USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD Set 1.1: A 98 THR OG1 : rot 140:sc= 0.466 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 152:sc= 0.00864 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00912 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 8 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 11 SER OG : rot 15:sc= 0.252 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 140:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 19 THR OG1 : rot 2:sc= 1.12 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -34:sc= 0.135 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.11) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl -171:sc= 0 (180deg=-0.0684) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -122:sc= 0 (180deg=-0.00932) USER MOD Single : A 66 GLN : amide:sc=-0.00495 X(o=-0.0049,f=-0.0049) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 72 MET CE :methyl 165:sc= 0 (180deg=-0.149) USER MOD Single : A 74 ASN : amide:sc=-0.00828 K(o=-0.0083,f=-1.3) USER MOD Single : A 75 MET CE :methyl -169:sc= -0.614 (180deg=-0.672) USER MOD Single : A 83 SER OG : rot 81:sc= 1.27 USER MOD Single : A 87 SER OG : rot -7:sc= 0.099 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 97 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.1!) USER MOD Single : A 102 ASN : amide:sc= 0.935 K(o=0.93,f=-5.1!) USER MOD Single : A 107 HEC O2A : rot -120:sc= 0.0159 USER MOD Single : A 107 HEC O2D : rot -123:sc= 0.648 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.737 9.108 8.097 1.00 4.06 N ATOM 2 CA SER A 1 11.126 9.430 6.808 1.00 4.05 C ATOM 3 C SER A 1 10.731 8.129 6.104 1.00 2.87 C ATOM 4 O SER A 1 11.402 7.689 5.172 1.00 3.46 O ATOM 5 CB SER A 1 12.086 10.296 5.987 1.00 5.04 C ATOM 6 OG SER A 1 12.334 11.503 6.686 1.00 6.21 O ATOM 0 H1 SER A 1 12.407 9.858 8.360 1.00 4.06 H new ATOM 0 H2 SER A 1 10.996 9.035 8.824 1.00 4.06 H new ATOM 0 H3 SER A 1 12.242 8.202 8.025 1.00 4.06 H new ATOM 0 HA SER A 1 10.215 10.014 6.940 1.00 4.05 H new ATOM 0 HB2 SER A 1 13.021 9.762 5.815 1.00 5.04 H new ATOM 0 HB3 SER A 1 11.656 10.510 5.008 1.00 5.04 H new ATOM 0 HG SER A 1 12.949 12.061 6.166 1.00 6.21 H new ATOM 12 N GLY A 2 9.674 7.500 6.634 1.00 2.34 N ATOM 13 CA GLY A 2 9.187 6.155 6.314 1.00 1.13 C ATOM 14 C GLY A 2 8.424 5.526 7.488 1.00 0.87 C ATOM 15 O GLY A 2 7.201 5.428 7.451 1.00 0.73 O ATOM 0 H GLY A 2 9.098 7.949 7.346 1.00 2.34 H new ATOM 0 HA2 GLY A 2 8.535 6.203 5.442 1.00 1.13 H new ATOM 0 HA3 GLY A 2 10.030 5.518 6.047 1.00 1.13 H new ATOM 19 N GLU A 3 9.129 5.150 8.560 1.00 0.93 N ATOM 20 CA GLU A 3 8.535 4.470 9.723 1.00 0.77 C ATOM 21 C GLU A 3 7.632 5.387 10.554 1.00 0.71 C ATOM 22 O GLU A 3 6.470 5.048 10.777 1.00 0.65 O ATOM 23 CB GLU A 3 9.634 3.833 10.595 1.00 0.91 C ATOM 24 CG GLU A 3 9.036 3.129 11.823 1.00 1.18 C ATOM 25 CD GLU A 3 10.045 2.259 12.569 1.00 2.06 C ATOM 26 OE1 GLU A 3 11.072 2.776 13.076 1.00 2.74 O ATOM 27 OE2 GLU A 3 9.793 1.039 12.716 1.00 2.93 O ATOM 0 H GLU A 3 10.133 5.308 8.649 1.00 0.93 H new ATOM 0 HA GLU A 3 7.892 3.681 9.334 1.00 0.77 H new ATOM 0 HB2 GLU A 3 10.201 3.115 10.002 1.00 0.91 H new ATOM 0 HB3 GLU A 3 10.335 4.602 10.920 1.00 0.91 H new ATOM 0 HG2 GLU A 3 8.638 3.880 12.506 1.00 1.18 H new ATOM 0 HG3 GLU A 3 8.197 2.510 11.506 1.00 1.18 H new ATOM 34 N GLN A 4 8.113 6.563 10.975 1.00 0.92 N ATOM 35 CA GLN A 4 7.275 7.516 11.723 1.00 1.13 C ATOM 36 C GLN A 4 6.119 8.031 10.849 1.00 1.13 C ATOM 37 O GLN A 4 5.022 8.268 11.352 1.00 1.25 O ATOM 38 CB GLN A 4 8.115 8.689 12.260 1.00 1.50 C ATOM 39 CG GLN A 4 9.191 8.301 13.289 1.00 2.22 C ATOM 40 CD GLN A 4 8.657 7.856 14.646 1.00 3.62 C ATOM 41 OE1 GLN A 4 7.496 8.028 15.000 1.00 4.51 O ATOM 42 NE2 GLN A 4 9.509 7.297 15.473 1.00 4.69 N ATOM 0 H GLN A 4 9.070 6.878 10.814 1.00 0.92 H new ATOM 0 HA GLN A 4 6.849 6.988 12.576 1.00 1.13 H new ATOM 0 HB2 GLN A 4 8.600 9.184 11.419 1.00 1.50 H new ATOM 0 HB3 GLN A 4 7.444 9.418 12.715 1.00 1.50 H new ATOM 0 HG2 GLN A 4 9.797 7.496 12.872 1.00 2.22 H new ATOM 0 HG3 GLN A 4 9.853 9.154 13.438 1.00 2.22 H new ATOM 0 HE21 GLN A 4 10.477 7.150 15.186 1.00 4.69 H new ATOM 0 HE22 GLN A 4 9.203 7.009 16.403 1.00 4.69 H new ATOM 51 N ILE A 5 6.325 8.113 9.527 1.00 1.09 N ATOM 52 CA ILE A 5 5.273 8.412 8.544 1.00 1.06 C ATOM 53 C ILE A 5 4.179 7.328 8.572 1.00 0.90 C ATOM 54 O ILE A 5 3.002 7.661 8.704 1.00 0.95 O ATOM 55 CB ILE A 5 5.905 8.625 7.135 1.00 1.16 C ATOM 56 CG1 ILE A 5 6.740 9.931 7.138 1.00 1.46 C ATOM 57 CG2 ILE A 5 4.807 8.697 6.055 1.00 1.05 C ATOM 58 CD1 ILE A 5 7.386 10.297 5.791 1.00 1.65 C ATOM 0 H ILE A 5 7.242 7.971 9.103 1.00 1.09 H new ATOM 0 HA ILE A 5 4.776 9.345 8.807 1.00 1.06 H new ATOM 0 HB ILE A 5 6.555 7.781 6.905 1.00 1.16 H new ATOM 0 HG12 ILE A 5 6.097 10.754 7.450 1.00 1.46 H new ATOM 0 HG13 ILE A 5 7.526 9.839 7.887 1.00 1.46 H new ATOM 0 HG21 ILE A 5 5.267 8.846 5.078 1.00 1.05 H new ATOM 0 HG22 ILE A 5 4.239 7.767 6.051 1.00 1.05 H new ATOM 0 HG23 ILE A 5 4.138 9.530 6.272 1.00 1.05 H new ATOM 0 HD11 ILE A 5 7.948 11.225 5.897 1.00 1.65 H new ATOM 0 HD12 ILE A 5 8.060 9.498 5.482 1.00 1.65 H new ATOM 0 HD13 ILE A 5 6.609 10.427 5.038 1.00 1.65 H new ATOM 70 N PHE A 6 4.525 6.035 8.541 1.00 0.75 N ATOM 71 CA PHE A 6 3.532 4.962 8.672 1.00 0.65 C ATOM 72 C PHE A 6 2.838 4.988 10.047 1.00 0.68 C ATOM 73 O PHE A 6 1.609 4.943 10.130 1.00 0.77 O ATOM 74 CB PHE A 6 4.184 3.598 8.392 1.00 0.59 C ATOM 75 CG PHE A 6 3.191 2.451 8.275 1.00 0.77 C ATOM 76 CD1 PHE A 6 2.705 1.806 9.428 1.00 2.04 C ATOM 77 CD2 PHE A 6 2.744 2.026 7.008 1.00 2.70 C ATOM 78 CE1 PHE A 6 1.785 0.748 9.317 1.00 1.96 C ATOM 79 CE2 PHE A 6 1.826 0.966 6.895 1.00 3.07 C ATOM 80 CZ PHE A 6 1.346 0.325 8.051 1.00 1.56 C ATOM 0 H PHE A 6 5.484 5.707 8.426 1.00 0.75 H new ATOM 0 HA PHE A 6 2.753 5.129 7.928 1.00 0.65 H new ATOM 0 HB2 PHE A 6 4.758 3.664 7.468 1.00 0.59 H new ATOM 0 HB3 PHE A 6 4.891 3.373 9.191 1.00 0.59 H new ATOM 0 HD1 PHE A 6 3.041 2.125 10.404 1.00 2.04 H new ATOM 0 HD2 PHE A 6 3.109 2.517 6.118 1.00 2.70 H new ATOM 0 HE1 PHE A 6 1.415 0.260 10.207 1.00 1.96 H new ATOM 0 HE2 PHE A 6 1.490 0.644 5.920 1.00 3.07 H new ATOM 0 HZ PHE A 6 0.642 -0.490 7.966 1.00 1.56 H new ATOM 90 N ARG A 7 3.614 5.140 11.128 1.00 0.76 N ATOM 91 CA ARG A 7 3.132 5.165 12.521 1.00 1.02 C ATOM 92 C ARG A 7 2.131 6.299 12.790 1.00 1.25 C ATOM 93 O ARG A 7 1.199 6.111 13.575 1.00 1.47 O ATOM 94 CB ARG A 7 4.357 5.278 13.447 1.00 1.11 C ATOM 95 CG ARG A 7 4.097 4.900 14.914 1.00 1.55 C ATOM 96 CD ARG A 7 3.778 3.409 15.079 1.00 2.57 C ATOM 97 NE ARG A 7 3.807 3.010 16.496 1.00 3.17 N ATOM 98 CZ ARG A 7 4.358 1.886 16.995 1.00 4.10 C ATOM 99 NH1 ARG A 7 4.943 0.970 16.208 1.00 4.73 N ATOM 100 NH2 ARG A 7 4.323 1.677 18.319 1.00 4.83 N ATOM 0 H ARG A 7 4.625 5.253 11.059 1.00 0.76 H new ATOM 0 HA ARG A 7 2.585 4.243 12.717 1.00 1.02 H new ATOM 0 HB2 ARG A 7 5.149 4.638 13.057 1.00 1.11 H new ATOM 0 HB3 ARG A 7 4.728 6.302 13.411 1.00 1.11 H new ATOM 0 HG2 ARG A 7 4.972 5.151 15.513 1.00 1.55 H new ATOM 0 HG3 ARG A 7 3.267 5.492 15.299 1.00 1.55 H new ATOM 0 HD2 ARG A 7 2.795 3.197 14.659 1.00 2.57 H new ATOM 0 HD3 ARG A 7 4.500 2.816 14.517 1.00 2.57 H new ATOM 0 HE ARG A 7 3.368 3.645 17.163 1.00 3.17 H new ATOM 0 HH11 ARG A 7 4.980 1.114 15.199 1.00 4.73 H new ATOM 0 HH12 ARG A 7 5.350 0.130 16.619 1.00 4.73 H new ATOM 0 HH21 ARG A 7 3.884 2.364 18.932 1.00 4.83 H new ATOM 0 HH22 ARG A 7 4.735 0.831 18.713 1.00 4.83 H new ATOM 114 N THR A 8 2.292 7.441 12.109 