USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 925 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 62 THR OG1 : rot 67:sc= 0.91 USER MOD Set 1.2: A 63 HIS : no HD1:sc= 0.761 K(o=1.7,f=-0.66) USER MOD Set 2.1: A 53 GLN : amide:sc= 1.8 K(o=2.2,f=-6.4!) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.369 K(o=2.2,f=-6.8) USER MOD Set 3.1: A 52 TYR OH : rot 100:sc= 0.18 USER MOD Set 3.2: A 72 ASN : amide:sc= 0.394 K(o=0.57,f=-0.19!) USER MOD Set 4.1: A 33 LYS NZ :NH3+ 128:sc= -0.0371 (180deg=-0.235) USER MOD Set 4.2: A 34 HIS : no HD1:sc= -0.476 X(o=-0.51,f=-0.15) USER MOD Set 5.1: A 32 TYR OH : rot 165:sc= 1.01 USER MOD Set 5.2: A 36 LYS NZ :NH3+ -160:sc= 1.42 (180deg=0.000618) USER MOD Single : A 1 MET CE :methyl -106:sc= -2.34! (180deg=-5.46!) USER MOD Single : A 1 MET N :NH3+ -121:sc=-0.00916 (180deg=-0.157) USER MOD Single : A 3 THR OG1 : rot 157:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.244 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00703 K(o=-0.007,f=-0.76) USER MOD Single : A 12 TYR OH : rot -78:sc= -2.35! USER MOD Single : A 15 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.23) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -92:sc= 0.0225 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0.537 (180deg=0.52) USER MOD Single : A 27 HIS : no HD1:sc= -1.77! K(o=-1.8!,f=0.53) USER MOD Single : A 28 TYR OH : rot -95:sc= 0.315 USER MOD Single : A 30 SER OG : rot 76:sc= 0.432 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= -1.71! (180deg=-4.65!) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0.728 (180deg=0.724) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.07) USER MOD Single : A 59 TYR OH : rot 120:sc=-8.42e-05 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 70 LYS NZ :NH3+ 149:sc= 1.2 (180deg=0.984) USER MOD Single : A 73 SER OG : rot 80:sc= 1.27 USER MOD Single : A 74 TYR OH : rot 165:sc= -0.0657 USER MOD Single : A 77 ASN : amide:sc= -0.0925 X(o=-0.092,f=-0.4) USER MOD Single : A 84 HIS : no HD1:sc= -0.058 X(o=-0.058,f=-0.002) USER MOD Single : A 87 TYR OH : rot 120:sc=-0.000896 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc=-0.00172 (180deg=-0.116) USER MOD Single : A 91 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.32!) USER MOD Single : A 93 THR OG1 : rot 60:sc= 0.0199 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.072) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 106 HIS : no HD1:sc= 0.849 K(o=0.85,f=-4!) USER MOD Single : A 107 HIS : no HE2:sc= -0.127 X(o=-0.13,f=-0.36) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.012) USER MOD Single : A 110 HIS : no HD1:sc= -0.669 X(o=-0.67,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.715 10.266 14.541 1.00 23.14 N ATOM 2 CA MET A 1 5.155 9.817 13.199 1.00 63.31 C ATOM 3 C MET A 1 5.399 8.317 13.190 1.00 34.22 C ATOM 4 O MET A 1 6.258 7.817 13.917 1.00 44.33 O ATOM 5 CB MET A 1 6.435 10.545 12.776 1.00 73.45 C ATOM 6 CG MET A 1 6.275 12.045 12.573 1.00 53.44 C ATOM 7 SD MET A 1 5.283 12.479 11.124 1.00 53.04 S ATOM 8 CE MET A 1 3.610 12.166 11.696 1.00 65.01 C ATOM 0 H1 MET A 1 3.781 10.717 14.467 1.00 23.14 H new ATOM 0 H2 MET A 1 4.654 9.447 15.179 1.00 23.14 H new ATOM 0 H3 MET A 1 5.401 10.950 14.920 1.00 23.14 H new ATOM 0 HA MET A 1 4.361 10.054 12.491 1.00 63.31 H new ATOM 0 HB2 MET A 1 7.201 10.374 13.532 1.00 73.45 H new ATOM 0 HB3 MET A 1 6.799 10.103 11.848 1.00 73.45 H new ATOM 0 HG2 MET A 1 5.813 12.476 13.461 1.00 53.44 H new ATOM 0 HG3 MET A 1 7.262 12.497 12.476 1.00 53.44 H new ATOM 0 HE1 MET A 1 3.234 11.252 11.237 1.00 65.01 H new ATOM 0 HE2 MET A 1 3.611 12.054 12.780 1.00 65.01 H new ATOM 0 HE3 MET A 1 2.968 13.002 11.418 1.00 65.01 H new ATOM 20 N ILE A 2 4.638 7.605 12.377 1.00 20.41 N ATOM 21 CA ILE A 2 4.814 6.170 12.228 1.00 21.44 C ATOM 22 C ILE A 2 5.317 5.855 10.822 1.00 33.02 C ATOM 23 O ILE A 2 5.130 6.650 9.895 1.00 25.10 O ATOM 24 CB ILE A 2 3.491 5.409 12.497 1.00 51.54 C ATOM 25 CG1 ILE A 2 3.736 3.895 12.579 1.00 22.12 C ATOM 26 CG2 ILE A 2 2.465 5.725 11.415 1.00 34.52 C ATOM 27 CD1 ILE A 2 2.495 3.088 12.907 1.00 60.44 C ATOM 0 H ILE A 2 3.889 7.999 11.808 1.00 20.41 H new ATOM 0 HA ILE A 2 5.549 5.840 12.963 1.00 21.44 H new ATOM 0 HB ILE A 2 3.097 5.742 13.458 1.00 51.54 H new ATOM 0 HG12 ILE A 2 4.140 3.550 11.627 1.00 22.12 H new ATOM 0 HG13 ILE A 2 4.495 3.700 13.337 1.00 22.12 H new ATOM 0 HG21 ILE A 2 1.542 5.182 11.619 1.00 34.52 H new ATOM 0 HG22 ILE A 2 2.262 6.796 11.407 1.00 34.52 H new ATOM 0 HG23 ILE A 2 2.856 5.423 10.443 1.00 34.52 H new ATOM 0 HD11 ILE A 2 2.750 2.029 12.947 1.00 60.44 H new ATOM 0 HD12 ILE A 2 2.101 3.403 13.873 1.00 60.44 H new ATOM 0 HD13 ILE A 2 1.741 3.251 12.137 1.00 60.44 H new ATOM 39 N THR A 3 5.980 4.719 10.674 1.00 53.24 N ATOM 40 CA THR A 3 6.423 4.262 9.372 1.00 70.11 C ATOM 41 C THR A 3 5.238 3.760 8.552 1.00 75.41 C ATOM 42 O THR A 3 4.442 2.945 9.027 1.00 1.20 O ATOM 43 CB THR A 3 7.489 3.155 9.504 1.00 43.24 C ATOM 44 OG1 THR A 3 7.094 2.203 10.502 1.00 10.33 O ATOM 45 CG2 THR A 3 8.842 3.747 9.869 1.00 13.41 C ATOM 0 H THR A 3 6.223 4.096 11.445 1.00 53.24 H new ATOM 0 HA THR A 3 6.876 5.108 8.855 1.00 70.11 H new ATOM 0 HB THR A 3 7.576 2.653 8.541 1.00 43.24 H new ATOM 0 HG1 THR A 3 7.546 1.349 10.337 1.00 10.33 H new ATOM 0 HG21 THR A 3 9.577 2.947 9.957 1.00 13.41 H new ATOM 0 HG22 THR A 3 9.155 4.445 9.092 1.00 13.41 H new ATOM 0 HG23 THR A 3 8.764 4.274 10.820 1.00 13.41 H new ATOM 53 N PHE A 4 5.127 4.253 7.325 1.00 3.41 N ATOM 54 CA PHE A 4 3.984 3.948 6.470 1.00 31.03 C ATOM 55 C PHE A 4 3.852 2.448 6.227 1.00 13.03 C ATOM 56 O PHE A 4 2.753 1.900 6.291 1.00 32.00 O ATOM 57 CB PHE A 4 4.101 4.689 5.133 1.00 42.24 C ATOM 58 CG PHE A 4 3.050 4.291 4.134 1.00 62.22 C ATOM 59 CD1 PHE A 4 1.705 4.449 4.425 1.00 45.42 C ATOM 60 CD2 PHE A 4 3.410 3.741 2.914 1.00 0.15 C ATOM 61 CE1 PHE A 4 0.737 4.069 3.516 1.00 54.21 C ATOM 62 CE2 PHE A 4 2.447 3.358 2.002 1.00 12.40 C ATOM 63 CZ PHE A 4 1.108 3.522 2.303 1.00 50.45 C ATOM 0 H PHE A 4 5.818 4.869 6.897 1.00 3.41 H new ATOM 0 HA PHE A 4 3.086 4.286 6.988 1.00 31.03 H new ATOM 0 HB2 PHE A 4 4.032 5.762 5.314 1.00 42.24 H new ATOM 0 HB3 PHE A 4 5.086 4.500 4.707 1.00 42.24 H new ATOM 0 HD1 PHE A 4 1.410 4.874 5.373 1.00 45.42 H new ATOM 0 HD2 PHE A 4 4.455 3.611 2.674 1.00 0.15 H new ATOM 0 HE1 PHE A 4 -0.309 4.199 3.753 1.00 54.21 H new ATOM 0 HE2 PHE A 4 2.740 2.931 1.054 1.00 12.40 H new ATOM 0 HZ PHE A 4 0.353 3.223 1.591 1.00 50.45 H new ATOM 73 N ALA A 5 4.975 1.793 5.963 1.00 41.24 N ATOM 74 CA ALA A 5 4.980 0.364 5.679 1.00 54.14 C ATOM 75 C ALA A 5 4.353 -0.426 6.824 1.00 72.24 C ATOM 76 O ALA A 5 3.456 -1.245 6.614 1.00 25.32 O ATOM 77 CB ALA A 5 6.401 -0.111 5.424 1.00 71.22 C ATOM 0 H ALA A 5 5.896 2.230 5.940 1.00 41.24 H new ATOM 0 HA ALA A 5 4.381 0.191 4.785 1.00 54.14 H new ATOM 0 HB1 ALA A 5 6.395 -1.180 5.213 1.00 71.22 H new ATOM 0 HB2 ALA A 5 6.816 0.425 4.571 1.00 71.22 H new ATOM 0 HB3 ALA A 5 7.013 0.081 6.306 1.00 71.22 H new ATOM 83 N ASP A 6 4.811 -0.153 8.037 1.00 71.13 N ATOM 84 CA ASP A 6 4.339 -0.868 9.214 1.00 31.12 C ATOM 85 C ASP A 6 2.885 -0.529 9.507 1.00 34.01 C ATOM 86 O ASP A 6 2.108 -1.394 9.917 1.00 44.12 O ATOM 87 CB ASP A 6 5.219 -0.552 10.424 1.00 64.45 C ATOM 88 CG ASP A 6 6.643 -1.034 10.238 1.00 10.22 C ATOM 89 OD1 ASP A 6 7.466 -0.275 9.681 1.00 61.33 O ATOM 90 OD2 ASP A 6 6.947 -2.178 10.639 1.00 61.11 O ATOM 0 H ASP A 6 5.512 0.562 8.232 1.00 71.13 H new ATOM 0 HA ASP A 6 4.404 -1.937 9.010 1.00 31.12 H new ATOM 0 HB2 ASP A 6 5.221 0.524 10.598 1.00 64.45 H new ATOM 0 HB3 ASP A 6 4.793 -1.018 11.313 1.00 64.45 H new ATOM 95 N TYR A 7 2.516 0.729 9.287 1.00 1.11 N ATOM 96 CA TYR A 7 1.130 1.150 9.440 1.00 52.42 C ATOM 97 C TYR A 7 0.235 0.392 8.468 1.00 72.03 C ATOM 98 O TYR A 7 -0.840 -0.068 8.838 1.00 2.44 O ATOM 99 CB TYR A 7 0.973 2.658 9.219 1.00 23.30 C ATOM 100 CG TYR A 7 -0.475 3.102 9.132 1.00 65.14 C ATOM 101 CD1 TYR A 7 -1.281 3.143 10.265 1.00 44.45 C ATOM 102 CD2 TYR A 7 -1.039 3.462 7.913 1.00 50.22 C ATOM 103 CE1 TYR A 7 -2.607 3.529 10.184 1.00 62.42 C ATOM 104 CE2 TYR A 7 -2.361 3.852 7.825 1.00 72.15 C ATOM 105 CZ TYR A 7 -3.142 3.882 8.961 1.00 1.40 C ATOM 106 OH TYR A 7 -4.461 4.268 8.874 1.00 3.43 O ATOM 0 H TYR A 7 3.156 1.471 9.003 1.00 1.11 H new ATOM 0 HA TYR A 7 0.829 0.922 10.462 1.00 52.42 H new ATOM 0 HB2 TYR A 7 1.461 3.191 10.035 1.00 23.30 H new ATOM 0 HB3 TYR A 7 1.488 2.940 8.301 1.00 23.30 H new ATOM 0 HD1 TYR A 7 -0.865 2.869 11.223 1.00 44.45 H new ATOM 0 HD2 TYR A 7 -0.433 3.436 7.020 1.00 50.22 H new ATOM 0 HE1 TYR A 7 -3.220 3.554 11.073 1.00 62.42 H new ATOM 0 HE2 TYR A 7 -2.781 4.132 6.870 1.00 72.15 H new ATOM 0 HH TYR A 7 -4.734 4.691 9.715 1.00 3.43 H new ATOM 116 N PHE A 8 0.695 0.263 7.232 1.00 35.12 N ATOM 117 CA PHE A 8 -0.060 -0.431 6.197 1.00 41.33 C ATOM 118 C PHE A 8 -0.401 -1.852 6.637 1.00 5.52 C ATOM 119 O PHE A 8 -1.529 -2.316 6.456 1.00 52.40 O ATOM 120 CB PHE A 8 0.739 -0.456 4.891 1.00 2.31 C ATOM 121 CG PHE A 8 0.029 -1.129 3.749 1.00 22.45 C ATOM 122 CD1 PHE A 8 -0.950 -0.458 3.034 1.00 72.15 C ATOM 123 CD2 PHE A 8 0.341 -2.432 3.394 1.00 34.52 C ATOM 124 CE1 PHE A 8 -1.606 -1.076 1.986 1.00 24.34 C ATOM 125 CE2 PHE A 8 -0.313 -3.054 2.347 1.00 72.44 C ATOM 126 CZ PHE A 8 -1.287 -2.375 1.643 1.00 32.15 C ATOM 0 H PHE A 8 1.593 0.632 6.919 1.00 35.12 H new ATOM 0 HA PHE A 8 -0.993 0.107 6.030 1.00 41.33 H new ATOM 0 HB2 PHE A 8 0.977 0.568 4.604 1.00 2.31 H new ATOM 0 HB3 PHE A 8 1.686 -0.966 5.067 1.00 2.31 H new ATOM 0 HD1 PHE A 8 -1.203 0.558 3.298 1.00 72.15 H new ATOM 0 HD2 PHE A 8 1.103 -2.967 3.941 1.00 34.52 H new ATOM 0 HE1 PHE A 8 -2.368 -0.543 1.436 1.00 24.34 H new ATOM 0 HE2 PHE A 8 -0.062 -4.070 2.080 1.00 72.44 H new ATOM 0 HZ PHE A 8 -1.799 -2.859 0.825 1.00 32.15 H new ATOM 136 N TYR A 9 0.571 -2.530 7.234 1.00 22.02 N ATOM 137 CA TYR A 9 0.369 -3.901 7.674 1.00 14.30 C ATOM 138 C TYR A 9 -0.614 -3.968 8.840 1.00 43.24 C ATOM 139 O TYR A 9 -1.536 -4.783 8.829 1.00 63.51 O ATOM 140 CB TYR A 9 1.694 -4.556 8.065 1.00 0.24 C ATOM 141 CG TYR A 9 1.552 -6.026 8.396 1.00 44.34 C ATOM 142 CD1 TYR A 9 1.315 -6.959 7.394 1.00 13.45 C ATOM 143 CD2 TYR A 9 1.642 -6.478 9.705 1.00 4.04 C ATOM 144 CE1 TYR A 9 1.172 -8.300 7.689 1.00 34.02 C ATOM 145 CE2 TYR A 9 1.501 -7.818 10.008 1.00 10.22 C ATOM 146 CZ TYR A 9 1.264 -8.726 8.998 1.00 75.13 C ATOM 147 OH TYR A 9 1.120 -10.061 9.300 1.00 43.23 O ATOM 0 H TYR A 9 1.500 -2.155 7.423 1.00 22.02 H new ATOM 0 HA TYR A 9 -0.055 -4.452 6.834 1.00 14.30 H new ATOM 0 HB2 TYR A 9 2.405 -4.440 7.247 1.00 0.24 H new ATOM 0 HB3 TYR A 9 2.111 -4.034 8.926 1.00 0.24 H new ATOM 0 HD1 TYR A 9 1.241 -6.630 6.368 1.00 13.45 H new ATOM 0 HD2 TYR A 9 1.825 -5.770 10.500 1.00 4.04 H new ATOM 0 HE1 TYR A 9 0.989 -9.013 6.898 1.00 34.02 H new ATOM 0 HE2 TYR A 9 1.576 -8.153 11.032 1.00 10.22 H new ATOM 0 HH TYR A 9 1.214 -10.190 10.267 1.00 43.23 H new ATOM 157 N GLN A 10 -0.431 -3.109 9.841 1.00 45.33 N ATOM 158 CA GLN A 10 -1.309 -3.127 11.009 1.00 34.44 C ATOM 159 C GLN A 10 -2.717 -2.684 10.615 1.00 22.51 C ATOM 160 O GLN A 10 -3.705 -3.169 11.159 1.00 13.54 O ATOM 161 CB GLN A 10 -0.765 -2.238 12.136 1.00 20.21 C ATOM 162 CG GLN A 10 -0.956 -0.749 11.896 1.00 4.35 C ATOM 163 CD GLN A 10 -0.296 0.114 12.954 1.00 62.41 C ATOM 164 OE1 GLN A 10 0.714 -0.267 13.544 1.00 12.13 O ATOM 165 NE2 GLN A 10 -0.864 1.287 13.198 1.00 54.21 N ATOM 0 H GLN A 10 0.305 -2.403 9.868 1.00 45.33 H new ATOM 0 HA GLN A 10 -1.348 -4.150 11.384 1.00 34.44 H new ATOM 0 HB2 GLN A 10 -1.257 -2.511 13.070 1.00 20.21 H new ATOM 0 HB3 GLN A 10 0.298 -2.441 12.264 1.00 20.21 H new ATOM 0 HG2 GLN A 10 -0.549 -0.490 10.919 1.00 4.35 H new ATOM 0 HG3 GLN A 10 -2.022 -0.526 11.867 1.00 4.35 H new ATOM 0 HE21 GLN A 10 -1.701 1.565 12.686 1.00 54.21 H new ATOM 0 HE22 GLN A 10 -0.464 1.912 13.898 1.00 54.21 H new ATOM 174 N TRP A 11 -2.797 -1.769 9.656 1.00 50.04 N ATOM 175 CA TRP A 11 -4.074 -1.308 9.138 1.00 50.25 C ATOM 176 C TRP A 11 -4.870 -2.483 8.580 1.00 53.11 C ATOM 177 O TRP A 11 -6.057 -2.634 8.861 1.00 32.40 O ATOM 178 CB TRP A 11 -3.851 -0.244 8.059 1.00 64.25 C ATOM 179 CG TRP A 11 -5.093 0.126 7.311 1.00 4.10 C ATOM 180 CD1 TRP A 11 -6.098 0.945 7.736 1.00 10.02 C ATOM 181 CD2 TRP A 11 -5.458 -0.315 6.001 1.00 2.43 C ATOM 182 NE1 TRP A 11 -7.070 1.032 6.772 1.00 61.52 N ATOM 183 CE2 TRP A 11 -6.697 0.272 5.696 1.00 15.14 C ATOM 184 CE3 TRP A 11 -4.854 -1.152 5.056 1.00 12.25 C ATOM 185 CZ2 TRP A 11 -7.343 0.051 4.483 1.00 64.24 C ATOM 186 CZ3 TRP A 11 -5.497 -1.369 3.853 1.00 24.43 C ATOM 187 CH2 TRP A 11 -6.731 -0.771 3.576 1.00 23.13 C ATOM 0 H TRP A 11 -1.985 -1.331 9.221 1.00 50.04 H new ATOM 0 HA TRP A 11 -4.646 -0.860 9.951 1.00 50.25 H new ATOM 0 HB2 TRP A 11 -3.438 0.651 8.524 1.00 64.25 H new ATOM 0 HB3 TRP A 11 -3.106 -0.608 7.351 1.00 64.25 H new ATOM 0 HD1 TRP A 11 -6.124 1.450 8.690 1.00 10.02 H new ATOM 0 HE1 TRP A 11 -7.931 1.575 6.845 1.00 61.52 H new ATOM 0 HE3 TRP A 11 -3.903 -1.620 5.263 1.00 12.25 H new ATOM 0 HZ2 TRP A 11 -8.295 0.513 4.265 1.00 64.24 H new ATOM 0 HZ3 TRP A 11 -5.040 -2.011 3.114 1.00 24.43 H new ATOM 0 HH2 TRP A 11 -7.210 -0.962 2.627 1.00 23.13 H new ATOM 198 N TYR A 12 -4.198 -3.324 7.807 1.00 14.50 N ATOM 199 CA TYR A 12 -4.821 -4.511 7.249 1.00 51.23 C ATOM 200 C TYR A 12 -5.118 -5.540 8.337 1.00 75.14 C ATOM 201 O TYR A 12 -6.240 -6.040 8.438 1.00 41.04 O ATOM 202 CB TYR A 12 -3.916 -5.121 6.175 1.00 12.43 C ATOM 203 CG TYR A 12 -4.333 -6.508 5.749 1.00 1.02 C ATOM 204 CD1 TYR A 12 -5.549 -6.727 5.118 1.00 43.31 C ATOM 205 CD2 TYR A 12 -3.507 -7.601 5.983 1.00 73.02 C ATOM 206 CE1 TYR A 12 -5.932 -7.994 4.732 1.00 21.23 C ATOM 207 CE2 TYR A 12 -3.882 -8.870 5.599 1.00 61.33 C ATOM 208 CZ TYR A 12 -5.094 -9.061 4.976 1.00 62.40 C ATOM 209 OH TYR A 12 -5.468 -10.325 4.595 1.00 44.43 O ATOM 0 H TYR A 12 -3.218 -3.204 7.552 1.00 14.50 H new ATOM 0 HA TYR A 12 -5.768 -4.219 6.795 1.00 51.23 H new ATOM 0 HB2 TYR A 12 -3.911 -4.468 5.302 1.00 12.43 H new ATOM 0 HB3 TYR A 12 -2.894 -5.158 6.551 1.00 12.43 H new ATOM 0 HD1 TYR A 12 -6.206 -5.892 4.926 1.00 43.31 H new ATOM 0 HD2 TYR A 12 -2.556 -7.453 6.474 1.00 73.02 H new ATOM 0 HE1 TYR A 12 -6.882 -8.149 4.242 1.00 21.23 H new ATOM 0 HE2 TYR A 12 -3.229 -9.710 5.786 1.00 61.33 H new ATOM 0 HH TYR A 12 -6.115 -10.683 5.238 1.00 44.43 H new ATOM 219 N GLU A 13 -4.109 -5.826 9.155 1.00 25.14 N ATOM 220 CA GLU A 13 -4.194 -6.862 10.182 1.00 42.31 C ATOM 221 C GLU A 13 -5.369 -6.610 11.127 1.00 25.13 C ATOM 222 O GLU A 13 -6.086 -7.535 11.504 1.00 5.41 O ATOM 223 CB GLU A 13 -2.875 -6.898 10.963 1.00 13.24 C ATOM 224 CG GLU A 13 -2.433 -8.288 11.405 1.00 34.52 C ATOM 225 CD GLU A 13 -3.188 -8.813 12.610 1.00 52.11 C ATOM 226 OE1 GLU A 13 -3.130 -8.170 13.680 1.00 73.00 O ATOM 227 OE2 GLU A 13 -3.825 -9.880 12.502 1.00 42.33 O ATOM 0 H GLU A 13 -3.209 -5.347 9.125 1.00 25.14 H new ATOM 0 HA GLU A 13 -4.364 -7.825 9.701 1.00 42.31 H new ATOM 0 HB2 GLU A 13 -2.091 -6.462 10.344 1.00 13.24 H new ATOM 0 HB3 GLU A 13 -2.974 -6.266 11.845 1.00 13.24 H new ATOM 0 HG2 GLU A 13 -2.564 -8.982 10.575 1.00 34.52 H new ATOM 0 HG3 GLU A 13 -1.368 -8.265 11.636 1.00 34.52 H new ATOM 234 N VAL A 14 -5.577 -5.351 11.489 1.00 52.23 N ATOM 235 CA VAL A 14 -6.633 -4.992 12.428 1.00 72.54 C ATOM 236 C VAL A 14 -7.997 -4.857 11.735 1.00 52.34 C ATOM 237 O VAL A 14 -9.039 -5.077 12.355 1.00 30.13 O ATOM 238 CB VAL A 14 -6.302 -3.668 13.163 1.00 32.52 C ATOM 239 CG1 VAL A 14 -7.363 -3.330 14.202 1.00 14.32 C ATOM 240 CG2 VAL A 14 -4.930 -3.745 13.814 1.00 71.24 C ATOM 0 H VAL A 14 -5.029 -4.561 11.147 1.00 52.23 H new ATOM 0 HA VAL A 14 -6.691 -5.804 13.153 1.00 72.54 H new ATOM 0 HB VAL A 14 -6.293 -2.871 12.420 1.00 32.52 H new ATOM 0 HG11 VAL A 14 -7.101 -2.396 14.699 1.00 14.32 H new ATOM 0 HG12 VAL A 14 -8.330 -3.221 13.712 1.00 14.32 H new ATOM 0 HG13 VAL A 14 -7.418 -4.131 14.940 1.00 14.32 H new ATOM 0 HG21 VAL A 14 -4.716 -2.806 14.325 1.00 71.24 H new ATOM 0 HG22 VAL A 14 -4.915 -4.562 14.535 1.00 71.24 H new ATOM 0 HG23 VAL A 14 -4.174 -3.922 13.049 1.00 71.24 H new ATOM 250 N ASN A 15 -7.994 -4.533 10.446 1.00 14.44 N ATOM 251 CA ASN A 15 -9.238 -4.179 9.759 1.00 55.22 C ATOM 252 C ASN A 15 -9.715 -5.248 8.780 1.00 62.30 C ATOM 253 O ASN A 15 -10.694 -5.944 9.041 1.00 11.43 O ATOM 254 CB ASN A 15 -9.090 -2.845 9.018 1.00 74.03 C ATOM 255 CG ASN A 15 -9.518 -1.653 9.854 1.00 23.02 C ATOM 256 OD1 ASN A 15 -10.408 -1.758 10.698 1.00 51.24 O ATOM 257 ND2 ASN A 15 -8.893 -0.509 9.618 1.00 52.12 N ATOM 0 H ASN A 15 -7.159 -4.507 9.860 1.00 14.44 H new ATOM 0 HA ASN A 15 -9.993 -4.093 10.541 1.00 55.22 H new ATOM 0 HB2 ASN A 15 -8.050 -2.716 8.717 1.00 74.03 H new ATOM 0 HB3 ASN A 15 -9.685 -2.874 8.105 1.00 74.03 H new ATOM 0 HD21 ASN A 15 -9.144 0.327 10.145 1.00 52.12 H new ATOM 0 HD22 ASN A 15 -8.161 -0.465 8.909 1.00 52.12 H new ATOM 264 N LYS A 16 -9.023 -5.383 7.656 1.00 71.31 N ATOM 265 CA LYS A 16 -9.557 -6.134 6.520 1.00 52.41 C ATOM 266 C LYS A 16 -9.346 -7.638 6.671 1.00 31.13 C ATOM 267 O LYS A 16 -9.914 -8.420 5.910 1.00 40.44 O ATOM 268 CB LYS A 16 -8.906 -5.659 5.216 1.00 4.42 C ATOM 269 CG LYS A 16 -8.815 -4.145 5.079 1.00 10.15 C ATOM 270 CD LYS A 16 -10.180 -3.470 5.149 1.00 53.01 C ATOM 271 CE LYS A 16 -10.045 -1.956 5.095 1.00 14.43 C ATOM 272 NZ LYS A 16 -11.333 -1.253 5.346 1.00 2.53 N ATOM 0 H LYS A 16 -8.096 -4.986 7.504 1.00 71.31 H new ATOM 0 HA LYS A 16 -10.630 -5.946 6.491 1.00 52.41 H new ATOM 0 HB2 LYS A 16 -7.903 -6.080 5.150 1.00 4.42 H new ATOM 0 HB3 LYS A 16 -9.474 -6.055 4.374 1.00 4.42 H new ATOM 0 HG2 LYS A 16 -8.177 -3.750 5.869 1.00 10.15 H new ATOM 0 HG3 LYS A 16 -8.339 -3.897 4.130 1.00 10.15 H new ATOM 0 HD2 LYS A 16 -10.802 -3.813 4.322 1.00 53.01 H new ATOM 0 HD3 LYS A 16 -10.686 -3.761 6.070 1.00 53.01 H new ATOM 0 HE2 LYS A 16 -9.311 -1.635 5.834 1.00 14.43 H new ATOM 0 HE3 LYS A 16 -9.662 -1.665 4.117 1.00 14.43 H new ATOM 0 HZ1 LYS A 16 -11.183 -0.225 5.297 1.00 2.53 H new ATOM 0 HZ2 LYS A 16 -12.029 -1.536 4.626 1.00 2.53 H new ATOM 0 HZ3 LYS A 16 -11.689 -1.507 6.290 1.00 2.53 H new ATOM 286 N LEU A 17 -8.550 -8.029 7.662 1.00 70.15 N ATOM 287 CA LEU A 17 -8.164 -9.432 7.851 1.00 23.32 C ATOM 288 C LEU A 17 -9.362 -10.403 7.831 1.00 25.10 C ATOM 289 O LEU A 17 -9.389 -11.320 7.011 1.00 2.33 O ATOM 290 CB LEU A 17 -7.382 -9.601 9.159 1.00 43.43 C ATOM 291 CG LEU A 17 -6.787 -10.994 9.378 1.00 32.33 C ATOM 292 CD1 LEU A 17 -5.660 -11.252 8.393 1.00 3.01 C ATOM 293 CD2 LEU A 17 -6.293 -11.147 10.805 1.00 34.13 C ATOM 0 H LEU A 17 -8.155 -7.392 8.354 1.00 70.15 H new ATOM 0 HA LEU A 17 -7.531 -9.690 7.002 1.00 23.32 H new ATOM 0 HB2 LEU A 17 -6.574 -8.869 9.180 1.00 43.43 H new ATOM 0 HB3 LEU A 17 -8.044 -9.369 9.994 1.00 43.43 H new ATOM 0 HG LEU A 17 -7.570 -11.732 9.207 1.00 32.33 H new ATOM 0 HD11 LEU A 17 -5.249 -12.247 8.563 1.00 3.01 H new ATOM 0 HD12 LEU A 17 -6.045 -11.188 7.375 1.00 3.01 H new ATOM 0 HD13 LEU A 17 -4.877 -10.507 8.533 1.00 3.01 H new ATOM 0 HD21 LEU A 17 -5.874 -12.144 10.940 1.00 34.13 H new ATOM 0 HD22 LEU A 17 -5.525 -10.400 11.006 1.00 34.13 H new ATOM 0 HD23 LEU A 17 -7.125 -11.007 11.495 1.00 34.13 H new ATOM 305 N PRO A 18 -10.377 -10.223 8.709 1.00 44.45 N ATOM 306 CA PRO A 18 -11.480 -11.188 8.836 1.00 52.01 C ATOM 307 C PRO A 18 -12.512 -11.095 7.715 1.00 11.45 C ATOM 308 O PRO A 18 -13.518 -11.804 7.729 1.00 3.24 O ATOM 309 CB PRO A 18 -12.123 -10.802 10.167 1.00 73.41 C ATOM 310 CG PRO A 18 -11.879 -9.340 10.284 1.00 62.45 C ATOM 311 CD PRO A 18 -10.540 -9.089 9.645 1.00 42.33 C ATOM 0 HA PRO A 18 -11.113 -12.213 8.783 1.00 52.01 H new ATOM 0 HB2 PRO A 18 -13.189 -11.029 10.174 1.00 73.41 H new ATOM 0 HB3 PRO A 18 -11.675 -11.348 10.998 1.00 73.41 H new ATOM 0 HG2 PRO A 18 -12.663 -8.773 9.782 1.00 62.45 H new ATOM 0 HG3 PRO A 18 -11.877 -9.027 11.328 1.00 62.45 H new ATOM 0 HD2 PRO A 18 -10.519 -8.133 9.122 1.00 42.33 H new ATOM 0 HD3 PRO A 18 -9.741 -9.064 10.386 1.00 42.33 H new ATOM 319 N HIS A 19 -12.266 -10.227 6.746 1.00 3.24 N ATOM 320 CA HIS A 19 -13.237 -9.998 5.684 1.00 63.32 C ATOM 321 C HIS A 19 -12.706 -10.475 4.342 1.00 30.52 C ATOM 322 O HIS A 19 -13.443 -10.522 3.358 1.00 40.02 O ATOM 323 CB HIS A 19 -13.605 -8.513 5.597 1.00 23.13 C ATOM 324 CG HIS A 19 -14.148 -7.955 6.873 1.00 5.40 C ATOM 325 ND1 HIS A 19 -15.439 -8.198 7.271 1.00 71.42 N ATOM 326 CD2 HIS A 19 -13.531 -7.196 7.808 1.00 62.24 C ATOM 327 CE1 HIS A 19 -15.577 -7.585 8.436 1.00 1.44 C ATOM 328 NE2 HIS A 19 -14.448 -6.964 8.799 1.00 0.10 N ATOM 0 H HIS A 19 -11.412 -9.674 6.671 1.00 3.24 H new ATOM 0 HA HIS A 19 -14.131 -10.572 5.927 1.00 63.32 H new ATOM 0 HB2 HIS A 19 -12.721 -7.944 5.309 1.00 23.13 H new ATOM 0 HB3 HIS A 19 -14.343 -8.376 4.807 1.00 23.13 H new ATOM 0 HD2 HIS A 19 -12.511 -6.841 7.779 1.00 62.24 H new ATOM 0 HE1 HIS A 19 -16.486 -7.586 9.020 1.00 1.44 H new ATOM 0 HE2 HIS A 19 -14.299 -6.422 9.650 1.00 0.10 H new ATOM 336 N VAL A 20 -11.433 -10.840 4.306 1.00 4.15 N ATOM 337 CA VAL A 20 -10.792 -11.229 3.062 1.00 15.33 C ATOM 338 C VAL A 20 -10.333 -12.682 3.106 1.00 34.42 C ATOM 339 O VAL A 20 -10.284 -13.299 4.170 1.00 63.45 O ATOM 340 CB VAL A 20 -9.584 -10.324 2.744 1.00 72.31 C ATOM 341 CG1 VAL A 20 -10.014 -8.869 2.633 1.00 0.11 C ATOM 342 CG2 VAL A 20 -8.499 -10.484 3.797 1.00 4.45 C ATOM 0 H VAL A 20 -10.825 -10.874 5.124 1.00 4.15 H new ATOM 0 HA VAL A 20 -11.537 -11.115 2.275 1.00 15.33 H new ATOM 0 HB VAL A 20 -9.174 -10.632 1.782 1.00 72.31 H new ATOM 0 HG11 VAL A 20 -9.146 -8.249 2.408 1.00 0.11 H new ATOM 0 HG12 VAL A 20 -10.749 -8.767 1.835 1.00 0.11 H new ATOM 0 HG13 VAL A 20 -10.455 -8.547 3.576 1.00 0.11 H new ATOM 0 HG21 VAL A 20 -7.657 -9.837 3.553 1.00 4.45 H new ATOM 0 HG22 VAL A 20 -8.897 -10.209 4.774 1.00 4.45 H new ATOM 0 HG23 VAL A 20 -8.165 -11.521 3.820 1.00 4.45 H new ATOM 352 N SER A 21 -10.008 -13.221 1.942 1.00 21.45 N ATOM 353 CA SER A 21 -9.505 -14.578 1.843 1.00 62.22 C ATOM 354 C SER A 21 -7.985 -14.582 1.981 1.00 23.45 C ATOM 355 O SER A 21 -7.349 -13.528 1.943 1.00 11.23 O ATOM 356 CB SER A 21 -9.927 -15.187 0.506 1.00 53.43 C ATOM 357 OG SER A 21 -11.326 -15.055 0.314 1.00 65.42 O ATOM 0 H SER A 21 -10.085 -12.735 1.049 1.00 21.45 H new ATOM 0 HA SER A 21 -9.925 -15.180 2.649 1.00 62.22 H new ATOM 0 HB2 SER A 21 -9.395 -14.694 -0.308 1.00 53.43 H new ATOM 0 HB3 SER A 21 -9.649 -16.240 0.477 1.00 53.43 H new ATOM 0 HG SER A 21 -11.577 -15.449 -0.548 1.00 65.42 H new ATOM 363 N GLU A 22 -7.402 -15.760 2.144 1.00 21.41 N ATOM 364 CA GLU A 22 -5.961 -15.877 2.314 1.00 30.22 C ATOM 365 C GLU A 22 -5.234 -15.559 1.017 1.00 0.22 C ATOM 366 O GLU A 22 -4.064 -15.174 1.025 1.00 72.50 O ATOM 367 CB GLU A 22 -5.590 -17.262 2.832 1.00 54.53 C ATOM 368 CG GLU A 22 -6.272 -17.585 4.148 1.00 43.30 C ATOM 369 CD GLU A 22 -5.638 -18.747 4.871 1.00 64.33 C ATOM 370 OE1 GLU A 22 -5.958 -19.908 4.544 1.00 0.54 O ATOM 371 OE2 GLU A 22 -4.821 -18.495 5.782 1.00 41.34 O ATOM 0 H GLU A 22 -7.904 -16.648 2.162 1.00 21.41 H new ATOM 0 HA GLU A 22 -5.644 -15.146 3.058 1.00 30.22 H new ATOM 0 HB2 GLU A 22 -5.865 -18.011 2.089 1.00 54.53 H new ATOM 0 HB3 GLU A 22 -4.509 -17.322 2.961 1.00 54.53 H new ATOM 0 HG2 GLU A 22 -6.244 -16.705 4.791 1.00 43.30 H new ATOM 0 HG3 GLU A 22 -7.322 -17.810 3.961 1.00 43.30 H new ATOM 378 N SER A 23 -5.934 -15.712 -0.095 1.00 74.52 N ATOM 379 CA SER A 23 -5.421 -15.266 -1.375 1.00 43.05 C ATOM 380 C SER A 23 -5.285 -13.746 -1.365 1.00 40.45 C ATOM 381 O SER A 23 -4.314 -13.193 -1.881 1.00 2.23 O ATOM 382 CB SER A 23 -6.351 -15.732 -2.493 1.00 44.02 C ATOM 383 OG SER A 23 -7.711 -15.598 -2.108 1.00 44.20 O ATOM 0 H SER A 23 -6.858 -16.142 -0.135 1.00 74.52 H new ATOM 0 HA SER A 23 -4.436 -15.698 -1.553 1.00 43.05 H new ATOM 0 HB2 SER A 23 -6.164 -15.148 -3.394 1.00 44.02 H new ATOM 0 HB3 SER A 23 -6.139 -16.773 -2.738 1.00 44.02 H new ATOM 0 HG SER A 23 -8.021 -16.435 -1.704 1.00 44.20 H new ATOM 389 N THR A 24 -6.252 -13.084 -0.735 1.00 61.52 N ATOM 390 CA THR A 24 -6.222 -11.641 -0.571 1.00 35.41 C ATOM 391 C THR A 24 -5.118 -11.235 0.408 1.00 41.22 C ATOM 392 O THR A 24 -4.513 -10.170 0.266 1.00 34.32 O ATOM 393 CB THR A 24 -7.577 -11.117 -0.061 1.00 14.20 C ATOM 394 OG1 THR A 24 -8.650 -11.762 -0.766 1.00 50.21 O ATOM 395 CG2 THR A 24 -7.681 -9.611 -0.253 1.00 40.33 C ATOM 0 H THR A 24 -7.072 -13.533 -0.327 1.00 61.52 H new ATOM 0 HA THR A 24 -6.018 -11.200 -1.547 1.00 35.41 H new ATOM 0 HB THR A 24 -7.650 -11.342 1.003 1.00 14.20 H new ATOM 0 HG1 THR A 24 -9.508 -11.425 -0.435 1.00 50.21 H new ATOM 0 HG21 THR A 24 -8.646 -9.263 0.114 1.00 40.33 H new ATOM 0 HG22 THR A 24 -6.883 -9.118 0.301 1.00 40.33 H new ATOM 0 HG23 THR A 24 -7.588 -9.372 -1.312 1.00 40.33 H new ATOM 403 N LYS A 25 -4.855 -12.096 1.399 1.00 41.31 N ATOM 404 CA LYS A 25 -3.753 -11.874 2.334 1.00 2.11 C ATOM 405 C LYS A 25 -2.458 -11.676 1.561 1.00 71.30 C ATOM 406 O LYS A 25 -1.696 -10.747 1.831 1.00 51.41 O ATOM 407 CB LYS A 25 -3.578 -13.053 3.305 1.00 71.12 C ATOM 408 CG LYS A 25 -4.761 -13.304 4.227 1.00 32.11 C ATOM 409 CD LYS A 25 -4.442 -14.403 5.232 1.00 51.15 C ATOM 410 CE LYS A 25 -5.642 -14.749 6.102 1.00 54.25 C ATOM 411 NZ LYS A 25 -5.319 -15.816 7.090 1.00 41.43 N ATOM 0 H LYS A 25 -5.389 -12.948 1.571 1.00 41.31 H new ATOM 0 HA LYS A 25 -3.992 -10.984 2.916 1.00 2.11 H new ATOM 0 HB2 LYS A 25 -3.389 -13.957 2.726 1.00 71.12 H new ATOM 0 HB3 LYS A 25 -2.692 -12.874 3.915 1.00 71.12 H new ATOM 0 HG2 LYS A 25 -5.017 -12.386 4.755 1.00 32.11 H new ATOM 0 HG3 LYS A 25 -5.633 -13.586 3.638 1.00 32.11 H new ATOM 0 HD2 LYS A 25 -4.111 -15.295 4.700 1.00 51.15 H new ATOM 0 HD3 LYS A 25 -3.615 -14.085 5.866 1.00 51.15 H new ATOM 0 HE2 LYS A 25 -5.979 -13.856 6.628 1.00 54.25 H new ATOM 0 HE3 LYS A 25 -6.467 -15.077 5.470 1.00 54.25 H new ATOM 0 HZ1 LYS A 25 -6.134 -15.965 7.719 1.00 41.43 H new ATOM 0 HZ2 LYS A 25 -5.103 -16.701 6.588 1.00 41.43 H new ATOM 0 HZ3 LYS A 25 -4.494 -15.529 7.654 1.00 41.43 H new ATOM 425 N ARG A 26 -2.235 -12.549 0.582 1.00 65.01 N ATOM 426 CA ARG A 26 -1.051 -12.476 -0.267 1.00 65.02 C ATOM 427 C ARG A 26 -0.928 -11.118 -0.950 1.00 73.12 C ATOM 428 O ARG A 26 0.162 -10.554 -1.009 1.00 5.33 O ATOM 429 CB ARG A 26 -1.072 -13.578 -1.322 1.00 20.43 C ATOM 430 CG ARG A 26 -0.719 -14.951 -0.784 1.00 74.03 C ATOM 431 CD ARG A 26 -0.560 -15.951 -1.914 1.00 3.25 C ATOM 432 NE ARG A 26 0.000 -17.218 -1.456 1.00 74.52 N ATOM 433 CZ ARG A 26 0.650 -18.063 -2.248 1.00 35.34 C ATOM 434 NH1 ARG A 26 0.841 -17.760 -3.527 1.00 25.21 N ATOM 435 NH2 ARG A 26 1.121 -19.202 -1.761 1.00 55.31 N ATOM 0 H ARG A 26 -2.864 -13.320 0.357 1.00 65.01 H new ATOM 0 HA ARG A 26 -0.185 -12.613 0.381 1.00 65.02 H new ATOM 0 HB2 ARG A 26 -2.064 -13.619 -1.771 1.00 20.43 H new ATOM 0 HB3 ARG A 26 -0.373 -13.319 -2.117 1.00 20.43 H new ATOM 0 HG2 ARG A 26 0.206 -14.894 -0.210 1.00 74.03 H new ATOM 0 HG3 ARG A 26 -1.498 -15.289 -0.100 1.00 74.03 H new ATOM 0 HD2 ARG A 26 -1.531 -16.131 -2.376 1.00 3.25 H new ATOM 0 HD3 ARG A 26 0.086 -15.527 -2.683 1.00 3.25 H new ATOM 0 HE ARG A 26 -0.114 -17.468 -0.474 1.00 74.52 H new ATOM 0 HH11 ARG A 26 0.489 -16.879 -3.900 1.00 25.21 H new ATOM 0 HH12 ARG A 26 1.340 -18.409 -4.136 1.00 25.21 H new ATOM 0 HH21 ARG A 26 0.985 -19.431 -0.776 1.00 55.31 H new ATOM 0 HH22 ARG A 26 1.620 -19.850 -2.371 1.00 55.31 H new ATOM 449 N HIS A 27 -2.045 -10.600 -1.457 1.00 45.31 N ATOM 450 CA HIS A 27 -2.056 -9.295 -2.122 1.00 14.13 C ATOM 451 C HIS A 27 -1.520 -8.212 -1.195 1.00 63.04 C ATOM 452 O HIS A 27 -0.654 -7.421 -1.577 1.00 50.11 O ATOM 453 CB HIS A 27 -3.471 -8.922 -2.582 1.00 31.23 C ATOM 454 CG HIS A 27 -3.942 -9.675 -3.790 1.00 42.42 C ATOM 455 ND1 HIS A 27 -4.059 -9.061 -5.012 1.00 11.52 N ATOM 456 CD2 HIS A 27 -4.316 -10.970 -3.909 1.00 53.41 C ATOM 457 CE1 HIS A 27 -4.496 -9.988 -5.845 1.00 42.22 C ATOM 458 NE2 HIS A 27 -4.665 -11.162 -5.222 1.00 30.53 N ATOM 0 H HIS A 27 -2.954 -11.062 -1.421 1.00 45.31 H new ATOM 0 HA HIS A 27 -1.410 -9.368 -2.997 1.00 14.13 H new ATOM 0 HB2 HIS A 27 -4.167 -9.101 -1.762 1.00 31.23 H new ATOM 0 HB3 HIS A 27 -3.501 -7.854 -2.799 1.00 31.23 H new ATOM 0 HD2 HIS A 27 -4.336 -11.710 -3.122 1.00 53.41 H new ATOM 0 HE1 HIS A 27 -4.692 -9.821 -6.894 1.00 42.22 H new ATOM 0 HE2 HIS A 27 -4.991 -12.032 -5.643 1.00 30.53 H new ATOM 466 N TYR A 28 -2.022 -8.197 0.032 1.00 55.13 N ATOM 467 CA TYR A 28 -1.605 -7.208 1.010 1.00 15.32 C ATOM 468 C TYR A 28 -0.163 -7.430 1.442 1.00 41.55 C ATOM 469 O TYR A 28 0.591 -6.474 1.596 1.00 63.10 O ATOM 470 CB TYR A 28 -2.531 -7.224 2.223 1.00 51.11 C ATOM 471 CG TYR A 28 -3.836 -6.495 1.995 1.00 42.34 C ATOM 472 CD1 TYR A 28 -4.938 -7.138 1.448 1.00 52.34 C ATOM 473 CD2 TYR A 28 -3.961 -5.152 2.330 1.00 13.33 C ATOM 474 CE1 TYR A 28 -6.129 -6.463 1.243 1.00 51.02 C ATOM 475 CE2 TYR A 28 -5.146 -4.474 2.129 1.00 24.32 C ATOM 476 CZ TYR A 28 -6.225 -5.132 1.587 1.00 50.21 C ATOM 477 OH TYR A 28 -7.407 -4.454 1.386 1.00 52.42 O ATOM 0 H TYR A 28 -2.719 -8.860 0.372 1.00 55.13 H new ATOM 0 HA TYR A 28 -1.668 -6.228 0.536 1.00 15.32 H new ATOM 0 HB2 TYR A 28 -2.744 -8.258 2.494 1.00 51.11 H new ATOM 0 HB3 TYR A 28 -2.015 -6.772 3.070 1.00 51.11 H new ATOM 0 HD1 TYR A 28 -4.865 -8.181 1.178 1.00 52.34 H new ATOM 0 HD2 TYR A 28 -3.116 -4.630 2.755 1.00 13.33 H new ATOM 0 HE1 TYR A 28 -6.978 -6.976 0.816 1.00 51.02 H new ATOM 0 HE2 TYR A 28 -5.226 -3.431 2.396 1.00 24.32 H new ATOM 0 HH TYR A 28 -7.372 -3.983 0.528 1.00 52.42 H new ATOM 487 N GLU A 29 0.226 -8.687 1.624 1.00 41.44 N ATOM 488 CA GLU A 29 1.591 -9.003 2.027 1.00 12.11 C ATOM 489 C GLU A 29 2.587 -8.615 0.937 1.00 11.24 C ATOM 490 O GLU A 29 3.649 -8.062 1.230 1.00 32.14 O ATOM 491 CB GLU A 29 1.736 -10.483 2.370 1.00 55.44 C ATOM 492 CG GLU A 29 0.997 -10.887 3.633 1.00 35.44 C ATOM 493 CD GLU A 29 1.316 -12.303 4.059 1.00 33.42 C ATOM 494 OE1 GLU A 29 2.355 -12.507 4.727 1.00 60.42 O ATOM 495 OE2 GLU A 29 0.541 -13.222 3.724 1.00 74.44 O ATOM 0 H GLU A 29 -0.380 -9.498 1.500 1.00 41.44 H new ATOM 0 HA GLU A 29 1.812 -8.420 2.921 1.00 12.11 H new ATOM 0 HB2 GLU A 29 1.366 -11.079 1.536 1.00 55.44 H new ATOM 0 HB3 GLU A 29 2.794 -10.719 2.486 1.00 55.44 H new ATOM 0 HG2 GLU A 29 1.258 -10.201 4.439 1.00 35.44 H new ATOM 0 HG3 GLU A 29 -0.076 -10.793 3.469 1.00 35.44 H new ATOM 502 N SER A 30 2.241 -8.896 -0.314 1.00 44.12 N ATOM 503 CA SER A 30 3.084 -8.507 -1.434 1.00 15.52 C ATOM 504 C SER A 30 3.221 -6.988 -1.488 1.00 31.24 C ATOM 505 O SER A 30 4.322 -6.462 -1.645 1.00 1.52 O ATOM 506 CB SER A 30 2.515 -9.041 -2.751 1.00 12.13 C ATOM 507 OG SER A 30 2.519 -10.461 -2.771 1.00 60.22 O ATOM 0 H SER A 30 1.387 -9.389 -0.576 1.00 44.12 H new ATOM 0 HA SER A 30 4.073 -8.942 -1.290 1.00 15.52 H new ATOM 0 HB2 SER A 30 1.497 -8.675 -2.886 1.00 12.13 H new ATOM 0 HB3 SER A 30 3.104 -8.661 -3.586 1.00 12.13 H new ATOM 0 HG SER A 30 1.791 -10.798 -2.208 1.00 60.22 H new ATOM 513 N ALA A 31 2.098 -6.294 -1.335 1.00 41.15 N ATOM 514 CA ALA A 31 2.101 -4.840 -1.291 1.00 21.32 C ATOM 515 C ALA A 31 2.976 -4.341 -0.147 1.00 14.13 C ATOM 516 O ALA A 31 3.871 -3.522 -0.346 1.00 71.10 O ATOM 517 CB ALA A 31 0.680 -4.318 -1.139 1.00 4.55 C ATOM 0 H ALA A 31 1.175 -6.717 -1.240 1.00 41.15 H new ATOM 0 HA ALA A 31 2.514 -4.464 -2.227 1.00 21.32 H new ATOM 0 HB1 ALA A 31 0.694 -3.229 -1.107 1.00 4.55 H new ATOM 0 HB2 ALA A 31 0.078 -4.649 -1.986 1.00 4.55 H new ATOM 0 HB3 ALA A 31 0.248 -4.702 -0.215 1.00 4.55 H new ATOM 523 N TYR A 32 2.718 -4.870 1.041 1.00 44.43 N ATOM 524 CA TYR A 32 3.448 -4.498 2.246 1.00 51.01 C ATOM 525 C TYR A 32 4.956 -4.668 2.071 1.00 14.52 C ATOM 526 O TYR A 32 5.726 -3.745 2.348 1.00 14.10 O ATOM 527 CB TYR A 32 2.943 -5.336 3.428 1.00 25.11 C ATOM 528 CG TYR A 32 3.811 -5.263 4.664 1.00 54.11 C ATOM 529 CD1 TYR A 32 4.036 -4.056 5.313 1.00 71.41 C ATOM 530 CD2 TYR A 32 4.411 -6.406 5.177 1.00 63.02 C ATOM 531 CE1 TYR A 32 4.834 -3.992 6.437 1.00 61.43 C ATOM 532 CE2 TYR A 32 5.210 -6.347 6.299 1.00 70.21 C ATOM 533 CZ TYR A 32 5.418 -5.138 6.924 1.00 30.20 C ATOM 534 OH TYR A 32 6.221 -5.077 8.040 1.00 13.32 O ATOM 0 H TYR A 32 1.994 -5.572 1.197 1.00 44.43 H new ATOM 0 HA TYR A 32 3.266 -3.442 2.444 1.00 51.01 H new ATOM 0 HB2 TYR A 32 1.936 -5.007 3.686 1.00 25.11 H new ATOM 0 HB3 TYR A 32 2.868 -6.377 3.113 1.00 25.11 H new ATOM 0 HD1 TYR A 32 3.580 -3.154 4.932 1.00 71.41 H new ATOM 0 HD2 TYR A 32 4.249 -7.356 4.689 1.00 63.02 H new ATOM 0 HE1 TYR A 32 4.999 -3.046 6.932 1.00 61.43 H new ATOM 0 HE2 TYR A 32 5.670 -7.244 6.686 1.00 70.21 H new ATOM 0 HH TYR A 32 6.362 -5.981 8.391 1.00 13.32 H new ATOM 544 N LYS A 33 5.378 -5.836 1.599 1.00 60.52 N ATOM 545 CA LYS A 33 6.799 -6.130 1.474 1.00 34.31 C ATOM 546 C LYS A 33 7.455 -5.249 0.412 1.00 14.51 C ATOM 547 O LYS A 33 8.626 -4.902 0.539 1.00 54.40 O ATOM 548 CB LYS A 33 7.036 -7.617 1.177 1.00 45.53 C ATOM 549 CG LYS A 33 6.643 -8.060 -0.224 1.00 30.00 C ATOM 550 CD LYS A 33 6.775 -9.567 -0.383 1.00 3.11 C ATOM 551 CE LYS A 33 6.559 -10.008 -1.822 1.00 41.41 C ATOM 552 NZ LYS A 33 7.626 -9.500 -2.727 1.00 55.33 N ATOM 0 H LYS A 33 4.760 -6.590 1.299 1.00 60.52 H new ATOM 0 HA LYS A 33 7.267 -5.903 2.432 1.00 34.31 H new ATOM 0 HB2 LYS A 33 8.092 -7.839 1.330 1.00 45.53 H new ATOM 0 HB3 LYS A 33 6.477 -8.211 1.900 1.00 45.53 H new ATOM 0 HG2 LYS A 33 5.616 -7.759 -0.428 1.00 30.00 H new ATOM 0 HG3 LYS A 33 7.274 -7.558 -0.957 1.00 30.00 H new ATOM 0 HD2 LYS A 33 7.765 -9.881 -0.052 1.00 3.11 H new ATOM 0 HD3 LYS A 33 6.050 -10.065 0.262 1.00 3.11 H new ATOM 0 HE2 LYS A 33 6.533 -11.097 -1.867 1.00 41.41 H new ATOM 0 HE3 LYS A 33 5.589 -9.651 -2.169 1.00 41.41 H new ATOM 0 HZ1 LYS A 33 8.024 -10.291 -3.273 1.00 55.33 H new ATOM 0 HZ2 LYS A 33 7.223 -8.797 -3.379 1.00 55.33 H new ATOM 0 HZ3 LYS A 33 8.378 -9.057 -2.162 1.00 55.33 H new ATOM 566 N HIS A 34 6.707 -4.882 -0.626 1.00 64.20 N ATOM 567 CA HIS A 34 7.228 -3.985 -1.657 1.00 3.44 C ATOM 568 C HIS A 34 7.333 -2.557 -1.134 1.00 43.41 C ATOM 569 O HIS A 34 8.293 -1.842 -1.441 1.00 4.44 O ATOM 570 CB HIS A 34 6.354 -4.011 -2.914 1.00 64.34 C ATOM 571 CG HIS A 34 6.623 -5.176 -3.818 1.00 25.43 C ATOM 572 ND1 HIS A 34 7.824 -5.390 -4.456 1.00 75.44 N ATOM 573 CD2 HIS A 34 5.814 -6.195 -4.198 1.00 3.52 C ATOM 574 CE1 HIS A 34 7.711 -6.502 -5.189 1.00 20.14 C ATOM 575 NE2 HIS A 34 6.507 -7.031 -5.066 1.00 31.01 N ATOM 0 H HIS A 34 5.746 -5.188 -0.776 1.00 64.20 H new ATOM 0 HA HIS A 34 8.224 -4.341 -1.921 1.00 3.44 H new ATOM 0 HB2 HIS A 34 5.306 -4.030 -2.615 1.00 64.34 H new ATOM 0 HB3 HIS A 34 6.510 -3.088 -3.472 1.00 64.34 H new ATOM 0 HD2 HIS A 34 4.792 -6.335 -3.877 1.00 3.52 H new ATOM 0 HE1 HIS A 34 8.500 -6.914 -5.801 1.00 20.14 H new ATOM 0 HE2 HIS A 34 6.158 -7.878 -5.515 1.00 31.01 H new ATOM 583 N ILE A 35 6.348 -2.144 -0.343 1.00 15.52 N ATOM 584 CA ILE A 35 6.347 -0.811 0.241 1.00 64.20 C ATOM 585 C ILE A 35 7.538 -0.634 1.169 1.00 72.53 C ATOM 586 O ILE A 35 8.301 0.315 1.023 1.00 20.34 O ATOM 587 CB ILE A 35 5.044 -0.521 1.017 1.00 2.33 C ATOM 588 CG1 ILE A 35 3.852 -0.491 0.057 1.00 42.53 C ATOM 589 CG2 ILE A 35 5.159 0.799 1.772 1.00 2.53 C ATOM 590 CD1 ILE A 35 2.519 -0.312 0.749 1.00 13.24 C ATOM 0 H ILE A 35 5.541 -2.715 -0.093 1.00 15.52 H new ATOM 0 HA ILE A 35 6.416 -0.102 -0.584 1.00 64.20 H new ATOM 0 HB ILE A 35 4.883 -1.318 1.743 1.00 2.33 H new ATOM 0 HG12 ILE A 35 3.992 0.320 -0.657 1.00 42.53 H new ATOM 0 HG13 ILE A 35 3.833 -1.419 -0.514 1.00 42.53 H new ATOM 0 HG21 ILE A 35 4.233 0.990 2.314 1.00 2.53 H new ATOM 0 HG22 ILE A 35 5.988 0.743 2.478 1.00 2.53 H new ATOM 0 HG23 ILE A 35 5.339 1.608 1.064 1.00 2.53 H new ATOM 0 HD11 ILE A 35 1.722 -0.300 0.006 1.00 13.24 H new ATOM 0 HD12 ILE A 35 2.356 -1.136 1.443 1.00 13.24 H new ATOM 0 HD13 ILE A 35 2.517 0.630 1.298 1.00 13.24 H new ATOM 602 N LYS A 36 7.719 -1.566 2.094 1.00 42.00 N ATOM 603 CA LYS A 36 8.813 -1.482 3.053 1.00 3.14 C ATOM 604 C LYS A 36 10.162 -1.673 2.361 1.00 41.22 C ATOM 605 O LYS A 36 11.186 -1.183 2.833 1.00 32.11 O ATOM 606 CB LYS A 36 8.630 -2.503 4.180 1.00 53.14 C ATOM 607 CG LYS A 36 8.617 -3.950 3.723 1.00 24.04 C ATOM 608 CD LYS A 36 8.256 -4.887 4.865 1.00 60.33 C ATOM 609 CE LYS A 36 9.233 -4.773 6.025 1.00 44.10 C ATOM 610 NZ LYS A 36 8.801 -5.592 7.188 1.00 70.30 N ATOM 0 H LYS A 36 7.124 -2.388 2.201 1.00 42.00 H new ATOM 0 HA LYS A 36 8.798 -0.485 3.493 1.00 3.14 H new ATOM 0 HB2 LYS A 36 9.433 -2.372 4.906 1.00 53.14 H new ATOM 0 HB3 LYS A 36 7.694 -2.290 4.697 1.00 53.14 H new ATOM 0 HG2 LYS A 36 7.900 -4.071 2.911 1.00 24.04 H new ATOM 0 HG3 LYS A 36 9.597 -4.217 3.326 1.00 24.04 H new ATOM 0 HD2 LYS A 36 7.249 -4.661 5.215 1.00 60.33 H new ATOM 0 HD3 LYS A 36 8.243 -5.914 4.501 1.00 60.33 H new ATOM 0 HE2 LYS A 36 10.223 -5.095 5.701 1.00 44.10 H new ATOM 0 HE3 LYS A 36 9.320 -3.729 6.327 1.00 44.10 H new ATOM 0 HZ1 LYS A 36 9.270 -5.246 8.049 1.00 70.30 H new ATOM 0 HZ2 LYS A 36 7.770 -5.517 7.301 1.00 70.30 H new ATOM 0 HZ3 LYS A 36 9.060 -6.586 7.028 1.00 70.30 H new ATOM 624 N ASP A 37 10.147 -2.397 1.246 1.00 31.44 N ATOM 625 CA ASP A 37 11.348 -2.632 0.446 1.00 24.01 C ATOM 626 C ASP A 37 11.885 -1.323 -0.125 1.00 62.02 C ATOM 627 O ASP A 37 13.085 -1.052 -0.061 1.00 2.14 O ATOM 628 CB ASP A 37 11.022 -3.613 -0.688 1.00 44.22 C ATOM 629 CG ASP A 37 12.212 -3.949 -1.559 1.00 0.55 C ATOM 630 OD1 ASP A 37 12.958 -4.891 -1.215 1.00 31.42 O ATOM 631 OD2 ASP A 37 12.380 -3.307 -2.616 1.00 72.32 O ATOM 0 H ASP A 37 9.306 -2.836 0.871 1.00 31.44 H new ATOM 0 HA ASP A 37 12.119 -3.061 1.086 1.00 24.01 H new ATOM 0 HB2 ASP A 37 10.625 -4.533 -0.258 1.00 44.22 H new ATOM 0 HB3 ASP A 37 10.235 -3.187 -1.311 1.00 44.22 H new ATOM 636 N HIS A 38 10.990 -0.510 -0.676 1.00 72.34 N ATOM 637 CA HIS A 38 11.375 0.779 -1.246 1.00 31.02 C ATOM 638 C HIS A 38 11.391 1.869 -0.181 1.00 70.33 C ATOM 639 O HIS A 38 12.374 2.601 -0.039 1.00 25.35 O ATOM 640 CB HIS A 38 10.425 1.187 -2.377 1.00 32.41 C ATOM 641 CG HIS A 38 10.722 0.527 -3.686 1.00 53.11 C ATOM 642 ND1 HIS A 38 11.325 1.183 -4.738 1.00 63.12 N ATOM 643 CD2 HIS A 38 10.481 -0.730 -4.120 1.00 64.43 C ATOM 644 CE1 HIS A 38 11.444 0.357 -5.758 1.00 0.43 C ATOM 645 NE2 HIS A 38 10.940 -0.811 -5.412 1.00 31.00 N ATOM 0 H HIS A 38 9.994 -0.719 -0.741 1.00 72.34 H new ATOM 0 HA HIS A 38 12.381 0.665 -1.650 1.00 31.02 H new ATOM 0 HB2 HIS A 38 9.403 0.947 -2.084 1.00 32.41 H new ATOM 0 HB3 HIS A 38 10.474 2.268 -2.507 1.00 32.41 H new ATOM 0 HD2 HIS A 38 10.014 -1.524 -3.556 1.00 64.43 H new ATOM 0 HE1 HIS A 38 11.881 0.597 -6.716 1.00 0.43 H new ATOM 0 HE2 HIS A 38 10.898 -1.639 -6.006 1.00 31.00 H new ATOM 654 N PHE A 39 10.306 1.964 0.571 1.00 4.42 N ATOM 655 CA PHE A 39 10.148 3.010 1.569 1.00 44.13 C ATOM 656 C PHE A 39 10.703 2.555 2.917 1.00 54.41 C ATOM 657 O PHE A 39 9.983 2.484 3.915 1.00 51.13 O ATOM 658 CB PHE A 39 8.673 3.406 1.692 1.00 31.15 C ATOM 659 CG PHE A 39 8.091 3.948 0.415 1.00 41.13 C ATOM 660 CD1 PHE A 39 8.438 5.211 -0.039 1.00 74.03 C ATOM 661 CD2 PHE A 39 7.196 3.195 -0.329 1.00 61.24 C ATOM 662 CE1 PHE A 39 7.905 5.712 -1.211 1.00 24.31 C ATOM 663 CE2 PHE A 39 6.659 3.691 -1.501 1.00 44.21 C ATOM 664 CZ PHE A 39 7.015 4.951 -1.943 1.00 64.05 C ATOM 0 H PHE A 39 9.515 1.323 0.508 1.00 4.42 H new ATOM 0 HA PHE A 39 10.714 3.885 1.250 1.00 44.13 H new ATOM 0 HB2 PHE A 39 8.096 2.536 2.005 1.00 31.15 H new ATOM 0 HB3 PHE A 39 8.570 4.156 2.476 1.00 31.15 H new ATOM 0 HD1 PHE A 39 9.133 5.810 0.530 1.00 74.03 H new ATOM 0 HD2 PHE A 39 6.915 2.209 0.012 1.00 61.24 H new ATOM 0 HE1 PHE A 39 8.184 6.697 -1.554 1.00 24.31 H new ATOM 0 HE2 PHE A 39 5.962 3.095 -2.071 1.00 44.21 H new ATOM 0 HZ PHE A 39 6.598 5.340 -2.860 1.00 64.05 H new ATOM 674 N ARG A 40 11.993 2.242 2.918 1.00 43.00 N ATOM 675 CA ARG A 40 12.704 1.817 4.120 1.00 2.12 C ATOM 676 C ARG A 40 12.572 2.850 5.233 1.00 53.12 C ATOM 677 O ARG A 40 13.111 3.955 5.125 1.00 74.12 O ATOM 678 CB ARG A 40 14.187 1.605 3.805 1.00 31.25 C ATOM 679 CG ARG A 40 14.476 0.402 2.924 1.00 3.22 C ATOM 680 CD ARG A 40 14.170 -0.892 3.647 1.00 30.13 C ATOM 681 NE ARG A 40 14.759 -2.046 2.975 1.00 53.31 N ATOM 682 CZ ARG A 40 14.189 -3.247 2.934 1.00 11.24 C ATOM 683 NH1 ARG A 40 12.972 -3.421 3.430 1.00 