32.34 H new ATOM 0 HA ALA A 29 13.239 -4.869 -15.282 1.00 44.44 H new ATOM 0 HB1 ALA A 29 14.185 -6.283 -13.472 1.00 42.40 H new ATOM 0 HB2 ALA A 29 14.525 -4.556 -13.209 1.00 42.40 H new ATOM 0 HB3 ALA A 29 13.242 -5.363 -12.276 1.00 42.40 H new ATOM 474 N TYR A 30 11.038 -6.410 -13.337 1.00 13.10 N ATOM 475 CA TYR A 30 10.028 -7.470 -13.320 1.00 4.12 C ATOM 476 C TYR A 30 8.853 -7.136 -14.247 1.00 2.51 C ATOM 477 O TYR A 30 8.399 -7.983 -15.014 1.00 73.30 O ATOM 478 CB TYR A 30 9.518 -7.697 -11.891 1.00 51.32 C ATOM 479 CG TYR A 30 8.558 -8.871 -11.751 1.00 62.13 C ATOM 480 CD1 TYR A 30 9.035 -10.175 -11.663 1.00 74.25 C ATOM 481 CD2 TYR A 30 7.179 -8.677 -11.700 1.00 44.25 C ATOM 482 CE1 TYR A 30 8.175 -11.248 -11.530 1.00 60.13 C ATOM 483 CE2 TYR A 30 6.311 -9.747 -11.568 1.00 73.42 C ATOM 484 CZ TYR A 30 6.815 -11.030 -11.483 1.00 44.52 C ATOM 485 OH TYR A 30 5.957 -12.102 -11.355 1.00 54.53 O ATOM 0 H TYR A 30 11.210 -5.979 -12.429 1.00 13.10 H new ATOM 0 HA TYR A 30 10.499 -8.384 -13.683 1.00 4.12 H new ATOM 0 HB2 TYR A 30 10.372 -7.860 -11.234 1.00 51.32 H new ATOM 0 HB3 TYR A 30 9.019 -6.791 -11.547 1.00 51.32 H new ATOM 0 HD1 TYR A 30 10.100 -10.352 -11.699 1.00 74.25 H new ATOM 0 HD2 TYR A 30 6.781 -7.675 -11.765 1.00 44.25 H new ATOM 0 HE1 TYR A 30 8.566 -12.252 -11.463 1.00 60.13 H new ATOM 0 HE2 TYR A 30 5.245 -9.579 -11.532 1.00 73.42 H new ATOM 0 HH TYR A 30 5.032 -11.780 -11.336 1.00 54.53 H new ATOM 495 N LEU A 31 8.379 -5.894 -14.181 1.00 20.04 N ATOM 496 CA LEU A 31 7.218 -5.466 -14.967 1.00 12.01 C ATOM 497 C LEU A 31 7.450 -5.604 -16.475 1.00 65.24 C ATOM 498 O LEU A 31 6.616 -6.165 -17.187 1.00 13.32 O ATOM 499 CB LEU A 31 6.847 -4.013 -14.647 1.00 52.12 C ATOM 500 CG LEU A 31 5.613 -3.488 -15.389 1.00 64.25 C ATOM 501 CD1 LEU A 31 4.389 -4.319 -15.027 1.00 50.12 C ATOM 502 CD2 LEU A 31 5.382 -2.007 -15.091 1.00 40.11 C ATOM 0 H LEU A 31 8.779 -5.164 -13.592 1.00 20.04 H new ATOM 0 HA LEU A 31 6.398 -6.127 -14.687 1.00 12.01 H new ATOM 0 HB2 LEU A 31 6.674 -3.924 -13.574 1.00 52.12 H new ATOM 0 HB3 LEU A 31 7.697 -3.374 -14.887 1.00 52.12 H new ATOM 0 HG LEU A 31 5.788 -3.583 -16.461 1.00 64.25 H new ATOM 0 HD11 LEU A 31 3.519 -3.936 -15.560 1.00 50.12 H new ATOM 0 HD12 LEU A 31 4.559 -5.358 -15.308 1.00 50.12 H new ATOM 0 HD13 LEU A 31 4.212 -4.258 -13.953 1.00 50.12 H new ATOM 0 HD21 LEU A 31 4.500 -1.661 -15.630 1.00 40.11 H new ATOM 0 HD22 LEU A 31 5.229 -1.871 -14.020 1.00 40.11 H new ATOM 0 HD23 LEU A 31 6.251 -1.432 -15.410 1.00 40.11 H new ATOM 514 N GLN A 32 8.574 -5.085 -16.963 1.00 12.13 N ATOM 515 CA GLN A 32 8.858 -5.097 -18.399 1.00 33.41 C ATOM 516 C GLN A 32 8.966 -6.535 -18.927 1.00 33.33 C ATOM 517 O GLN A 32 8.335 -6.889 -19.925 1.00 74.40 O ATOM 518 CB GLN A 32 10.147 -4.319 -18.708 1.00 74.42 C ATOM 519 CG GLN A 32 10.352 -4.036 -20.194 1.00 33.44 C ATOM 520 CD GLN A 32 9.278 -3.124 -20.768 1.00 11.11 C ATOM 521 OE1 GLN A 32 8.231 -3.578 -21.221 1.00 13.42 O ATOM 522 NE2 GLN A 32 9.526 -1.830 -20.753 1.00 33.43 N ATOM 0 H GLN A 32 9.300 -4.653 -16.391 1.00 12.13 H new ATOM 0 HA GLN A 32 8.027 -4.607 -18.906 1.00 33.41 H new ATOM 0 HB2 GLN A 32 10.129 -3.373 -18.166 1.00 74.42 H new ATOM 0 HB3 GLN A 32 11.001 -4.884 -18.334 1.00 74.42 H new ATOM 0 HG2 GLN A 32 11.330 -3.578 -20.342 1.00 33.44 H new ATOM 0 HG3 GLN A 32 10.355 -4.978 -20.743 1.00 33.44 H new ATOM 0 HE21 GLN A 32 10.406 -1.484 -20.370 1.00 33.43 H new ATOM 0 HE22 GLN A 32 8.838 -1.175 -21.125 1.00 33.43 H new ATOM 531 N GLU A 33 9.750 -7.362 -18.239 1.00 3.11 N ATOM 532 CA GLU A 33 9.916 -8.768 -18.627 1.00 31.01 C ATOM 533 C GLU A 33 8.620 -9.587 -18.439 1.00 42.14 C ATOM 534 O GLU A 33 8.358 -10.520 -19.197 1.00 12.32 O ATOM 535 CB GLU A 33 11.084 -9.404 -17.851 1.00 20.42 C ATOM 536 CG GLU A 33 12.463 -9.155 -18.469 1.00 41.10 C ATOM 537 CD GLU A 33 12.840 -7.681 -18.568 1.00 54.34 C ATOM 538 OE1 GLU A 33 12.430 -7.018 -19.542 1.00 3.05 O ATOM 539 OE2 GLU A 33 13.573 -7.187 -17.688 1.00 74.13 O ATOM 0 H GLU A 33 10.280 -7.088 -17.412 1.00 3.11 H new ATOM 0 HA GLU A 33 10.148 -8.785 -19.692 1.00 31.01 H new ATOM 0 HB2 GLU A 33 11.081 -9.017 -16.832 1.00 20.42 H new ATOM 0 HB3 GLU A 33 10.918 -10.479 -17.785 1.00 20.42 H new ATOM 0 HG2 GLU A 33 13.215 -9.673 -17.874 1.00 41.10 H new ATOM 0 HG3 GLU A 33 12.488 -9.594 -19.466 1.00 41.10 H new ATOM 546 N THR A 34 7.807 -9.242 -17.437 1.00 70.51 N ATOM 547 CA THR A 34 6.509 -9.919 -17.231 1.00 10.43 C ATOM 548 C THR A 34 5.512 -9.529 -18.325 1.00 60.42 C ATOM 549 O THR A 34 4.798 -10.374 -18.867 1.00 62.45 O ATOM 550 CB THR A 34 5.890 -9.601 -15.844 1.00 23.31 C ATOM 551 OG1 THR A 34 6.726 -10.118 -14.798 1.00 51.11 O ATOM 552 CG2 THR A 34 4.491 -10.198 -15.706 1.00 74.45 C ATOM 0 H THR A 34 8.014 -8.508 -16.760 1.00 70.51 H new ATOM 0 HA THR A 34 6.710 -10.989 -17.277 1.00 10.43 H new ATOM 0 HB THR A 34 5.816 -8.517 -15.759 1.00 23.31 H new ATOM 0 HG1 THR A 34 7.476 -9.505 -14.645 1.00 51.11 H new ATOM 0 HG21 THR A 34 4.088 -9.956 -14.723 1.00 74.45 H new ATOM 0 HG22 THR A 34 3.841 -9.784 -16.477 1.00 74.45 H new ATOM 0 HG23 THR A 34 4.545 -11.281 -15.820 1.00 74.45 H new ATOM 560 N THR A 35 5.478 -8.241 -18.650 1.00 14.33 N ATOM 561 CA THR A 35 4.666 -7.737 -19.765 1.00 75.21 C ATOM 562 C