1.00 1.30 N ATOM 115 CA THR A 8 1.417 8.626 12.219 1.00 1.53 C ATOM 116 C THR A 8 0.242 8.662 11.246 1.00 1.63 C ATOM 117 O THR A 8 -0.833 9.116 11.644 1.00 1.99 O ATOM 118 CB THR A 8 2.200 9.944 12.085 1.00 1.55 C ATOM 119 OG1 THR A 8 3.032 9.991 10.950 1.00 1.53 O ATOM 120 CG2 THR A 8 3.071 10.189 13.309 1.00 1.71 C ATOM 0 H THR A 8 3.055 7.575 11.446 1.00 1.30 H new ATOM 0 HA THR A 8 1.001 8.528 13.222 1.00 1.53 H new ATOM 0 HB THR A 8 1.437 10.716 11.986 1.00 1.55 H new ATOM 0 HG1 THR A 8 3.779 9.367 11.066 1.00 1.53 H new ATOM 0 HG21 THR A 8 3.613 11.127 13.188 1.00 1.71 H new ATOM 0 HG22 THR A 8 2.442 10.245 14.198 1.00 1.71 H new ATOM 0 HG23 THR A 8 3.782 9.370 13.419 1.00 1.71 H new ATOM 128 N ARG A 9 0.422 8.204 9.996 1.00 1.38 N ATOM 129 CA ARG A 9 -0.574 8.356 8.915 1.00 1.47 C ATOM 130 C ARG A 9 -1.270 7.054 8.493 1.00 1.31 C ATOM 131 O ARG A 9 -2.288 7.116 7.801 1.00 1.44 O ATOM 132 CB ARG A 9 0.090 9.001 7.686 1.00 1.63 C ATOM 133 CG ARG A 9 0.831 10.307 8.007 1.00 2.07 C ATOM 134 CD ARG A 9 1.386 10.934 6.729 1.00 1.64 C ATOM 135 NE ARG A 9 2.361 11.990 7.041 1.00 2.56 N ATOM 136 CZ ARG A 9 3.046 12.694 6.125 1.00 2.97 C ATOM 137 NH1 ARG A 9 2.834 12.518 4.813 1.00 3.26 N ATOM 138 NH2 ARG A 9 3.961 13.587 6.526 1.00 4.18 N ATOM 0 H ARG A 9 1.267 7.714 9.702 1.00 1.38 H new ATOM 0 HA ARG A 9 -1.357 8.994 9.325 1.00 1.47 H new ATOM 0 HB2 ARG A 9 0.792 8.292 7.248 1.00 1.63 H new ATOM 0 HB3 ARG A 9 -0.673 9.200 6.933 1.00 1.63 H new ATOM 0 HG2 ARG A 9 0.153 11.006 8.497 1.00 2.07 H new ATOM 0 HG3 ARG A 9 1.644 10.109 8.705 1.00 2.07 H new ATOM 0 HD2 ARG A 9 1.860 10.165 6.119 1.00 1.64 H new ATOM 0 HD3 ARG A 9 0.569 11.351 6.140 1.00 1.64 H new ATOM 0 HE ARG A 9 2.529 12.203 8.024 1.00 2.56 H new ATOM 0 HH11 ARG A 9 2.142 11.840 4.495 1.00 3.26 H new ATOM 0 HH12 ARG A 9 3.365 13.063 4.133 1.00 3.26 H new ATOM 0 HH21 ARG A 9 4.134 13.729 7.521 1.00 4.18 H new ATOM 0 HH22 ARG A 9 4.485 14.125 5.836 1.00 4.18 H new ATOM 152 N CYS A 10 -0.743 5.883 8.861 1.00 1.12 N ATOM 153 CA CYS A 10 -1.112 4.599 8.236 1.00 0.99 C ATOM 154 C CYS A 10 -1.412 3.432 9.187 1.00 0.92 C ATOM 155 O CYS A 10 -2.041 2.461 8.752 1.00 0.87 O ATOM 156 CB CYS A 10 0.019 4.158 7.301 1.00 0.97 C ATOM 157 SG CYS A 10 0.605 5.383 6.097 1.00 1.48 S ATOM 0 H CYS A 10 -0.047 5.793 9.601 1.00 1.12 H new ATOM 0 HA CYS A 10 -2.051 4.809 7.723 1.00 0.99 H new ATOM 0 HB2 CYS A 10 0.867 3.850 7.914 1.00 0.97 H new ATOM 0 HB3 CYS A 10 -0.316 3.276 6.754 1.00 0.97 H new ATOM 162 N SER A 11 -0.971 3.475 10.448 1.00 1.08 N ATOM 163 CA SER A 11 -1.039 2.330 11.373 1.00 1.22 C ATOM 164 C SER A 11 -2.457 1.898 11.785 1.00 1.47 C ATOM 165 O SER A 11 -2.667 0.720 12.074 1.00 2.47 O ATOM 166 CB SER A 11 -0.206 2.632 12.625 1.00 1.41 C ATOM 167 OG SER A 11 1.128 2.205 12.448 1.00 2.31 O ATOM 0 H SER A 11 -0.554 4.308 10.862 1.00 1.08 H new ATOM 0 HA SER A 11 -0.634 1.485 10.817 1.00 1.22 H new ATOM 0 HB2 SER A 11 -0.227 3.702 12.833 1.00 1.41 H new ATOM 0 HB3 SER A 11 -0.643 2.131 13.489 1.00 1.41 H new ATOM 0 HG SER A 11 1.293 2.033 11.497 1.00 2.31 H new ATOM 173 N SER A 12 -3.456 2.786 11.774 1.00 1.25 N ATOM 174 CA SER A 12 -4.785 2.546 12.383 1.00 1.48 C ATOM 175 C SER A 12 -5.670 1.463 11.728 1.00 1.34 C ATOM 176 O SER A 12 -6.716 1.110 12.286 1.00 1.58 O ATOM 177 CB SER A 12 -5.562 3.864 12.500 1.00 1.82 C ATOM 178 OG SER A 12 -5.716 4.491 11.239 1.00 2.64 O ATOM 0 H SER A 12 -3.372 3.705 11.339 1.00 1.25 H new ATOM 0 HA SER A 12 -4.549 2.133 13.364 1.00 1.48 H new ATOM 0 HB2 SER A 12 -6.543 3.672 12.934 1.00 1.82 H new ATOM 0 HB3 SER A 12 -5.039 4.536 13.180 1.00 1.82 H new ATOM 0 HG SER A 12 -6.216 5.327 11.348 1.00 2.64 H new ATOM 184 N CYS A 13 -5.258 0.902 10.586 1.00 1.13 N ATOM 185 CA CYS A 13 -6.018 -0.109 9.824 1.00 1.02 C ATOM 186 C CYS A 13 -5.198 -1.316 9.333 1.00 0.96 C ATOM 187 O CYS A 13 -5.769 -2.203 8.697 1.00 1.14 O ATOM 188 CB CYS A 13 -6.655 0.557 8.604 1.00 1.00 C ATOM 189 SG CYS A 13 -7.697 2.015 8.908 1.00 1.15 S ATOM 0 H CYS A 13 -4.367 1.140 10.151 1.00 1.13 H new ATOM 0 HA CYS A 13 -6.754 -0.502 10.525 1.00 1.02 H new ATOM 0 HB2 CYS A 13 -5.856 0.848 7.922 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -7.259 -0.189 8.088 1.00 1.00 H new ATOM 194 N HIS A 14 -3.883 -1.366 9.572 1.00 1.01 N ATOM 195 CA HIS A 14 -3.025 -2.508 9.213 1.00 1.07 C ATOM 196 C HIS A 14 -1.698 -2.537 9.995 1.00 0.95 C ATOM 197 O HIS A 14 -1.327 -1.591 10.692 1.00 1.12 O ATOM 198 CB HIS A 14 -2.770 -2.599 7.687 1.00 1.57 C ATOM 199 CG HIS A 14 -2.793 -1.323 6.895 1.00 0.62 C ATOM 200 ND1 HIS A 14 -2.283 -0.106 7.264 1.00 2.31 N ATOM 201 CD2 HIS A 14 -3.350 -1.192 5.656 1.00 1.05 C ATOM 202 CE1 HIS A 14 -2.561 0.753 6.271 1.00 2.80 C ATOM 203 NE2 HIS A 14 -3.217 0.145 5.252 1.00 1.08 N ATOM 0 H HIS A 14 -3.375 -0.607 10.026 1.00 1.01 H new ATOM 0 HA HIS A 14 -3.588 -3.393 9.509 1.00 1.07 H new ATOM 0 HB2 HIS A 14 -1.798 -3.068 7.538 1.00 1.57 H new ATOM 0 HB3 HIS A 14 -3.517 -3.270 7.262 1.00 1.57 H new ATOM 0 HD1 HIS A 14 -1.786 0.107 8.129 1.00 2.31 H new ATOM 0 HD2 HIS A 14 -3.814 -1.982 5.084 1.00 1.05 H new ATOM 0 HE1 HIS A 14 -2.295 1.800 6.282 1.00 2.80 H new ATOM 211 N THR A 15 -0.987 -3.649 9.829 1.00 0.97 N ATOM 212 CA THR A 15 0.265 -4.009 10.507 1.00 1.05 C ATOM 213 C THR A 15 1.307 -4.476 9.487 1.00 0.92 C ATOM 214 O THR A 15 0.939 -4.871 8.379 1.00 0.89 O ATOM 215 CB THR A 15 -0.035 -5.080 11.565 1.00 1.30 C ATOM 216 OG1 THR A 15 1.041 -5.182 12.456 1.00 2.55 O ATOM 217 CG2 THR A 15 -0.358 -6.455 10.979 1.00 3.37 C ATOM 0 H THR A 15 -1.286 -4.373 9.176 1.00 0.97 H new ATOM 0 HA THR A 15 0.687 -3.139 11.011 1.00 1.05 H new ATOM 0 HB THR A 15 -0.934 -4.752 12.087 1.00 1.30 H new ATOM 0 HG1 THR A 15 0.701 -5.298 13.368 1.00 2.55 H new ATOM 0 HG21 THR A 15 -0.558 -7.157 11.788 1.00 3.37 H new ATOM 0 HG22 THR A 15 -1.236 -6.380 10.338 1.00 3.37 H new ATOM 0 HG23 THR A 15 0.490 -6.809 10.393 1.00 3.37 H new ATOM 225 N VAL A 16 2.599 -4.411 9.815 1.00 0.95 N ATOM 226 CA VAL A 16 3.694 -4.794 8.900 1.00 0.84 C ATOM 227 C VAL A 16 4.570 -5.834 9.585 1.00 1.09 C ATOM 228 O VAL A 16 5.690 -5.558 10.020 1.00 1.51 O ATOM 229 CB VAL A 16 4.484 -3.579 8.361 1.00 0.83 C ATOM 230 CG1 VAL A 16 5.323 -3.998 7.142 1.00 1.46 C ATOM 231 CG2 VAL A 16 3.544 -2.433 7.953 1.00 1.36 C ATOM 0 H VAL A 16 2.925 -4.090 10.727 1.00 0.95 H new ATOM 0 HA VAL A 16 3.265 -5.244 8.005 1.00 0.84 H new ATOM 0 HB VAL A 16 5.135 -3.226 9.161 1.00 0.83 H new ATOM 0 HG11 VAL A 16 5.877 -3.137 6.768 1.00 1.46 H new ATOM 0 HG12 VAL A 16 6.023 -4.781 7.434 1.00 1.46 H new ATOM 0 HG13 VAL A 16 4.665 -4.374 6.359 1.00 1.46 H new ATOM 0 HG21 VAL A 16 4.133 -1.595 7.579 1.00 1.36 H new ATOM 0 HG22 VAL A 16 2.867 -2.778 7.172 1.00 1.36 H new ATOM 0 HG23 VAL A 16 2.965 -2.112 8.819 1.00 1.36 H new ATOM 241 N GLY A 17 4.014 -7.035 9.717 1.00 1.05 N ATOM 242 CA GLY A 17 4.601 -8.158 10.448 1.00 1.29 C ATOM 243 C GLY A 17 3.950 -8.379 11.814 1.00 1.44 C ATOM 244 O GLY A 17 4.629 -8.313 12.839 1.00 1.74 O ATOM 0 H GLY A 17 3.110 -7.263 9.304 1.00 1.05 H new ATOM 0 HA2 GLY A 17 4.502 -9.065 9.852 1.00 1.29 H new ATOM 0 HA3 GLY A 17 5.668 -7.980 10.583 1.00 1.29 H new ATOM 248 N ASN A 18 2.634 -8.615 11.821 1.00 2.27 N ATOM 249 CA ASN A 18 1.879 -9.196 12.934 1.00 3.07 C ATOM 250 C ASN A 18 0.661 -9.969 12.377 1.00 3.77 C ATOM 251 O ASN A 18 0.161 -9.652 11.296 1.00 4.87 O ATOM 252 CB ASN A 18 1.456 -8.078 13.906 1.00 3.33 C ATOM 253 CG ASN A 18 1.073 -8.594 15.280 1.00 4.48 C ATOM 254 OD1 ASN A 18 -0.011 -9.124 