44.34 N ATOM 684 NH2 ARG A 40 14.820 -4.263 2.365 1.00 22.32 N ATOM 0 H ARG A 40 12.578 2.276 2.083 1.00 43.00 H new ATOM 0 HA ARG A 40 12.259 0.881 4.457 1.00 2.12 H new ATOM 0 HB2 ARG A 40 14.573 2.499 3.316 1.00 31.25 H new ATOM 0 HB3 ARG A 40 14.733 1.493 4.742 1.00 31.25 H new ATOM 0 HG2 ARG A 40 13.879 0.463 2.014 1.00 3.22 H new ATOM 0 HG3 ARG A 40 15.523 0.413 2.620 1.00 3.22 H new ATOM 0 HD2 ARG A 40 14.548 -0.835 4.668 1.00 30.13 H new ATOM 0 HD3 ARG A 40 13.090 -1.023 3.714 1.00 30.13 H new ATOM 0 HE ARG A 40 15.659 -1.925 2.510 1.00 53.31 H new ATOM 0 HH11 ARG A 40 12.472 -2.634 3.843 1.00 44.34 H new ATOM 0 HH12 ARG A 40 12.535 -4.342 3.398 1.00 44.34 H new ATOM 0 HH21 ARG A 40 15.745 -4.125 1.957 1.00 22.32 H new ATOM 0 HH22 ARG A 40 14.381 -5.183 2.335 1.00 22.32 H new ATOM 698 N HIS A 41 11.843 2.486 6.290 1.00 60.53 N ATOM 699 CA HIS A 41 11.661 3.361 7.453 1.00 44.54 C ATOM 700 C HIS A 41 11.033 4.696 7.063 1.00 70.33 C ATOM 701 O HIS A 41 11.235 5.706 7.740 1.00 75.14 O ATOM 702 CB HIS A 41 13.000 3.612 8.156 1.00 74.10 C ATOM 703 CG HIS A 41 13.381 2.550 9.136 1.00 71.42 C ATOM 704 ND1 HIS A 41 13.971 2.830 10.347 1.00 74.00 N ATOM 705 CD2 HIS A 41 13.249 1.205 9.086 1.00 42.03 C ATOM 706 CE1 HIS A 41 14.187 1.704 11.000 1.00 12.31 C ATOM 707 NE2 HIS A 41 13.756 0.701 10.259 1.00 50.33 N ATOM 0 H HIS A 41 11.367 1.587 6.366 1.00 60.53 H new ATOM 0 HA HIS A 41 10.983 2.849 8.136 1.00 44.54 H new ATOM 0 HB2 HIS A 41 13.784 3.695 7.403 1.00 74.10 H new ATOM 0 HB3 HIS A 41 12.953 4.570 8.674 1.00 74.10 H new ATOM 0 HD2 HIS A 41 12.824 0.633 8.274 1.00 42.03 H new ATOM 0 HE1 HIS A 41 14.640 1.618 11.977 1.00 12.31 H new ATOM 0 HE2 HIS A 41 13.793 -0.286 10.515 1.00 50.33 H new ATOM 716 N LYS A 42 10.260 4.697 5.988 1.00 40.53 N ATOM 717 CA LYS A 42 9.644 5.922 5.506 1.00 42.42 C ATOM 718 C LYS A 42 8.419 6.271 6.335 1.00 21.02 C ATOM 719 O LYS A 42 7.574 5.416 6.609 1.00 30.51 O ATOM 720 CB LYS A 42 9.256 5.785 4.036 1.00 14.14 C ATOM 721 CG LYS A 42 9.643 6.993 3.201 1.00 13.14 C ATOM 722 CD LYS A 42 11.139 7.244 3.277 1.00 53.40 C ATOM 723 CE LYS A 42 11.560 8.444 2.447 1.00 12.01 C ATOM 724 NZ LYS A 42 13.003 8.744 2.621 1.00 1.10 N ATOM 0 H LYS A 42 10.045 3.867 5.435 1.00 40.53 H new ATOM 0 HA LYS A 42 10.373 6.727 5.604 1.00 42.42 H new ATOM 0 HB2 LYS A 42 9.734 4.897 3.622 1.00 14.14 H new ATOM 0 HB3 LYS A 42 8.179 5.631 3.964 1.00 14.14 H new ATOM 0 HG2 LYS A 42 9.349 6.833 2.164 1.00 13.14 H new ATOM 0 HG3 LYS A 42 9.104 7.872 3.553 1.00 13.14 H new ATOM 0 HD2 LYS A 42 11.427 7.404 4.316 1.00 53.40 H new ATOM 0 HD3 LYS A 42 11.673 6.359 2.931 1.00 53.40 H new ATOM 0 HE2 LYS A 42 11.351 8.252 1.395 1.00 12.01 H new ATOM 0 HE3 LYS A 42 10.969 9.313 2.735 1.00 12.01 H new ATOM 0 HZ1 LYS A 42 13.259 9.569 2.041 1.00 1.10 H new ATOM 0 HZ2 LYS A 42 13.196 8.951 3.622 1.00 1.10 H new ATOM 0 HZ3 LYS A 42 13.567 7.923 2.322 1.00 1.10 H new ATOM 738 N LEU A 43 8.336 7.530 6.741 1.00 51.20 N ATOM 739 CA LEU A 43 7.211 8.005 7.530 1.00 61.41 C ATOM 740 C LEU A 43 5.947 8.037 6.684 1.00 51.44 C ATOM 741 O LEU A 43 6.014 8.161 5.461 1.00 4.22 O ATOM 742 CB LEU A 43 7.495 9.399 8.089 1.00 71.34 C ATOM 743 CG LEU A 43 8.719 9.496 8.998 1.00 64.34 C ATOM 744 CD1 LEU A 43 8.943 10.935 9.430 1.00 60.31 C ATOM 745 CD2 LEU A 43 8.553 8.591 10.212 1.00 2.44 C ATOM 0 H LEU A 43 9.037 8.242 6.536 1.00 51.20 H new ATOM 0 HA LEU A 43 7.065 7.317 8.362 1.00 61.41 H new ATOM 0 HB2 LEU A 43 7.626 10.088 7.255 1.00 71.34 H new ATOM 0 HB3 LEU A 43 6.621 9.735 8.646 1.00 71.34 H new ATOM 0 HG LEU A 43 9.594 9.164 8.440 1.00 64.34 H new ATOM 0 HD11 LEU A 43 9.818 10.989 10.077 1.00 60.31 H new ATOM 0 HD12 LEU A 43 9.103 11.558 8.550 1.00 60.31 H new ATOM 0 HD13 LEU A 43 8.068 11.292 9.973 1.00 60.31 H new ATOM 0 HD21 LEU A 43 9.434 8.672 10.849 1.00 2.44 H new ATOM 0 HD22 LEU A 43 7.669 8.894 10.774 1.00 2.44 H new ATOM 0 HD23 LEU A 43 8.437 7.558 9.883 1.00 2.44 H new ATOM 757 N LEU A 44 4.802 7.953 7.345 1.00 61.04 N ATOM 758 CA LEU A 44 3.515 7.892 6.664 1.00 72.53 C ATOM 759 C LEU A 44 3.301 9.157 5.834 1.00 72.20 C ATOM 760 O LEU A 44 2.841 9.102 4.696 1.00 13.11 O ATOM 761 CB LEU A 44 2.401 7.724 7.709 1.00 3.54 C ATOM 762 CG LEU A 44 1.059 7.169 7.206 1.00 51.33 C ATOM 763 CD1 LEU A 44 0.203 6.732 8.385 1.00 53.31 C ATOM 764 CD2 LEU A 44 0.308 8.198 6.380 1.00 54.40 C ATOM 0 H LEU A 44 4.737 7.925 8.363 1.00 61.04 H new ATOM 0 HA LEU A 44 3.495 7.039 5.986 1.00 72.53 H new ATOM 0 HB2 LEU A 44 2.769 7.064 8.495 1.00 3.54 H new ATOM 0 HB3 LEU A 44 2.217 8.695 8.168 1.00 3.54 H new ATOM 0 HG LEU A 44 1.269 6.310 6.568 1.00 51.33 H new ATOM 0 HD11 LEU A 44 -0.746 6.340 8.020 1.00 53.31 H new ATOM 0 HD12 LEU A 44 0.725 5.956 8.945 1.00 53.31 H new ATOM 0 HD13 LEU A 44 0.016 7.586 9.036 1.00 53.31 H new ATOM 0 HD21 LEU A 44 -0.636 7.773 6.040 1.00 54.40 H new ATOM 0 HD22 LEU A 44 0.110 9.080 6.989 1.00 54.40 H new ATOM 0 HD23 LEU A 44 0.910 8.481 5.517 1.00 54.40 H new ATOM 776 N LYS A 45 3.682 10.288 6.406 1.00 61.34 N ATOM 777 CA LYS A 45 3.481 11.580 5.769 1.00 15.01 C ATOM 778 C LYS A 45 4.679 11.979 4.909 1.00 4.45 C ATOM 779 O LYS A 45 4.681 13.043 4.290 1.00 44.41 O ATOM 780 CB LYS A 45 3.216 12.645 6.839 1.00 40.51 C ATOM 781 CG LYS A 45 4.261 12.682 7.955 1.00 51.24 C ATOM 782 CD LYS A 45 5.572 13.358 7.540 1.00 32.53 C ATOM 783 CE LYS A 45 5.440 14.869 7.347 1.00 43.32 C ATOM 784 NZ LYS A 45 4.608 15.232 6.165 1.00 35.12 N ATOM 0 H LYS A 45 4.136 10.337 7.318 1.00 61.34 H new ATOM 0 HA LYS A 45 2.617 11.502 5.109 1.00 15.01 H new ATOM 0 HB2 LYS A 45 3.176 13.624 6.360 1.00 40.51 H new ATOM 0 HB3 LYS A 45 2.235 12.466 7.280 1.00 40.51 H new ATOM 0 HG2 LYS A 45 3.846 13.209 8.814 1.00 51.24 H new ATOM 0 HG3 LYS A 45 4.473 11.663 8.278 1.00 51.24 H new ATOM 0 HD2 LYS A 45 6.330 13.161 8.298 1.00 32.53 H new ATOM 0 HD3 LYS A 45 5.925 12.910 6.611 1.00 32.53 H new ATOM 0 HE2 LYS A 45 5.001 15.308 8.243 1.00 43.32 H new ATOM 0 HE3 LYS A 45 6.433 15.304 7.233 1.00 43.32 H new ATOM 0 HZ1 LYS A 45 4.988 16.094 5.725 1.00 35.12 H new ATOM 0 HZ2 LYS A 45 4.627 14.454 5.475 1.00 35.12 H new ATOM 0 HZ3 LYS A 45 3.628 15.402 6.469 1.00 35.12 H new ATOM 798 N ASP A 46 5.706 11.141 4.884 1.00 12.50 N ATOM 799 CA ASP A 46 6.918 11.472 4.143 1.00 40.43 C ATOM 800 C ASP A 46 6.847 10.892 2.741 1.00 60.03 C ATOM 801 O ASP A 46 7.697 11.164 1.889 1.00 33.22 O ATOM 802 CB ASP A 46 8.168 10.974 4.874 1.00 4.45 C ATOM 803 CG ASP A 46 9.445 11.513 4.258 1.00 22.22 C ATOM 804 OD1 ASP A 46 9.519 12.738 4.012 1.00 15.01 O ATOM 805 OD2 ASP A 46 10.385 10.726 4.032 1.00 64.20 O ATOM 0 H ASP A 46 5.727 10.239 5.360 1.00 12.50 H new ATOM 0 HA ASP A 46 6.989 12.557 4.071 1.00 40.43 H new ATOM 0 HB2 ASP A 46 8.118 11.273 5.921 1.00 4.45 H new ATOM 0 HB3 ASP A 46 8.189 9.884 4.854 1.00 4.45 H new ATOM 810 N ILE A 47 5.817 10.098 2.502 1.00 52.32 N ATOM 811 CA ILE A 47 5.561 9.574 1.174 1.00 21.33 C ATOM 812 C ILE A 47 5.156 10.725 0.260 1.00 33.24 C ATOM 813 O ILE A 47 4.266 11.507 0.591 1.00 63.43 O ATOM 814 CB ILE A 47 4.448 8.503 1.180 1.00 40.34 C ATOM 815 CG1 ILE A 47 4.697 7.460 2.278 1.00 51.52 C ATOM 816 CG2 ILE A 47 4.353 7.825 -0.183 1.00 71.15 C ATOM 817 CD1 ILE A 47 5.997 6.702 2.123 1.00 1.51 C ATOM 0 H ILE A 47 5.146 9.803 3.211 1.00 52.32 H new ATOM 0 HA ILE A 47 6.473 9.098 0.814 1.00 21.33 H new ATOM 0 HB ILE A 47 3.501 9.000 1.390 1.00 40.34 H new ATOM 0 HG12 ILE A 47 4.693 7.959 3.247 1.00 51.52 H new ATOM 0 HG13 ILE A 47 3.872 6.748 2.283 1.00 51.52 H new ATOM 0 HG21 ILE A 47 3.564 7.073 -0.161 1.00 71.15 H new ATOM 0 HG22 ILE A 47 4.123 8.570 -0.945 1.00 71.15 H new ATOM 0 HG23 ILE A 47 5.304 7.346 -0.418 1.00 71.15 H new ATOM 0 HD11 ILE A 47 6.099 5.985 2.937 1.00 1.51 H new ATOM 0 HD12 ILE A 47 5.998 6.172 1.170 1.00 1.51 H new ATOM 0 HD13 ILE A 47 6.832 7.402 2.150 1.00 1.51 H new ATOM 829 N LYS A 48 5.827 10.843 -0.872 1.00 74.12 N ATOM 830 CA LYS A 48 5.579 11.943 -1.789 1.00 15.12 C ATOM 831 C LYS A 48 4.974 11.415 -3.079 1.00 73.43 C ATOM 832 O LYS A 48 5.216 10.271 -3.451 1.00 63.10 O ATOM 833 CB LYS A 48 6.886 12.686 -2.056 1.00 31.11 C ATOM 834 CG LYS A 48 7.538 13.196 -0.782 1.00 13.12 C ATOM 835 CD LYS A 48 8.927 13.756 -1.030 1.00 33.33 C ATOM 836 CE LYS A 48 9.619 14.093 0.284 1.00 0.21 C ATOM 837 NZ LYS A 48 9.742 12.898 1.169 1.00 21.02 N ATOM 0 H LYS A 48 6.548 10.191 -1.179 1.00 74.12 H new ATOM 0 HA LYS A 48 4.869 12.641 -1.345 1.00 15.12 H new ATOM 0 HB2 LYS A 48 7.578 12.022 -2.573 1.00 31.11 H new ATOM 0 HB3 LYS A 48 6.692 13.526 -2.722 1.00 31.11 H new ATOM 0 HG2 LYS A 48 6.910 13.970 -0.340 1.00 13.12 H new ATOM 0 HG3 LYS A 48 7.600 12.384 -0.058 1.00 13.12 H new ATOM 0 HD2 LYS A 48 9.523 13.030 -1.584 1.00 33.33 H new ATOM 0 HD3 LYS A 48 8.858 14.650 -1.649 1.00 33.33 H new ATOM 0 HE2 LYS A 48 10.610 14.497 0.079 1.00 0.21 H new ATOM 0 HE3 LYS A 48 9.058 14.872 0.801 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 10.233 13.165 2.046 1.00 21.02 H new ATOM 0 HZ2 LYS A 48 8.794 12.537 1.399 1.00 21.02 H new ATOM 0 HZ3 LYS A 48 10.285 12.158 0.680 1.00 21.02 H new ATOM 851 N ARG A 49 4.194 12.246 -3.761 1.00 22.44 N ATOM 852 CA ARG A 49 3.468 11.806 -4.950 1.00 51.01 C ATOM 853 C ARG A 49 4.420 11.449 -6.086 1.00 53.10 C ATOM 854 O ARG A 49 4.195 10.482 -6.813 1.00 40.44 O ATOM 855 CB ARG A 49 2.451 12.868 -5.390 1.00 11.12 C ATOM 856 CG ARG A 49 3.032 14.253 -5.629 1.00 1.03 C ATOM 857 CD ARG A 49 1.924 15.274 -5.818 1.00 33.01 C ATOM 858 NE ARG A 49 2.433 16.585 -6.209 1.00 52.35 N ATOM 859 CZ ARG A 49 2.097 17.727 -5.605 1.00 5.00 C ATOM 860 NH1 ARG A 49 1.353 17.714 -4.509 1.00 61.04 N ATOM 861 NH2 ARG A 49 2.538 18.883 -6.078 1.00 51.04 N ATOM 0 H ARG A 49 4.047 13.225 -3.514 1.00 22.44 H new ATOM 0 HA ARG A 49 2.920 10.900 -4.690 1.00 51.01 H new ATOM 0 HB2 ARG A 49 1.968 12.530 -6.307 1.00 11.12 H new ATOM 0 HB3 ARG A 49 1.674 12.943 -4.629 1.00 11.12 H new ATOM 0 HG2 ARG A 49 3.658 14.541 -4.785 1.00 1.03 H new ATOM 0 HG3 ARG A 49 3.673 14.237 -6.511 1.00 1.03 H new ATOM 0 HD2 ARG A 49 1.230 14.916 -6.578 1.00 33.01 H new ATOM 0 HD3 ARG A 49 1.360 15.369 -4.890 1.00 33.01 H new ATOM 0 HE ARG A 49 3.085 16.631 -6.992 1.00 52.35 H new ATOM 0 HH11 ARG A 49 1.033 16.827 -4.121 1.00 61.04 H new ATOM 0 HH12 ARG A 49 1.101 18.591 -4.053 1.00 61.04 H new ATOM 0 HH21 ARG A 49 3.135 18.901 -6.905 1.00 51.04 H new ATOM 0 HH22 ARG A 49 2.280 19.755 -5.615 1.00 51.04 H new ATOM 875 N THR A 50 5.490 12.212 -6.221 1.00 72.20 N ATOM 876 CA THR A 50 6.494 11.936 -7.235 1.00 33.30 C ATOM 877 C THR A 50 7.281 10.677 -6.886 1.00 75.01 C ATOM 878 O THR A 50 7.744 9.953 -7.766 1.00 1.31 O ATOM 879 CB THR A 50 7.450 13.129 -7.403 1.00 23.24 C ATOM 880 OG1 THR A 50 7.874 13.607 -6.117 1.00 54.34 O ATOM 881 CG2 THR A 50 6.773 14.251 -8.172 1.00 43.04 C ATOM 0 H THR A 50 5.687 13.028 -5.641 1.00 72.20 H new ATOM 0 HA THR A 50 5.977 11.774 -8.181 1.00 33.30 H new ATOM 0 HB THR A 50 8.322 12.795 -7.966 1.00 23.24 H new ATOM 0 HG1 THR A 50 8.484 14.365 -6.235 1.00 54.34 H new ATOM 0 HG21 THR A 50 7.465 15.086 -8.281 1.00 43.04 H new ATOM 0 HG22 THR A 50 6.480 13.891 -9.158 1.00 43.04 H new ATOM 0 HG23 THR A 50 5.888 14.582 -7.629 1.00 43.04 H new ATOM 889 N GLU A 51 7.407 10.415 -5.591 1.00 34.41 N ATOM 890 CA GLU A 51 8.124 9.243 -5.110 1.00 70.03 C ATOM 891 C GLU A 51 7.258 7.997 -5.278 1.00 4.21 C ATOM 892 O GLU A 51 7.746 6.920 -5.624 1.00 43.35 O ATOM 893 CB GLU A 51 8.487 9.417 -3.636 1.00 22.35 C ATOM 894 CG GLU A 51 9.791 8.749 -3.239 1.00 32.54 C ATOM 895 CD GLU A 51 11.000 9.598 -3.581 1.00 55.40 C ATOM 896 OE1 GLU A 51 11.242 9.850 -4.781 1.00 63.23 O ATOM 897 OE2 GLU A 51 11.696 10.044 -2.644 1.00 10.00 O ATOM 0 H GLU A 51 7.019 11.002 -4.853 1.00 34.41 H new ATOM 0 HA GLU A 51 9.038 9.129 -5.693 1.00 70.03 H new ATOM 0 HB2 GLU A 51 8.553 10.482 -3.412 1.00 22.35 H new ATOM 0 HB3 GLU A 51 7.682 9.012 -3.024 1.00 22.35 H new ATOM 0 HG2 GLU A 51 9.782 8.548 -2.168 1.00 32.54 H new ATOM 0 HG3 GLU A 51 9.872 7.786 -3.743 1.00 32.54 H new ATOM 904 N TYR A 52 5.965 8.165 -5.027 1.00 1.52 N ATOM 905 CA TYR A 52 5.005 7.074 -5.105 1.00 22.51 C ATOM 906 C TYR A 52 4.820 6.611 -6.546 1.00 51.44 C ATOM 907 O TYR A 52 4.708 5.414 -6.811 1.00 13.31 O ATOM 908 CB TYR A 52 3.666 7.519 -4.504 1.00 71.32 C ATOM 909 CG TYR A 52 2.572 6.478 -4.591 1.00 3.04 C ATOM 910 CD1 TYR A 52 2.705 5.242 -3.968 1.00 25.10 C ATOM 911 CD2 TYR A 52 1.404 6.734 -5.296 1.00 10.54 C ATOM 912 CE1 TYR A 52 1.705 4.294 -4.047 1.00 60.30 C ATOM 913 CE2 TYR A 52 0.400 5.790 -5.378 1.00 65.41 C ATOM 914 CZ TYR A 52 0.554 4.573 -4.753 1.00 44.42 C ATOM 915 OH TYR A 52 -0.446 3.631 -4.833 1.00 72.30 O ATOM 0 H TYR A 52 5.554 9.061 -4.764 1.00 1.52 H new ATOM 0 HA TYR A 52 5.389 6.230 -4.532 1.00 22.51 H new ATOM 0 HB2 TYR A 52 3.820 7.782 -3.457 1.00 71.32 H new ATOM 0 HB3 TYR A 52 3.334 8.423 -5.014 1.00 71.32 H new ATOM 0 HD1 TYR A 52 3.605 5.020 -3.414 1.00 25.10 H new ATOM 0 HD2 TYR A 52 1.279 7.687 -5.788 1.00 10.54 H new ATOM 0 HE1 TYR A 52 1.823 3.338 -3.558 1.00 60.30 H new ATOM 0 HE2 TYR A 52 -0.503 6.005 -5.930 1.00 65.41 H new ATOM 0 HH TYR A 52 -1.151 3.846 -4.187 1.00 72.30 H new ATOM 925 N GLN A 53 4.793 7.561 -7.476 1.00 33.13 N ATOM 926 CA GLN A 53 4.687 7.232 -8.890 1.00 62.13 C ATOM 927 C GLN A 53 5.856 6.344 -9.324 1.00 54.31 C ATOM 928 O GLN A 53 5.675 5.392 -10.083 1.00 74.54 O ATOM 929 CB GLN A 53 4.642 8.501 -9.746 1.00 62.52 C ATOM 930 CG GLN A 53 4.570 8.203 -11.232 1.00 43.41 C ATOM 931 CD GLN A 53 3.324 7.427 -11.611 1.00 14.33 C ATOM 932 OE1 GLN A 53 2.242 7.647 -11.070 1.00 21.14 O ATOM 933 NE2 GLN A 53 3.484 6.472 -12.506 1.00 62.11 N ATOM 0 H GLN A 53 4.843 8.560 -7.275 1.00 33.13 H new ATOM 0 HA GLN A 53 3.756 6.685 -9.039 1.00 62.13 H new ATOM 0 HB2 GLN A 53 3.777 9.099 -9.457 1.00 62.52 H new ATOM 0 HB3 GLN A 53 5.528 9.103 -9.543 1.00 62.52 H new ATOM 0 HG2 GLN A 53 4.593 9.140 -11.788 1.00 43.41 H new ATOM 0 HG3 GLN A 53 5.452 7.635 -11.528 1.00 43.41 H new ATOM 0 HE21 GLN A 53 4.398 6.321 -12.933 1.00 62.11 H new ATOM 0 HE22 GLN A 53 2.694 5.885 -12.772 1.00 62.11 H new ATOM 942 N LYS A 54 7.050 6.659 -8.829 1.00 32.43 N ATOM 943 CA LYS A 54 8.240 5.850 -9.103 1.00 50.31 C ATOM 944 C LYS A 54 8.011 4.399 -8.700 1.00 22.14 C ATOM 945 O LYS A 54 8.395 3.476 -9.422 1.00 55.45 O ATOM 946 CB LYS A 54 9.452 6.391 -8.346 1.00 33.52 C ATOM 947 CG LYS A 54 9.847 7.803 -8.730 1.00 22.12 C ATOM 948 CD LYS A 54 10.954 8.322 -7.830 1.00 54.14 C ATOM 949 CE LYS A 54 11.296 9.768 -8.137 1.00 62.20 C ATOM 950 NZ LYS A 54 12.305 10.305 -7.186 1.00 72.01 N ATOM 0 H LYS A 54 7.222 7.470 -8.235 1.00 32.43 H new ATOM 0 HA LYS A 54 8.432 5.902 -10.175 1.00 50.31 H new ATOM 0 HB2 LYS A 54 9.240 6.363 -7.277 1.00 33.52 H new ATOM 0 HB3 LYS A 54 10.300 5.729 -8.520 1.00 33.52 H new ATOM 0 HG2 LYS A 54 10.178 7.822 -9.768 1.00 22.12 H new ATOM 0 HG3 LYS A 54 8.979 8.459 -8.660 1.00 22.12 H new ATOM 0 HD2 LYS A 54 10.647 8.234 -6.788 1.00 54.14 H new ATOM 0 HD3 LYS A 54 11.843 7.704 -7.953 1.00 54.14 H new ATOM 0 HE2 LYS A 54 11.678 9.844 -9.155 1.00 62.20 H new ATOM 0 HE3 LYS A 54 10.392 10.374 -8.090 1.00 62.20 H new ATOM 0 HZ1 LYS A 54 12.191 11.336 -7.104 1.00 72.01 H new ATOM 0 HZ2 LYS A 54 12.170 9.867 -6.253 1.00 72.01 H new ATOM 0 HZ3 LYS A 54 13.261 10.089 -7.535 1.00 72.01 H new ATOM 964 N PHE A 55 7.377 4.213 -7.548 1.00 71.25 N ATOM 965 CA PHE A 55 7.063 2.885 -7.041 1.00 0.01 C ATOM 966 C PHE A 55 6.099 2.171 -7.986 1.00 12.24 C ATOM 967 O PHE A 55 6.285 0.996 -8.305 1.00 62.34 O ATOM 968 CB PHE A 55 6.462 2.994 -5.633 1.00 74.12 C ATOM 969 CG PHE A 55 5.961 1.691 -5.072 1.00 11.02 C ATOM 970 CD1 PHE A 55 6.846 0.719 -4.634 1.00 62.22 C ATOM 971 CD2 PHE A 55 4.599 1.445 -4.977 1.00 62.44 C ATOM 972 CE1 PHE A 55 6.382 -0.475 -4.115 1.00 64.15 C ATOM 973 CE2 PHE A 55 4.130 0.255 -4.461 1.00 54.32 C ATOM 974 CZ PHE A 55 5.022 -0.708 -4.029 1.00 44.42 C ATOM 0 H PHE A 55 7.068 4.974 -6.943 1.00 71.25 H new ATOM 0 HA PHE A 55 7.980 2.299 -6.985 1.00 0.01 H new ATOM 0 HB2 PHE A 55 7.216 3.400 -4.959 1.00 74.12 H new ATOM 0 HB3 PHE A 55 5.638 3.707 -5.656 1.00 74.12 H new ATOM 0 HD1 PHE A 55 7.909 0.896 -4.699 1.00 62.22 H new ATOM 0 HD2 PHE A 55 3.897 2.195 -5.311 1.00 62.44 H new ATOM 0 HE1 PHE A 55 7.081 -1.225 -3.777 1.00 64.15 H new ATOM 0 HE2 PHE A 55 3.067 0.076 -4.395 1.00 54.32 H new ATOM 0 HZ PHE A 55 4.657 -1.641 -3.625 1.00 44.42 H new ATOM 984 N LEU A 56 5.083 2.896 -8.439 1.00 72.42 N ATOM 985 CA LEU A 56 4.097 2.345 -9.365 1.00 73.22 C ATOM 986 C LEU A 56 4.743 1.965 -10.691 1.00 43.13 C ATOM 987 O LEU A 56 4.434 0.918 -11.260 1.00 4.20 O ATOM 988 CB LEU A 56 2.975 3.352 -9.613 1.00 54.31 C ATOM 989 CG LEU A 56 2.154 3.734 -8.383 1.00 22.35 C ATOM 990 CD1 LEU A 56 1.106 4.767 -8.753 1.00 5.34 C ATOM 991 CD2 LEU A 56 1.501 2.504 -7.770 1.00 52.14 C ATOM 0 H LEU A 56 4.919 3.869 -8.180 1.00 72.42 H new ATOM 0 HA LEU A 56 3.680 1.447 -8.910 1.00 73.22 H new ATOM 0 HB2 LEU A 56 3.410 4.258 -10.034 1.00 54.31 H new ATOM 0 HB3 LEU A 56 2.301 2.942 -10.365 1.00 54.31 H new ATOM 0 HG LEU A 56 2.823 4.168 -7.640 1.00 22.35 H new ATOM 0 HD11 LEU A 56 0.527 5.031 -7.868 1.00 5.34 H new ATOM 0 HD12 LEU A 56 1.596 5.658 -9.145 1.00 5.34 H new ATOM 0 HD13 LEU A 56 0.441 4.355 -9.512 1.00 5.34 H new ATOM 0 HD21 LEU A 56 0.921 2.798 -6.895 1.00 52.14 H new ATOM 0 HD22 LEU A 56 0.842 2.039 -8.503 1.00 52.14 H new ATOM 0 HD23 LEU A 56 2.272 1.793 -7.472 1.00 52.14 H new ATOM 1003 N ASN A 57 5.640 2.824 -11.177 1.00 3.51 N ATOM 1004 CA ASN A 57 6.351 2.572 -12.430 1.00 74.20 C ATOM 1005 C ASN A 57 7.054 1.224 -12.386 1.00 4.12 C ATOM 1006 O ASN A 57 6.863 0.385 -13.265 1.00 20.10 O ATOM 1007 CB ASN A 57 7.398 3.658 -12.707 1.00 21.10 C ATOM 1008 CG ASN A 57 6.810 5.028 -12.995 1.00 43.22 C ATOM 1009 OD1 ASN A 57 5.724 5.159 -13.565 1.00 1.31 O ATOM 1010 ND2 ASN A 57 7.537 6.064 -12.605 1.00 13.10 N ATOM 0 H ASN A 57 5.891 3.701 -10.721 1.00 3.51 H new ATOM 0 HA ASN A 57 5.607 2.579 -13.226 1.00 74.20 H new ATOM 0 HB2 ASN A 57 8.063 3.734 -11.847 1.00 21.10 H new ATOM 0 HB3 ASN A 57 8.008 3.351 -13.556 1.00 21.10 H new ATOM 0 HD21 ASN A 57 7.204 7.013 -12.773 1.00 13.10 H new ATOM 0 HD22 ASN A 57 8.430 5.913 -12.136 1.00 13.10 H new ATOM 1017 N GLU A 58 7.851 1.020 -11.342 1.00 35.21 N ATOM 1018 CA GLU A 58 8.661 -0.184 -11.215 1.00 51.22 C ATOM 1019 C GLU A 58 7.795 -1.402 -10.912 1.00 22.13 C ATOM 1020 O GLU A 58 8.050 -2.497 -11.415 1.00 61.15 O ATOM 1021 CB GLU A 58 9.716 -0.006 -10.121 1.00 51.10 C ATOM 1022 CG GLU A 58 10.597 1.220 -10.309 1.00 4.21 C ATOM 1023 CD GLU A 58 11.294 1.248 -11.655 1.00 64.42 C ATOM 1024 OE1 GLU A 58 12.313 0.545 -11.815 1.00 70.13 O ATOM 1025 OE2 GLU A 58 10.838 1.992 -12.549 1.00 72.33 O ATOM 0 H GLU A 58 7.953 1.677 -10.569 1.00 35.21 H new ATOM 0 HA GLU A 58 9.162 -0.350 -12.168 1.00 51.22 H new ATOM 0 HB2 GLU A 58 9.216 0.063 -9.155 1.00 51.10 H new ATOM 0 HB3 GLU A 58 10.347 -0.894 -10.091 1.00 51.10 H new ATOM 0 HG2 GLU A 58 9.988 2.118 -10.203 1.00 4.21 H new ATOM 0 HG3 GLU A 58 11.346 1.247 -9.518 1.00 4.21 H new ATOM 1032 N TYR A 59 6.770 -1.212 -10.090 1.00 70.50 N ATOM 1033 CA TYR A 59 5.876 -2.304 -9.724 1.00 44.31 C ATOM 1034 C TYR A 59 5.115 -2.798 -10.951 1.00 13.25 C ATOM 1035 O TYR A 59 4.914 -4.005 -11.130 1.00 1.43 O ATOM 1036 CB TYR A 59 4.890 -1.853 -8.640 1.00 72.44 C ATOM 1037 CG TYR A 59 4.009 -2.966 -8.115 1.00 14.43 C ATOM 1038 CD1 TYR A 59 4.415 -3.749 -7.043 1.00 32.22 C ATOM 1039 CD2 TYR A 59 2.775 -3.237 -8.694 1.00 41.32 C ATOM 1040 CE1 TYR A 59 3.618 -4.769 -6.559 1.00 32.34 C ATOM 1041 CE2 TYR A 59 1.972 -4.255 -8.218 1.00 72.23 C ATOM 1042 CZ TYR A 59 2.398 -5.017 -7.150 1.00 64.30 C ATOM 1043 OH TYR A 59 1.604 -6.036 -6.679 1.00 42.13 O ATOM 0 H TYR A 59 6.537 -0.314 -9.665 1.00 70.50 H new ATOM 0 HA TYR A 59 6.477 -3.122 -9.328 1.00 44.31 H new ATOM 0 HB2 TYR A 59 5.449 -1.422 -7.809 1.00 72.44 H new ATOM 0 HB3 TYR A 59 4.258 -1.061 -9.043 1.00 72.44 H new ATOM 0 HD1 TYR A 59 5.371 -3.558 -6.579 1.00 32.22 H new ATOM 0 HD2 TYR A 59 2.438 -2.642 -9.530 1.00 41.32 H new ATOM 0 HE1 TYR A 59 3.949 -5.368 -5.723 1.00 32.34 H new ATOM 0 HE2 TYR A 59 1.016 -4.453 -8.679 1.00 72.23 H new ATOM 0 HH TYR A 59 0.747 -5.670 -6.376 1.00 42.13 H new ATOM 1053 N GLY A 60 4.720 -1.859 -11.801 1.00 2.12 N ATOM 1054 CA GLY A 60 3.968 -2.196 -12.993 1.00 3.42 C ATOM 1055 C GLY A 60 4.839 -2.768 -14.094 1.00 42.11 C ATOM 1056 O GLY A 60 4.361 -3.022 -15.193 1.00 21.24 O ATOM 0 H GLY A 60 4.909 -0.863 -11.684 1.00 2.12 H new ATOM 0 HA2 GLY A 60 3.193 -2.919 -12.736 1.00 3.42 H new ATOM 0 HA3 GLY A 60 3.462 -1.304 -13.362 1.00 3.42 H new ATOM 1060 N LEU A 61 6.122 -2.957 -13.804 1.00 4.15 N ATOM 1061 CA LEU A 61 7.041 -3.575 -14.756 1.00 11.31 C ATOM 1062 C LEU A 61 7.079 -5.087 -14.565 1.00 12.32 C ATOM 1063 O LEU A 61 7.633 -5.813 -15.390 1.00 75.34 O ATOM 1064 CB LEU A 61 8.454 -3.008 -14.594 1.00 12.10 C ATOM 1065 CG LEU A 61 8.604 -1.513 -14.880 1.00 73.11 C ATOM 1066 CD1 LEU A 61 10.029 -1.062 -14.613 1.00 3.20 C ATOM 1067 CD2 LEU A 61 8.214 -1.201 -16.314 1.00 52.31 C ATOM 0 H LEU A 61 6.550 -2.691 -12.917 1.00 4.15 H new ATOM 0 HA LEU A 61 6.679 -3.350 -15.759 1.00 11.31 H new ATOM 0 HB2 LEU A 61 8.788 -3.200 -13.574 1.00 12.10 H new ATOM 0 HB3 LEU A 61 9.124 -3.555 -15.257 1.00 12.10 H new ATOM 0 HG LEU A 61 7.935 -0.969 -14.213 1.00 73.11 H new ATOM 0 HD11 LEU A 61 10.118 0.004 -14.822 1.00 3.20 H new ATOM 0 HD12 LEU A 61 10.281 -1.250 -13.569 1.00 3.20 H new ATOM 0 HD13 LEU A 61 10.713 -1.616 -15.256 1.00 3.20 H new ATOM 0 HD21 LEU A 61 8.328 -0.133 -16.498 1.00 52.31 H new ATOM 0 HD22 LEU A 61 8.858 -1.757 -16.995 1.00 52.31 H new ATOM 0 HD23 LEU A 61 7.176 -1.489 -16.480 1.00 52.31 H new ATOM 1079 N THR A 62 6.499 -5.560 -13.469 1.00 62.12 N ATOM 1080 CA THR A 62 6.541 -6.979 -13.140 1.00 15.13 C ATOM 1081 C THR A 62 5.160 -7.525 -12.783 1.00 11.35 C ATOM 1082 O THR A 62 5.023 -8.697 -12.428 1.00 72.24 O ATOM 1083 CB THR A 62 7.498 -7.231 -11.960 1.00 54.44 C ATOM 1084 OG1 THR A 62 7.246 -6.276 -10.915 1.00 41.03 O ATOM 1085 CG2 THR A 62 8.949 -7.133 -12.403 1.00 40.01 C ATOM 0 H THR A 62 5.995 -4.984 -12.795 1.00 62.12 H new ATOM 0 HA THR A 62 6.899 -7.499 -14.029 1.00 15.13 H new ATOM 0 HB THR A 62 7.320 -8.239 -11.586 1.00 54.44 H new ATOM 0 HG1 THR A 62 6.360 -6.440 -10.529 1.00 41.03 H new ATOM 0 HG21 THR A 62 9.603 -7.315 -11.550 1.00 40.01 H new ATOM 0 HG22 THR A 62 9.145 -7.877 -13.176 1.00 40.01 H new ATOM 0 HG23 THR A 62 9.141 -6.137 -12.801 1.00 40.01 H new ATOM 1093 N HIS A 63 4.138 -6.683 -12.875 1.00 71.24 N ATOM 1094 CA HIS A 63 2.796 -7.074 -12.455 1.00 24.34 C ATOM 1095 C HIS A 63 1.750 -6.583 -13.446 1.00 31.55 C ATOM 1096 O HIS A 63 2.041 -5.750 -14.303 1.00 25.25 O ATOM 1097 CB HIS A 63 2.501 -6.538 -11.048 1.00 31.03 C ATOM 1098 CG HIS A 63 3.311 -7.200 -9.971 1.00 11.10 C ATOM 1099 ND1 HIS A 63 4.581 -6.790 -9.617 1.00 64.41 N ATOM 1100 CD2 HIS A 63 3.028 -8.259 -9.177 1.00 12.04 C ATOM 1101 CE1 HIS A 63 5.039 -7.568 -8.653 1.00 74.31 C ATOM 1102 NE2 HIS A 63 4.116 -8.468 -8.365 1.00 5.32 N ATOM 0 H HIS A 63 4.210 -5.731 -13.234 1.00 71.24 H new ATOM 0 HA HIS A 63 2.750 -8.163 -12.430 1.00 24.34 H new ATOM 0 HB2 HIS A 63 2.694 -5.465 -11.029 1.00 31.03 H new ATOM 0 HB3 HIS A 63 1.442 -6.675 -10.831 1.00 31.03 H new ATOM 0 HD2 HIS A 63 2.114 -8.834 -9.181 1.00 12.04 H new ATOM 0 HE1 HIS A 63 6.006 -7.483 -8.180 1.00 74.31 H new ATOM 0 HE2 HIS A 63 4.198 -9.197 -7.657 1.00 5.32 H new ATOM 1111 N SER A 64 0.535 -7.098 -13.321 1.00 41.30 N ATOM 1112 CA SER A 64 -0.530 -6.780 -14.258 1.00 24.52 C ATOM 1113 C SER A 64 -1.258 -5.501 -13.837 1.00 53.31 C ATOM 1114 O SER A 64 -1.073 -5.005 -12.721 1.00 4.04 O ATOM 1115 CB SER A 64 -1.506 -7.957 -14.346 1.00 4.32 C ATOM 1116 OG SER A 64 -2.376 -7.832 -15.458 1.00 32.41 O ATOM 0 H SER A 64 0.263 -7.740 -12.577 1.00 41.30 H new ATOM 0 HA SER A 64 -0.096 -6.607 -15.243 1.00 24.52 H new ATOM 0 HB2 SER A 64 -0.946 -8.889 -14.424 1.00 4.32 H new ATOM 0 HB3 SER A 64 -2.093 -8.013 -13.429 1.00 4.32 H new ATOM 0 HG SER A 64 -2.984 -8.600 -15.485 1.00 32.41 H new ATOM 1122 N TYR A 65 -2.094 -4.981 -14.732 1.00 33.31 N ATOM 1123 CA TYR A 65 -2.787 -3.718 -14.507 1.00 13.53 C ATOM 1124 C TYR A 65 -3.744 -3.792 -13.317 1.00 51.35 C ATOM 1125 O TYR A 65 -3.798 -2.876 -12.497 1.00 3.42 O ATOM 1126 CB TYR A 65 -3.550 -3.306 -15.768 1.00 62.04 C ATOM 1127 CG TYR A 65 -4.431 -2.092 -15.574 1.00 72.14 C ATOM 1128 CD1 TYR A 65 -3.881 -0.821 -15.441 1.00 32.01 C ATOM 1129 CD2 TYR A 65 -5.813 -2.219 -15.515 1.00 52.15 C ATOM 1130 CE1 TYR A 65 -4.685 0.287 -15.252 1.00 1.24 C ATOM 1131 CE2 TYR A 65 -6.618 -1.117 -15.328 1.00 23.00 C ATOM 1132 CZ TYR A 65 -6.053 0.131 -15.196 1.00 30.00 C ATOM 1133 OH TYR A 65 -6.862 1.226 -14.998 1.00 21.14 O ATOM 0 H TYR A 65 -2.308 -5.420 -15.627 1.00 33.31 H new ATOM 0 HA TYR A 65 -2.032 -2.967 -14.274 1.00 13.53 H new ATOM 0 HB2 TYR A 65 -2.835 -3.102 -16.565 1.00 62.04 H new ATOM 0 HB3 TYR A 65 -4.166 -4.142 -16.099 1.00 62.04 H new ATOM 0 HD1 TYR A 65 -2.809 -0.698 -15.486 1.00 32.01 H new ATOM 0 HD2 TYR A 65 -6.263 -3.196 -15.617 1.00 52.15 H new ATOM 0 HE1 TYR A 65 -4.245 1.268 -15.149 1.00 1.24 H new ATOM 0 HE2 TYR A 65 -7.691 -1.232 -15.285 1.00 23.00 H new ATOM 0 HH TYR A 65 -7.800 0.942 -14.985 1.00 21.14 H new ATOM 1143 N GLU A 66 -4.506 -4.868 -13.223 1.00 13.20 N ATOM 1144 CA GLU A 66 -5.441 -5.023 -12.121 1.00 52.55 C ATOM 1145 C GLU A 66 -4.686 -5.089 -10.800 1.00 35.33 C ATOM 1146 O GLU A 66 -5.149 -4.582 -9.775 1.00 4.15 O ATOM 1147 CB GLU A 66 -6.280 -6.282 -12.294 1.00 24.05 C ATOM 1148 CG GLU A 66 -7.571 -6.238 -11.506 1.00 5.13 C ATOM 1149 CD GLU A 66 -8.185 -7.606 -11.318 1.00 24.40 C ATOM 1150 OE1 GLU A 66 -8.649 -8.197 -12.311 1.00 2.20 O ATOM 1151 OE2 GLU A 66 -8.216 -8.092 -10.164 1.00 0.05 O ATOM 0 H GLU A 66 -4.497 -5.641 -13.889 1.00 13.20 H new ATOM 0 HA GLU A 66 -6.106 -4.159 -12.116 1.00 52.55 H new ATOM 0 HB2 GLU A 66 -6.509 -6.418 -13.351 1.00 24.05 H new ATOM 0 HB3 GLU A 66 -5.697 -7.148 -11.980 1.00 24.05 H new ATOM 0 HG2 GLU A 66 -7.381 -5.792 -10.530 1.00 5.13 H new ATOM 0 HG3 GLU A 66 -8.283 -5.592 -12.019 1.00 5.13 H new ATOM 1158 N THR A 67 -3.510 -5.699 -10.842 1.00 20.55 N ATOM 1159 CA THR A 67 -2.675 -5.840 -9.668 1.00 22.24 C ATOM 1160 C THR A 67 -2.251 -4.470 -9.144 1.00 55.44 C ATOM 1161 O THR A 67 -2.353 -4.196 -7.948 1.00 24.25 O ATOM 1162 CB THR A 67 -1.426 -6.678 -9.989 1.00 51.24 C ATOM 1163 OG1 THR A 67 -1.784 -7.766 -10.854 1.00 15.22 O ATOM 1164 CG2 THR A 67 -0.798 -7.229 -8.718 1.00 1.53 C ATOM 0 H THR A 67 -3.113 -6.107 -11.689 1.00 20.55 H new ATOM 0 HA THR A 67 -3.257 -6.350 -8.900 1.00 22.24 H new ATOM 0 HB THR A 67 -0.699 -6.033 -10.484 1.00 51.24 H new ATOM 0 HG1 THR A 67 -0.986 -8.297 -11.058 1.00 15.22 H new ATOM 0 HG21 