THR A 35 5.172 -8.317 -21.094 1.00 42.33 C ATOM 563 O THR A 35 4.436 -8.414 -22.082 1.00 13.01 O ATOM 564 CB THR A 35 4.696 -6.185 -19.830 1.00 13.11 C ATOM 565 OG1 THR A 35 4.241 -5.630 -18.586 1.00 50.52 O ATOM 566 CG2 THR A 35 3.821 -5.652 -20.958 1.00 24.45 C ATOM 0 H THR A 35 6.004 -7.519 -18.157 1.00 14.33 H new ATOM 0 HA THR A 35 3.637 -8.054 -19.596 1.00 75.21 H new ATOM 0 HB THR A 35 5.727 -5.887 -20.020 1.00 13.11 H new ATOM 0 HG1 THR A 35 4.948 -5.714 -17.912 1.00 50.52 H new ATOM 0 HG21 THR A 35 3.868 -4.563 -20.971 1.00 24.45 H new ATOM 0 HG22 THR A 35 4.178 -6.042 -21.911 1.00 24.45 H new ATOM 0 HG23 THR A 35 2.790 -5.969 -20.800 1.00 24.45 H new ATOM 574 N LYS A 36 6.440 -8.712 -21.089 1.00 22.54 N ATOM 575 CA LYS A 36 7.080 -9.350 -22.237 1.00 13.45 C ATOM 576 C LYS A 36 6.707 -10.850 -22.319 1.00 41.23 C ATOM 577 O LYS A 36 7.011 -11.509 -23.319 1.00 50.34 O ATOM 578 CB LYS A 36 8.600 -9.167 -22.112 1.00 14.14 C ATOM 579 CG LYS A 36 9.409 -9.599 -23.330 1.00 74.35 C ATOM 580 CD LYS A 36 9.208 -8.681 -24.531 1.00 75.44 C ATOM 581 CE LYS A 36 10.092 -9.102 -25.700 1.00 34.30 C ATOM 582 NZ LYS A 36 10.016 -8.150 -26.840 1.00 22.14 N ATOM 0 H LYS A 36 7.057 -8.599 -20.285 1.00 22.54 H new ATOM 0 HA LYS A 36 6.729 -8.883 -23.157 1.00 13.45 H new ATOM 0 HB2 LYS A 36 8.808 -8.116 -21.912 1.00 14.14 H new ATOM 0 HB3 LYS A 36 8.948 -9.731 -21.246 1.00 14.14 H new ATOM 0 HG2 LYS A 36 10.467 -9.621 -23.068 1.00 74.35 H new ATOM 0 HG3 LYS A 36 9.128 -10.616 -23.605 1.00 74.35 H new ATOM 0 HD2 LYS A 36 8.162 -8.701 -24.837 1.00 75.44 H new ATOM 0 HD3 LYS A 36 9.438 -7.653 -24.249 1.00 75.44 H new ATOM 0 HE2 LYS A 36 11.125 -9.178 -25.362 1.00 34.30 H new ATOM 0 HE3 LYS A 36 9.794 -10.094 -26.038 1.00 34.30 H new ATOM 0 HZ1 LYS A 36 10.634 -8.479 -27.609 1.00 22.14 H new ATOM 0 HZ2 LYS A 36 9.035 -8.096 -27.182 1.00 22.14 H new ATOM 0 HZ3 LYS A 36 10.326 -7.208 -26.527 1.00 22.14 H new ATOM 596 N PHE A 37 6.044 -11.365 -21.257 1.00 2.31 N ATOM 597 CA PHE A 37 5.524 -12.747 -21.192 1.00 4.02 C ATOM 598 C PHE A 37 6.529 -13.713 -20.530 1.00 55.11 C ATOM 599 O PHE A 37 7.734 -13.473 -20.495 1.00 33.41 O ATOM 600 CB PHE A 37 5.065 -13.274 -22.568 1.00 75.32 C ATOM 601 CG PHE A 37 4.229 -14.533 -22.497 1.00 1.04 C ATOM 602 CD1 PHE A 37 2.895 -14.472 -22.117 1.00 42.13 C ATOM 603 CD2 PHE A 37 4.774 -15.773 -22.806 1.00 13.33 C ATOM 604 CE1 PHE A 37 2.125 -15.619 -22.048 1.00 31.41 C ATOM 605 CE2 PHE A 37 4.008 -16.921 -22.738 1.00 5.31 C ATOM 606 CZ PHE A 37 2.683 -16.844 -22.358 1.00 22.10 C ATOM 0 H PHE A 37 5.854 -10.825 -20.413 1.00 2.31 H new ATOM 0 HA PHE A 37 4.639 -12.706 -20.557 1.00 4.02 H new ATOM 0 HB2 PHE A 37 4.490 -12.496 -23.070 1.00 75.32 H new ATOM 0 HB3 PHE A 37 5.944 -13.468 -23.183 1.00 75.32 H new ATOM 0 HD1 PHE A 37 2.453 -13.517 -21.872 1.00 42.13 H new ATOM 0 HD2 PHE A 37 5.810 -15.841 -23.103 1.00 13.33 H new ATOM 0 HE1 PHE A 37 1.088 -15.557 -21.752 1.00 31.41 H new ATOM 0 HE2 PHE A 37 4.445 -17.878 -22.982 1.00 5.31 H new ATOM 0 HZ PHE A 37 2.083 -17.741 -22.303 1.00 22.10 H new ATOM 616 N VAL A 38 6.005 -14.826 -20.026 1.00 62.04 N ATOM 617 CA VAL A 38 6.739 -15.727 -19.124 1.00 21.22 C ATOM 618 C VAL A 38 7.613 -16.780 -19.854 1.00 74.32 C ATOM 619 O VAL A 38 7.749 -17.910 -19.381 1.00 21.03 O ATOM 620 CB VAL A 38 5.719 -16.455 -18.210 1.00 71.31 C ATOM 621 CG1 VAL A 38 4.903 -15.444 -17.407 1.00 13.44 C ATOM 622 CG2 VAL A 38 4.791 -17.346 -19.035 1.00 44.41 C ATOM 0 H VAL A 38 5.055 -15.136 -20.229 1.00 62.04 H new ATOM 0 HA VAL A 38 7.427 -15.106 -18.550 1.00 21.22 H new ATOM 0 HB VAL A 38 6.275 -17.085 -17.516 1.00 71.31 H new ATOM 0 HG11 VAL A 38 4.193 -15.973 -16.771 1.00 13.44 H new ATOM 0 HG12 VAL A 38 5.572 -14.848 -16.786 1.00 13.44 H new ATOM 0 HG13 VAL A 38 4.362 -14.789 -18.090 1.00 13.44 H new ATOM 0 HG21 VAL A 38 4.084 -17.847 -18.373 1.00 44.41 H new ATOM 0 HG22 VAL A 38 4.245 -16.735 -19.754 1.00 44.41 H new ATOM 0 HG23 VAL A 38 5.381 -18.092 -19.567 1.00 44.41 H new ATOM 632 N THR A 39 8.238 -16.410 -20.969 1.00 72.12 N ATOM 633 CA THR A 39 9.061 -17.371 -21.737 1.00 43.33 C ATOM 634 C THR A 39 10.348 -16.730 -22.283 1.00 14.41 C ATOM 635 O THR A 39 10.992 -17.271 -23.185 1.00 3.24 O ATOM 636 CB THR A 39 8.253 -17.973 -22.919 1.00 33.52 C ATOM 637 OG1 THR A 39 8.994 -19.024 -23.559 1.00 54.45 O ATOM 638 CG2 THR A 39 7.899 -16.907 -23.951 1.00 23.32 C ATOM 0 H THR A 39 8.199 -15.471 -21.365 1.00 72.12 H new ATOM 0 HA THR A 39 9.340 -18.162 -21.041 1.00 43.33 H new ATOM 0 HB THR A 39 7.331 -18.380 -22.505 1.00 33.52 H new ATOM 0 HG1 THR A 39 9.927 -18.746 -23.669 1.00 54.45 H new ATOM 0 HG21 THR A 39 7.334 -17.362 -24.765 1.00 23.32 H new ATOM 0 HG22 THR A 39 7.296 -16.131 -23.480 1.00 23.32 H new ATOM 0 HG23 THR A 39 8.814 -16.466 -24.347 1.00 23.32 H new ATOM 646 N GLU A 40 10.748 -15.600 -21.707 1.00 45.31 N ATOM 647 CA GLU A 40 11.863 -14.813 -22.247 1.00 62.53 C ATOM 648 C GLU A 40 13.241 -15.266 -21.723 1.00 44.14 C ATOM 649 O GLU A 40 13.436 -15.507 -20.524 1.00 21.21 O ATOM 650 CB GLU A 40 11.647 -13.324 -21.945 1.00 45.42 C ATOM 651 CG GLU A 40 10.301 -12.791 -22.434 1.00 15.31 C ATOM 652 CD GLU A 40 10.073 -13.022 -23.925 1.00 62.14 C ATOM 653 OE1 GLU A 40 10.495 -12.179 -24.743 1.00 32.31 O