15.484 1.00 5.72 O ATOM 255 ND2 ASN A 18 1.944 -8.477 16.254 1.00 4.75 N ATOM 0 H ASN A 18 2.043 -8.397 11.019 1.00 2.27 H new ATOM 0 HA ASN A 18 2.499 -9.901 13.488 1.00 3.07 H new ATOM 0 HB2 ASN A 18 2.274 -7.365 14.008 1.00 3.33 H new ATOM 0 HB3 ASN A 18 0.612 -7.536 13.480 1.00 3.33 H new ATOM 0 HD21 ASN A 18 1.719 -8.828 17.185 1.00 4.75 H new ATOM 0 HD22 ASN A 18 2.847 -8.035 16.081 1.00 4.75 H new ATOM 262 N THR A 19 0.153 -10.977 13.085 1.00 3.99 N ATOM 263 CA THR A 19 -1.160 -11.598 12.823 1.00 4.67 C ATOM 264 C THR A 19 -1.762 -12.156 14.118 1.00 5.31 C ATOM 265 O THR A 19 -1.280 -13.137 14.686 1.00 6.18 O ATOM 266 CB THR A 19 -1.059 -12.675 11.728 1.00 5.50 C ATOM 267 OG1 THR A 19 -0.807 -12.035 10.490 1.00 5.52 O ATOM 268 CG2 THR A 19 -2.343 -13.481 11.520 1.00 6.45 C ATOM 0 H THR A 19 0.646 -11.398 13.873 1.00 3.99 H new ATOM 0 HA THR A 19 -1.835 -10.827 12.450 1.00 4.67 H new ATOM 0 HB THR A 19 -0.270 -13.353 12.052 1.00 5.50 H new ATOM 0 HG1 THR A 19 -0.725 -11.069 10.632 1.00 5.52 H new ATOM 0 HG21 THR A 19 -2.187 -14.218 10.732 1.00 6.45 H new ATOM 0 HG22 THR A 19 -2.606 -13.991 12.446 1.00 6.45 H new ATOM 0 HG23 THR A 19 -3.152 -12.809 11.233 1.00 6.45 H new ATOM 276 N GLU A 20 -2.836 -11.523 14.584 1.00 5.28 N ATOM 277 CA GLU A 20 -3.690 -11.979 15.691 1.00 6.18 C ATOM 278 C GLU A 20 -4.751 -13.008 15.231 1.00 6.85 C ATOM 279 O GLU A 20 -4.987 -13.156 14.022 1.00 6.90 O ATOM 280 CB GLU A 20 -4.344 -10.748 16.353 1.00 6.42 C ATOM 281 CG GLU A 20 -3.329 -9.948 17.177 1.00 6.49 C ATOM 282 CD GLU A 20 -3.988 -8.772 17.900 1.00 7.18 C ATOM 283 OE1 GLU A 20 -4.420 -8.946 19.066 1.00 8.12 O ATOM 284 OE2 GLU A 20 -4.022 -7.651 17.337 1.00 7.32 O ATOM 0 H GLU A 20 -3.153 -10.639 14.187 1.00 5.28 H new ATOM 0 HA GLU A 20 -3.069 -12.499 16.420 1.00 6.18 H new ATOM 0 HB2 GLU A 20 -4.776 -10.107 15.585 1.00 6.42 H new ATOM 0 HB3 GLU A 20 -5.162 -11.071 16.996 1.00 6.42 H new ATOM 0 HG2 GLU A 20 -2.855 -10.604 17.907 1.00 6.49 H new ATOM 0 HG3 GLU A 20 -2.540 -9.577 16.522 1.00 6.49 H new ATOM 291 N PRO A 21 -5.428 -13.720 16.158 1.00 7.67 N ATOM 292 CA PRO A 21 -6.531 -14.623 15.823 1.00 8.54 C ATOM 293 C PRO A 21 -7.664 -13.904 15.071 1.00 8.64 C ATOM 294 O PRO A 21 -8.079 -12.801 15.446 1.00 8.17 O ATOM 295 CB PRO A 21 -7.004 -15.226 17.151 1.00 9.30 C ATOM 296 CG PRO A 21 -5.765 -15.126 18.040 1.00 9.30 C ATOM 297 CD PRO A 21 -5.134 -13.814 17.583 1.00 8.11 C ATOM 0 HA PRO A 21 -6.201 -15.404 15.138 1.00 8.54 H new ATOM 0 HB2 PRO A 21 -7.845 -14.672 17.568 1.00 9.30 H new ATOM 0 HB3 PRO A 21 -7.331 -16.259 17.031 1.00 9.30 H new ATOM 0 HG2 PRO A 21 -6.026 -15.104 19.098 1.00 9.30 H new ATOM 0 HG3 PRO A 21 -5.093 -15.972 17.895 1.00 9.30 H new ATOM 0 HD2 PRO A 21 -5.551 -12.967 18.127 1.00 8.11 H new ATOM 0 HD3 PRO A 21 -4.059 -13.811 17.764 1.00 8.11 H new ATOM 305 N GLY A 22 -8.161 -14.517 13.994 1.00 9.53 N ATOM 306 CA GLY A 22 -9.155 -13.909 13.095 1.00 9.90 C ATOM 307 C GLY A 22 -8.585 -12.862 12.122 1.00 9.10 C ATOM 308 O GLY A 22 -9.365 -12.155 11.478 1.00 9.07 O ATOM 0 H GLY A 22 -7.884 -15.458 13.716 1.00 9.53 H new ATOM 0 HA2 GLY A 22 -9.634 -14.699 12.517 1.00 9.90 H new ATOM 0 HA3 GLY A 22 -9.932 -13.440 13.698 1.00 9.90 H new ATOM 312 N GLN A 23 -7.249 -12.776 12.011 1.00 8.94 N ATOM 313 CA GLN A 23 -6.475 -11.811 11.207 1.00 8.63 C ATOM 314 C GLN A 23 -6.690 -10.334 11.638 1.00 6.99 C ATOM 315 O GLN A 23 -7.568 -10.067 12.467 1.00 6.67 O ATOM 316 CB GLN A 23 -6.692 -12.094 9.702 1.00 10.02 C ATOM 317 CG GLN A 23 -6.367 -13.550 9.319 1.00 11.65 C ATOM 318 CD GLN A 23 -6.416 -13.771 7.812 1.00 13.36 C ATOM 319 OE1 GLN A 23 -7.472 -13.941 7.210 1.00 14.16 O ATOM 320 NE2 GLN A 23 -5.291 -13.766 7.135 1.00 14.28 N ATOM 0 H GLN A 23 -6.639 -13.421 12.513 1.00 8.94 H new ATOM 0 HA GLN A 23 -5.414 -11.961 11.406 1.00 8.63 H new ATOM 0 HB2 GLN A 23 -7.728 -11.876 9.441 1.00 10.02 H new ATOM 0 HB3 GLN A 23 -6.067 -11.420 9.116 1.00 10.02 H new ATOM 0 HG2 GLN A 23 -5.376 -13.810 9.691 1.00 11.65 H new ATOM 0 HG3 GLN A 23 -7.076 -14.219 9.806 1.00 11.65 H new ATOM 0 HE21 GLN A 23 -4.405 -13.626 7.620 1.00 14.28 H new ATOM 0 HE22 GLN A 23 -5.303 -13.902 6.124 1.00 14.28 H new ATOM 329 N PRO A 24 -5.901 -9.346 11.152 1.00 6.42 N ATOM 330 CA PRO A 24 -6.062 -7.939 11.542 1.00 5.21 C ATOM 331 C PRO A 24 -7.477 -7.399 11.268 1.00 4.55 C ATOM 332 O PRO A 24 -8.163 -7.854 10.346 1.00 5.05 O ATOM 333 CB PRO A 24 -4.968 -7.162 10.803 1.00 5.82 C ATOM 334 CG PRO A 24 -3.895 -8.218 10.544 1.00 7.42 C ATOM 335 CD PRO A 24 -4.723 -9.480 10.304 1.00 7.58 C ATOM 0 HA PRO A 24 -5.951 -7.823 12.620 1.00 5.21 H new ATOM 0 HB2 PRO A 24 -5.340 -6.731 9.873 1.00 5.82 H new ATOM 0 HB3 PRO A 24 -4.584 -6.339 11.405 1.00 5.82 H new ATOM 0 HG2 PRO A 24 -3.279 -7.967 9.681 1.00 7.42 H new ATOM 0 HG3 PRO A 24 -3.222 -8.330 11.394 1.00 7.42 H new ATOM 0 HD2 PRO A 24 -5.004 -9.570 9.255 1.00 7.58 H new ATOM 0 HD3 PRO A 24 -4.156 -10.375 10.560 1.00 7.58 H new ATOM 343 N GLY A 25 -7.953 -6.470 12.104 1.00 4.04 N ATOM 344 CA GLY A 25 -9.387 -6.169 12.265 1.00 3.92 C ATOM 345 C GLY A 25 -10.126 -5.549 11.068 1.00 3.04 C ATOM 346 O GLY A 25 -11.361 -5.585 11.042 1.00 3.28 O ATOM 0 H GLY A 25 -7.351 -5.898 12.696 1.00 4.04 H new ATOM 0 HA2 GLY A 25 -9.896 -7.095 12.530 1.00 3.92 H new ATOM 0 HA3 GLY A 25 -9.494 -5.492 13.113 1.00 3.92 H new ATOM 350 N ILE A 26 -9.404 -4.996 10.088 1.00 2.56 N ATOM 351 CA ILE A 26 -9.962 -4.305 8.905 1.00 1.95 C ATOM 352 C ILE A 26 -9.279 -4.765 7.603 1.00 2.38 C ATOM 353 O ILE A 26 -9.953 -4.921 6.583 1.00 3.35 O ATOM 354 CB ILE A 26 -9.851 -2.762 9.047 1.00 1.57 C ATOM 355 CG1 ILE A 26 -10.261 -2.274 10.457 1.00 2.15 C ATOM 356 CG2 ILE A 26 -10.714 -2.070 7.967 1.00 1.50 C ATOM 357 CD1 ILE A 26 -10.215 -0.757 10.646 1.00 1.61 C ATOM 0 H ILE A 26 -8.384 -5.014 10.089 1.00 2.56 H new ATOM 0 HA ILE A 26 -11.017 -4.574 8.851 1.00 1.95 H new ATOM 0 HB ILE A 26 -8.804 -2.493 8.905 1.00 1.57 H new ATOM 0 HG12 ILE A 26 -11.272 -2.622 10.667 1.00 2.15 H new ATOM 0 HG13 ILE A 26 -9.604 -2.738 11.193 1.00 2.15 H new ATOM 0 HG21 ILE A 26 -10.631 -0.988 8.073 1.00 1.50 H new ATOM 0 HG22 ILE A 26 -10.365 -2.366 6.978 1.00 1.50 H new ATOM 0 HG23 ILE A 26 -11.756 -2.368 8.088 1.00 1.50 H new ATOM 0 HD11 ILE A 26 -10.518 -0.508 11.663 1.00 1.61 H new ATOM 0 HD12 ILE A 26 -9.200 -0.399 10.472 1.00 1.61 H new ATOM 0 HD13 ILE A 26 -10.894 -0.281 9.938 1.00 1.61 H new ATOM 369 N GLY A 27 -7.957 -4.971 7.616 1.00 2.14 N ATOM 370 CA GLY A 27 -7.153 -5.219 6.412 1.00 2.93 C ATOM 371 C GLY A 27 -6.111 -6.345 6.526 1.00 2.43 C ATOM 372 O GLY A 27 -6.157 -7.154 7.455 1.00 2.71 O ATOM 0 H GLY A 27 -7.407 -4.970 8.475 1.00 2.14 H new ATOM 0 HA2 GLY A 27 -7.828 -5.455 5.589 1.00 2.93 H new ATOM 0 HA3 GLY A 27 -6.637 -4.297 6.146 1.00 2.93 H new ATOM 376 N PRO A 28 -5.183 -6.430 5.555 1.00 2.24 N ATOM 377 CA PRO A 28 -4.119 -7.432 5.538 1.00 2.05 C ATOM 378 C PRO A 28 -2.910 -7.064 6.411 1.00 1.52 C ATOM 379 O PRO A 28 -2.621 -5.889 6.643 1.00 1.45 O ATOM 380 CB PRO A 28 -3.712 -7.558 4.068 1.00 2.62 C ATOM 381 CG PRO A 28 -4.004 -6.175 3.487 1.00 3.15 C ATOM 382 CD PRO A 28 -5.191 -5.673 4.308 1.00 2.75 C ATOM 0 HA PRO A 28 -4.481 -8.369 5.961 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -2.659 -7.820 3.966 1.00 2.62 H new ATOM 0 HB3 PRO A 28 -4.284 -8.334 3.560 1.00 2.62 H new ATOM 0 HG2 PRO A 28 -3.144 -5.512 3.582 1.00 3.15 H new ATOM 0 HG3 PRO A 28 -4.247 -6.231 2.426 1.00 3.15 H new ATOM 0 HD2 PRO A 28 -5.103 -4.604 4.503 1.00 2.75 H new ATOM 