THR A 67 0.083 -7.818 -8.973 1.00 1.53 H new ATOM 0 HG22 THR A 67 -0.507 -6.403 -8.068 1.00 1.53 H new ATOM 0 HG23 THR A 67 -1.519 -7.861 -8.200 1.00 1.53 H new ATOM 1172 N ILE A 68 -1.807 -3.599 -10.047 1.00 33.55 N ATOM 1173 CA ILE A 68 -1.359 -2.269 -9.657 1.00 32.51 C ATOM 1174 C ILE A 68 -2.545 -1.407 -9.211 1.00 30.43 C ATOM 1175 O ILE A 68 -2.406 -0.572 -8.315 1.00 20.34 O ATOM 1176 CB ILE A 68 -0.546 -1.561 -10.778 1.00 74.02 C ATOM 1177 CG1 ILE A 68 0.143 -0.307 -10.226 1.00 51.12 C ATOM 1178 CG2 ILE A 68 -1.427 -1.203 -11.965 1.00 60.42 C ATOM 1179 CD1 ILE A 68 1.014 0.407 -11.239 1.00 14.04 C ATOM 0 H ILE A 68 -1.749 -3.790 -11.047 1.00 33.55 H new ATOM 0 HA ILE A 68 -0.682 -2.396 -8.812 1.00 32.51 H new ATOM 0 HB ILE A 68 0.215 -2.258 -11.128 1.00 74.02 H new ATOM 0 HG12 ILE A 68 -0.618 0.384 -9.863 1.00 51.12 H new ATOM 0 HG13 ILE A 68 0.754 -0.587 -9.368 1.00 51.12 H new ATOM 0 HG21 ILE A 68 -0.826 -0.710 -12.729 1.00 60.42 H new ATOM 0 HG22 ILE A 68 -1.866 -2.111 -12.379 1.00 60.42 H new ATOM 0 HG23 ILE A 68 -2.221 -0.531 -11.639 1.00 60.42 H new ATOM 0 HD11 ILE A 68 1.467 1.283 -10.776 1.00 14.04 H new ATOM 0 HD12 ILE A 68 1.798 -0.267 -11.584 1.00 14.04 H new ATOM 0 HD13 ILE A 68 0.404 0.719 -12.087 1.00 14.04 H new ATOM 1191 N ARG A 69 -3.716 -1.615 -9.826 1.00 74.55 N ATOM 1192 CA ARG A 69 -4.925 -0.908 -9.400 1.00 24.53 C ATOM 1193 C ARG A 69 -5.242 -1.216 -7.950 1.00 24.22 C ATOM 1194 O ARG A 69 -5.448 -0.311 -7.142 1.00 2.43 O ATOM 1195 CB ARG A 69 -6.146 -1.300 -10.227 1.00 12.22 C ATOM 1196 CG ARG A 69 -6.173 -0.741 -11.630 1.00 54.22 C ATOM 1197 CD ARG A 69 -7.601 -0.649 -12.150 1.00 40.22 C ATOM 1198 NE ARG A 69 -8.385 -1.846 -11.837 1.00 65.32 N ATOM 1199 CZ ARG A 69 -9.135 -2.504 -12.722 1.00 72.44 C ATOM 1200 NH1 ARG A 69 -9.235 -2.067 -13.973 1.00 2.12 N ATOM 1201 NH2 ARG A 69 -9.806 -3.586 -12.350 1.00 13.21 N ATOM 0 H ARG A 69 -3.849 -2.257 -10.607 1.00 74.55 H new ATOM 0 HA ARG A 69 -4.719 0.153 -9.539 1.00 24.53 H new ATOM 0 HB2 ARG A 69 -6.193 -2.387 -10.284 1.00 12.22 H new ATOM 0 HB3 ARG A 69 -7.043 -0.969 -9.703 1.00 12.22 H new ATOM 0 HG2 ARG A 69 -5.713 0.247 -11.641 1.00 54.22 H new ATOM 0 HG3 ARG A 69 -5.581 -1.375 -12.290 1.00 54.22 H new ATOM 0 HD2 ARG A 69 -8.088 0.225 -11.717 1.00 40.22 H new ATOM 0 HD3 ARG A 69 -7.583 -0.501 -13.230 1.00 40.22 H new ATOM 0 HE ARG A 69 -8.355 -2.199 -10.881 1.00 65.32 H new ATOM 0 HH11 ARG A 69 -8.737 -1.225 -14.260 1.00 2.12 H new ATOM 0 HH12 ARG A 69 -9.810 -2.574 -14.646 1.00 2.12 H new ATOM 0 HH21 ARG A 69 -9.749 -3.915 -11.386 1.00 13.21 H new ATOM 0 HH22 ARG A 69 -10.379 -4.089 -13.028 1.00 13.21 H new ATOM 1215 N LYS A 70 -5.278 -2.500 -7.625 1.00 42.10 N ATOM 1216 CA LYS A 70 -5.617 -2.929 -6.283 1.00 3.11 C ATOM 1217 C LYS A 70 -4.513 -2.574 -5.303 1.00 13.41 C ATOM 1218 O LYS A 70 -4.794 -2.236 -4.158 1.00 1.04 O ATOM 1219 CB LYS A 70 -5.949 -4.422 -6.266 1.00 52.13 C ATOM 1220 CG LYS A 70 -7.435 -4.679 -6.474 1.00 22.55 C ATOM 1221 CD LYS A 70 -7.709 -5.849 -7.405 1.00 31.13 C ATOM 1222 CE LYS A 70 -7.227 -7.170 -6.833 1.00 54.45 C ATOM 1223 NZ LYS A 70 -7.816 -8.319 -7.568 1.00 65.33 N ATOM 0 H LYS A 70 -5.076 -3.260 -8.275 1.00 42.10 H new ATOM 0 HA LYS A 70 -6.510 -2.394 -5.960 1.00 3.11 H new ATOM 0 HB2 LYS A 70 -5.381 -4.928 -7.046 1.00 52.13 H new ATOM 0 HB3 LYS A 70 -5.637 -4.852 -5.314 1.00 52.13 H new ATOM 0 HG2 LYS A 70 -7.904 -4.872 -5.509 1.00 22.55 H new ATOM 0 HG3 LYS A 70 -7.900 -3.781 -6.881 1.00 22.55 H new ATOM 0 HD2 LYS A 70 -8.779 -5.910 -7.601 1.00 31.13 H new ATOM 0 HD3 LYS A 70 -7.219 -5.670 -8.362 1.00 31.13 H new ATOM 0 HE2 LYS A 70 -6.139 -7.218 -6.888 1.00 54.45 H new ATOM 0 HE3 LYS A 70 -7.496 -7.233 -5.779 1.00 54.45 H new ATOM 0 HZ1 LYS A 70 -7.148 -9.116 -7.559 1.00 65.33 H new ATOM 0 HZ2 LYS A 70 -8.704 -8.606 -7.109 1.00 65.33 H new ATOM 0 HZ3 LYS A 70 -8.009 -8.040 -8.551 1.00 65.33 H new ATOM 1237 N LEU A 71 -3.267 -2.617 -5.763 1.00 75.22 N ATOM 1238 CA LEU A 71 -2.144 -2.125 -4.970 1.00 64.51 C ATOM 1239 C LEU A 71 -2.426 -0.696 -4.508 1.00 43.34 C ATOM 1240 O LEU A 71 -2.416 -0.397 -3.313 1.00 64.14 O ATOM 1241 CB LEU A 71 -0.857 -2.147 -5.801 1.00 64.51 C ATOM 1242 CG LEU A 71 0.355 -1.479 -5.145 1.00 13.00 C ATOM 1243 CD1 LEU A 71 0.905 -2.338 -4.019 1.00 73.03 C ATOM 1244 CD2 LEU A 71 1.430 -1.196 -6.181 1.00 63.33 C ATOM 0 H LEU A 71 -3.009 -2.986 -6.678 1.00 75.22 H new ATOM 0 HA LEU A 71 -2.018 -2.772 -4.102 1.00 64.51 H new ATOM 0 HB2 LEU A 71 -0.604 -3.184 -6.023 1.00 64.51 H new ATOM 0 HB3 LEU A 71 -1.051 -1.655 -6.754 1.00 64.51 H new ATOM 0 HG LEU A 71 0.032 -0.531 -4.716 1.00 13.00 H new ATOM 0 HD11 LEU A 71 1.765 -1.842 -3.569 1.00 73.03 H new ATOM 0 HD12 LEU A 71 0.134 -2.484 -3.263 1.00 73.03 H new ATOM 0 HD13 LEU A 71 1.211 -3.306 -4.416 1.00 73.03 H new ATOM 0 HD21 LEU A 71 2.284 -0.721 -5.698 1.00 63.33 H new ATOM 0 HD22 LEU A 71 1.747 -2.132 -6.641 1.00 63.33 H new ATOM 0 HD23 LEU A 71 1.031 -0.532 -6.947 1.00 63.33 H new ATOM 1256 N ASN A 72 -2.699 0.169 -5.480 1.00 70.33 N ATOM 1257 CA ASN A 72 -3.040 1.561 -5.212 1.00 13.32 C ATOM 1258 C ASN A 72 -4.296 1.658 -4.353 1.00 51.44 C ATOM 1259 O ASN A 72 -4.378 2.490 -3.452 1.00 14.22 O ATOM 1260 CB ASN A 72 -3.240 2.315 -6.532 1.00 1.10 C ATOM 1261 CG ASN A 72 -3.721 3.741 -6.331 1.00 73.13 C ATOM 1262 OD1 ASN A 72 -4.922 4.015 -6.352 1.00 32.41 O ATOM 1263 ND2 ASN A 72 -2.791 4.658 -6.120 1.00 73.20 N ATOM 0 H ASN A 72 -2.690 -0.074 -6.471 1.00 70.33 H new ATOM 0 HA ASN A 72 -2.217 2.017 -4.662 1.00 13.32 H new ATOM 0 HB2 ASN A 72 -2.300 2.328 -7.083 1.00 1.10 H new ATOM 0 HB3 ASN A 72 -3.962 1.777 -7.146 1.00 1.10 H new ATOM 0 HD21 ASN A 72 -3.059 5.630 -5.968 1.00 73.20 H new ATOM 0 HD22 ASN A 72 -1.806 4.393 -6.110 1.00 73.20 H new ATOM 1270 N SER A 73 -5.263 0.790 -4.631 1.00 13.41 N ATOM 1271 CA SER A 73 -6.516 0.765 -3.885 1.00 52.12 C ATOM 1272 C SER A 73 -6.281 0.523 -2.389 1.00 53.13 C ATOM 1273 O SER A 73 -6.871 1.208 -1.550 1.00 24.52 O ATOM 1274 CB SER A 73 -7.448 -0.306 -4.456 1.00 22.52 C ATOM 1275 OG SER A 73 -7.735 -0.053 -5.824 1.00 41.32 O ATOM 0 H SER A 73 -5.202 0.091 -5.371 1.00 13.41 H new ATOM 0 HA SER A 73 -6.985 1.743 -3.991 1.00 52.12 H new ATOM 0 HB2 SER A 73 -6.986 -1.288 -4.353 1.00 22.52 H new ATOM 0 HB3 SER A 73 -8.376 -0.329 -3.884 1.00 22.52 H new ATOM 0 HG SER A 73 -6.989 -0.364 -6.378 1.00 41.32 H new ATOM 1281 N TYR A 74 -5.416 -0.438 -2.057 1.00 43.30 N ATOM 1282 CA TYR A 74 -5.120 -0.743 -0.657 1.00 71.11 C ATOM 1283 C TYR A 74 -4.414 0.442 -0.011 1.00 61.15 C ATOM 1284 O TYR A 74 -4.773 0.881 1.080 1.00 35.33 O ATOM 1285 CB TYR A 74 -4.229 -1.985 -0.520 1.00 52.02 C ATOM 1286 CG TYR A 74 -4.688 -3.190 -1.311 1.00 14.14 C ATOM 1287 CD1 TYR A 74 -6.038 -3.483 -1.473 1.00 2.32 C ATOM 1288 CD2 TYR A 74 -3.759 -4.033 -1.906 1.00 72.12 C ATOM 1289 CE1 TYR A 74 -6.446 -4.584 -2.205 1.00 13.31 C ATOM 1290 CE2 TYR A 74 -4.157 -5.131 -2.640 1.00 64.04 C ATOM 1291 CZ TYR A 74 -5.501 -5.404 -2.787 1.00 42.13 C ATOM 1292 OH TYR A 74 -5.901 -6.499 -3.523 1.00 30.54 O ATOM 0 H TYR A 74 -4.913 -1.013 -2.732 1.00 43.30 H new ATOM 0 HA TYR A 74 -6.068 -0.943 -0.158 1.00 71.11 H new ATOM 0 HB2 TYR A 74 -3.218 -1.725 -0.835 1.00 52.02 H new ATOM 0 HB3 TYR A 74 -4.174 -2.260 0.533 1.00 52.02 H new ATOM 0 HD1 TYR A 74 -6.779 -2.841 -1.020 1.00 2.32 H new ATOM 0 HD2 TYR A 74 -2.705 -3.825 -1.792 1.00 72.12 H new ATOM 0 HE1 TYR A 74 -7.498 -4.800 -2.320 1.00 13.31 H new ATOM 0 HE2 TYR A 74 -3.420 -5.774 -3.097 1.00 64.04 H new ATOM 0 HH TYR A 74 -5.147 -6.828 -4.056 1.00 30.54 H new ATOM 1302 N ILE A 75 -3.416 0.959 -0.717 1.00 24.21 N ATOM 1303 CA ILE A 75 -2.625 2.084 -0.237 1.00 33.35 C ATOM 1304 C ILE A 75 -3.501 3.321 -0.019 1.00 45.41 C ATOM 1305 O ILE A 75 -3.399 3.989 1.012 1.00 15.43 O ATOM 1306 CB ILE A 75 -1.482 2.409 -1.226 1.00 61.33 C ATOM 1307 CG1 ILE A 75 -0.529 1.212 -1.334 1.00 22.45 C ATOM 1308 CG2 ILE A 75 -0.724 3.656 -0.795 1.00 70.12 C ATOM 1309 CD1 ILE A 75 0.587 1.404 -2.339 1.00 34.32 C ATOM 0 H ILE A 75 -3.134 0.612 -1.634 1.00 24.21 H new ATOM 0 HA ILE A 75 -2.190 1.799 0.721 1.00 33.35 H new ATOM 0 HB ILE A 75 -1.919 2.606 -2.205 1.00 61.33 H new ATOM 0 HG12 ILE A 75 -0.093 1.018 -0.354 1.00 22.45 H new ATOM 0 HG13 ILE A 75 -1.103 0.327 -1.608 1.00 22.45 H new ATOM 0 HG21 ILE A 75 0.074 3.861 -1.508 1.00 70.12 H new ATOM 0 HG22 ILE A 75 -1.408 4.504 -0.762 1.00 70.12 H new ATOM 0 HG23 ILE A 75 -0.295 3.497 0.194 1.00 70.12 H new ATOM 0 HD11 ILE A 75 1.217 0.515 -2.357 1.00 34.32 H new ATOM 0 HD12 ILE A 75 0.161 1.567 -3.329 1.00 34.32 H new ATOM 0 HD13 ILE A 75 1.187 2.269 -2.056 1.00 34.32 H new ATOM 1321 N ARG A 76 -4.371 3.612 -0.980 1.00 2.43 N ATOM 1322 CA ARG A 76 -5.268 4.753 -0.868 1.00 63.11 C ATOM 1323 C ARG A 76 -6.254 4.578 0.274 1.00 64.23 C ATOM 1324 O ARG A 76 -6.565 5.539 0.972 1.00 30.25 O ATOM 1325 CB ARG A 76 -6.024 4.997 -2.173 1.00 61.52 C ATOM 1326 CG ARG A 76 -5.329 5.984 -3.091 1.00 22.24 C ATOM 1327 CD ARG A 76 -6.199 6.354 -4.279 1.00 62.40 C ATOM 1328 NE ARG A 76 -5.642 7.475 -5.036 1.00 15.22 N ATOM 1329 CZ ARG A 76 -5.882 7.697 -6.327 1.00 64.01 C ATOM 1330 NH1 ARG A 76 -6.661 6.869 -7.014 1.00 65.52 N ATOM 1331 NH2 ARG A 76 -5.341 8.751 -6.928 1.00 25.53 N ATOM 0 H ARG A 76 -4.473 3.075 -1.841 1.00 2.43 H new ATOM 0 HA ARG A 76 -4.647 5.623 -0.657 1.00 63.11 H new ATOM 0 HB2 ARG A 76 -6.148 4.049 -2.696 1.00 61.52 H new ATOM 0 HB3 ARG A 76 -7.023 5.367 -1.943 1.00 61.52 H new ATOM 0 HG2 ARG A 76 -5.075 6.884 -2.532 1.00 22.24 H new ATOM 0 HG3 ARG A 76 -4.392 5.554 -3.446 1.00 22.24 H new ATOM 0 HD2 ARG A 76 -6.304 5.490 -4.935 1.00 62.40 H new ATOM 0 HD3 ARG A 76 -7.199 6.613 -3.930 1.00 62.40 H new ATOM 0 HE ARG A 76 -5.032 8.128 -4.544 1.00 15.22 H new ATOM 0 HH11 ARG A 76 -7.078 6.060 -6.553 1.00 65.52 H new ATOM 0 HH12 ARG A 76 -6.843 7.042 -8.003 1.00 65.52 H new ATOM 0 HH21 ARG A 76 -4.744 9.388 -6.401 1.00 25.53 H new ATOM 0 HH22 ARG A 76 -5.523 8.923 -7.917 1.00 25.53 H new ATOM 1345 N ASN A 77 -6.733 3.356 0.477 1.00 52.42 N ATOM 1346 CA ASN A 77 -7.675 3.090 1.556 1.00 72.14 C ATOM 1347 C ASN A 77 -6.988 3.316 2.897 1.00 43.05 C ATOM 1348 O ASN A 77 -7.580 3.857 3.824 1.00 43.25 O ATOM 1349 CB ASN A 77 -8.219 1.658 1.484 1.00 2.04 C ATOM 1350 CG ASN A 77 -9.548 1.499 2.212 1.00 4.42 C ATOM 1351 OD1 ASN A 77 -9.881 2.263 3.120 1.00 23.11 O ATOM 1352 ND2 ASN A 77 -10.308 0.482 1.837 1.00 41.41 N ATOM 0 H ASN A 77 -6.487 2.541 -0.086 1.00 52.42 H new ATOM 0 HA ASN A 77 -8.517 3.774 1.451 1.00 72.14 H new ATOM 0 HB2 ASN A 77 -8.345 1.373 0.439 1.00 2.04 H new ATOM 0 HB3 ASN A 77 -7.488 0.974 1.915 1.00 2.04 H new ATOM 0 HD21 ASN A 77 -11.199 0.312 2.304 1.00 41.41 H new ATOM 0 HD22 ASN A 77 -10.003 -0.131 1.082 1.00 41.41 H new ATOM 1359 N ALA A 78 -5.722 2.913 2.982 1.00 32.13 N ATOM 1360 CA ALA A 78 -4.930 3.112 4.191 1.00 55.01 C ATOM 1361 C ALA A 78 -4.790 4.598 4.515 1.00 11.11 C ATOM 1362 O ALA A 78 -5.005 5.018 5.655 1.00 21.44 O ATOM 1363 CB ALA A 78 -3.558 2.476 4.037 1.00 22.35 C ATOM 0 H ALA A 78 -5.223 2.446 2.225 1.00 32.13 H new ATOM 0 HA ALA A 78 -5.450 2.630 5.019 1.00 55.01 H new ATOM 0 HB1 ALA A 78 -2.980 2.633 4.947 1.00 22.35 H new ATOM 0 HB2 ALA A 78 -3.671 1.407 3.859 1.00 22.35 H new ATOM 0 HB3 ALA A 78 -3.038 2.931 3.194 1.00 22.35 H new ATOM 1369 N PHE A 79 -4.431 5.389 3.505 1.00 22.22 N ATOM 1370 CA PHE A 79 -4.319 6.835 3.666 1.00 64.52 C ATOM 1371 C PHE A 79 -5.671 7.456 3.992 1.00 33.22 C ATOM 1372 O PHE A 79 -5.787 8.254 4.920 1.00 50.02 O ATOM 1373 CB PHE A 79 -3.755 7.491 2.400 1.00 14.31 C ATOM 1374 CG PHE A 79 -2.272 7.334 2.228 1.00 0.25 C ATOM 1375 CD1 PHE A 79 -1.393 7.870 3.155 1.00 21.11 C ATOM 1376 CD2 PHE A 79 -1.756 6.666 1.131 1.00 73.01 C ATOM 1377 CE1 PHE A 79 -0.028 7.740 2.991 1.00 60.00 C ATOM 1378 CE2 PHE A 79 -0.392 6.533 0.964 1.00 40.33 C ATOM 1379 CZ PHE A 79 0.473 7.070 1.894 1.00 10.13 C ATOM 0 H PHE A 79 -4.213 5.052 2.567 1.00 22.22 H new ATOM 0 HA PHE A 79 -3.634 7.013 4.495 1.00 64.52 H new ATOM 0 HB2 PHE A 79 -4.256 7.065 1.531 1.00 14.31 H new ATOM 0 HB3 PHE A 79 -3.996 8.554 2.418 1.00 14.31 H new ATOM 0 HD1 PHE A 79 -1.780 8.395 4.016 1.00 21.11 H new ATOM 0 HD2 PHE A 79 -2.428 6.244 0.398 1.00 73.01 H new ATOM 0 HE1 PHE A 79 0.647 8.162 3.721 1.00 60.00 H new ATOM 0 HE2 PHE A 79 -0.002 6.008 0.104 1.00 40.33 H new ATOM 0 HZ PHE A 79 1.540 6.966 1.764 1.00 10.13 H new ATOM 1389 N ASP A 80 -6.688 7.077 3.228 1.00 74.11 N ATOM 1390 CA ASP A 80 -8.031 7.627 3.395 1.00 60.44 C ATOM 1391 C ASP A 80 -8.588 7.304 4.773 1.00 22.40 C ATOM 1392 O ASP A 80 -9.253 8.133 5.389 1.00 34.32 O ATOM 1393 CB ASP A 80 -8.971 7.084 2.315 1.00 30.20 C ATOM 1394 CG ASP A 80 -10.394 7.586 2.470 1.00 12.34 C ATOM 1395 OD1 ASP A 80 -10.623 8.803 2.314 1.00 34.24 O ATOM 1396 OD2 ASP A 80 -11.293 6.761 2.722 1.00 33.20 O ATOM 0 H ASP A 80 -6.609 6.386 2.481 1.00 74.11 H new ATOM 0 HA ASP A 80 -7.961 8.710 3.296 1.00 60.44 H new ATOM 0 HB2 ASP A 80 -8.594 7.371 1.333 1.00 30.20 H new ATOM 0 HB3 ASP A 80 -8.969 5.995 2.351 1.00 30.20 H new ATOM 1401 N ASP A 81 -8.309 6.099 5.248 1.00 1.22 N ATOM 1402 CA ASP A 81 -8.752 5.666 6.568 1.00 15.22 C ATOM 1403 C ASP A 81 -8.071 6.498 7.652 1.00 75.14 C ATOM 1404 O ASP A 81 -8.718 6.971 8.588 1.00 14.34 O ATOM 1405 CB ASP A 81 -8.438 4.184 6.771 1.00 22.25 C ATOM 1406 CG ASP A 81 -9.064 3.618 8.025 1.00 43.40 C ATOM 1407 OD1 ASP A 81 -8.421 3.665 9.091 