ATOM 654 OE2 GLU A 40 9.480 -14.058 -24.290 1.00 12.32 O ATOM 0 H GLU A 40 10.321 -15.206 -20.869 1.00 45.31 H new ATOM 0 HA GLU A 40 11.871 -14.980 -23.324 1.00 62.53 H new ATOM 0 HB2 GLU A 40 11.722 -13.165 -20.869 1.00 45.42 H new ATOM 0 HB3 GLU A 40 12.447 -12.748 -22.409 1.00 45.42 H new ATOM 0 HG2 GLU A 40 9.500 -13.271 -21.871 1.00 15.31 H new ATOM 0 HG3 GLU A 40 10.242 -11.723 -22.224 1.00 15.31 H new ATOM 661 N ARG A 41 14.193 -15.372 -22.652 1.00 1.42 N ATOM 662 CA ARG A 41 15.591 -15.708 -22.334 1.00 51.23 C ATOM 663 C ARG A 41 16.146 -14.868 -21.163 1.00 44.12 C ATOM 664 O ARG A 41 16.885 -15.383 -20.322 1.00 64.12 O ATOM 665 CB ARG A 41 16.491 -15.543 -23.580 1.00 71.21 C ATOM 666 CG ARG A 41 16.548 -14.120 -24.147 1.00 63.14 C ATOM 667 CD ARG A 41 15.268 -13.736 -24.887 1.00 11.10 C ATOM 668 NE ARG A 41 15.160 -12.295 -25.089 1.00 11.43 N ATOM 669 CZ ARG A 41 14.046 -11.673 -25.351 1.00 42.34 C ATOM 670 NH1 ARG A 41 12.949 -12.334 -25.534 1.00 4.31 N ATOM 671 NH2 ARG A 41 14.040 -10.384 -25.443 1.00 45.24 N ATOM 0 H ARG A 41 14.021 -15.228 -23.647 1.00 1.42 H new ATOM 0 HA ARG A 41 15.600 -16.752 -22.021 1.00 51.23 H new ATOM 0 HB2 ARG A 41 17.503 -15.858 -23.325 1.00 71.21 H new ATOM 0 HB3 ARG A 41 16.135 -16.216 -24.360 1.00 71.21 H new ATOM 0 HG2 ARG A 41 16.720 -13.415 -23.334 1.00 63.14 H new ATOM 0 HG3 ARG A 41 17.396 -14.036 -24.826 1.00 63.14 H new ATOM 0 HD2 ARG A 41 15.244 -14.240 -25.853 1.00 11.10 H new ATOM 0 HD3 ARG A 41 14.404 -14.088 -24.323 1.00 11.10 H new ATOM 0 HE ARG A 41 16.012 -11.739 -25.021 1.00 11.43 H new ATOM 0 HH11 ARG A 41 12.951 -13.352 -25.474 1.00 4.31 H new ATOM 0 HH12 ARG A 41 12.082 -11.837 -25.739 1.00 4.31 H new ATOM 0 HH21 ARG A 41 14.905 -9.859 -25.311 1.00 45.24 H new ATOM 0 HH22 ARG A 41 13.171 -9.891 -25.648 1.00 45.24 H new ATOM 685 N GLU A 42 15.784 -13.583 -21.099 1.00 55.23 N ATOM 686 CA GLU A 42 16.210 -12.713 -19.988 1.00 14.52 C ATOM 687 C GLU A 42 15.800 -13.285 -18.621 1.00 54.44 C ATOM 688 O GLU A 42 16.524 -13.136 -17.638 1.00 71.42 O ATOM 689 CB GLU A 42 15.658 -11.289 -20.170 1.00 23.01 C ATOM 690 CG GLU A 42 16.618 -10.339 -20.886 1.00 73.12 C ATOM 691 CD GLU A 42 17.124 -10.892 -22.211 1.00 31.15 C ATOM 692 OE1 GLU A 42 16.383 -10.822 -23.207 1.00 53.01 O ATOM 693 OE2 GLU A 42 18.268 -11.401 -22.261 1.00 32.23 O ATOM 0 H GLU A 42 15.201 -13.120 -21.796 1.00 55.23 H new ATOM 0 HA GLU A 42 17.299 -12.670 -20.008 1.00 14.52 H new ATOM 0 HB2 GLU A 42 14.726 -11.340 -20.733 1.00 23.01 H new ATOM 0 HB3 GLU A 42 15.416 -10.876 -19.191 1.00 23.01 H new ATOM 0 HG2 GLU A 42 16.115 -9.389 -21.064 1.00 73.12 H new ATOM 0 HG3 GLU A 42 17.468 -10.133 -20.236 1.00 73.12 H new ATOM 700 N TYR A 43 14.644 -13.946 -18.561 1.00 54.03 N ATOM 701 CA TYR A 43 14.249 -14.680 -17.355 1.00 52.23 C ATOM 702 C TYR A 43 15.173 -15.874 -17.125 1.00 40.33 C ATOM 703 O TYR A 43 15.558 -16.162 -15.997 1.00 44.44 O ATOM 704 CB TYR A 43 12.787 -15.148 -17.436 1.00 4.12 C ATOM 705 CG TYR A 43 11.799 -14.085 -17.010 1.00 74.34 C ATOM 706 CD1 TYR A 43 11.941 -13.455 -15.780 1.00 24.14 C ATOM 707 CD2 TYR A 43 10.731 -13.717 -17.817 1.00 62.10 C ATOM 708 CE1 TYR A 43 11.054 -12.490 -15.366 1.00 65.11 C ATOM 709 CE2 TYR A 43 9.837 -12.748 -17.409 1.00 32.33 C ATOM 710 CZ TYR A 43 10.006 -12.139 -16.180 1.00 63.21 C ATOM 711 OH TYR A 43 9.118 -11.178 -15.758 1.00 3.34 O ATOM 0 H TYR A 43 13.969 -13.990 -19.325 1.00 54.03 H new ATOM 0 HA TYR A 43 14.338 -13.997 -16.510 1.00 52.23 H new ATOM 0 HB2 TYR A 43 12.565 -15.452 -18.459 1.00 4.12 H new ATOM 0 HB3 TYR A 43 12.658 -16.028 -16.806 1.00 4.12 H new ATOM 0 HD1 TYR A 43 12.764 -13.729 -15.137 1.00 24.14 H new ATOM 0 HD2 TYR A 43 10.598 -14.195 -18.776 1.00 62.10 H new ATOM 0 HE1 TYR A 43 11.181 -12.011 -14.406 1.00 65.11 H new ATOM 0 HE2 TYR A 43 9.011 -12.468 -18.046 1.00 32.33 H new ATOM 0 HH TYR A 43 8.326 -11.610 -15.376 1.00 3.34 H new ATOM 721 N TYR A 44 15.533 -16.562 -18.204 1.00 72.22 N ATOM 722 CA TYR A 44 16.488 -17.677 -18.117 1.00 31.01 C ATOM 723 C TYR A 44 17.913 -17.187 -17.779 1.00 25.31 C ATOM 724 O TYR A 44 18.815 -17.992 -17.547 1.00 71.51 O ATOM 725 CB TYR A 44 16.498 -18.478 -19.425 1.00 51.32 C ATOM 726 CG TYR A 44 15.194 -19.204 -19.703 1.00 14.11 C ATOM 727 CD1 TYR A 44 14.984 -20.498 -19.236 1.00 50.50 C ATOM 728 CD2 TYR A 44 14.172 -18.595 -20.424 1.00 53.50 C ATOM 729 CE1 TYR A 44 13.799 -21.162 -19.482 1.00 13.13 C ATOM 730 CE2 TYR A 44 12.982 -19.253 -20.671 1.00 1.24 C ATOM 731 CZ TYR A 44 12.801 -20.536 -20.197 1.00 52.30 C ATOM 732 OH TYR A 44 11.617 -21.197 -20.439 1.00 20.10 O ATOM 0 H TYR A 44 15.185 -16.374 -19.144 1.00 72.22 H new ATOM 0 HA TYR A 44 16.160 -18.325 -17.305 1.00 31.01 H new ATOM 0 HB2 TYR A 44 16.712 -17.803 -20.253 1.00 51.32 H new ATOM 0 HB3 TYR A 44 17.309 -19.206 -19.390 1.00 51.32 H new ATOM 0 HD1 TYR A 44 15.761 -20.991 -18.671 1.00 50.50 H new ATOM 0 HD2 TYR A 44 14.311 -17.591 -20.797 1.00 53.50 H new ATOM 0 HE1 TYR A 44 13.655 -22.168 -19.116 1.00 13.13 H new ATOM 0 HE2 TYR A 44 12.198 -18.766 -21.232 1.00 1.24 H new ATOM 0 HH TYR A 44 11.018 -20.617 -20.955 1.00 20.10 H new ATOM 742 N GLU A 45 18.114 -15.866 -17.778 1.00 31.53 N ATOM 743 CA GLU A 45 19.385 -15.266 -17.337 1.00 54.55 C ATOM 744 C GLU A 45 