0 HD3 PRO A 28 -6.126 -5.823 3.769 1.00 2.75 H new ATOM 390 N ASP A 29 -2.134 -8.080 6.799 1.00 1.47 N ATOM 391 CA ASP A 29 -0.719 -7.907 7.150 1.00 1.33 C ATOM 392 C ASP A 29 0.087 -7.562 5.884 1.00 1.24 C ATOM 393 O ASP A 29 -0.061 -8.212 4.839 1.00 1.60 O ATOM 394 CB ASP A 29 -0.187 -9.178 7.839 1.00 1.61 C ATOM 395 CG ASP A 29 1.330 -9.167 8.092 1.00 2.06 C ATOM 396 OD1 ASP A 29 1.931 -8.079 8.213 1.00 2.67 O ATOM 397 OD2 ASP A 29 1.929 -10.272 8.118 1.00 2.98 O ATOM 0 H ASP A 29 -2.465 -9.041 6.879 1.00 1.47 H new ATOM 0 HA ASP A 29 -0.610 -7.082 7.854 1.00 1.33 H new ATOM 0 HB2 ASP A 29 -0.702 -9.305 8.791 1.00 1.61 H new ATOM 0 HB3 ASP A 29 -0.436 -10.043 7.224 1.00 1.61 H new ATOM 402 N LEU A 30 0.931 -6.534 5.968 1.00 0.87 N ATOM 403 CA LEU A 30 1.700 -6.003 4.837 1.00 0.84 C ATOM 404 C LEU A 30 3.113 -6.598 4.733 1.00 0.82 C ATOM 405 O LEU A 30 3.777 -6.377 3.719 1.00 1.01 O ATOM 406 CB LEU A 30 1.746 -4.465 4.893 1.00 0.86 C ATOM 407 CG LEU A 30 0.409 -3.759 5.187 1.00 0.89 C ATOM 408 CD1 LEU A 30 0.584 -2.238 5.106 1.00 0.98 C ATOM 409 CD2 LEU A 30 -0.692 -4.129 4.191 1.00 1.22 C ATOM 0 H LEU A 30 1.105 -6.035 6.841 1.00 0.87 H new ATOM 0 HA LEU A 30 1.179 -6.309 3.930 1.00 0.84 H new ATOM 0 HB2 LEU A 30 2.465 -4.171 5.657 1.00 0.86 H new ATOM 0 HB3 LEU A 30 2.126 -4.098 3.940 1.00 0.86 H new ATOM 0 HG LEU A 30 0.116 -4.085 6.185 1.00 0.89 H new ATOM 0 HD11 LEU A 30 -0.368 -1.751 5.316 1.00 0.98 H new ATOM 0 HD12 LEU A 30 1.325 -1.917 5.838 1.00 0.98 H new ATOM 0 HD13 LEU A 30 0.920 -1.963 4.106 1.00 0.98 H new ATOM 0 HD21 LEU A 30 -1.609 -3.601 4.450 1.00 1.22 H new ATOM 0 HD22 LEU A 30 -0.382 -3.847 3.185 1.00 1.22 H new ATOM 0 HD23 LEU A 30 -0.870 -5.204 4.228 1.00 1.22 H new ATOM 421 N LEU A 31 3.603 -7.355 5.723 1.00 0.80 N ATOM 422 CA LEU A 31 4.907 -8.012 5.581 1.00 0.91 C ATOM 423 C LEU A 31 4.894 -8.995 4.410 1.00 1.03 C ATOM 424 O LEU A 31 3.951 -9.766 4.234 1.00 1.68 O ATOM 425 CB LEU A 31 5.351 -8.666 6.883 1.00 1.00 C ATOM 426 CG LEU A 31 6.796 -9.193 6.794 1.00 1.42 C ATOM 427 CD1 LEU A 31 7.524 -8.911 8.096 1.00 2.12 C ATOM 428 CD2 LEU A 31 6.854 -10.689 6.500 1.00 2.27 C ATOM 0 H LEU A 31 3.129 -7.525 6.610 1.00 0.80 H new ATOM 0 HA LEU A 31 5.649 -7.247 5.353 1.00 0.91 H new ATOM 0 HB2 LEU A 31 5.277 -7.944 7.696 1.00 1.00 H new ATOM 0 HB3 LEU A 31 4.678 -9.489 7.125 1.00 1.00 H new ATOM 0 HG LEU A 31 7.278 -8.674 5.965 1.00 1.42 H new ATOM 0 HD11 LEU A 31 8.546 -9.285 8.030 1.00 2.12 H new ATOM 0 HD12 LEU A 31 7.542 -7.836 8.277 1.00 2.12 H new ATOM 0 HD13 LEU A 31 7.008 -9.409 8.917 1.00 2.12 H new ATOM 0 HD21 LEU A 31 7.895 -11.009 6.448 1.00 2.27 H new ATOM 0 HD22 LEU A 31 6.346 -11.236 7.294 1.00 2.27 H new ATOM 0 HD23 LEU A 31 6.363 -10.892 5.548 1.00 2.27 H new ATOM 440 N GLY A 32 5.950 -8.943 3.604 1.00 0.96 N ATOM 441 CA GLY A 32 6.115 -9.789 2.415 1.00 1.03 C ATOM 442 C GLY A 32 5.217 -9.431 1.224 1.00 0.94 C ATOM 443 O GLY A 32 5.391 -9.992 0.143 1.00 1.05 O ATOM 0 H GLY A 32 6.730 -8.304 3.756 1.00 0.96 H new ATOM 0 HA2 GLY A 32 7.155 -9.736 2.093 1.00 1.03 H new ATOM 0 HA3 GLY A 32 5.921 -10.824 2.696 1.00 1.03 H new ATOM 447 N VAL A 33 4.299 -8.459 1.341 1.00 0.87 N ATOM 448 CA VAL A 33 3.382 -8.103 0.240 1.00 0.89 C ATOM 449 C VAL A 33 4.126 -7.638 -1.018 1.00 0.83 C ATOM 450 O VAL A 33 3.703 -7.928 -2.131 1.00 0.94 O ATOM 451 CB VAL A 33 2.346 -7.062 0.702 1.00 0.97 C ATOM 452 CG1 VAL A 33 2.917 -5.644 0.816 1.00 1.49 C ATOM 453 CG2 VAL A 33 1.159 -7.022 -0.256 1.00 1.68 C ATOM 0 H VAL A 33 4.170 -7.903 2.187 1.00 0.87 H new ATOM 0 HA VAL A 33 2.848 -9.012 -0.038 1.00 0.89 H new ATOM 0 HB VAL A 33 2.034 -7.382 1.696 1.00 0.97 H new ATOM 0 HG11 VAL A 33 2.134 -4.962 1.146 1.00 1.49 H new ATOM 0 HG12 VAL A 33 3.732 -5.637 1.539 1.00 1.49 H new ATOM 0 HG13 VAL A 33 3.292 -5.323 -0.156 1.00 1.49 H new ATOM 0 HG21 VAL A 33 0.438 -6.280 0.088 1.00 1.68 H new ATOM 0 HG22 VAL A 33 1.506 -6.755 -1.254 1.00 1.68 H new ATOM 0 HG23 VAL A 33 0.684 -8.002 -0.287 1.00 1.68 H new ATOM 463 N THR A 34 5.305 -7.029 -0.852 1.00 0.80 N ATOM 464 CA THR A 34 6.214 -6.627 -1.943 1.00 0.94 C ATOM 465 C THR A 34 6.805 -7.816 -2.742 1.00 1.00 C ATOM 466 O THR A 34 7.506 -7.608 -3.729 1.00 1.05 O ATOM 467 CB THR A 34 7.289 -5.682 -1.370 1.00 1.11 C ATOM 468 OG1 THR A 34 7.970 -5.001 -2.389 1.00 2.22 O ATOM 469 CG2 THR A 34 8.330 -6.387 -0.498 1.00 1.84 C ATOM 0 H THR A 34 5.669 -6.793 0.071 1.00 0.80 H new ATOM 0 HA THR A 34 5.632 -6.090 -2.692 1.00 0.94 H new ATOM 0 HB THR A 34 6.733 -4.985 -0.743 1.00 1.11 H new ATOM 0 HG1 THR A 34 8.049 -5.582 -3.174 1.00 2.22 H new ATOM 0 HG21 THR A 34 9.052 -5.657 -0.132 1.00 1.84 H new ATOM 0 HG22 THR A 34 7.834 -6.863 0.348 1.00 1.84 H new ATOM 0 HG23 THR A 34 8.847 -7.144 -1.088 1.00 1.84 H new ATOM 477 N ARG A 35 6.513 -9.064 -2.344 1.00 1.20 N ATOM 478 CA ARG A 35 6.830 -10.330 -3.040 1.00 1.43 C ATOM 479 C ARG A 35 5.575 -11.144 -3.397 1.00 1.50 C ATOM 480 O ARG A 35 5.551 -11.794 -4.445 1.00 1.99 O ATOM 481 CB ARG A 35 7.804 -11.134 -2.153 1.00 1.56 C ATOM 482 CG ARG A 35 8.165 -12.542 -2.657 1.00 2.84 C ATOM 483 CD ARG A 35 8.863 -12.549 -4.025 1.00 4.18 C ATOM 484 NE ARG A 35 9.175 -13.924 -4.453 1.00 5.26 N ATOM 485 CZ ARG A 35 8.351 -14.750 -5.127 1.00 6.90 C ATOM 486 NH1 ARG A 35 7.123 -14.370 -5.512 1.00 8.00 N ATOM 487 NH2 ARG A 35 8.769 -15.990 -5.418 1.00 7.86 N ATOM 0 H ARG A 35 6.016 -9.231 -1.469 1.00 1.20 H new ATOM 0 HA ARG A 35 7.300 -10.101 -3.997 1.00 1.43 H new ATOM 0 HB2 ARG A 35 8.725 -10.560 -2.045 1.00 1.56 H new ATOM 0 HB3 ARG A 35 7.368 -11.226 -1.158 1.00 1.56 H new ATOM 0 HG2 ARG A 35 8.814 -13.025 -1.926 1.00 2.84 H new ATOM 0 HG3 ARG A 35 7.256 -13.140 -2.720 1.00 2.84 H new ATOM 0 HD2 ARG A 35 8.223 -12.070 -4.766 1.00 4.18 H new ATOM 0 HD3 ARG A 35 9.781 -11.964 -3.972 1.00 4.18 H new ATOM 0 HE ARG A 35 10.100 -14.284 -4.217 1.00 5.26 H new ATOM 0 HH11 ARG A 35 6.788 -13.431 -5.296 1.00 8.00 H new ATOM 0 HH12 ARG A 35 6.524 -15.020 -6.021 1.00 8.00 H new ATOM 0 HH21 ARG A 35 9.698 -16.296 -5.130 1.00 7.86 H new ATOM 0 HH22 ARG A 35 8.158 -16.628 -5.928 1.00 7.86 H new ATOM 501 N GLN A 36 4.549 -11.138 -2.537 1.00 1.30 N ATOM 502 CA GLN A 36 3.305 -11.912 -2.733 1.00 1.48 C ATOM 503 C GLN A 36 2.232 -11.169 -3.569 1.00 1.68 C ATOM 504 O GLN A 36 1.228 -11.764 -3.979 1.00 2.13 O ATOM 505 CB GLN A 36 2.758 -12.414 -1.381 1.00 1.60 C ATOM 506 CG GLN A 36 3.786 -13.070 -0.436 1.00 1.98 C ATOM 507 CD GLN A 36 4.610 -14.224 -1.010 1.00 3.17 C ATOM 508 OE1 GLN A 36 4.271 -14.882 -1.990 1.00 4.12 O ATOM 509 NE2 GLN A 36 5.739 -14.513 -0.403 1.00 4.33 N ATOM 0 H GLN A 36 4.554 -10.592 -1.675 1.00 1.30 H new ATOM 0 HA GLN A 36 3.568 -12.781 -3.336 1.00 1.48 H new ATOM 0 HB2 GLN A 36 2.302 -11.572 -0.861 1.00 1.60 H new ATOM 0 HB3 GLN A 36 1.964 -13.134 -1.578 1.00 1.60 H new ATOM 0 HG2 GLN A 36 4.475 -12.298 -0.094 1.00 1.98 H new ATOM 0 HG3 GLN A 36 3.255 -13.436 0.443 1.00 1.98 H new ATOM 0 HE21 GLN A 36 6.032 -13.974 0.412 1.00 4.33 H new ATOM 0 HE22 GLN A 36 6.322 -15.276 -0.747 1.00 4.33 H new ATOM 518 N ARG A 37 2.456 -9.881 -3.855 1.00 1.47 N ATOM 519 CA ARG A 37 1.815 -9.056 -4.900 1.00 1.48 C ATOM 520 C ARG A 37 2.819 -8.845 -6.049 1.00 1.59 C ATOM 521 O ARG A 37 3.980 -9.241 -5.930 1.00 2.22 O ATOM 522 CB ARG A 37 1.351 -7.736 -4.254 1.00 1.35 C ATOM 523 CG ARG A 37 0.213 -7.006 -4.983 1.00 1.93 C ATOM 524 CD ARG A 37 -1.143 -7.727 -4.958 1.00 1.75 C ATOM 525 NE ARG A 37 -1.691 -7.824 -3.594 1.00 1.55 N ATOM 526 CZ ARG A 37 -1.719 -8.925 -2.821 