1.00 21.42 O ATOM 1408 OD2 ASP A 81 -10.202 3.099 7.942 1.00 1.23 O ATOM 0 H ASP A 81 -7.774 5.398 4.736 1.00 1.22 H new ATOM 0 HA ASP A 81 -9.830 5.810 6.638 1.00 15.22 H new ATOM 0 HB2 ASP A 81 -8.792 3.621 5.908 1.00 22.25 H new ATOM 0 HB3 ASP A 81 -7.357 4.050 6.818 1.00 22.25 H new ATOM 1413 N ALA A 82 -6.760 6.685 7.503 1.00 33.52 N ATOM 1414 CA ALA A 82 -5.994 7.533 8.409 1.00 2.30 C ATOM 1415 C ALA A 82 -6.544 8.957 8.391 1.00 73.44 C ATOM 1416 O ALA A 82 -6.800 9.550 9.438 1.00 53.05 O ATOM 1417 CB ALA A 82 -4.524 7.530 8.020 1.00 74.44 C ATOM 0 H ALA A 82 -6.207 6.258 6.760 1.00 33.52 H new ATOM 0 HA ALA A 82 -6.086 7.136 9.420 1.00 2.30 H new ATOM 0 HB1 ALA A 82 -3.965 8.167 8.705 1.00 74.44 H new ATOM 0 HB2 ALA A 82 -4.136 6.513 8.072 1.00 74.44 H new ATOM 0 HB3 ALA A 82 -4.416 7.908 7.003 1.00 74.44 H new ATOM 1423 N ILE A 83 -6.739 9.489 7.188 1.00 11.34 N ATOM 1424 CA ILE A 83 -7.325 10.817 7.002 1.00 50.51 C ATOM 1425 C ILE A 83 -8.703 10.893 7.649 1.00 32.11 C ATOM 1426 O ILE A 83 -9.063 11.899 8.258 1.00 5.11 O ATOM 1427 CB ILE A 83 -7.466 11.154 5.498 1.00 14.22 C ATOM 1428 CG1 ILE A 83 -6.092 11.372 4.861 1.00 74.34 C ATOM 1429 CG2 ILE A 83 -8.359 12.374 5.287 1.00 1.02 C ATOM 1430 CD1 ILE A 83 -6.151 11.584 3.364 1.00 35.44 C ATOM 0 H ILE A 83 -6.497 9.016 6.317 1.00 11.34 H new ATOM 0 HA ILE A 83 -6.656 11.536 7.474 1.00 50.51 H new ATOM 0 HB ILE A 83 -7.941 10.304 5.008 1.00 14.22 H new ATOM 0 HG12 ILE A 83 -5.618 12.237 5.325 1.00 74.34 H new ATOM 0 HG13 ILE A 83 -5.460 10.510 5.074 1.00 74.34 H new ATOM 0 HG21 ILE A 83 -8.439 12.586 4.221 1.00 1.02 H new ATOM 0 HG22 ILE A 83 -9.351 12.174 5.693 1.00 1.02 H new ATOM 0 HG23 ILE A 83 -7.926 13.235 5.797 1.00 1.02 H new ATOM 0 HD11 ILE A 83 -5.143 11.732 2.978 1.00 35.44 H new ATOM 0 HD12 ILE A 83 -6.596 10.709 2.890 1.00 35.44 H new ATOM 0 HD13 ILE A 83 -6.757 12.463 3.145 1.00 35.44 H new ATOM 1442 N HIS A 84 -9.442 9.801 7.534 1.00 23.45 N ATOM 1443 CA HIS A 84 -10.831 9.742 7.961 1.00 32.54 C ATOM 1444 C HIS A 84 -10.983 10.078 9.440 1.00 2.34 C ATOM 1445 O HIS A 84 -11.934 10.751 9.835 1.00 33.14 O ATOM 1446 CB HIS A 84 -11.393 8.356 7.668 1.00 20.45 C ATOM 1447 CG HIS A 84 -12.881 8.299 7.685 1.00 11.43 C ATOM 1448 ND1 HIS A 84 -13.585 7.227 8.178 1.00 53.34 N ATOM 1449 CD2 HIS A 84 -13.799 9.186 7.243 1.00 51.43 C ATOM 1450 CE1 HIS A 84 -14.877 7.456 8.038 1.00 52.00 C ATOM 1451 NE2 HIS A 84 -15.034 8.641 7.473 1.00 55.21 N ATOM 0 H HIS A 84 -9.094 8.927 7.140 1.00 23.45 H new ATOM 0 HA HIS A 84 -11.393 10.490 7.402 1.00 32.54 H new ATOM 0 HB2 HIS A 84 -11.037 8.028 6.692 1.00 20.45 H new ATOM 0 HB3 HIS A 84 -11.003 7.652 8.403 1.00 20.45 H new ATOM 0 HD2 HIS A 84 -13.597 10.146 6.792 1.00 51.43 H new ATOM 0 HE1 HIS A 84 -15.672 6.788 8.335 1.00 52.00 H new ATOM 0 HE2 HIS A 84 -15.928 9.077 7.246 1.00 55.21 H new ATOM 1460 N GLU A 85 -10.055 9.605 10.257 1.00 31.23 N ATOM 1461 CA GLU A 85 -10.078 9.930 11.674 1.00 62.22 C ATOM 1462 C GLU A 85 -9.227 11.163 11.956 1.00 64.34 C ATOM 1463 O GLU A 85 -9.584 11.999 12.785 1.00 65.31 O ATOM 1464 CB GLU A 85 -9.592 8.745 12.510 1.00 75.23 C ATOM 1465 CG GLU A 85 -10.435 7.490 12.336 1.00 74.44 C ATOM 1466 CD GLU A 85 -10.044 6.389 13.300 1.00 10.51 C ATOM 1467 OE1 GLU A 85 -9.068 5.670 13.024 1.00 10.03 O ATOM 1468 OE2 GLU A 85 -10.707 6.248 14.348 1.00 32.25 O ATOM 0 H GLU A 85 -9.285 9.002 9.968 1.00 31.23 H new ATOM 0 HA GLU A 85 -11.108 10.149 11.955 1.00 62.22 H new ATOM 0 HB2 GLU A 85 -8.560 8.520 12.240 1.00 75.23 H new ATOM 0 HB3 GLU A 85 -9.592 9.029 13.562 1.00 75.23 H new ATOM 0 HG2 GLU A 85 -11.486 7.739 12.482 1.00 74.44 H new ATOM 0 HG3 GLU A 85 -10.332 7.126 11.314 1.00 74.44 H new ATOM 1475 N GLY A 86 -8.117 11.284 11.241 1.00 3.31 N ATOM 1476 CA GLY A 86 -7.212 12.400 11.450 1.00 24.02 C ATOM 1477 C GLY A 86 -5.812 11.939 11.799 1.00 71.23 C ATOM 1478 O GLY A 86 -5.021 12.691 12.365 1.00 23.11 O ATOM 0 H GLY A 86 -7.825 10.627 10.517 1.00 3.31 H new ATOM 0 HA2 GLY A 86 -7.178 13.012 10.549 1.00 24.02 H new ATOM 0 HA3 GLY A 86 -7.595 13.032 12.251 1.00 24.02 H new ATOM 1482 N TYR A 87 -5.506 10.699 11.450 1.00 4.32 N ATOM 1483 CA TYR A 87 -4.207 10.108 11.738 1.00 43.13 C ATOM 1484 C TYR A 87 -3.138 10.718 10.830 1.00 32.45 C ATOM 1485 O TYR A 87 -1.966 10.808 11.195 1.00 61.03 O ATOM 1486 CB TYR A 87 -4.294 8.594 11.542 1.00 21.43 C ATOM 1487 CG TYR A 87 -3.128 7.820 12.107 1.00 22.25 C ATOM 1488 CD1 TYR A 87 -2.978 7.649 13.478 1.00 2.22 C ATOM 1489 CD2 TYR A 87 -2.185 7.250 11.268 1.00 14.41 C ATOM 1490 CE1 TYR A 87 -1.916 6.932 13.994 1.00 15.11 C ATOM 1491 CE2 TYR A 87 -1.119 6.533 11.776 1.00 52.02 C ATOM 1492 CZ TYR A 87 -0.988 6.376 13.139 1.00 61.31 C ATOM 1493 OH TYR A 87 0.070 5.660 13.650 1.00 31.32 O ATOM 0 H TYR A 87 -6.148 10.075 10.961 1.00 4.32 H new ATOM 0 HA TYR A 87 -3.926 10.316 12.770 1.00 43.13 H new ATOM 0 HB2 TYR A 87 -5.212 8.233 12.006 1.00 21.43 H new ATOM 0 HB3 TYR A 87 -4.371 8.383 10.475 1.00 21.43 H new ATOM 0 HD1 TYR A 87 -3.703 8.083 14.150 1.00 2.22 H new ATOM 0 HD2 TYR A 87 -2.285 7.368 10.199 1.00 14.41 H new ATOM 0 HE1 TYR A 87 -1.813 6.808 15.062 1.00 15.11 H new ATOM 0 HE2 TYR A 87 -0.391 6.097 11.108 1.00 52.02 H new ATOM 0 HH TYR A 87 0.040 4.742 13.307 1.00 31.32 H new ATOM 1503 N VAL A 88 -3.562 11.147 9.650 1.00 53.23 N ATOM 1504 CA VAL A 88 -2.685 11.843 8.722 1.00 51.54 C ATOM 1505 C VAL A 88 -3.449 12.997 8.076 1.00 32.03 C ATOM 1506 O VAL A 88 -4.679 12.970 8.008 1.00 55.01 O ATOM 1507 CB VAL A 88 -2.118 10.895 7.636 1.00 32.13 C ATOM 1508 CG1 VAL A 88 -3.199 10.451 6.664 1.00 4.51 C ATOM 1509 CG2 VAL A 88 -0.959 11.550 6.896 1.00 64.11 C ATOM 0 H VAL A 88 -4.516 11.023 9.311 1.00 53.23 H new ATOM 0 HA VAL A 88 -1.834 12.230 9.283 1.00 51.54 H new ATOM 0 HB VAL A 88 -1.742 10.004 8.140 1.00 32.13 H new ATOM 0 HG11 VAL A 88 -2.765 9.787 5.916 1.00 4.51 H new ATOM 0 HG12 VAL A 88 -3.982 9.923 7.208 1.00 4.51 H new ATOM 0 HG13 VAL A 88 -3.625 11.324 6.170 1.00 4.51 H new ATOM 0 HG21 VAL A 88 -0.577 10.865 6.139 1.00 64.11 H new ATOM 0 HG22 VAL A 88 -1.305 12.466 6.416 1.00 64.11 H new ATOM 0 HG23 VAL A 88 -0.164 11.788 7.603 1.00 64.11 H new ATOM 1519 N ILE A 89 -2.724 14.011 7.627 1.00 15.22 N ATOM 1520 CA ILE A 89 -3.347 15.205 7.072 1.00 3.41 C ATOM 1521 C ILE A 89 -3.881 14.965 5.653 1.00 74.14 C ATOM 1522 O ILE A 89 -4.983 15.400 5.321 1.00 23.03 O ATOM 1523 CB ILE A 89 -2.368 16.406 7.084 1.00 51.10 C ATOM 1524 CG1 ILE A 89 -3.036 17.661 6.509 1.00 55.13 C ATOM 1525 CG2 ILE A 89 -1.092 16.080 6.322 1.00 21.11 C ATOM 1526 CD1 ILE A 89 -4.222 18.143 7.316 1.00 63.22 C ATOM 0 H ILE A 89 -1.704 14.032 7.636 1.00 15.22 H new ATOM 0 HA ILE A 89 -4.197 15.445 7.711 1.00 3.41 H new ATOM 0 HB ILE A 89 -2.099 16.607 8.121 1.00 51.10 H new ATOM 0 HG12 ILE A 89 -2.298 18.461 6.452 1.00 55.13 H new ATOM 0 HG13 ILE A 89 -3.362 17.454 5.490 1.00 55.13 H new ATOM 0 HG21 ILE A 89 -0.423 16.941 6.347 1.00 21.11 H new ATOM 0 HG22 ILE A 89 -0.600 15.225 6.785 1.00 21.11 H new ATOM 0 HG23 ILE A 89 -1.337 15.841 5.287 1.00 21.11 H new ATOM 0 HD11 ILE A 89 -4.642 19.034 6.849 1.00 63.22 H new ATOM 0 HD12 ILE A 89 -4.980 17.360 7.352 1.00 63.22 H new ATOM 0 HD13 ILE A 89 -3.899 18.383 8.329 1.00 63.22 H new ATOM 1538 N LYS A 90 -3.112 14.265 4.822 1.00 61.04 N ATOM 1539 CA LYS A 90 -3.519 14.005 3.446 1.00 24.21 C ATOM 1540 C LYS A 90 -2.737 12.843 2.851 1.00 43.33 C ATOM 1541 O LYS A 90 -1.918 12.223 3.526 1.00 31.10 O ATOM 1542 CB LYS A 90 -3.340 15.249 2.570 1.00 4.44 C ATOM 1543 CG LYS A 90 -1.937 15.836 2.600 1.00 32.42 C ATOM 1544 CD LYS A 90 -1.747 16.855 1.490 1.00 73.23 C ATOM 1545 CE LYS A 90 -0.470 17.659 1.666 1.00 65.32 C ATOM 1546 NZ LYS A 90 -0.563 18.606 2.805 1.00 61.33 N ATOM 0 H LYS A 90 -2.207 13.870 5.077 1.00 61.04 H new ATOM 0 HA LYS A 90 -4.576 13.741 3.468 1.00 24.21 H new ATOM 0 HB2 LYS A 90 -3.593 14.994 1.541 1.00 4.44 H new ATOM 0 HB3 LYS A 90 -4.048 16.012 2.893 1.00 4.44 H new ATOM 0 HG2 LYS A 90 -1.758 16.308 3.566 1.00 32.42 H new ATOM 0 HG3 LYS A 90 -1.203 15.037 2.494 1.00 32.42 H new ATOM 0 HD2 LYS A 90 -1.723 16.343 0.528 1.00 73.23 H new ATOM 0 HD3 LYS A 90 -2.601 17.532 1.469 1.00 73.23 H new ATOM 0 HE2 LYS A 90 0.367 16.980 1.827 1.00 65.32 H new ATOM 0 HE3 LYS A 90 -0.261 18.212 0.750 1.00 65.32 H new ATOM 0 HZ1 LYS A 90 0.226 19.282 2.760 1.00 61.33 H new ATOM 0 HZ2 LYS A 90 -1.464 19.122 2.755 1.00 61.33 H new ATOM 0 HZ3 LYS A 90 -0.516 18.078 3.700 1.00 61.33 H new ATOM 1560 N ASN A 91 -2.994 12.564 1.578 1.00 2.35 N ATOM 1561 CA ASN A 91 -2.352 11.455 0.886 1.00 4.42 C ATOM 1562 C ASN A 91 -1.504 11.946 -0.287 1.00 32.41 C ATOM 1563 O ASN A 91 -1.816 12.959 -0.913 1.00 54.24 O ATOM 1564 CB ASN A 91 -3.399 10.438 0.400 1.00 22.42 C ATOM 1565 CG ASN A 91 -4.563 11.059 -0.366 1.00 3.34 C ATOM 1566 OD1 ASN A 91 -4.439 12.115 -0.993 1.00 13.14 O ATOM 1567 ND2 ASN A 91 -5.710 10.401 -0.314 1.00 45.21 N ATOM 0 H ASN A 91 -3.647 13.095 1.002 1.00 2.35 H new ATOM 0 HA ASN A 91 -1.689 10.962 1.597 1.00 4.42 H new ATOM 0 HB2 ASN A 91 -2.908 9.704 -0.239 1.00 22.42 H new ATOM 0 HB3 ASN A 91 -3.792 9.898 1.261 1.00 22.42 H new ATOM 0 HD21 ASN A 91 -6.529 10.764 -0.802 1.00 45.21 H new ATOM 0 HD22 ASN A 91 -5.775 9.531 0.214 1.00 45.21 H new ATOM 1574 N PRO A 92 -0.399 11.244 -0.577 1.00 74.52 N ATOM 1575 CA PRO A 92 0.470 11.554 -1.712 1.00 23.22 C ATOM 1576 C PRO A 92 0.027 10.864 -2.997 1.00 44.35 C ATOM 1577 O PRO A 92 0.774 10.802 -3.964 1.00 35.34 O ATOM 1578 CB PRO A 92 1.809 10.992 -1.260 1.00 3.42 C ATOM 1579 CG PRO A 92 1.448 9.800 -0.443 1.00 23.11 C ATOM 1580 CD PRO A 92 0.122 10.110 0.207 1.00 62.21 C ATOM 0 HA PRO A 92 0.474 12.618 -1.949 1.00 23.22 H new ATOM 0 HB2 PRO A 92 2.433 10.718 -2.110 1.00 3.42 H new ATOM 0 HB3 PRO A 92 2.370 11.721 -0.675 1.00 3.42 H new ATOM 0 HG2 PRO A 92 1.375 8.910 -1.068 1.00 23.11 H new ATOM 0 HG3 PRO A 92 2.211 9.600 0.309 1.00 23.11 H new ATOM 0 HD2 PRO A 92 -0.552 9.254 0.168 1.00 62.21 H new ATOM 0 HD3 PRO A 92 0.244 10.373 1.258 1.00 62.21 H new ATOM 1588 N THR A 93 -1.191 10.354 -3.009 1.00 4.51 N ATOM 1589 CA THR A 93 -1.699 9.636 -4.166 1.00 64.23 C ATOM 1590 C THR A 93 -2.301 10.590 -5.195 1.00 31.11 C ATOM 1591 O THR A 93 -3.165 10.205 -5.982 1.00 35.02 O ATOM 1592 CB THR A 93 -2.744 8.594 -3.736 1.00 51.21 C ATOM 1593 OG1 THR A 93 -3.695 9.190 -2.842 1.00 70.25 O ATOM 1594 CG2 THR A 93 -2.074 7.414 -3.050 1.00 40.24 C ATOM 0 H THR A 93 -1.847 10.423 -2.231 1.00 4.51 H new ATOM 0 HA THR A 93 -0.858 9.124 -4.633 1.00 64.23 H new ATOM 0 HB THR A 93 -3.258 8.238 -4.629 1.00 51.21 H new ATOM 0 HG1 THR A 93 -4.152 9.929 -3.295 1.00 70.25 H new ATOM 0 HG21 THR A 93 -2.831 6.688 -2.753 1.00 40.24 H new ATOM 0 HG22 THR A 93 -1.371 6.945 -3.738 1.00 40.24 H new ATOM 0 HG23 THR A 93 -1.539 7.762 -2.166 1.00 40.24 H new ATOM 1602 N TYR A 94 -1.816 11.828 -5.191 1.00 42.30 N ATOM 1603 CA TYR A 94 -2.282 12.850 -6.120 1.00 34.22 C ATOM 1604 C TYR A 94 -1.948 12.450 -7.554 1.00 52.23 C ATOM 1605 O TYR A 94 -2.762 12.607 -8.465 1.00 12.04 O ATOM 1606 CB TYR A 94 -1.634 14.196 -5.779 1.00 13.53 C ATOM 1607 CG TYR A 94 -2.110 15.346 -6.640 1.00 35.11 C ATOM 1608 CD1 TYR A 94 -3.287 16.019 -6.343 1.00 43.31 C ATOM 1609 CD2 TYR A 94 -1.384 15.757 -7.750 1.00 73.22 C ATOM 1610 CE1 TYR A 94 -3.727 17.067 -7.127 1.00 2.30 C ATOM 1611 CE2 TYR A 94 -1.817 16.803 -8.540 1.00 63.22 C ATOM 1612 CZ TYR A 94 -2.989 17.455 -8.225 1.00 54.35 C ATOM 1613 OH TYR A 94 -3.424 18.499 -9.010 1.00 21.30 O ATOM 0 H TYR A 94 -1.093 12.149 -4.547 1.00 42.30 H new ATOM 0 HA TYR A 94 -3.364 12.946 -6.030 1.00 34.22 H new ATOM 0 HB2 TYR A 94 -1.837 14.430 -4.734 1.00 13.53 H new ATOM 0 HB3 TYR A 94 -0.553 14.103 -5.881 1.00 13.53 H new ATOM 0 HD1 TYR A 94 -3.869 15.718 -5.484 1.00 43.31 H new ATOM 0 HD2 TYR A 94 -0.464 15.249 -8.000 1.00 73.22 H new ATOM 0 HE1 TYR A 94 -4.645 17.580 -6.881 1.00 2.30 H new ATOM 0 HE2 TYR A 94 -1.240 17.109 -9.400 1.00 63.22 H new ATOM 0 HH TYR A 94 -2.789 18.645 -9.742 1.00 21.30 H new ATOM 1623 N LYS A 95 -0.744 11.935 -7.748 1.00 60.31 N ATOM 1624 CA LYS A 95 -0.336 11.421 -9.042 1.00 52.33 C ATOM 1625 C LYS A 95 -0.056 9.933 -8.941 1.00 13.22 C ATOM 1626 O LYS A 95 0.926 9.514 -8.330 1.00 74.02 O ATOM 1627 CB LYS A 95 0.893 12.165 -9.580 1.00 70.13 C ATOM 1628 CG LYS A 95 0.596 13.585 -10.043 1.00 54.32 C ATOM 1629 CD LYS A 95 -0.591 13.617 -10.995 1.00 71.43 C ATOM 1630 CE LYS A 95 -0.834 15.010 -11.554 1.00 45.31 C ATOM 1631 NZ LYS A 95 0.168 15.377 -12.590 1.00 2.12 N ATOM 0 H LYS A 95 -0.031 11.863 -7.022 1.00 60.31 H new ATOM 0 HA LYS A 95 -1.152 11.585 -9.746 1.00 52.33 H new ATOM 0 HB2 LYS A 95 1.656 12.198 -8.802 1.00 70.13 H new ATOM 0 HB3 LYS A 95 1.312 11.601 -10.413 1.00 70.13 H new ATOM 0 HG2 LYS A 95 0.389 14.216 -9.179 1.00 54.32 H new ATOM 0 HG3 LYS A 95 1.474 14.000 -10.538 1.00 54.32 H new ATOM 0 HD2 LYS A 95 -0.416 12.922 -11.816 1.00 71.43 H new ATOM 0 HD3 LYS A 95 -1.484 13.275 -10.473 1.00 71.43 H new ATOM 0 HE2 LYS A 95 -1.834 15.059 -11.984 1.00 45.31 H new ATOM 0 HE3 LYS A 95 -0.800 15.737 -10.743 1.00 45.31 H new ATOM 0 HZ1 LYS A 95 -0.034 16.334 -12.945 1.00 2.12 H new ATOM 0 HZ2 LYS A 95 1.121 15.356 -12.174 1.00 2.12 H new ATOM 0 HZ3 LYS A 95 0.118 14.699 -13.377 1.00 2.12 H new ATOM 1645 N ALA A 96 -0.945 9.144 -9.515 1.00 22.31 N ATOM 1646 CA ALA A 96 -0.813 7.700 -9.499 1.00 32.41 C ATOM 1647 C ALA A 96 -1.271 7.126 -10.830 