19.380 -15.000 -15.816 1.00 62.05 C ATOM 745 O GLU A 45 20.435 -14.776 -15.212 1.00 43.42 O ATOM 746 CB GLU A 45 19.647 -13.956 -18.096 1.00 0.25 C ATOM 747 CG GLU A 45 19.789 -14.118 -19.609 1.00 3.12 C ATOM 748 CD GLU A 45 21.043 -14.878 -20.021 1.00 23.22 C ATOM 749 OE1 GLU A 45 22.098 -14.233 -20.213 1.00 42.34 O ATOM 750 OE2 GLU A 45 20.979 -16.116 -20.170 1.00 52.23 O ATOM 0 H GLU A 45 17.414 -15.187 -18.077 1.00 31.53 H new ATOM 0 HA GLU A 45 20.183 -15.975 -17.557 1.00 54.55 H new ATOM 0 HB2 GLU A 45 18.830 -13.263 -17.893 1.00 0.25 H new ATOM 0 HB3 GLU A 45 20.557 -13.500 -17.705 1.00 0.25 H new ATOM 0 HG2 GLU A 45 18.913 -14.640 -19.995 1.00 3.12 H new ATOM 0 HG3 GLU A 45 19.802 -13.132 -20.073 1.00 3.12 H new ATOM 757 N ASP A 46 18.180 -15.011 -15.220 1.00 71.10 N ATOM 758 CA ASP A 46 17.983 -14.865 -13.764 1.00 31.44 C ATOM 759 C ASP A 46 18.328 -13.450 -13.242 1.00 5.44 C ATOM 760 O ASP A 46 17.442 -12.717 -12.800 1.00 15.23 O ATOM 761 CB ASP A 46 18.789 -15.922 -12.999 1.00 63.04 C ATOM 762 CG ASP A 46 18.516 -17.336 -13.489 1.00 54.15 C ATOM 763 OD1 ASP A 46 17.343 -17.766 -13.459 1.00 42.52 O ATOM 764 OD2 ASP A 46 19.479 -18.026 -13.892 1.00 34.12 O ATOM 0 H ASP A 46 17.308 -15.122 -15.737 1.00 71.10 H new ATOM 0 HA ASP A 46 16.919 -15.018 -13.583 1.00 31.44 H new ATOM 0 HB2 ASP A 46 19.853 -15.706 -13.100 1.00 63.04 H new ATOM 0 HB3 ASP A 46 18.550 -15.857 -11.937 1.00 63.04 H new ATOM 769 N PHE A 47 19.616 -13.083 -13.284 1.00 24.42 N ATOM 770 CA PHE A 47 20.103 -11.787 -12.765 1.00 61.12 C ATOM 771 C PHE A 47 19.972 -11.693 -11.232 1.00 23.24 C ATOM 772 O PHE A 47 20.973 -11.701 -10.511 1.00 34.54 O ATOM 773 CB PHE A 47 19.368 -10.605 -13.425 1.00 73.35 C ATOM 774 CG PHE A 47 19.540 -10.532 -14.924 1.00 72.23 C ATOM 775 CD1 PHE A 47 20.770 -10.207 -15.479 1.00 40.44 C ATOM 776 CD2 PHE A 47 18.471 -10.784 -15.775 1.00 35.33 C ATOM 777 CE1 PHE A 47 20.930 -10.137 -16.850 1.00 42.40 C ATOM 778 CE2 PHE A 47 18.628 -10.714 -17.146 1.00 53.21 C ATOM 779 CZ PHE A 47 19.859 -10.389 -17.683 1.00 23.42 C ATOM 0 H PHE A 47 20.352 -13.670 -13.676 1.00 24.42 H new ATOM 0 HA PHE A 47 21.161 -11.730 -13.020 1.00 61.12 H new ATOM 0 HB2 PHE A 47 18.305 -10.678 -13.195 1.00 73.35 H new ATOM 0 HB3 PHE A 47 19.727 -9.675 -12.983 1.00 73.35 H new ATOM 0 HD1 PHE A 47 21.611 -10.007 -14.832 1.00 40.44 H new ATOM 0 HD2 PHE A 47 17.507 -11.037 -15.360 1.00 35.33 H new ATOM 0 HE1 PHE A 47 21.893 -9.885 -17.269 1.00 42.40 H new ATOM 0 HE2 PHE A 47 17.790 -10.913 -17.797 1.00 53.21 H new ATOM 0 HZ PHE A 47 19.983 -10.332 -18.754 1.00 23.42 H new ATOM 789 N GLY A 48 18.735 -11.591 -10.748 1.00 4.25 N ATOM 790 CA GLY A 48 18.470 -11.531 -9.311 1.00 53.00 C ATOM 791 C GLY A 48 17.234 -12.338 -8.922 1.00 64.52 C ATOM 792 O GLY A 48 16.124 -12.031 -9.360 1.00 45.34 O ATOM 0 H GLY A 48 17.899 -11.548 -11.331 1.00 4.25 H new ATOM 0 HA2 GLY A 48 19.336 -11.909 -8.767 1.00 53.00 H new ATOM 0 HA3 GLY A 48 18.334 -10.492 -9.011 1.00 53.00 H new ATOM 1115 N PRO A 71 -0.799 -16.374 -4.187 1.00 4.51 N ATOM 1116 CA PRO A 71 -0.373 -17.524 -4.989 1.00 63.15 C ATOM 1117 C PRO A 71 -1.453 -18.617 -5.172 1.00 72.30 C ATOM 1118 O PRO A 71 -1.214 -19.613 -5.859 1.00 15.21 O ATOM 1119 CB PRO A 71 0.775 -18.058 -4.131 1.00 72.20 C ATOM 1120 CG PRO A 71 0.319 -17.832 -2.717 1.00 33.24 C ATOM 1121 CD PRO A 71 -0.664 -16.671 -2.748 1.00 33.54 C ATOM 0 HA PRO A 71 -0.127 -17.244 -6.013 1.00 63.15 H new ATOM 0 HB2 PRO A 71 0.959 -19.115 -4.326 1.00 72.20 H new ATOM 0 HB3 PRO A 71 1.705 -17.529 -4.338 1.00 72.20 H new ATOM 0 HG2 PRO A 71 -0.155 -18.728 -2.317 1.00 33.24 H new ATOM 0 HG3 PRO A 71 1.166 -17.603 -2.070 1.00 33.24 H new ATOM 0 HD2 PRO A 71 -1.621 -16.943 -2.303 1.00 33.54 H new ATOM 0 HD3 PRO A 71 -0.287 -15.811 -2.194 1.00 33.54 H new ATOM 1129 N LYS A 72 -2.628 -18.445 -4.560 1.00 13.22 N ATOM 1130 CA LYS A 72 -3.673 -19.490 -4.592 1.00 42.41 C ATOM 1131 C LYS A 72 -4.873 -19.154 -5.500 1.00 21.54 C ATOM 1132 O LYS A 72 -5.217 -19.931 -6.390 1.00 33.31 O ATOM 1133 CB LYS A 72 -4.159 -19.800 -3.165 1.00 54.45 C ATOM 1134 CG LYS A 72 -3.161 -20.620 -2.349 1.00 25.23 C ATOM 1135 CD LYS A 72 -3.696 -20.967 -0.961 1.00 50.15 C ATOM 1136 CE LYS A 72 -2.794 -21.964 -0.236 1.00 75.21 C ATOM 1137 NZ LYS A 72 -1.388 -21.485 -0.139 1.00 61.14 N ATOM 0 H LYS A 72 -2.884 -17.605 -4.041 1.00 13.22 H new ATOM 0 HA LYS A 72 -3.202 -20.370 -5.030 1.00 42.41 H new ATOM 0 HB2 LYS A 72 -4.359 -18.863 -2.645 1.00 54.45 H new ATOM 0 HB3 LYS A 72 -5.103 -20.341 -3.220 1.00 54.45 H new ATOM 0 HG2 LYS A 72 -2.924 -21.539 -2.885 1.00 25.23 H new ATOM 0 HG3 LYS A 72 -2.231 -20.061 -2.248 1.00 25.23 H new ATOM 0 HD2 LYS A 72 -3.782 -20.057 -0.367 1.00 50.15 H new ATOM 0 HD3 LYS A 72 -4.699 -21.384 -1.052 1.00 50.15 H new ATOM 0 HE2 LYS A 72 -3.185 -22.143 0.766 1.00 75.21 H new ATOM 0 HE3 LYS A 72 -2.815 -22.919 -0.761 1.00 75.21 H new ATOM 0 HZ1 LYS A 72 -0.836 -22.144 0.447 1.00 61.14 H new ATOM 0 HZ2 LYS A 72 -0.971 -21.436 -1.091 1.00 61.14 H new ATOM 0 HZ3 LYS A 72 -1.372 -20.540 0.295 1.00 61.14 H new ATOM 1151 N LEU A 73 -5.504 -18.006 -5.277 1.00 4.33 N ATOM 1152 CA LEU A 73 -6.802 -17.693 -5.908 1.00 52.03 C ATOM 1153 C LEU A 73 -6.673 -17.420 -7.424 1.00 23.41 C ATOM 1154 O LEU A 73 -7.611 -17.673 -8.186 1.00 50.31 O ATOM 1155 CB LEU A 73 -7.444 -16.492 -5.177 1.00 70.51 C ATOM 1156 CG LEU A 73 -8.977 -16.329 -5.304 1.00 14.02 C ATOM 1157 CD1 LEU A 73 -9.384 -15.785 -6.671 1.00 52.31 C ATOM 1158 CD2 LEU A 73 -9.688 -17.651 -5.016 1.00 11.32 C ATOM 0 H LEU A 73 -5.146 -17.271 -4.666 1.00 4.33 H new ATOM 0 HA LEU A 73 -7.447 -18.567 -5.813 1.00 52.03 H new ATOM 0 HB2 LEU A 73 -7.198 -16.570 -4.118 1.00 70.51 H new ATOM 0 HB3 LEU A 73 -6.975 -15.580 -5.547 1.00 70.51 H new ATOM 0 HG LEU A 73 -9.286 -15.597 -4.558 1.00 14.02 H new ATOM 0 HD11 LEU A 73 -10.469 -15.687 -6.715 1.00 52.31 H new ATOM 0 HD12 LEU A 73 -8.925 -14.809 -6.826 1.00 52.31 H new ATOM 0 HD13 LEU A 73 -9.050 -16.471 -7.450 1.00 52.31 H new ATOM 0 HD21 LEU A 73 -10.765 -17.513 -5.111 1.00 11.32 H new ATOM 0 HD22 LEU A 73 -9.355 -18.406 -5.728 1.00 11.32 H new ATOM 0 HD23 LEU A 73 -9.452 -17.978 -4.003 1.00 11.32 H new ATOM 1170 N LEU A 74 -5.516 -16.914 -7.857 1.00 34.10 N ATOM 1171 CA LEU A 74 -5.294 -16.563 -9.278 1.00 0.14 C ATOM 1172 C LEU A 74 -5.566 -17.749 -10.237 1.00 21.00 C ATOM 1173 O LEU A 74 -5.507 -18.917 -9.835 1.00 73.40 O ATOM 1174 CB LEU A 74 -3.856 -16.040 -9.490 1.00 74.20 C ATOM 1175 CG LEU A 74 -2.737 -17.102 -9.479 1.00 33.35 C ATOM 1176 CD1 LEU A 74 -1.391 -16.482 -9.850 1.00 24.10 C ATOM 1177 CD2 LEU A 74 -2.646 -17.787 -8.122 1.00 1.40 C ATOM 0 H LEU A 74 -4.714 -16.735 -7.252 1.00 34.10 H new ATOM 0 HA LEU A 74 -6.010 -15.777 -9.519 1.00 0.14 H new ATOM 0 HB2 LEU A 74 -3.820 -15.514 -10.444 1.00 74.20 H new ATOM 0 HB3 LEU A 74 -3.640 -15.307 -8.713 1.00 74.20 H new ATOM 0 HG LEU A 74 -2.988 -17.854 -10.227 1.00 33.35 H new ATOM 0 HD11 LEU A 74 -0.619 -17.252 -9.835 1.00 24.10 H new ATOM 0 HD12 LEU A 74 -1.453 -16.049 -10.849 1.00 24.10 H new ATOM 0 HD13 LEU A 74 -1.139 -15.702 -9.132 1.00 24.10 H new ATOM 0 HD21 LEU A 74 -1.849 -18.531 -8.142 1.00 1.40 H new ATOM 0 HD22 LEU A 74 -2.430 -17.045 -7.354 1.00 1.40 H new ATOM 0 HD23 LEU A 74 -3.594 -18.277 -7.897 1.00 1.40 H new ATOM 1189 N PRO A 75 -5.866 -17.458 -11.530 1.00 20.42 N ATOM 1190 CA PRO A 75 -6.123 -18.498 -12.552 1.00 21.24 C ATOM 1191 C PRO A 75 -4.994 -19.543 -12.656 1.00 42.51 C ATOM 1192 O PRO A 75 -3.847 -19.284 -12.284 1.00 74.33 O ATOM 1193 CB PRO A 75 -6.252 -17.699 -13.867 1.00 24.11 C ATOM 1194 CG PRO A 75 -5.716 -16.335 -13.562 1.00 10.24 C ATOM 1195 CD PRO A 75 -5.991 -16.103 -12.102 1.00 33.04 C ATOM 0 HA PRO A 75 -7.009 -19.082 -12.305 1.00 21.24 H new ATOM 0 HB2 PRO A 75 -5.687 -18.172 -14.670 1.00 24.11 H new ATOM 0 HB3 PRO A 75 -7.290 -17.648 -14.195 1.00 24.11 H new ATOM 0 HG2 PRO A 75 -4.648 -16.279 -13.772 1.00 10.24 H new ATOM 0 HG3 PRO A 75 -6.202 -15.577 -14.177 1.00 10.24 H new ATOM 0 HD2 PRO A 75 -5.276 -15.409 -11.660 1.00 33.04 H new ATOM 0 HD3 PRO A 75 -6.984 -15.684 -11.938 1.00 33.04 H new ATOM 1203 N TYR A 76 -5.322 -20.728 -13.171 1.00 4.01 N ATOM 1204 CA TYR A 76 -4.349 -21.824 -13.246 1.00 14.15 C ATOM 1205 C TYR A 76 -3.738 -21.970 -14.654 1.00 11.13 C ATOM 1206 O TYR A 76 -4.335 -22.561 -15.558 1.00 42.23 O ATOM 1207 CB TYR A 76 -4.993 -23.151 -12.786 1.00 72.04 C ATOM 1208 CG TYR A 76 -6.232 -23.577 -13.566 1.00 61.54 C ATOM 1209 CD1 TYR A 76 -7.434 -22.893 -13.431 1.00 73.31 C ATOM 1210 CD2 TYR A 76 -6.195 -24.668 -14.431 1.00 2.44 C ATOM 1211 CE1 TYR A 76 -8.561 -23.280 -14.131 1.00 33.34 C ATOM 1212 CE2 TYR A 76 -7.317 -25.061 -15.136 1.00 42.33 C ATOM 1213 CZ TYR A 76 -8.500 -24.364 -14.982 1.00 21.42 C ATOM 1214 OH TYR A 76 -9.622 -24.749 -15.686 1.00 61.13 O ATOM 0 H TYR A 76 -6.245 -20.955 -13.540 1.00 4.01 H new ATOM 0 HA TYR A 76 -3.530 -21.576 -12.570 1.00 14.15 H new ATOM 0 HB2 TYR A 76 -4.247 -23.943 -12.859 1.00 72.04 H new ATOM 0 HB3 TYR A 76 -5.260 -23.061 -11.733 1.00 72.04 H new ATOM 0 HD1 TYR A 76 -7.489 -22.043 -12.767 1.00 73.31 H new ATOM 0 HD2 TYR A 76 -5.273 -25.217 -14.553 1.00 2.44 H new ATOM 0 HE1 TYR A 76 -9.486 -22.736 -14.012 1.00 33.34 H new ATOM 0 HE2 TYR A 76 -7.269 -25.908 -15.804 1.00 42.33 H new ATOM 0 HH TYR A 76 -9.409 -25.529 -16.240 1.00 61.13 H new ATOM 1224 N ASP A 77 -2.553 -21.389 -14.839 1.00 1.20 N ATOM 1225 CA ASP A 77 -1.746 -21.614 -16.045 1.00 71.54 C ATOM 1226 C ASP A 77 -0.379 -22.196 -15.660 1.00 3.52 C ATOM 1227 O ASP A 77 0.177 -21.843 -14.623 1.00 11.41 O ATOM 1228 CB ASP A 77 -1.565 -20.313 -16.834 1.00 74.13 C ATOM 1229 CG ASP A 77 -0.840 -20.540 -18.154 1.00 62.45 C ATOM 1230 OD1 ASP A 77 0.410 -20.559 -18.163 1.00 71.22 O ATOM 1231 OD2 ASP A 77 -1.517 -20.712 -19.187 1.00 43.33 O ATOM 0 H ASP A 77 -2.125 -20.754 -14.165 1.00 1.20 H new ATOM 0 HA ASP A 77 -2.271 -22.326 -16.682 1.00 71.54 H new ATOM 0 HB2 ASP A 77 -2.541 -19.869 -17.029 1.00 74.13 H new ATOM 0 HB3 ASP A 77 -1.004 -19.599 -16.231 1.00 74.13 H new ATOM 1236 N LYS A 78 0.168 -23.068 -16.500 1.00 14.41 N ATOM 1237 CA LYS A 78 1.441 -23.733 -16.199 1.00 4.11 C ATOM 1238 C LYS A 78 2.631 -22.752 -16.233 1.00 20.32 C ATOM 1239 O LYS A 78 3.382 -22.636 -15.260 1.00 41.41 O ATOM 1240 CB LYS A 78 1.672 -24.889 -17.184 1.00 55.12 C ATOM 1241 CG LYS A 78 2.946 -25.689 -16.915 1.00 4.24 C ATOM 1242 CD LYS A 78 2.979 -26.255 -15.493 1.00 74.44 C ATOM 1243 CE LYS A 78 1.813 -27.203 -15.220 1.00 32.44 C ATOM 1244 NZ LYS A 78 1.829 -27.717 -13.825 1.00 13.11 N ATOM 0 H LYS A 78 -0.245 -23.334 -17.394 1.00 14.41 H new ATOM 0 HA LYS A 78 1.378 -24.126 -15.184 1.00 4.11 H new ATOM 0 HB2 LYS A 78 0.817 -25.563 -17.144 1.00 55.12 H new ATOM 0 HB3 LYS A 78 1.714 -24.487 -18.196 1.00 55.12 H new ATOM 0 HG2 LYS A 78 3.019 -26.507 -17.632 1.00 4.24 H new ATOM 0 HG3 LYS A 78 3.815 -25.050 -17.071 1.00 4.24 H new ATOM 0 HD2 LYS A 78 3.919 -26.784 -15.337 1.00 74.44 H new ATOM 0 HD3 LYS A 78 2.952 -25.434 -14.777 1.00 74.44 H new ATOM 0 HE2 LYS A 78 0.873 -26.684 -15.404 1.00 32.44 H new ATOM 0 HE3 LYS A 78 1.856 -28.041 -15.916 1.00 32.44 H new ATOM 0 HZ1 LYS A 78 1.021 -28.356 -13.681 1.00 13.11 H new ATOM 0 HZ2 LYS A 78 2.715 -28.235 -13.656 1.00 13.11 H new ATOM 0 HZ3 LYS A 78 1.762 -26.920 -13.161 1.00 13.11 H new ATOM 1258 N ARG A 79 2.788 -22.038 -17.347 1.00 72.30 N ATOM 1259 CA ARG A 79 3.923 -21.124 -17.526 1.00 53.43 C ATOM 1260 C ARG A 79 3.816 -19.898 -16.603 1.00 43.22 C ATOM 1261 O ARG A 79 4.810 -19.459 -16.011 1.00 42.22 O ATOM 1262 CB ARG A 79 4.019 -20.670 -18.990 1.00 51.31 C ATOM 1263 CG ARG A 79 4.398 -21.780 -19.967 1.00 70.24 C ATOM 1264 CD ARG A 79 4.544 -21.249 -21.394 1.00 51.33 C ATOM 1265 NE ARG A 79 5.079 -22.258 -22.311 1.00 61.13 N ATOM 1266 CZ ARG A 79 5.635 -21.987 -23.466 1.00 22.21 C ATOM 1267 NH1 ARG A 79 5.733 -20.763 -23.878 1.00 50.11 N ATOM 1268 NH2 ARG A 79 6.082 -22.945 -24.214 1.00 14.55 N ATOM 0 H ARG A 79 2.147 -22.072 -18.139 1.00 72.30 H new ATOM 0 HA ARG A 79 4.828 -21.669 -17.258 1.00 53.43 H new ATOM 0 HB2 ARG A 79 3.060 -20.248 -19.291 1.00 51.31 H new ATOM 0 HB3 ARG A 79 4.756 -19.870 -19.063 1.00 51.31 H new ATOM 0 HG2 ARG A 79 5.335 -22.239 -19.651 1.00 70.24 H new ATOM 0 HG3 ARG A 79 3.637 -22.560 -19.945 1.00 70.24 H new ATOM 0 HD2 ARG A 79 3.572 -20.912 -21.755 1.00 51.33 H new ATOM 0 HD3 ARG A 79 5.202 -20.380 -21.390 1.00 51.33 H new ATOM 0 HE ARG A 79 5.014 -23.237 -22.032 1.00 61.13 H new ATOM 0 HH11 ARG A 79 5.376 -20.001 -23.302 1.00 50.11 H new ATOM 0 HH12 ARG A 79 6.167 -20.561 -24.779 1.00 50.11 H new ATOM 0 HH21 ARG A 79 6.002 -23.914 -23.904 1.00 14.55 H new ATOM 0 HH22 ARG A 79 6.514 -22.731 -25.113 1.00 14.55 H new ATOM 1282 N LEU A 80 2.611 -19.341 -16.491 1.00 53.54 N ATOM 1283 CA LEU A 80 2.368 -18.202 -15.600 1.00 22.23 C ATOM 1284 C LEU A 80 2.634 -18.578 -14.133 1.00 64.44 C ATOM 1285 O LEU A 80 3.226 -17.796 -13.386 1.00 43.42 O ATOM 1286 CB LEU A 80 0.932 -17.670 -15.766 1.00 65.23 C ATOM 1287 CG LEU A 80 0.709 -16.709 -16.953 1.00 21.13 C ATOM 1288 CD1 LEU A 80 1.085 -17.363 -18.282 1.00 52.31 C ATOM 1289 CD2 LEU A 80 -0.738 -16.220 -16.980 1.00 61.42 C ATOM 0 H LEU A 80 1.788 -19.657 -17.004 1.00 53.54 H new ATOM 0 HA LEU A 80 3.063 -17.410 -15.880 1.00 22.23 H new ATOM 0 HB2 LEU A 80 0.260 -18.520 -15.879 1.00 65.23 H new ATOM 0 HB3 LEU A 80 0.645 -17.157 -14.848 1.00 65.23 H new ATOM 0 HG LEU A 80 1.364 -15.849 -16.814 1.00 21.13 H new ATOM 0 HD11 LEU A 80 0.915 -16.658 -19.095 1.00 52.31 H new ATOM 0 HD12 LEU A 80 2.137 -17.648 -18.262 1.00 52.31 H new ATOM 0 HD13 LEU A 80 0.471 -18.250 -18.437 1.00 52.31 H new ATOM 0 HD21 LEU A 80 -0.878 -15.543 -17.823 1.00 61.42 H new ATOM 0 HD22 LEU A 80 -1.408 -17.073 -17.084 1.00 61.42 H new ATOM 0 HD23 LEU A 80 -0.962 -15.694 -16.052 1.00 61.42 H new ATOM 1301 N ALA A 81 2.207 -19.781 -13.733 1.00 22.35 N ATOM 1302 CA ALA A 81 2.432 -20.266 -12.365 1.00 62.01 C ATOM 1303 C ALA A 81 3.927 -20.328 -12.026 1.00 11.01 C ATOM 1304 O ALA A 81 4.351 -19.817 -10.987 1.00 43.11 O ATOM 1305 CB ALA A 81 1.785 -21.634 -12.156 1.00 43.52 C ATOM 0 H ALA A 81 1.705 -20.435 -14.334 1.00 22.35 H new ATOM 0 HA ALA A 81 1.963 -19.552 -11.688 1.00 62.01 H new ATOM 0 HB1 ALA A 81 1.966 -21.970 -11.135 1.00 43.52 H new ATOM 0 HB2 ALA A 81 0.711 -21.559 -12.328 1.00 43.52 H new ATOM 0 HB3 ALA A 81 2.215 -22.351 -12.856 1.00 43.52 H new ATOM 1311 N TRP A 82 4.724 -20.946 -12.902 1.00 24.42 N ATOM 1312 CA TRP A 82 6.177 -21.020 -12.698 1.00 40.14 C ATOM 1313 C TRP A 82 6.770 -19.617 -12.491 1.00 50.12 C ATOM 1314 O TRP A 82 7.285 -19.304 -11.425 1.00 61.35 O ATOM 1315 CB TRP A 82 6.864 -21.709 -13.890 1.00 22.33 C ATOM 1316 CG TRP A 82 8.360 -21.849 -13.732 1.00 34.14 C ATOM 1317 CD1 TRP A 82 9.318 -20.944 -14.103 1.00 14.45 C ATOM 1318 CD2 TRP A 82 9.068 -22.962 -13.164 1.00 35.42 C ATOM 1319 NE1 TRP A 82 10.570 -21.422 -13.797 1.00 42.10 N ATOM 1320 CE2 TRP A 82 10.443 -22.659 -13.219 1.00 23.35 C ATOM 1321 CE3 TRP A 82 8.670 -24.183 -12.611 1.00 10.53 C ATOM 1322 CZ2 TRP A 82 11.420 -23.531 -12.743 1.00 2.12 C ATOM 1323 CZ3 TRP A 82 9.641 -25.049 -12.140 1.00 2.31 C ATOM 1324 CH2 TRP A 82 11.001 -24.719 -12.208 1.00 54.41 C ATOM 0 H TRP A 82 4.393 -21.400 -13.753 1.00 24.42 H new ATOM 0 HA TRP A 82 6.357 -21.613 -11.801 1.00 40.14 H new ATOM 0 HB2 TRP A 82 6.428 -22.699 -14.027 1.00 22.33 H new ATOM 0 HB3 TRP A 82 6.655 -21.141 -14.796 1.00 22.33 H new ATOM 0 HD1 TRP A 82 9.119 -19.991 -14.570 1.00 14.45 H new ATOM 0 HE1 TRP A 82 11.450 -20.936 -13.971 1.00 42.10 H new ATOM 0 HE3 TRP A 82 7.624 -24.445 -12.553 1.00 10.53 H new ATOM 0 HZ2 TRP A 82 12.469 -23.279 -12.794 1.00 2.12 H new ATOM 0 HZ3 TRP A 82 9.345 -25.996 -11.713 1.00 2.31 H new ATOM 0 HH2 TRP A 82 11.734 -25.417 -11.830 