1.00 1.47 C ATOM 527 NH1 ARG A 37 -1.264 -10.111 -3.258 1.00 1.96 N ATOM 528 NH2 ARG A 37 -2.212 -8.837 -1.580 1.00 1.77 N ATOM 0 H ARG A 37 3.141 -9.342 -3.325 1.00 1.47 H new ATOM 0 HA ARG A 37 0.937 -9.543 -5.326 1.00 1.48 H new ATOM 0 HB2 ARG A 37 1.030 -7.945 -3.233 1.00 1.35 H new ATOM 0 HB3 ARG A 37 2.207 -7.064 -4.188 1.00 1.35 H new ATOM 0 HG2 ARG A 37 0.091 -6.019 -4.537 1.00 1.93 H new ATOM 0 HG3 ARG A 37 0.507 -6.853 -6.021 1.00 1.93 H new ATOM 0 HD2 ARG A 37 -1.849 -7.194 -5.595 1.00 1.75 H new ATOM 0 HD3 ARG A 37 -1.029 -8.728 -5.375 1.00 1.75 H new ATOM 0 HE ARG A 37 -2.088 -6.973 -3.196 1.00 1.55 H new ATOM 0 HH11 ARG A 37 -0.883 -10.195 -4.201 1.00 1.96 H new ATOM 0 HH12 ARG A 37 -1.299 -10.927 -2.647 1.00 1.96 H new ATOM 0 HH21 ARG A 37 -2.560 -7.944 -1.232 1.00 1.77 H new ATOM 0 HH22 ARG A 37 -2.240 -9.663 -0.982 1.00 1.77 H new ATOM 542 N ASP A 38 2.423 -8.221 -7.158 1.00 1.49 N ATOM 543 CA ASP A 38 3.398 -7.642 -8.097 1.00 1.44 C ATOM 544 C ASP A 38 3.954 -6.326 -7.517 1.00 1.47 C ATOM 545 O ASP A 38 3.198 -5.458 -7.067 1.00 1.57 O ATOM 546 CB ASP A 38 2.795 -7.476 -9.501 1.00 1.36 C ATOM 547 CG ASP A 38 2.749 -8.805 -10.264 1.00 2.81 C ATOM 548 OD1 ASP A 38 3.793 -9.220 -10.830 1.00 3.02 O ATOM 549 OD2 ASP A 38 1.677 -9.454 -10.285 1.00 4.40 O ATOM 0 H ASP A 38 1.447 -8.101 -7.431 1.00 1.49 H new ATOM 0 HA ASP A 38 4.236 -8.328 -8.218 1.00 1.44 H new ATOM 0 HB2 ASP A 38 1.787 -7.070 -9.417 1.00 1.36 H new ATOM 0 HB3 ASP A 38 3.384 -6.753 -10.066 1.00 1.36 H new ATOM 554 N ALA A 39 5.280 -6.186 -7.479 1.00 1.53 N ATOM 555 CA ALA A 39 5.945 -5.189 -6.637 1.00 1.71 C ATOM 556 C ALA A 39 5.683 -3.732 -7.068 1.00 1.68 C ATOM 557 O ALA A 39 5.208 -2.933 -6.259 1.00 2.18 O ATOM 558 CB ALA A 39 7.439 -5.527 -6.581 1.00 1.87 C ATOM 0 H ALA A 39 5.921 -6.758 -8.028 1.00 1.53 H new ATOM 0 HA ALA A 39 5.516 -5.243 -5.636 1.00 1.71 H new ATOM 0 HB1 ALA A 39 7.954 -4.796 -5.958 1.00 1.87 H new ATOM 0 HB2 ALA A 39 7.571 -6.522 -6.157 1.00 1.87 H new ATOM 0 HB3 ALA A 39 7.855 -5.503 -7.588 1.00 1.87 H new ATOM 564 N ASN A 40 5.945 -3.374 -8.328 1.00 1.33 N ATOM 565 CA ASN A 40 5.686 -2.036 -8.890 1.00 1.30 C ATOM 566 C ASN A 40 4.210 -1.839 -9.296 1.00 0.88 C ATOM 567 O ASN A 40 3.790 -0.700 -9.505 1.00 0.83 O ATOM 568 CB ASN A 40 6.600 -1.826 -10.105 1.00 1.62 C ATOM 569 CG ASN A 40 8.086 -1.772 -9.803 1.00 2.87 C ATOM 570 OD1 ASN A 40 8.544 -1.482 -8.705 1.00 4.11 O ATOM 571 ND2 ASN A 40 8.895 -2.027 -10.796 1.00 3.19 N ATOM 0 H ASN A 40 6.353 -4.018 -9.006 1.00 1.33 H new ATOM 0 HA ASN A 40 5.899 -1.298 -8.117 1.00 1.30 H new ATOM 0 HB2 ASN A 40 6.421 -2.632 -10.816 1.00 1.62 H new ATOM 0 HB3 ASN A 40 6.313 -0.897 -10.597 1.00 1.62 H new ATOM 0 HD21 ASN A 40 9.904 -1.984 -10.655 1.00 3.19 H new ATOM 0 HD22 ASN A 40 8.517 -2.269 -11.712 1.00 3.19 H new ATOM 578 N TRP A 41 3.394 -2.900 -9.357 1.00 0.85 N ATOM 579 CA TRP A 41 1.940 -2.727 -9.303 1.00 0.66 C ATOM 580 C TRP A 41 1.557 -2.077 -7.971 1.00 0.53 C ATOM 581 O TRP A 41 0.851 -1.072 -7.955 1.00 0.48 O ATOM 582 CB TRP A 41 1.204 -4.060 -9.490 1.00 0.67 C ATOM 583 CG TRP A 41 -0.275 -3.951 -9.285 1.00 0.56 C ATOM 584 CD1 TRP A 41 -1.172 -3.696 -10.258 1.00 0.55 C ATOM 585 CD2 TRP A 41 -1.046 -3.998 -8.041 1.00 0.59 C ATOM 586 NE1 TRP A 41 -2.437 -3.584 -9.722 1.00 0.58 N ATOM 587 CE2 TRP A 41 -2.409 -3.713 -8.348 1.00 0.63 C ATOM 588 CE3 TRP A 41 -0.728 -4.219 -6.682 1.00 0.72 C ATOM 589 CZ2 TRP A 41 -3.387 -3.613 -7.351 1.00 0.84 C ATOM 590 CZ3 TRP A 41 -1.705 -4.106 -5.672 1.00 0.89 C ATOM 591 CH2 TRP A 41 -3.035 -3.798 -6.006 1.00 0.96 C ATOM 0 H TRP A 41 3.709 -3.867 -9.442 1.00 0.85 H new ATOM 0 HA TRP A 41 1.637 -2.078 -10.124 1.00 0.66 H new ATOM 0 HB2 TRP A 41 1.398 -4.437 -10.494 1.00 0.67 H new ATOM 0 HB3 TRP A 41 1.608 -4.792 -8.791 1.00 0.67 H new ATOM 0 HD1 TRP A 41 -0.934 -3.594 -11.307 1.00 0.55 H new ATOM 0 HE1 TRP A 41 -3.283 -3.426 -10.269 1.00 0.58 H new ATOM 0 HE3 TRP A 41 0.285 -4.480 -6.411 1.00 0.72 H new ATOM 0 HZ2 TRP A 41 -4.410 -3.394 -7.617 1.00 0.84 H new ATOM 0 HZ3 TRP A 41 -1.431 -4.257 -4.638 1.00 0.89 H new ATOM 0 HH2 TRP A 41 -3.782 -3.704 -5.231 1.00 0.96 H new ATOM 602 N LEU A 42 2.099 -2.583 -6.854 1.00 0.65 N ATOM 603 CA LEU A 42 1.824 -2.042 -5.521 1.00 0.69 C ATOM 604 C LEU A 42 2.380 -0.617 -5.351 1.00 0.51 C ATOM 605 O LEU A 42 1.725 0.213 -4.718 1.00 0.57 O ATOM 606 CB LEU A 42 2.314 -3.052 -4.469 1.00 1.18 C ATOM 607 CG LEU A 42 1.934 -2.682 -3.020 1.00 1.67 C ATOM 608 CD1 LEU A 42 1.658 -3.960 -2.230 1.00 1.98 C ATOM 609 CD2 LEU A 42 3.059 -1.924 -2.310 1.00 2.34 C ATOM 0 H LEU A 42 2.739 -3.377 -6.852 1.00 0.65 H new ATOM 0 HA LEU A 42 0.751 -1.918 -5.378 1.00 0.69 H new ATOM 0 HB2 LEU A 42 1.902 -4.034 -4.703 1.00 1.18 H new ATOM 0 HB3 LEU A 42 3.398 -3.137 -4.539 1.00 1.18 H new ATOM 0 HG LEU A 42 1.053 -2.042 -3.066 1.00 1.67 H new ATOM 0 HD11 LEU A 42 1.389 -3.703 -1.205 1.00 1.98 H new ATOM 0 HD12 LEU A 42 0.837 -4.505 -2.695 1.00 1.98 H new ATOM 0 HD13 LEU A 42 2.551 -4.585 -2.225 1.00 1.98 H new ATOM 0 HD21 LEU A 42 2.750 -1.683 -1.293 1.00 2.34 H new ATOM 0 HD22 LEU A 42 3.954 -2.546 -2.280 1.00 2.34 H new ATOM 0 HD23 LEU A 42 3.275 -1.003 -2.851 1.00 2.34 H new ATOM 621 N VAL A 43 3.528 -0.299 -5.966 1.00 0.61 N ATOM 622 CA VAL A 43 4.083 1.066 -5.951 1.00 0.72 C ATOM 623 C VAL A 43 3.228 2.066 -6.753 1.00 0.77 C ATOM 624 O VAL A 43 3.093 3.212 -6.322 1.00 0.99 O ATOM 625 CB VAL A 43 5.588 1.099 -6.330 1.00 0.94 C ATOM 626 CG1 VAL A 43 6.437 0.012 -5.657 1.00 3.31 C ATOM 627 CG2 VAL A 43 5.944 1.334 -7.799 1.00 2.44 C ATOM 0 H VAL A 43 4.094 -0.971 -6.483 1.00 0.61 H new ATOM 0 HA VAL A 43 4.032 1.408 -4.917 1.00 0.72 H new ATOM 0 HB VAL A 43 5.889 2.043 -5.875 1.00 0.94 H new ATOM 0 HG11 VAL A 43 7.474 0.109 -5.978 1.00 3.31 H new ATOM 0 HG12 VAL A 43 6.380 0.124 -4.574 1.00 3.31 H new ATOM 0 HG13 VAL A 43 6.060 -0.971 -5.940 1.00 3.31 H new ATOM 0 HG21 VAL A 43 7.028 1.332 -7.916 1.00 2.44 H new ATOM 0 HG22 VAL A 43 5.512 0.541 -8.409 1.00 2.44 H new ATOM 0 HG23 VAL A 43 5.546 2.297 -8.120 1.00 2.44 H new ATOM 637 N ARG A 44 2.577 1.646 -7.853 1.00 0.66 N ATOM 638 CA ARG A 44 1.565 2.457 -8.567 1.00 0.70 C ATOM 639 C ARG A 44 0.257 2.566 -7.779 1.00 0.68 C ATOM 640 O ARG A 44 -0.246 3.672 -7.591 1.00 0.87 O ATOM 641 CB ARG A 44 1.350 1.836 -9.961 1.00 0.71 C ATOM 642 CG ARG A 44 0.217 2.460 -10.793 1.00 1.48 C ATOM 643 CD ARG A 44 0.433 3.943 -11.108 1.00 2.40 C ATOM 644 NE ARG A 44 -0.673 4.464 -11.925 1.00 3.27 N ATOM 645 CZ ARG A 44 -0.697 5.663 -12.534 1.00 4.13 C ATOM 646 NH1 ARG A 44 0.332 6.520 -12.442 1.00 4.68 N ATOM 647 NH2 ARG A 44 -1.779 6.009 -13.245 1.00 5.13 N ATOM 0 H ARG A 44 2.736 0.732 -8.276 1.00 0.66 H new ATOM 0 HA ARG A 44 1.926 3.480 -8.675 1.00 0.70 H new ATOM 0 HB2 ARG A 44 2.280 1.919 -10.524 1.00 0.71 H new ATOM 0 HB3 ARG A 44 1.145 0.772 -9.839 1.00 0.71 H new ATOM 0 HG2 ARG A 44 0.119 1.909 -11.728 1.00 1.48 H new ATOM 0 HG3 ARG A 44 -0.724 2.345 -10.255 1.00 1.48 H new ATOM 0 HD2 ARG A 44 0.506 4.511 -10.180 1.00 2.40 H new ATOM 0 HD3 ARG A 44 1.377 4.074 -11.637 1.00 2.40 H new ATOM 0 HE ARG A 44 -1.491 3.866 -12.040 1.00 3.27 H new ATOM 0 HH11 ARG A 44 1.159 6.268 -11.900 1.00 4.68 H new ATOM 0 HH12 ARG A 44 0.287 7.423 -12.914 1.00 4.68 H new ATOM 0 HH21 ARG A 44 -2.568 5.367 -13.318 1.00 5.13 H new ATOM 0 HH22 ARG A 44 -1.813 6.915 -13.713 1.00 5.13 H new ATOM 661 N TRP A 45 -0.273 1.437 -7.299 1.00 0.56 N ATOM 662 CA TRP A 45 -1.506 1.342 -6.508 1.00 0.62 C ATOM 663 C TRP A 45 -1.501 