1.00 33.52 C ATOM 1648 O ALA A 96 -2.401 6.655 -10.964 1.00 42.01 O ATOM 1649 CB ALA A 96 -1.614 7.104 -8.348 1.00 41.32 C ATOM 0 H ALA A 96 -1.774 9.484 -10.003 1.00 22.31 H new ATOM 0 HA ALA A 96 0.235 7.441 -9.349 1.00 32.41 H new ATOM 0 HB1 ALA A 96 -1.504 6.020 -8.351 1.00 41.32 H new ATOM 0 HB2 ALA A 96 -1.246 7.504 -7.403 1.00 41.32 H new ATOM 0 HB3 ALA A 96 -2.667 7.362 -8.465 1.00 41.32 H new ATOM 1655 N GLU A 97 -0.404 7.203 -11.824 1.00 31.11 N ATOM 1656 CA GLU A 97 -0.750 6.756 -13.162 1.00 2.32 C ATOM 1657 C GLU A 97 -0.498 5.263 -13.301 1.00 53.11 C ATOM 1658 O GLU A 97 0.649 4.814 -13.352 1.00 14.35 O ATOM 1659 CB GLU A 97 0.040 7.536 -14.211 1.00 72.43 C ATOM 1660 CG GLU A 97 -0.144 9.040 -14.106 1.00 4.52 C ATOM 1661 CD GLU A 97 0.443 9.781 -15.285 1.00 53.42 C ATOM 1662 OE1 GLU A 97 1.671 9.719 -15.481 1.00 30.41 O ATOM 1663 OE2 GLU A 97 -0.323 10.434 -16.019 1.00 62.44 O ATOM 0 H GLU A 97 0.543 7.570 -11.731 1.00 31.11 H new ATOM 0 HA GLU A 97 -1.811 6.944 -13.327 1.00 2.32 H new ATOM 0 HB2 GLU A 97 1.099 7.299 -14.109 1.00 72.43 H new ATOM 0 HB3 GLU A 97 -0.266 7.208 -15.204 1.00 72.43 H new ATOM 0 HG2 GLU A 97 -1.207 9.268 -14.031 1.00 4.52 H new ATOM 0 HG3 GLU A 97 0.324 9.396 -13.188 1.00 4.52 H new ATOM 1670 N LEU A 98 -1.581 4.505 -13.356 1.00 22.31 N ATOM 1671 CA LEU A 98 -1.505 3.055 -13.403 1.00 43.21 C ATOM 1672 C LEU A 98 -1.112 2.577 -14.797 1.00 74.04 C ATOM 1673 O LEU A 98 -1.962 2.358 -15.661 1.00 44.25 O ATOM 1674 CB LEU A 98 -2.850 2.457 -12.982 1.00 31.32 C ATOM 1675 CG LEU A 98 -3.350 2.912 -11.609 1.00 64.30 C ATOM 1676 CD1 LEU A 98 -4.765 2.420 -11.358 1.00 53.21 C ATOM 1677 CD2 LEU A 98 -2.415 2.423 -10.515 1.00 65.01 C ATOM 0 H LEU A 98 -2.531 4.875 -13.369 1.00 22.31 H new ATOM 0 HA LEU A 98 -0.735 2.719 -12.709 1.00 43.21 H new ATOM 0 HB2 LEU A 98 -3.598 2.717 -13.731 1.00 31.32 H new ATOM 0 HB3 LEU A 98 -2.765 1.370 -12.981 1.00 31.32 H new ATOM 0 HG LEU A 98 -3.362 4.002 -11.595 1.00 64.30 H new ATOM 0 HD11 LEU A 98 -5.098 2.756 -10.376 1.00 53.21 H new ATOM 0 HD12 LEU A 98 -5.430 2.820 -12.123 1.00 53.21 H new ATOM 0 HD13 LEU A 98 -4.783 1.331 -11.394 1.00 53.21 H new ATOM 0 HD21 LEU A 98 -2.785 2.755 -9.545 1.00 65.01 H new ATOM 0 HD22 LEU A 98 -2.372 1.334 -10.533 1.00 65.01 H new ATOM 0 HD23 LEU A 98 -1.417 2.829 -10.681 1.00 65.01 H new ATOM 1689 N HIS A 99 0.185 2.452 -15.019 1.00 71.04 N ATOM 1690 CA HIS A 99 0.700 1.975 -16.292 1.00 61.31 C ATOM 1691 C HIS A 99 1.488 0.692 -16.097 1.00 14.53 C ATOM 1692 O HIS A 99 2.576 0.702 -15.523 1.00 34.22 O ATOM 1693 CB HIS A 99 1.582 3.035 -16.957 1.00 54.00 C ATOM 1694 CG HIS A 99 0.831 4.244 -17.428 1.00 41.12 C ATOM 1695 ND1 HIS A 99 1.147 5.527 -17.039 1.00 35.21 N ATOM 1696 CD2 HIS A 99 -0.216 4.360 -18.277 1.00 43.10 C ATOM 1697 CE1 HIS A 99 0.329 6.377 -17.629 1.00 4.22 C ATOM 1698 NE2 HIS A 99 -0.508 5.694 -18.386 1.00 13.21 N ATOM 0 H HIS A 99 0.904 2.675 -14.331 1.00 71.04 H new ATOM 0 HA HIS A 99 -0.149 1.774 -16.945 1.00 61.31 H new ATOM 0 HB2 HIS A 99 2.350 3.349 -16.250 1.00 54.00 H new ATOM 0 HB3 HIS A 99 2.095 2.585 -17.807 1.00 54.00 H new ATOM 0 HD2 HIS A 99 -0.727 3.550 -18.777 1.00 43.10 H new ATOM 0 HE1 HIS A 99 0.342 7.451 -17.512 1.00 4.22 H new ATOM 0 HE2 HIS A 99 -1.251 6.094 -18.959 1.00 13.21 H new ATOM 1707 N ALA A 100 0.925 -0.409 -16.559 1.00 43.54 N ATOM 1708 CA ALA A 100 1.598 -1.692 -16.488 1.00 55.33 C ATOM 1709 C ALA A 100 2.436 -1.907 -17.739 1.00 62.10 C ATOM 1710 O ALA A 100 1.917 -2.295 -18.787 1.00 51.15 O ATOM 1711 CB ALA A 100 0.590 -2.820 -16.316 1.00 61.53 C ATOM 0 H ALA A 100 0.000 -0.440 -16.989 1.00 43.54 H new ATOM 0 HA ALA A 100 2.257 -1.695 -15.619 1.00 55.33 H new ATOM 0 HB1 ALA A 100 1.116 -3.773 -16.265 1.00 61.53 H new ATOM 0 HB2 ALA A 100 0.026 -2.667 -15.396 1.00 61.53 H new ATOM 0 HB3 ALA A 100 -0.095 -2.828 -17.164 1.00 61.53 H new ATOM 1717 N SER A 101 3.724 -1.619 -17.638 1.00 55.32 N ATOM 1718 CA SER A 101 4.631 -1.770 -18.763 1.00 54.24 C ATOM 1719 C SER A 101 5.248 -3.167 -18.750 1.00 34.03 C ATOM 1720 O SER A 101 6.351 -3.379 -18.240 1.00 53.01 O ATOM 1721 CB SER A 101 5.713 -0.684 -18.727 1.00 40.24 C ATOM 1722 OG SER A 101 6.552 -0.746 -19.871 1.00 75.51 O ATOM 0 H SER A 101 4.166 -1.278 -16.784 1.00 55.32 H new ATOM 0 HA SER A 101 4.072 -1.652 -19.691 1.00 54.24 H new ATOM 0 HB2 SER A 101 5.243 0.298 -18.672 1.00 40.24 H new ATOM 0 HB3 SER A 101 6.316 -0.799 -17.826 1.00 40.24 H new ATOM 0 HG SER A 101 7.230 -0.040 -19.818 1.00 75.51 H new ATOM 1728 N VAL A 102 4.501 -4.123 -19.285 1.00 31.43 N ATOM 1729 CA VAL A 102 4.917 -5.519 -19.315 1.00 61.11 C ATOM 1730 C VAL A 102 4.499 -6.152 -20.637 1.00 74.20 C ATOM 1731 O VAL A 102 5.213 -6.984 -21.203 1.00 43.21 O ATOM 1732 CB VAL A 102 4.281 -6.341 -18.163 1.00 33.04 C ATOM 1733 CG1 VAL A 102 4.809 -7.767 -18.155 1.00 45.44 C ATOM 1734 CG2 VAL A 102 4.520 -5.689 -16.812 1.00 63.44 C ATOM 0 H VAL A 102 3.590 -3.953 -19.710 1.00 31.43 H new ATOM 0 HA VAL A 102 6.001 -5.534 -19.198 1.00 61.11 H new ATOM 0 HB VAL A 102 3.206 -6.366 -18.342 1.00 33.04 H new ATOM 0 HG11 VAL A 102 4.347 -8.321 -17.338 1.00 45.44 H new ATOM 0 HG12 VAL A 102 4.568 -8.249 -19.102 1.00 45.44 H new ATOM 0 HG13 VAL A 102 5.890 -7.754 -18.019 1.00 45.44 H new ATOM 0 HG21 VAL A 102 4.060 -6.293 -16.030 1.00 63.44 H new ATOM 0 HG22 VAL A 102 5.592 -5.613 -16.629 1.00 63.44 H new ATOM 0 HG23 VAL A 102 4.080 -4.692 -16.806 1.00 63.44 H new ATOM 1744 N LEU A 103 3.342 -5.738 -21.130 1.00 31.35 N ATOM 1745 CA LEU A 103 2.758 -6.332 -22.320 1.00 0.41 C ATOM 1746 C LEU A 103 3.009 -5.475 -23.550 1.00 72.03 C ATOM 1747 O LEU A 103 2.464 -4.378 -23.677 1.00 2.33 O ATOM 1748 CB LEU A 103 1.249 -6.515 -22.138 1.00 54.11 C ATOM 1749 CG LEU A 103 0.833 -7.502 -21.049 1.00 51.34 C ATOM 1750 CD1 LEU A 103 -0.682 -7.529 -20.914 1.00 63.04 C ATOM 1751 CD2 LEU A 103 1.368 -8.890 -21.363 1.00 33.53 C ATOM 0 H LEU A 103 2.786 -4.987 -20.720 1.00 31.35 H new ATOM 0 HA LEU A 103 3.234 -7.302 -22.466 1.00 0.41 H new ATOM 0 HB2 LEU A 103 0.808 -5.544 -21.912 1.00 54.11 H new ATOM 0 HB3 LEU A 103 0.824 -6.846 -23.086 1.00 54.11 H new ATOM 0 HG LEU A 103 1.258 -7.177 -20.099 1.00 51.34 H new ATOM 0 HD11 LEU A 103 -0.965 -8.236 -20.135 1.00 63.04 H new ATOM 0 HD12 LEU A 103 -1.042 -6.535 -20.650 1.00 63.04 H new ATOM 0 HD13 LEU A 103 -1.126 -7.835 -21.861 1.00 63.04 H new ATOM 0 HD21 LEU A 103 1.064 -9.583 -20.579 1.00 33.53 H new ATOM 0 HD22 LEU A 103 0.968 -9.226 -22.320 1.00 33.53 H new ATOM 0 HD23 LEU A 103 2.456 -8.857 -21.416 1.00 33.53 H new ATOM 1763 N GLU A 104 3.833 -5.977 -24.447 1.00 22.34 N ATOM 1764 CA GLU A 104 4.017 -5.343 -25.737 1.00 55.20 C ATOM 1765 C GLU A 104 3.647 -6.325 -26.837 1.00 15.12 C ATOM 1766 O GLU A 104 3.883 -7.528 -26.712 1.00 51.45 O ATOM 1767 CB GLU A 104 5.455 -4.854 -25.925 1.00 72.24 C ATOM 1768 CG GLU A 104 6.501 -5.947 -25.816 1.00 73.43 C ATOM 1769 CD GLU A 104 7.795 -5.564 -26.496 1.00 23.31 C ATOM 1770 OE1 GLU A 104 8.189 -4.385 -26.421 1.00 74.21 O ATOM 1771 OE2 GLU A 104 8.415 -6.437 -27.132 1.00 64.10 O ATOM 0 H GLU A 104 4.386 -6.822 -24.307 1.00 22.34 H new ATOM 0 HA GLU A 104 3.366 -4.470 -25.787 1.00 55.20 H new ATOM 0 HB2 GLU A 104 5.541 -4.380 -26.903 1.00 72.24 H new ATOM 0 HB3 GLU A 104 5.667 -4.088 -25.179 1.00 72.24 H new ATOM 0 HG2 GLU A 104 6.694 -6.160 -24.765 1.00 73.43 H new ATOM 0 HG3 GLU A 104 6.115 -6.864 -26.262 1.00 73.43 H new ATOM 1778 N HIS A 105 3.051 -5.817 -27.899 1.00 30.34 N ATOM 1779 CA HIS A 105 2.643 -6.657 -29.013 1.00 3.44 C ATOM 1780 C HIS A 105 3.266 -6.159 -30.308 1.00 24.21 C ATOM 1781 O HIS A 105 3.166 -4.981 -30.646 1.00 15.22 O ATOM 1782 CB HIS A 105 1.109 -6.726 -29.129 1.00 21.24 C ATOM 1783 CG HIS A 105 0.419 -5.395 -29.123 1.00 65.32 C ATOM 1784 ND1 HIS A 105 -0.002 -4.778 -27.967 1.00 52.32 N ATOM 1785 CD2 HIS A 105 0.066 -4.570 -30.136 1.00 13.23 C ATOM 1786 CE1 HIS A 105 -0.580 -3.632 -28.266 1.00 64.01 C ATOM 1787 NE2 HIS A 105 -0.553 -3.479 -29.576 1.00 51.22 N ATOM 0 H HIS A 105 2.838 -4.826 -28.015 1.00 30.34 H new ATOM 0 HA HIS A 105 3.003 -7.669 -28.824 1.00 3.44 H new ATOM 0 HB2 HIS A 105 0.851 -7.249 -30.050 1.00 21.24 H new ATOM 0 HB3 HIS A 105 0.722 -7.324 -28.304 1.00 21.24 H new ATOM 0 HD2 HIS A 105 0.239 -4.738 -31.189 1.00 13.23 H new ATOM 0 HE1 HIS A 105 -1.004 -2.936 -27.558 1.00 64.01 H new ATOM 0 HE2 HIS A 105 -0.930 -2.682 -30.089 1.00 51.22 H new ATOM 1796 N HIS A 106 3.924 -7.062 -31.013 1.00 72.03 N ATOM 1797 CA HIS A 106 4.601 -6.727 -32.255 1.00 11.21 C ATOM 1798 C HIS A 106 3.636 -6.908 -33.416 1.00 73.01 C ATOM 1799 O HIS A 106 3.359 -8.036 -33.827 1.00 12.01 O ATOM 1800 CB HIS A 106 5.835 -7.622 -32.456 1.00 52.11 C ATOM 1801 CG HIS A 106 6.692 -7.756 -31.232 1.00 31.34 C ATOM 1802 ND1 HIS A 106 6.902 -8.958 -30.592 1.00 71.20 N ATOM 1803 CD2 HIS A 106 7.385 -6.833 -30.528 1.00 33.34 C ATOM 1804 CE1 HIS A 106 7.679 -8.765 -29.543 1.00 33.20 C ATOM 1805 NE2 HIS A 106 7.988 -7.484 -29.479 1.00 25.44 N ATOM 0 H HIS A 106 4.005 -8.043 -30.744 1.00 72.03 H new ATOM 0 HA HIS A 106 4.933 -5.690 -32.211 1.00 11.21 H new ATOM 0 HB2 HIS A 106 5.506 -8.613 -32.768 1.00 52.11 H new ATOM 0 HB3 HIS A 106 6.438 -7.216 -33.268 1.00 52.11 H new ATOM 0 HD2 HIS A 106 7.452 -5.778 -30.749 1.00 33.34 H new ATOM 0 HE1 HIS A 106 8.007 -9.528 -28.853 1.00 33.20 H new ATOM 0 HE2 HIS A 106 8.577 -7.049 -28.769 1.00 25.44 H new ATOM 1814 N HIS A 107 3.104 -5.810 -33.928 1.00 73.33 N ATOM 1815 CA HIS A 107 2.109 -5.886 -34.986 1.00 53.33 C ATOM 1816 C HIS A 107 2.754 -5.608 -36.336 1.00 21.42 C ATOM 1817 O HIS A 107 3.660 -4.781 -36.438 1.00 64.14 O ATOM 1818 CB HIS A 107 0.938 -4.910 -34.730 1.00 5.31 C ATOM 1819 CG HIS A 107 1.182 -3.478 -35.144 1.00 51.03 C ATOM 1820 ND1 HIS A 107 1.617 -2.500 -34.278 1.00 11.02 N ATOM 1821 CD2 HIS A 107 1.019 -2.862 -36.344 1.00 14.51 C ATOM 1822 CE1 HIS A 107 1.712 -1.350 -34.924 1.00 63.04 C ATOM 1823 NE2 HIS A 107 1.355 -1.543 -36.178 1.00 4.21 N ATOM 0 H HIS A 107 3.341 -4.863 -33.632 1.00 73.33 H new ATOM 0 HA HIS A 107 1.700 -6.896 -34.993 1.00 53.33 H new ATOM 0 HB2 HIS A 107 0.059 -5.278 -35.259 1.00 5.31 H new ATOM 0 HB3 HIS A 107 0.700 -4.927 -33.666 1.00 5.31 H new ATOM 0 HD1 HIS A 107 1.833 -2.641 -33.291 1.00 11.02 H new ATOM 0 HD2 HIS A 107 0.686 -3.326 -37.261 1.00 14.51 H new ATOM 0 HE1 HIS A 107 2.029 -0.410 -34.496 1.00 63.04 H new ATOM 1832 N HIS A 108 2.296 -6.309 -37.358 1.00 33.04 N ATOM 1833 CA HIS A 108 2.736 -6.046 -38.717 1.00 73.00 C ATOM 1834 C HIS A 108 1.958 -4.864 -39.271 1.00 51.31 C ATOM 1835 O HIS A 108 0.728 -4.901 -39.354 1.00 34.03 O ATOM 1836 CB HIS A 108 2.542 -7.277 -39.607 1.00 71.20 C ATOM 1837 CG HIS A 108 3.487 -8.398 -39.302 1.00 61.42 C ATOM 1838 ND1 HIS A 108 4.709 -8.536 -39.918 1.00 50.31 N ATOM 1839 CD2 HIS A 108 3.384 -9.437 -38.440 1.00 2.43 C ATOM 1840 CE1 HIS A 108 5.318 -9.608 -39.453 1.00 64.44 C ATOM 1841 NE2 HIS A 108 4.537 -10.176 -38.553 1.00 12.15 N ATOM 0 H HIS A 108 1.618 -7.066 -37.272 1.00 33.04 H new ATOM 0 HA HIS A 108 3.800 -5.812 -38.706 1.00 73.00 H new ATOM 0 HB2 HIS A 108 1.519 -7.636 -39.496 1.00 71.20 H new ATOM 0 HB3 HIS A 108 2.666 -6.983 -40.649 1.00 71.20 H new ATOM 0 HD2 HIS A 108 2.551 -9.646 -37.785 1.00 2.43 H new ATOM 0 HE1 HIS A 108 6.292 -9.962 -39.757 1.00 64.44 H new ATOM 0 HE2 HIS A 108 4.754 -11.023 -38.028 1.00 12.15 H new ATOM 1850 N HIS A 109 2.667 -3.803 -39.613 1.00 61.21 N ATOM 1851 CA HIS A 109 2.024 -2.589 -40.085 1.00 33.14 C ATOM 1852 C HIS A 109 1.945 -2.558 -41.604 1.00 24.05 C ATOM 1853 O HIS A 109 2.824 -3.070 -42.297 1.00 21.45 O ATOM 1854 CB HIS A 109 2.745 -1.335 -39.560 1.00 20.32 C ATOM 1855 CG HIS A 109 4.165 -1.180 -40.021 1.00 61.31 C ATOM 1856 ND1 HIS A 109 5.242 -1.348 -39.187 1.00 63.23 N ATOM 1857 CD2 HIS A 109 4.680 -0.845 -41.229 1.00 54.22 C ATOM 1858 CE1 HIS A 109 6.357 -1.128 -39.856 1.00 24.33 C ATOM 1859 NE2 HIS A 109 6.046 -0.821 -41.101 1.00 35.12 N ATOM 0 H HIS A 109 3.685 -3.757 -39.573 1.00 61.21 H new ATOM 0 HA HIS A 109 1.007 -2.588 -39.692 1.00 33.14 H new ATOM 0 HB2 HIS A 109 2.181 -0.454 -39.867 1.00 20.32 H new ATOM 0 HB3 HIS A 109 2.733 -1.357 -38.470 1.00 20.32 H new ATOM 0 HD2 HIS A 109 4.118 -0.635 -42.127 1.00 54.22 H new ATOM 0 HE1 HIS A 109 7.357 -1.189 -39.453 1.00 24.33 H new ATOM 0 HE2 HIS A 109 6.710 -0.602 -41.844 1.00 35.12 H new ATOM 1868 N HIS A 110 0.869 -1.979 -42.104 1.00 55.24 N ATOM 1869 CA HIS A 110 0.731 -1.699 -43.522 1.00 61.42 C ATOM 1870 C HIS A 110 -0.142 -0.465 -43.708 1.00 31.54 C ATOM 1871 O HIS A 110 -1.357 -0.604 -43.925 1.00 38.26 O ATOM 1872 CB HIS A 110 0.190 -2.915 -44.305 1.00 12.42 C ATOM 1873 CG HIS A 110 -1.060 -3.550 -43.757 1.00 24.51 C ATOM 1874 ND1 HIS A 110 -1.042 -4.624 -42.891 1.00 32.02 N ATOM 1875 CD2 HIS A 110 -2.366 -3.283 -43.986 1.00 71.53 C ATOM 1876 CE1 HIS A 110 -2.281 -4.987 -42.617 1.00 30.55 C ATOM 1877 NE2 HIS A 110 -3.103 -4.190 -43.270 1.00 22.44 N ATOM 1878 OXT HIS A 110 0.391 0.653 -43.558 1.00 38.26 O ATOM 0 H HIS A 110 0.069 -1.690 -41.541 1.00 55.24 H new ATOM 0 HA HIS A 110 1.719 -1.496 -43.936 1.00 61.42 H new ATOM 0 HB2 HIS A 110 -0.004 -2.604 -45.331 1.00 12.42 H new ATOM 0 HB3 HIS A 110 0.972 -3.674 -44.345 1.00 12.42 H new ATOM 0 HD2 HIS A 110 -2.757 -2.499 -44.617 1.00 71.53 H new ATOM 0 HE1 HIS A 110 -2.572 -5.799 -41.968 1.00 30.55 H new ATOM 0 HE2 HIS A 110 -4.121 -4.240 -43.246 1.00 22.44 H new TER 1887 HIS A 110