1.00 54.41 H new ATOM 1335 N HIS A 83 6.668 -18.772 -13.510 1.00 24.01 N ATOM 1336 CA HIS A 83 7.222 -17.415 -13.449 1.00 72.04 C ATOM 1337 C HIS A 83 6.725 -16.634 -12.216 1.00 2.43 C ATOM 1338 O HIS A 83 7.523 -16.241 -11.357 1.00 55.33 O ATOM 1339 CB HIS A 83 6.882 -16.650 -14.736 1.00 3.45 C ATOM 1340 CG HIS A 83 7.064 -15.163 -14.632 1.00 71.02 C ATOM 1341 ND1 HIS A 83 6.011 -14.277 -14.667 1.00 51.51 N ATOM 1342 CD2 HIS A 83 8.174 -14.407 -14.481 1.00 14.51 C ATOM 1343 CE1 HIS A 83 6.462 -13.049 -14.540 1.00 0.50 C ATOM 1344 NE2 HIS A 83 7.767 -13.097 -14.424 1.00 31.54 N ATOM 0 H HIS A 83 6.207 -18.998 -14.391 1.00 24.01 H new ATOM 0 HA HIS A 83 8.304 -17.509 -13.355 1.00 72.04 H new ATOM 0 HB2 HIS A 83 7.508 -17.026 -15.545 1.00 3.45 H new ATOM 0 HB3 HIS A 83 5.848 -16.860 -15.008 1.00 3.45 H new ATOM 0 HD1 HIS A 83 5.030 -14.534 -14.775 1.00 51.51 H new ATOM 0 HD2 HIS A 83 9.191 -14.766 -14.417 1.00 14.51 H new ATOM 0 HE1 HIS A 83 5.860 -12.153 -14.532 1.00 0.50 H new ATOM 1353 N PHE A 84 5.411 -16.413 -12.134 1.00 34.12 N ATOM 1354 CA PHE A 84 4.834 -15.602 -11.054 1.00 43.00 C ATOM 1355 C PHE A 84 5.257 -16.122 -9.667 1.00 32.50 C ATOM 1356 O PHE A 84 5.866 -15.395 -8.878 1.00 53.41 O ATOM 1357 CB PHE A 84 3.295 -15.574 -11.138 1.00 73.21 C ATOM 1358 CG PHE A 84 2.706 -14.877 -12.355 1.00 32.54 C ATOM 1359 CD1 PHE A 84 3.465 -14.043 -13.178 1.00 31.41 C ATOM 1360 CD2 PHE A 84 1.363 -15.054 -12.665 1.00 63.51 C ATOM 1361 CE1 PHE A 84 2.894 -13.418 -14.270 1.00 21.42 C ATOM 1362 CE2 PHE A 84 0.793 -14.426 -13.755 1.00 23.53 C ATOM 1363 CZ PHE A 84 1.559 -13.607 -14.558 1.00 72.41 C ATOM 0 H PHE A 84 4.728 -16.781 -12.797 1.00 34.12 H new ATOM 0 HA PHE A 84 5.218 -14.590 -11.182 1.00 43.00 H new ATOM 0 HB2 PHE A 84 2.931 -16.601 -11.121 1.00 73.21 H new ATOM 0 HB3 PHE A 84 2.911 -15.085 -10.243 1.00 73.21 H new ATOM 0 HD1 PHE A 84 4.511 -13.885 -12.959 1.00 31.41 H new ATOM 0 HD2 PHE A 84 0.755 -15.694 -12.043 1.00 63.51 H new ATOM 0 HE1 PHE A 84 3.495 -12.779 -14.900 1.00 21.42 H new ATOM 0 HE2 PHE A 84 -0.253 -14.576 -13.979 1.00 23.53 H new ATOM 0 HZ PHE A 84 1.114 -13.115 -15.410 1.00 72.41 H new ATOM 1373 N LYS A 85 4.961 -17.395 -9.390 1.00 14.24 N ATOM 1374 CA LYS A 85 5.146 -17.959 -8.045 1.00 11.11 C ATOM 1375 C LYS A 85 6.623 -18.256 -7.721 1.00 54.34 C ATOM 1376 O LYS A 85 7.085 -17.962 -6.620 1.00 52.31 O ATOM 1377 CB LYS A 85 4.293 -19.229 -7.874 1.00 61.12 C ATOM 1378 CG LYS A 85 2.815 -19.017 -8.204 1.00 41.32 C ATOM 1379 CD LYS A 85 1.962 -20.240 -7.866 1.00 31.04 C ATOM 1380 CE LYS A 85 0.537 -20.090 -8.392 1.00 25.31 C ATOM 1381 NZ LYS A 85 -0.367 -21.158 -7.886 1.00 43.42 N ATOM 0 H LYS A 85 4.593 -18.055 -10.075 1.00 14.24 H new ATOM 0 HA LYS A 85 4.813 -17.201 -7.336 1.00 11.11 H new ATOM 0 HB2 LYS A 85 4.692 -20.015 -8.516 1.00 61.12 H new ATOM 0 HB3 LYS A 85 4.381 -19.581 -6.846 1.00 61.12 H new ATOM 0 HG2 LYS A 85 2.442 -18.154 -7.653 1.00 41.32 H new ATOM 0 HG3 LYS A 85 2.711 -18.787 -9.264 1.00 41.32 H new ATOM 0 HD2 LYS A 85 2.417 -21.133 -8.295 1.00 31.04 H new ATOM 0 HD3 LYS A 85 1.939 -20.382 -6.786 1.00 31.04 H new ATOM 0 HE2 LYS A 85 0.145 -19.116 -8.099 1.00 25.31 H new ATOM 0 HE3 LYS A 85 0.550 -20.114 -9.482 1.00 25.31 H new ATOM 0 HZ1 LYS A 85 -1.047 -21.418 -8.629 1.00 43.42 H new ATOM 0 HZ2 LYS A 85 0.195 -21.993 -7.624 1.00 43.42 H new ATOM 0 HZ3 LYS A 85 -0.881 -20.811 -7.051 1.00 43.42 H new ATOM 1395 N GLU A 86 7.367 -18.822 -8.673 1.00 71.13 N ATOM 1396 CA GLU A 86 8.778 -19.177 -8.436 1.00 31.14 C ATOM 1397 C GLU A 86 9.656 -17.935 -8.213 1.00 52.35 C ATOM 1398 O GLU A 86 10.724 -18.030 -7.619 1.00 31.14 O ATOM 1399 CB GLU A 86 9.331 -20.032 -9.592 1.00 14.11 C ATOM 1400 CG GLU A 86 10.807 -20.424 -9.458 1.00 74.13 C ATOM 1401 CD GLU A 86 11.139 -21.129 -8.146 1.00 4.33 C ATOM 1402 OE1 GLU A 86 10.349 -21.993 -7.704 1.00 51.42 O ATOM 1403 OE2 GLU A 86 12.207 -20.841 -7.561 1.00 22.25 O ATOM 0 H GLU A 86 7.026 -19.045 -9.608 1.00 71.13 H new ATOM 0 HA GLU A 86 8.810 -19.767 -7.520 1.00 31.14 H new ATOM 0 HB2 GLU A 86 8.735 -20.941 -9.669 1.00 14.11 H new ATOM 0 HB3 GLU A 86 9.199 -19.484 -10.525 1.00 14.11 H new ATOM 0 HG2 GLU A 86 11.077 -21.076 -10.289 1.00 74.13 H new ATOM 0 HG3 GLU A 86 11.421 -19.527 -9.544 1.00 74.13 H new ATOM 1410 N PHE A 87 9.219 -16.768 -8.693 1.00 21.31 N ATOM 1411 CA PHE A 87 9.941 -15.524 -8.396 1.00 42.04 C ATOM 1412 C PHE A 87 9.429 -14.831 -7.115 1.00 30.04 C ATOM 1413 O PHE A 87 10.201 -14.607 -6.188 1.00 51.25 O ATOM 1414 CB PHE A 87 9.892 -14.563 -9.592 1.00 61.42 C ATOM 1415 CG PHE A 87 10.804 -14.979 -10.725 1.00 63.15 C ATOM 1416 CD1 PHE A 87 12.173 -15.091 -10.521 1.00 34.34 C ATOM 1417 CD2 PHE A 87 10.301 -15.261 -11.988 1.00 70.20 C ATOM 1418 CE1 PHE A 87 13.015 -15.473 -11.547 1.00 65.52 C ATOM 1419 CE2 PHE A 87 11.142 -15.644 -13.018 1.00 72.02 C ATOM 1420 CZ PHE A 87 12.499 -15.749 -12.796 1.00 32.44 C ATOM 0 H PHE A 87 8.389 -16.656 -9.275 1.00 21.31 H new ATOM 0 HA PHE A 87 10.979 -15.801 -8.212 1.00 42.04 H new ATOM 0 HB2 PHE A 87 8.868 -14.503 -9.961 1.00 61.42 H new ATOM 0 HB3 PHE A 87 10.169 -13.563 -9.259 1.00 61.42 H new ATOM 0 HD1 PHE A 87 12.585 -14.876 -9.546 1.00 34.34 H new ATOM 0 HD2 PHE A 87 9.239 -15.180 -12.169 1.00 70.20 H new ATOM 