2.320 -5.332 1.00 0.73 C ATOM 664 O TRP A 45 -2.435 3.100 -5.172 1.00 0.88 O ATOM 665 CB TRP A 45 -1.661 -0.101 -5.999 1.00 0.58 C ATOM 666 CG TRP A 45 -2.745 -0.319 -4.985 1.00 0.70 C ATOM 667 CD1 TRP A 45 -2.566 -0.677 -3.690 1.00 0.90 C ATOM 668 CD2 TRP A 45 -4.184 -0.154 -5.153 1.00 0.82 C ATOM 669 NE1 TRP A 45 -3.795 -0.760 -3.059 1.00 1.08 N ATOM 670 CE2 TRP A 45 -4.826 -0.430 -3.909 1.00 1.05 C ATOM 671 CE3 TRP A 45 -5.007 0.225 -6.233 1.00 0.92 C ATOM 672 CZ2 TRP A 45 -6.215 -0.333 -3.740 1.00 1.27 C ATOM 673 CZ3 TRP A 45 -6.399 0.346 -6.070 1.00 1.18 C ATOM 674 CH2 TRP A 45 -7.005 0.065 -4.832 1.00 1.33 C ATOM 0 H TRP A 45 0.162 0.528 -7.456 1.00 0.56 H new ATOM 0 HA TRP A 45 -2.349 1.608 -7.145 1.00 0.62 H new ATOM 0 HB2 TRP A 45 -1.852 -0.750 -6.854 1.00 0.58 H new ATOM 0 HB3 TRP A 45 -0.713 -0.417 -5.564 1.00 0.58 H new ATOM 0 HD1 TRP A 45 -1.611 -0.868 -3.223 1.00 0.90 H new ATOM 0 HE1 TRP A 45 -3.921 -1.032 -2.084 1.00 1.08 H new ATOM 0 HE3 TRP A 45 -4.563 0.425 -7.197 1.00 0.92 H new ATOM 0 HZ2 TRP A 45 -6.670 -0.560 -2.787 1.00 1.27 H new ATOM 0 HZ3 TRP A 45 -7.009 0.658 -6.905 1.00 1.18 H new ATOM 0 HH2 TRP A 45 -8.075 0.155 -4.721 1.00 1.33 H new ATOM 685 N LEU A 46 -0.410 2.343 -4.563 1.00 0.75 N ATOM 686 CA LEU A 46 -0.261 3.212 -3.396 1.00 0.97 C ATOM 687 C LEU A 46 -0.214 4.715 -3.746 1.00 1.08 C ATOM 688 O LEU A 46 -0.571 5.544 -2.906 1.00 1.29 O ATOM 689 CB LEU A 46 0.982 2.718 -2.635 1.00 1.21 C ATOM 690 CG LEU A 46 1.313 3.483 -1.346 1.00 1.18 C ATOM 691 CD1 LEU A 46 0.131 3.568 -0.373 1.00 2.49 C ATOM 692 CD2 LEU A 46 2.450 2.771 -0.614 1.00 1.92 C ATOM 0 H LEU A 46 0.403 1.752 -4.736 1.00 0.75 H new ATOM 0 HA LEU A 46 -1.144 3.142 -2.760 1.00 0.97 H new ATOM 0 HB2 LEU A 46 0.841 1.666 -2.387 1.00 1.21 H new ATOM 0 HB3 LEU A 46 1.842 2.775 -3.302 1.00 1.21 H new ATOM 0 HG LEU A 46 1.583 4.494 -1.651 1.00 1.18 H new ATOM 0 HD11 LEU A 46 0.431 4.121 0.517 1.00 2.49 H new ATOM 0 HD12 LEU A 46 -0.701 4.081 -0.855 1.00 2.49 H new ATOM 0 HD13 LEU A 46 -0.179 2.563 -0.088 1.00 2.49 H new ATOM 0 HD21 LEU A 46 2.688 3.312 0.302 1.00 1.92 H new ATOM 0 HD22 LEU A 46 2.143 1.755 -0.366 1.00 1.92 H new ATOM 0 HD23 LEU A 46 3.331 2.738 -1.255 1.00 1.92 H new ATOM 704 N LYS A 47 0.177 5.090 -4.971 1.00 1.03 N ATOM 705 CA LYS A 47 0.216 6.489 -5.409 1.00 1.13 C ATOM 706 C LYS A 47 -1.136 7.007 -5.930 1.00 1.21 C ATOM 707 O LYS A 47 -1.339 8.220 -5.898 1.00 1.61 O ATOM 708 CB LYS A 47 1.401 6.691 -6.384 1.00 1.15 C ATOM 709 CG LYS A 47 1.746 8.186 -6.537 1.00 1.48 C ATOM 710 CD LYS A 47 3.220 8.519 -6.831 1.00 1.58 C ATOM 711 CE LYS A 47 3.675 8.263 -8.275 1.00 2.19 C ATOM 712 NZ LYS A 47 4.981 8.923 -8.550 1.00 2.66 N ATOM 0 H LYS A 47 0.476 4.428 -5.688 1.00 1.03 H new ATOM 0 HA LYS A 47 0.397 7.121 -4.540 1.00 1.13 H new ATOM 0 HB2 LYS A 47 2.273 6.149 -6.018 1.00 1.15 H new ATOM 0 HB3 LYS A 47 1.150 6.271 -7.358 1.00 1.15 H new ATOM 0 HG2 LYS A 47 1.135 8.598 -7.341 1.00 1.48 H new ATOM 0 HG3 LYS A 47 1.455 8.700 -5.621 1.00 1.48 H new ATOM 0 HD2 LYS A 47 3.392 9.569 -6.594 1.00 1.58 H new ATOM 0 HD3 LYS A 47 3.848 7.933 -6.160 1.00 1.58 H new ATOM 0 HE2 LYS A 47 3.763 7.190 -8.447 1.00 2.19 H new ATOM 0 HE3 LYS A 47 2.922 8.637 -8.969 1.00 2.19 H new ATOM 0 HZ1 LYS A 47 5.176 8.895 -9.571 1.00 2.66 H new ATOM 0 HZ2 LYS A 47 4.944 9.912 -8.232 1.00 2.66 H new ATOM 0 HZ3 LYS A 47 5.737 8.423 -8.039 1.00 2.66 H new ATOM 726 N VAL A 48 -2.059 6.138 -6.378 1.00 0.87 N ATOM 727 CA VAL A 48 -3.359 6.544 -6.969 1.00 0.80 C ATOM 728 C VAL A 48 -4.449 5.433 -6.961 1.00 0.74 C ATOM 729 O VAL A 48 -4.912 4.981 -8.013 1.00 0.80 O ATOM 730 CB VAL A 48 -3.101 7.152 -8.370 1.00 0.86 C ATOM 731 CG1 VAL A 48 -2.648 6.163 -9.452 1.00 1.55 C ATOM 732 CG2 VAL A 48 -4.295 7.979 -8.836 1.00 1.61 C ATOM 0 H VAL A 48 -1.929 5.127 -6.343 1.00 0.87 H new ATOM 0 HA VAL A 48 -3.798 7.307 -6.326 1.00 0.80 H new ATOM 0 HB VAL A 48 -2.239 7.804 -8.230 1.00 0.86 H new ATOM 0 HG11 VAL A 48 -2.497 6.695 -10.391 1.00 1.55 H new ATOM 0 HG12 VAL A 48 -1.713 5.693 -9.147 1.00 1.55 H new ATOM 0 HG13 VAL A 48 -3.412 5.397 -9.588 1.00 1.55 H new ATOM 0 HG21 VAL A 48 -4.087 8.394 -9.822 1.00 1.61 H new ATOM 0 HG22 VAL A 48 -5.179 7.344 -8.889 1.00 1.61 H new ATOM 0 HG23 VAL A 48 -4.473 8.791 -8.131 1.00 1.61 H new ATOM 742 N PRO A 49 -4.932 4.974 -5.790 1.00 0.71 N ATOM 743 CA PRO A 49 -5.853 3.831 -5.721 1.00 0.71 C ATOM 744 C PRO A 49 -7.207 4.072 -6.423 1.00 0.91 C ATOM 745 O PRO A 49 -7.724 3.182 -7.101 1.00 1.16 O ATOM 746 CB PRO A 49 -6.004 3.520 -4.228 1.00 0.78 C ATOM 747 CG PRO A 49 -5.673 4.846 -3.539 1.00 0.92 C ATOM 748 CD PRO A 49 -4.603 5.446 -4.452 1.00 0.79 C ATOM 0 HA PRO A 49 -5.448 2.981 -6.270 1.00 0.71 H new ATOM 0 HB2 PRO A 49 -7.014 3.187 -3.990 1.00 0.78 H new ATOM 0 HB3 PRO A 49 -5.325 2.727 -3.915 1.00 0.78 H new ATOM 0 HG2 PRO A 49 -6.548 5.492 -3.463 1.00 0.92 H new ATOM 0 HG3 PRO A 49 -5.301 4.693 -2.526 1.00 0.92 H new ATOM 0 HD2 PRO A 49 -4.612 6.535 -4.406 1.00 0.79 H new ATOM 0 HD3 PRO A 49 -3.606 5.122 -4.155 1.00 0.79 H new ATOM 756 N ASP A 50 -7.766 5.286 -6.344 1.00 0.96 N ATOM 757 CA ASP A 50 -9.054 5.609 -6.983 1.00 1.14 C ATOM 758 C ASP A 50 -8.991 5.559 -8.522 1.00 1.16 C ATOM 759 O ASP A 50 -9.926 5.059 -9.149 1.00 1.23 O ATOM 760 CB ASP A 50 -9.553 6.975 -6.490 1.00 1.43 C ATOM 761 CG ASP A 50 -10.928 7.333 -7.070 1.00 1.94 C ATOM 762 OD1 ASP A 50 -11.922 6.627 -6.764 1.00 2.48 O ATOM 763 OD2 ASP A 50 -11.020 8.318 -7.839 1.00 3.18 O ATOM 0 H ASP A 50 -7.345 6.067 -5.841 1.00 0.96 H new ATOM 0 HA ASP A 50 -9.767 4.839 -6.688 1.00 1.14 H new ATOM 0 HB2 ASP A 50 -9.610 6.968 -5.402 1.00 1.43 H new ATOM 0 HB3 ASP A 50 -8.832 7.745 -6.766 1.00 1.43 H new ATOM 768 N GLN A 51 -7.889 6.010 -9.142 1.00 1.16 N ATOM 769 CA GLN A 51 -7.759 5.987 -10.606 1.00 1.21 C ATOM 770 C GLN A 51 -7.500 4.564 -11.131 1.00 1.08 C ATOM 771 O GLN A 51 -8.025 4.190 -12.175 1.00 1.13 O ATOM 772 CB GLN A 51 -6.668 6.960 -11.085 1.00 1.41 C ATOM 773 CG GLN A 51 -6.931 7.424 -12.529 1.00 1.74 C ATOM 774 CD GLN A 51 -5.657 7.755 -13.299 1.00 2.54 C ATOM 775 OE1 GLN A 51 -5.018 6.869 -13.851 1.00 4.10 O ATOM 776 NE2 GLN A 51 -5.235 8.994 -13.392 1.00 2.88 N ATOM 0 H GLN A 51 -7.079 6.393 -8.654 1.00 1.16 H new ATOM 0 HA GLN A 51 -8.711 6.321 -11.020 1.00 1.21 H new ATOM 0 HB2 GLN A 51 -6.632 7.825 -10.423 1.00 1.41 H new ATOM 0 HB3 GLN A 51 -5.694 6.475 -11.028 1.00 1.41 H new ATOM 0 HG2 GLN A 51 -7.476 6.643 -13.060 1.00 1.74 H new ATOM 0 HG3 GLN A 51 -7.574 8.304 -12.509 1.00 1.74 H new ATOM 0 HE21 GLN A 51 -5.755 9.745 -12.938 1.00 2.88 H new ATOM 0 HE22 GLN A 51 -4.387 9.206 -13.918 1.00 2.88 H new ATOM 785 N MET A 52 -6.764 3.736 -10.385 1.00 0.96 N ATOM 786 CA MET A 52 -6.549 2.324 -10.708 1.00 0.84 C ATOM 787 C MET A 52 -7.848 1.493 -10.636 1.00 0.75 C ATOM 788 O MET A 52 -8.048 0.596 -11.459 1.00 0.80 O ATOM 789 CB MET A 52 -5.505 1.790 -9.711 1.00 0.74 C ATOM 790 CG MET A 52 -4.071 2.212 -10.037 1.00 1.76 C ATOM 791 SD MET A 52 -3.313 1.398 -11.468 1.00 1.95 S ATOM 792 CE MET A 52 -2.989 -0.225 -10.733 1.00 1.30 C ATOM 0 H MET A 52 -6.295 4.032 -9.529 1.00 0.96 H new ATOM 0 HA MET A 52 -6.200 2.235 -11.737 1.00 0.84 H new ATOM 0 HB2 MET A 52 -5.759 2.140 -8.710 1.00 0.74 H new ATOM 0 HB3 MET A 52 -5.558 0.701 -9.691 1.00 0.74 H new ATOM 0 HG2 MET A 52 -4.059 3.289 -10.207 1.00 1.76 H new ATOM 0 HG3 MET A 52 -3.449 2.021 -9.163 1.00 1.76 H new ATOM 0 HE1 MET A 52 -2.378 -0.817 -11.414 1.00 1.30 H new ATOM 0 HE2 MET A 52 -2.460 -0.098 -9.789 1.00 1.30 