0 HE1 PHE A 87 14.077 -15.556 -11.371 1.00 65.52 H new ATOM 0 HE2 PHE A 87 10.736 -15.861 -13.995 1.00 72.02 H new ATOM 0 HZ PHE A 87 13.157 -16.047 -13.599 1.00 32.44 H new ATOM 1430 N CYS A 88 8.134 -14.501 -7.052 1.00 52.21 N ATOM 1431 CA CYS A 88 7.590 -13.743 -5.902 1.00 21.53 C ATOM 1432 C CYS A 88 7.529 -14.590 -4.617 1.00 31.30 C ATOM 1433 O CYS A 88 7.741 -14.083 -3.517 1.00 52.00 O ATOM 1434 CB CYS A 88 6.192 -13.190 -6.221 1.00 44.32 C ATOM 1435 SG CYS A 88 4.912 -14.453 -6.422 1.00 10.25 S ATOM 0 H CYS A 88 7.447 -14.739 -7.767 1.00 52.21 H new ATOM 0 HA CYS A 88 8.276 -12.915 -5.725 1.00 21.53 H new ATOM 0 HB2 CYS A 88 5.893 -12.512 -5.422 1.00 44.32 H new ATOM 0 HB3 CYS A 88 6.249 -12.600 -7.136 1.00 44.32 H new ATOM 0 HG CYS A 88 5.103 -15.091 -7.538 1.00 10.25 H new ATOM 1441 N TYR A 89 7.247 -15.883 -4.760 1.00 4.10 N ATOM 1442 CA TYR A 89 7.108 -16.785 -3.605 1.00 10.52 C ATOM 1443 C TYR A 89 8.354 -17.679 -3.455 1.00 70.41 C ATOM 1444 O TYR A 89 8.306 -18.749 -2.843 1.00 40.10 O ATOM 1445 CB TYR A 89 5.834 -17.636 -3.779 1.00 43.21 C ATOM 1446 CG TYR A 89 5.429 -18.441 -2.554 1.00 51.12 C ATOM 1447 CD1 TYR A 89 5.166 -17.811 -1.340 1.00 3.02 C ATOM 1448 CD2 TYR A 89 5.291 -19.825 -2.615 1.00 61.12 C ATOM 1449 CE1 TYR A 89 4.780 -18.534 -0.229 1.00 11.11 C ATOM 1450 CE2 TYR A 89 4.909 -20.554 -1.505 1.00 64.43 C ATOM 1451 CZ TYR A 89 4.654 -19.905 -0.315 1.00 34.43 C ATOM 1452 OH TYR A 89 4.265 -20.626 0.793 1.00 62.51 O ATOM 0 H TYR A 89 7.109 -16.336 -5.663 1.00 4.10 H new ATOM 0 HA TYR A 89 7.020 -16.193 -2.694 1.00 10.52 H new ATOM 0 HB2 TYR A 89 5.009 -16.978 -4.052 1.00 43.21 H new ATOM 0 HB3 TYR A 89 5.984 -18.322 -4.613 1.00 43.21 H new ATOM 0 HD1 TYR A 89 5.266 -16.738 -1.266 1.00 3.02 H new ATOM 0 HD2 TYR A 89 5.486 -20.337 -3.545 1.00 61.12 H new ATOM 0 HE1 TYR A 89 4.578 -18.028 0.704 1.00 11.11 H new ATOM 0 HE2 TYR A 89 4.811 -21.628 -1.569 1.00 64.43 H new ATOM 0 HH TYR A 89 4.223 -21.578 0.565 1.00 62.51 H new ATOM 1462 N LYS A 90 9.478 -17.227 -4.008 1.00 21.11 N ATOM 1463 CA LYS A 90 10.721 -18.000 -3.963 1.00 72.31 C ATOM 1464 C LYS A 90 11.285 -18.110 -2.535 1.00 72.20 C ATOM 1465 O LYS A 90 12.000 -17.227 -2.059 1.00 1.52 O ATOM 1466 CB LYS A 90 11.765 -17.388 -4.902 1.00 73.34 C ATOM 1467 CG LYS A 90 13.005 -18.258 -5.080 1.00 61.11 C ATOM 1468 CD LYS A 90 13.857 -17.805 -6.260 1.00 64.34 C ATOM 1469 CE LYS A 90 15.038 -18.741 -6.488 1.00 53.21 C ATOM 1470 NZ LYS A 90 14.609 -20.159 -6.616 1.00 12.02 N ATOM 0 H LYS A 90 9.555 -16.332 -4.492 1.00 21.11 H new ATOM 0 HA LYS A 90 10.486 -19.010 -4.298 1.00 72.31 H new ATOM 0 HB2 LYS A 90 11.309 -17.215 -5.877 1.00 73.34 H new ATOM 0 HB3 LYS A 90 12.066 -16.415 -4.514 1.00 73.34 H new ATOM 0 HG2 LYS A 90 13.603 -18.228 -4.169 1.00 61.11 H new ATOM 0 HG3 LYS A 90 12.702 -19.295 -5.228 1.00 61.11 H new ATOM 0 HD2 LYS A 90 13.243 -17.766 -7.160 1.00 64.34 H new ATOM 0 HD3 LYS A 90 14.222 -16.794 -6.080 1.00 64.34 H new ATOM 0 HE2 LYS A 90 15.570 -18.440 -7.391 1.00 53.21 H new ATOM 0 HE3 LYS A 90 15.740 -18.648 -5.659 1.00 53.21 H new ATOM 0 HZ1 LYS A 90 15.240 -20.654 -7.278 1.00 12.02 H new ATOM 0 HZ2 LYS A 90 14.652 -20.620 -5.685 1.00 12.02 H new ATOM 0 HZ3 LYS A 90 13.634 -20.196 -6.975 1.00 12.02 H new ATOM 1484 N THR A 91 10.949 -19.204 -1.859 1.00 11.42 N ATOM 1485 CA THR A 91 11.440 -19.458 -0.498 1.00 12.21 C ATOM 1486 C THR A 91 12.955 -19.710 -0.472 1.00 41.33 C ATOM 1487 O THR A 91 13.637 -19.348 0.490 1.00 22.31 O ATOM 1488 CB THR A 91 10.724 -20.669 0.146 1.00 75.12 C ATOM 1489 OG1 THR A 91 10.958 -21.861 -0.626 1.00 3.33 O ATOM 1490 CG2 THR A 91 9.223 -20.417 0.259 1.00 13.11 C ATOM 0 H THR A 91 10.338 -19.933 -2.227 1.00 11.42 H new ATOM 0 HA THR A 91 11.220 -18.558 0.076 1.00 12.21 H new ATOM 0 HB THR A 91 11.132 -20.805 1.147 1.00 75.12 H new ATOM 0 HG1 THR A 91 10.500 -22.618 -0.205 1.00 3.33 H new ATOM 0 HG21 THR A 91 8.742 -21.283 0.715 1.00 13.11 H new ATOM 0 HG22 THR A 91 9.047 -19.537 0.878 1.00 13.11 H new ATOM 0 HG23 THR A 91 8.806 -20.251 -0.734 1.00 13.11 H new ATOM 1498 N SER A 92 13.476 -20.326 -1.534 1.00 4.41 N ATOM 1499 CA SER A 92 14.910 -20.653 -1.623 1.00 73.32 C ATOM 1500 C SER A 92 15.662 -19.663 -2.526 1.00 34.42 C ATOM 1501 O SER A 92 15.666 -19.811 -3.750 1.00 15.34 O ATOM 1502 CB SER A 92 15.104 -22.078 -2.172 1.00 1.32 C ATOM 1503 OG SER A 92 14.389 -23.039 -1.407 1.00 25.42 O ATOM 0 H SER A 92 12.931 -20.611 -2.348 1.00 4.41 H new ATOM 0 HA SER A 92 15.318 -20.585 -0.615 1.00 73.32 H new ATOM 0 HB2 SER A 92 14.770 -22.117 -3.209 1.00 1.32 H new ATOM 0 HB3 SER A 92 16.165 -22.327 -2.169 1.00 1.32 H new ATOM 0 HG SER A 92 14.534 -23.931 -1.785 1.00 25.42 H new ATOM 1509 N ALA A 93 16.289 -18.650 -1.926 1.00 1.34 N ATOM 1510 CA ALA A 93 17.124 -17.702 -2.679 1.00 71.14 C ATOM 1511 C ALA A 93 18.529 -18.279 -2.919 1.00 23.04 C ATOM 1512 O ALA A 93 18.988 -19.134 -2.160 1.00 62.10 O ATOM 1513 CB ALA A 93 17.215 -16.367 -1.944 1.00 43.04 C ATOM 0 H ALA A 93 16.237 -18.462 -0.925 1.00 1.34 H new ATOM 0 HA ALA A 93 16.655 -17.534 -3.648 1.00 71.14 H new ATOM 0 HB1 ALA A 93 17.837 -15.678 -2.516 1.00 43.04 H new ATOM 0 HB2 ALA A 93 16.216 -15.945 -1.830 1.00 43.04 H new ATOM 0 HB3 ALA A 93 17.657 -16.523 -0.960 1.00 43.04 H new