H new ATOM 0 HE3 MET A 52 -3.934 -0.738 -10.553 1.00 1.30 H new ATOM 802 N LEU A 53 -8.765 1.805 -9.709 1.00 0.74 N ATOM 803 CA LEU A 53 -10.127 1.242 -9.728 1.00 0.76 C ATOM 804 C LEU A 53 -11.008 1.854 -10.829 1.00 0.87 C ATOM 805 O LEU A 53 -11.868 1.157 -11.367 1.00 0.86 O ATOM 806 CB LEU A 53 -10.799 1.378 -8.348 1.00 0.83 C ATOM 807 CG LEU A 53 -10.222 0.464 -7.252 1.00 1.29 C ATOM 808 CD1 LEU A 53 -10.910 0.761 -5.917 1.00 1.95 C ATOM 809 CD2 LEU A 53 -10.385 -1.032 -7.532 1.00 2.11 C ATOM 0 H LEU A 53 -8.590 2.445 -8.934 1.00 0.74 H new ATOM 0 HA LEU A 53 -10.023 0.183 -9.962 1.00 0.76 H new ATOM 0 HB2 LEU A 53 -10.713 2.414 -8.019 1.00 0.83 H new ATOM 0 HB3 LEU A 53 -11.863 1.165 -8.456 1.00 0.83 H new ATOM 0 HG LEU A 53 -9.154 0.681 -7.226 1.00 1.29 H new ATOM 0 HD11 LEU A 53 -10.499 0.112 -5.144 1.00 1.95 H new ATOM 0 HD12 LEU A 53 -10.741 1.803 -5.644 1.00 1.95 H new ATOM 0 HD13 LEU A 53 -11.981 0.580 -6.011 1.00 1.95 H new ATOM 0 HD21 LEU A 53 -9.952 -1.605 -6.712 1.00 2.11 H new ATOM 0 HD22 LEU A 53 -11.444 -1.272 -7.623 1.00 2.11 H new ATOM 0 HD23 LEU A 53 -9.875 -1.286 -8.461 1.00 2.11 H new ATOM 821 N ALA A 54 -10.809 3.125 -11.198 1.00 0.99 N ATOM 822 CA ALA A 54 -11.534 3.747 -12.312 1.00 1.12 C ATOM 823 C ALA A 54 -11.164 3.097 -13.658 1.00 1.15 C ATOM 824 O ALA A 54 -12.054 2.734 -14.432 1.00 1.32 O ATOM 825 CB ALA A 54 -11.275 5.261 -12.333 1.00 1.44 C ATOM 0 H ALA A 54 -10.146 3.747 -10.736 1.00 0.99 H new ATOM 0 HA ALA A 54 -12.601 3.582 -12.160 1.00 1.12 H new ATOM 0 HB1 ALA A 54 -11.818 5.712 -13.164 1.00 1.44 H new ATOM 0 HB2 ALA A 54 -11.615 5.701 -11.396 1.00 1.44 H new ATOM 0 HB3 ALA A 54 -10.208 5.446 -12.454 1.00 1.44 H new ATOM 831 N GLU A 55 -9.870 2.864 -13.906 1.00 1.13 N ATOM 832 CA GLU A 55 -9.329 2.260 -15.136 1.00 1.21 C ATOM 833 C GLU A 55 -9.602 0.748 -15.264 1.00 1.19 C ATOM 834 O GLU A 55 -9.281 0.141 -16.291 1.00 1.45 O ATOM 835 CB GLU A 55 -7.830 2.605 -15.260 1.00 1.28 C ATOM 836 CG GLU A 55 -6.824 1.651 -14.607 1.00 1.34 C ATOM 837 CD GLU A 55 -5.388 2.062 -14.965 1.00 1.91 C ATOM 838 OE1 GLU A 55 -4.992 3.222 -14.689 1.00 2.30 O ATOM 839 OE2 GLU A 55 -4.653 1.250 -15.581 1.00 2.96 O ATOM 0 H GLU A 55 -9.141 3.099 -13.232 1.00 1.13 H new ATOM 0 HA GLU A 55 -9.865 2.696 -15.979 1.00 1.21 H new ATOM 0 HB2 GLU A 55 -7.588 2.673 -16.321 1.00 1.28 H new ATOM 0 HB3 GLU A 55 -7.678 3.597 -14.834 1.00 1.28 H new ATOM 0 HG2 GLU A 55 -6.953 1.661 -13.525 1.00 1.34 H new ATOM 0 HG3 GLU A 55 -7.011 0.630 -14.941 1.00 1.34 H new ATOM 846 N LYS A 56 -10.197 0.140 -14.228 1.00 1.08 N ATOM 847 CA LYS A 56 -10.414 -1.306 -14.087 1.00 1.08 C ATOM 848 C LYS A 56 -9.113 -2.100 -14.245 1.00 1.10 C ATOM 849 O LYS A 56 -9.025 -2.991 -15.088 1.00 1.65 O ATOM 850 CB LYS A 56 -11.536 -1.804 -15.022 1.00 1.44 C ATOM 851 CG LYS A 56 -12.842 -1.001 -14.953 1.00 2.19 C ATOM 852 CD LYS A 56 -13.898 -1.653 -15.855 1.00 2.88 C ATOM 853 CE LYS A 56 -15.119 -0.745 -16.024 1.00 3.89 C ATOM 854 NZ LYS A 56 -16.114 -1.371 -16.924 1.00 4.74 N ATOM 0 H LYS A 56 -10.556 0.666 -13.431 1.00 1.08 H new ATOM 0 HA LYS A 56 -10.755 -1.488 -13.068 1.00 1.08 H new ATOM 0 HB2 LYS A 56 -11.169 -1.784 -16.048 1.00 1.44 H new ATOM 0 HB3 LYS A 56 -11.754 -2.845 -14.781 1.00 1.44 H new ATOM 0 HG2 LYS A 56 -13.202 -0.962 -13.925 1.00 2.19 H new ATOM 0 HG3 LYS A 56 -12.665 0.027 -15.268 1.00 2.19 H new ATOM 0 HD2 LYS A 56 -13.463 -1.868 -16.831 1.00 2.88 H new ATOM 0 HD3 LYS A 56 -14.207 -2.607 -15.427 1.00 2.88 H new ATOM 0 HE2 LYS A 56 -15.572 -0.551 -15.052 1.00 3.89 H new ATOM 0 HE3 LYS A 56 -14.809 0.218 -16.429 1.00 3.89 H new ATOM 0 HZ1 LYS A 56 -16.935 -0.740 -17.026 1.00 4.74 H new ATOM 0 HZ2 LYS A 56 -15.684 -1.534 -17.857 1.00 4.74 H new ATOM 0 HZ3 LYS A 56 -16.423 -2.279 -16.522 1.00 4.74 H new ATOM 868 N ASP A 57 -8.095 -1.771 -13.449 1.00 0.86 N ATOM 869 CA ASP A 57 -6.893 -2.593 -13.290 1.00 0.90 C ATOM 870 C ASP A 57 -7.279 -3.778 -12.402 1.00 0.84 C ATOM 871 O ASP A 57 -7.524 -3.622 -11.203 1.00 0.85 O ATOM 872 CB ASP A 57 -5.730 -1.770 -12.720 1.00 0.98 C ATOM 873 CG ASP A 57 -4.433 -2.573 -12.802 1.00 1.29 C ATOM 874 OD1 ASP A 57 -4.196 -3.451 -11.940 1.00 2.46 O ATOM 875 OD2 ASP A 57 -3.659 -2.371 -13.771 1.00 1.99 O ATOM 0 H ASP A 57 -8.081 -0.918 -12.890 1.00 0.86 H new ATOM 0 HA ASP A 57 -6.534 -2.961 -14.251 1.00 0.90 H new ATOM 0 HB2 ASP A 57 -5.626 -0.838 -13.276 1.00 0.98 H new ATOM 0 HB3 ASP A 57 -5.937 -1.502 -11.684 1.00 0.98 H new ATOM 880 N PRO A 58 -7.455 -4.962 -12.997 1.00 0.90 N ATOM 881 CA PRO A 58 -8.319 -5.996 -12.435 1.00 1.01 C ATOM 882 C PRO A 58 -7.758 -6.653 -11.173 1.00 1.15 C ATOM 883 O PRO A 58 -8.516 -7.180 -10.359 1.00 1.91 O ATOM 884 CB PRO A 58 -8.482 -6.967 -13.591 1.00 1.19 C ATOM 885 CG PRO A 58 -7.189 -6.828 -14.393 1.00 1.20 C ATOM 886 CD PRO A 58 -6.969 -5.341 -14.318 1.00 1.02 C ATOM 0 HA PRO A 58 -9.267 -5.594 -12.077 1.00 1.01 H new ATOM 0 HB2 PRO A 58 -8.620 -7.988 -13.235 1.00 1.19 H new ATOM 0 HB3 PRO A 58 -9.354 -6.720 -14.197 1.00 1.19 H new ATOM 0 HG2 PRO A 58 -6.366 -7.390 -13.951 1.00 1.20 H new ATOM 0 HG3 PRO A 58 -7.300 -7.178 -15.419 1.00 1.20 H new ATOM 0 HD2 PRO A 58 -5.915 -5.090 -14.440 1.00 1.02 H new ATOM 0 HD3 PRO A 58 -7.514 -4.820 -15.105 1.00 1.02 H new ATOM 894 N LEU A 59 -6.445 -6.559 -10.977 1.00 0.75 N ATOM 895 CA LEU A 59 -5.771 -6.932 -9.728 1.00 0.74 C ATOM 896 C LEU A 59 -6.190 -6.025 -8.552 1.00 0.74 C ATOM 897 O LEU A 59 -6.379 -6.523 -7.445 1.00 0.91 O ATOM 898 CB LEU A 59 -4.249 -6.945 -9.969 1.00 0.77 C ATOM 899 CG LEU A 59 -3.394 -7.382 -8.761 1.00 0.95 C ATOM 900 CD1 LEU A 59 -3.775 -8.764 -8.221 1.00 1.14 C ATOM 901 CD2 LEU A 59 -1.919 -7.443 -9.168 1.00 1.66 C ATOM 0 H LEU A 59 -5.805 -6.216 -11.693 1.00 0.75 H new ATOM 0 HA LEU A 59 -6.080 -7.935 -9.433 1.00 0.74 H new ATOM 0 HB2 LEU A 59 -4.036 -7.612 -10.804 1.00 0.77 H new ATOM 0 HB3 LEU A 59 -3.937 -5.945 -10.271 1.00 0.77 H new ATOM 0 HG LEU A 59 -3.574 -6.643 -7.980 1.00 0.95 H new ATOM 0 HD11 LEU A 59 -3.137 -9.012 -7.373 1.00 1.14 H new ATOM 0 HD12 LEU A 59 -4.817 -8.755 -7.901 1.00 1.14 H new ATOM 0 HD13 LEU A 59 -3.643 -9.510 -9.005 1.00 1.14 H new ATOM 0 HD21 LEU A 59 -1.318 -7.752 -8.313 1.00 1.66 H new ATOM 0 HD22 LEU A 59 -1.794 -8.162 -9.978 1.00 1.66 H new ATOM 0 HD23 LEU A 59 -1.593 -6.459 -9.504 1.00 1.66 H new ATOM 913 N ALA A 60 -6.450 -4.730 -8.775 1.00 0.64 N ATOM 914 CA ALA A 60 -7.053 -3.868 -7.750 1.00 0.66 C ATOM 915 C ALA A 60 -8.513 -4.252 -7.472 1.00 0.63 C ATOM 916 O ALA A 60 -8.932 -4.317 -6.317 1.00 0.71 O ATOM 917 CB ALA A 60 -6.974 -2.401 -8.181 1.00 0.69 C ATOM 0 H ALA A 60 -6.252 -4.256 -9.656 1.00 0.64 H new ATOM 0 HA ALA A 60 -6.488 -4.008 -6.828 1.00 0.66 H new ATOM 0 HB1 ALA A 60 -7.424 -1.772 -7.413 1.00 0.69 H new ATOM 0 HB2 ALA A 60 -5.930 -2.117 -8.317 1.00 0.69 H new ATOM 0 HB3 ALA A 60 -7.511 -2.268 -9.120 1.00 0.69 H new ATOM 923 N MET A 61 -9.267 -4.570 -8.530 1.00 0.59 N ATOM 924 CA MET A 61 -10.677 -4.976 -8.447 1.00 0.64 C ATOM 925 C MET A 61 -10.868 -6.308 -7.700 1.00 0.71 C ATOM 926 O MET A 61 -11.940 -6.548 -7.145 1.00 0.77 O ATOM 927 CB MET A 61 -11.289 -5.081 -9.855 1.00 0.77 C ATOM 928 CG MET A 61 -10.986 -3.921 -10.816 1.00 0.74 C ATOM 929 SD MET A 61 -11.732 -2.327 -10.413 1.00 1.60 S ATOM 930 CE MET A 61 -13.414 -2.662 -10.974 1.00 1.81 C ATOM 0 H MET A 61 -8.910 -4.553 -9.485 1.00 0.59 H new ATOM 0 HA MET A 61 -11.191 -4.203 -7.876 1.00 0.64 H new ATOM 0 HB2 MET A 61 -10.938 -6.006 -10.313 1.00 0.77 H new ATOM 0 HB3 MET A 61 -12.371 -5.167 -9.753 1.00 0.77 H new ATOM 0 HG2 MET A 61 -9.905 -3.790 -10.863 1.00 0.74 H new ATOM 0 HG3 MET A 61 -11.316 -4.210 -11.814 1.00 0.74 H new ATOM 0 HE1 MET A 61 -13.697 -1.931 -11.731 1.00 1.81 H new ATOM 0 HE2 MET A 61 -13.463 -3.664 -11.401 1.00 1.81 H new ATOM 0 HE3 MET A 61 -14.100 -2.594 -10.129 1.00 1.81 H new ATOM 940 N LEU A 62 -9.836 -7.156 -7.647 1.00 0.79 N ATOM 941 CA LEU A 62 -9.733 -8.271 -6.701 1.00 1.01 C ATOM 942 C LEU A 62 -9.353 -7.815 -5.292 1.00 1.08 C ATOM 943 O LEU A 62 -9.988 -8.240 -4.324 1.00 1.26 O ATOM 944 CB LEU A 62 -8.645 -9.253 -7.152 1.00 1.24 C ATOM 945 CG LEU A 62 -8.928 -10.073 -8.419 1.00 1.47 C ATOM 946 CD1 LEU A 62 -7.734 -10.988 -8.685 1.00 2.56 C ATOM 947 CD2 LEU A 62 -10.183 -10.939 -8.301 1.00 2.35 C ATOM 0 H LEU A 62 -9.034 -7.085 -8.273 1.00 0.79 H new ATOM 0 HA LEU A 62 -10.719 -8.736 -6.681 1.00 1.01 H new ATOM 0 HB2 LEU A 62 -7.725 -8.690 -7.311 1.00 1.24 H new ATOM 0 HB3 LEU A 62 -8.456 -9.948 -6.334 1.00 1.24 H new ATOM 0 HG LEU A 62 -9.091 -9.367 -9.233 1.00 1.47 H new ATOM 0 HD11 LEU A 62 -7.920 -11.578 -9.583 1.00 2.56 H new ATOM 0 HD12 LEU A 62 -6.838 -10.384 -8.827 1.00 2.56 H new ATOM 0 HD13 LEU A 62 -7.591 -11.656 -7.836 1.00 2.56 H new ATOM 0 HD21 LEU A 62 -10.330 -11.494 -9.227 1.00 2.35 H new ATOM 0 HD22 LEU A 62 -10.066 -11.638 -7.473 1.00 2.35 H new ATOM 0 HD23 LEU A 62 -11.049 -10.302 -8.118 1.00 2.35 H new ATOM 959 N LEU A 63 -8.286 -7.012 -5.168 1.00 1.03 N ATOM 960 CA LEU A 63 -7.587 -6.792 -3.906 1.00 1.22 C ATOM 961 C LEU A 63 -8.470 -6.021 -2.926 1.00 1.24 C ATOM 962 O LEU A 63 -8.540 -6.367 -1.745 1.00 1.41 O ATOM 963 CB LEU A 63 -6.251 -6.092 -4.249 1.00 1.32 C ATOM 964 CG LEU A 63 -5.268 -5.763 -3.112 1.00 1.50 C ATOM 965 CD1 LEU A 63 -5.669 -4.522 -2.320 1.00 2.60 C ATOM 966 CD2 LEU A 63 -5.072 -6.948 -2.168 1.00 2.14 C ATOM 0 H LEU A 63 -7.885 -6.495 -5.951 1.00 1.03 H new ATOM 0 HA LEU A 63 -7.363 -7.726 -3.390 1.00 1.22 H new ATOM 0 HB2 LEU A 63 -5.725 -6.721 -4.967 1.00 1.32 H new ATOM 0 HB3 LEU A 63 -6.490 -5.158 -4.758 1.00 1.32 H new ATOM 0 HG LEU A 63 -4.318 -5.547 -3.601 1.00 1.50 H new ATOM 0 HD11 LEU A 63 -4.938 -4.341 -1.532 1.00 2.60 H new ATOM 0 HD12 LEU A 63 -5.705 -3.661 -2.987 1.00 2.60 H new ATOM 0 HD13 LEU A 63 -6.652 -4.677 -1.874 1.00 2.60 H new ATOM 0 HD21 LEU A 63 -4.371 -6.673 -1.380 1.00 2.14 H new ATOM 0 HD22 LEU A 63 -6.029 -7.221 -1.723 1.00 2.14 H new ATOM 0 HD23 LEU A 63 -4.676 -7.796 -2.726 1.00 2.14 H new ATOM 978 N PHE A 64 -9.205 -5.030 -3.429 1.00 1.08 N ATOM 979 CA PHE A 64 -10.064 -4.202 -2.574 1.00 1.07 C ATOM 980 C PHE A 64 -11.282 -4.981 -2.045 1.00 1.11 C ATOM 981 O PHE A 64 -11.739 -4.743 -0.926 1.00 1.26 O ATOM 982 CB PHE A 64 -10.430 -2.880 -3.274 1.00 0.93 C ATOM 983 CG PHE A 64 -11.823 -2.813 -3.876 1.00 0.75 C ATOM 984 CD1 PHE A 64 -12.911 -2.439 -3.069 1.00 2.08 C ATOM 985 CD2 PHE A 64 -12.038 -3.111 -5.232 1.00 1.84 C ATOM 986 CE1 PHE A 64 -14.201 -2.349 -3.615 1.00 2.00 C ATOM 987 CE2 PHE A 64 -13.328 -3.014 -5.783 1.00 1.93 C ATOM 988 CZ PHE A 64 -14.413 -2.637 -4.973 1.00 0.75 C ATOM 0 H PHE A 64 -9.225 -4.780 -4.418 1.00 1.08 H new ATOM 0 HA PHE A 64 -9.495 -3.931 -1.685 1.00 1.07 H new ATOM 0 HB2 PHE A 64 -10.327 -2.069 -2.553 1.00 0.93 H new ATOM 0 HB3 PHE A 64 -9.704 -2.697 -4.066 1.00 0.93 H new ATOM 0 HD1 PHE A 64 -12.754 -2.220 -2.023 1.00 2.08 H new ATOM 0 HD2 PHE A 64 -11.209 -3.416 -5.854 1.00 1.84 H new ATOM 0 HE1 PHE A 64 -15.032 -2.058 -2.990 1.00 2.00 H new ATOM 0 HE2 PHE A 64 -13.485 -3.229 -6.830 1.00 1.93 H new ATOM 0 HZ PHE A 64 -15.406 -2.569 -5.393 1.00 0.75 H new ATOM 998 N GLU A 65 -11.796 -5.951 -2.815 1.00 1.09 N ATOM 999 CA GLU A 65 -12.929 -6.777 -2.376 1.00 1.23 C ATOM 1000 C GLU A 65 -12.595 -7.810 -1.285 1.00 1.41 C ATOM 1001 O GLU A 65 -13.505 -8.223 -0.559 1.00 1.46 O ATOM 1002 CB GLU A 65 -13.639 -7.441 -3.568 1.00 1.25 C ATOM 1003 CG GLU A 65 -14.370 -6.421 -4.453 1.00 2.10 C ATOM 1004 CD GLU A 65 -15.605 -7.042 -5.111 1.00 2.14 C ATOM 1005 OE1 GLU A 65 -15.485 -7.853 -6.062 1.00 2.19 O ATOM 1006 OE2 GLU A 65 -16.737 -6.729 -4.669 1.00 3.29 O ATOM 0 H GLU A 65 -11.445 -6.182 -3.744 1.00 1.09 H new ATOM 0 HA GLU A 65 -13.614 -6.074 -1.902 1.00 1.23 H new ATOM 0 HB2 GLU A 65 -12.907 -7.981 -4.169 1.00 1.25 H new ATOM 0 HB3 GLU A 65 -14.354 -8.176 -3.199 1.00 1.25 H new ATOM 0 HG2 GLU A 65 -14.668 -5.562 -3.852 1.00 2.10 H new ATOM 0 HG3 GLU A 65 -13.692 -6.052 -5.222 1.00 2.10 H new ATOM 1013 N GLN A 66 -11.327 -8.204 -1.103 1.00 1.58 N ATOM 1014 CA GLN A 66 -10.936 -9.186 -0.072 1.00 1.77 C ATOM 1015 C GLN A 66 -10.927 -8.640 1.363 1.00 1.72 C ATOM 1016 O GLN A 66 -10.815 -9.428 2.304 1.00 1.95 O ATOM 1017 CB GLN A 66 -9.551 -9.796 -0.388 1.00 2.24 C ATOM 1018 CG GLN A 66 -9.522 -10.773 -1.571 1.00 2.49 C ATOM 1019 CD GLN A 66 -10.280 -12.078 -1.309 1.00 2.76 C ATOM 1020 OE1 GLN A 66 -9.934 -12.864 -0.429 1.00 3.46 O ATOM 1021 NE2 GLN A 66 -11.326 -12.364 -2.051 1.00 3.32 N ATOM 0 H GLN A 66 -10.546 -7.856 -1.660 1.00 1.58 H new ATOM 0 HA GLN A 66 -11.713 -9.950 -0.111 1.00 1.77 H new ATOM 0 HB2 GLN A 66 -8.852 -8.985 -0.590 1.00 2.24 H new ATOM 0 HB3 GLN A 66 -9.189 -10.315 0.500 1.00 2.24 H new ATOM 0 HG2 GLN A 66 -9.950 -10.284 -2.446 1.00 2.49 H new ATOM 0 HG3 GLN A 66 -8.485 -11.007 -1.812 1.00 2.49 H new ATOM 0 HE21 GLN A 66 -11.623 -11.720 -2.784 1.00 3.32 H new ATOM 0 HE22 GLN A 66 -11.841 -13.230 -1.894 1.00 3.32 H new ATOM 1030 N TYR A 67 -11.039 -7.320 1.540 1.00 1.62 N ATOM 1031 CA TYR A 67 -10.888 -6.663 2.837 1.00 1.71 C ATOM 1032 C TYR A 67 -12.035 -5.673 3.074 1.00 1.80 C ATOM 1033 O TYR A 67 -11.931 -4.474 2.811 1.00 2.05 O ATOM 1034 CB TYR A 67 -9.488 -6.041 2.904 1.00 1.63 C ATOM 1035 CG TYR A 67 -8.364 -7.048 2.690 1.00 1.49 C ATOM 1036 CD1 TYR A 67 -8.180 -8.098 3.615 1.00 2.50 C ATOM 1037 CD2 TYR A 67 -7.554 -6.989 1.536 1.00 1.87 C ATOM 1038 CE1 TYR A 67 -7.241 -9.115 3.356 1.00 2.55 C ATOM 1039 CE2 TYR A 67 -6.581 -7.982 1.298 1.00 1.75 C ATOM 1040 CZ TYR A 67 -6.454 -9.069 2.184 1.00 1.45 C ATOM 1041 OH TYR A 67 -5.583 -10.076 1.905 1.00 1.68 O ATOM 0 H TYR A 67 -11.239 -6.673 0.777 1.00 1.62 H new ATOM 0 HA TYR A 67 -10.961 -7.378 3.656 1.00 1.71 H new ATOM 0 HB2 TYR A 67 -9.411 -5.257 2.151 1.00 1.63 H new ATOM 0 HB3 TYR A 67 -9.357 -5.564 3.875 1.00 1.63 H new ATOM 0 HD1 TYR A 67 -8.761 -8.122 4.525 1.00 2.50 H new ATOM 0 HD2 TYR A 67 -7.680 -6.180 0.832 1.00 1.87 H new ATOM 0 HE1 TYR A 67 -7.123 -9.931 4.054 1.00 2.55 H new ATOM 0 HE2 TYR A 67 -5.934 -7.909 0.437 1.00 1.75 H new ATOM 0 HH TYR A 67 -5.123 -9.886 1.061 1.00 1.68 H new ATOM 1051 N ASN A 68 -13.178 -6.220 3.505 1.00 2.05 N ATOM 1052 CA ASN A 68 -14.442 -5.521 3.761 1.00 2.14 C ATOM 1053 C ASN A 68 -14.975 -4.675 2.579 1.00 1.55 C ATOM 1054 O ASN A 68 -15.773 -3.762 2.797 1.00 1.53 O ATOM 1055 CB ASN A 68 -14.322 -4.746 5.095 1.00 2.69 C ATOM 1056 CG ASN A 68 -15.672 -4.403 5.709 1.00 3.32 C ATOM 1057 OD1 ASN A 68 -16.445 -5.280 6.079 1.00 3.75 O ATOM 1058 ND2 ASN A 68 -16.002 -3.145 5.868 1.00 4.06 N ATOM 0 H ASN A 68 -13.249 -7.220 3.695 1.00 2.05 H new ATOM 0 HA ASN A 68 -15.225 -6.272 3.861 1.00 2.14 H new ATOM 0 HB2 ASN A 68 -13.748 -5.342 5.804 1.00 2.69 H new ATOM 0 HB3 ASN A 68 -13.762 -3.826 4.925 1.00 2.69 H new ATOM 0 HD21 ASN A 68 -16.895 -2.902 6.296 1.00 4.06 H new ATOM 0 HD22 ASN A 68 -15.366 -2.408 5.563 1.00 4.06 H new ATOM 1065 N ARG A 69 -14.548 -4.937 1.329 1.00 1.27 N ATOM 1066 CA ARG A 69 -14.815 -4.068 0.154 1.00 1.03 C ATOM 1067 C ARG A 69 -14.353 -2.600 0.340 1.00 1.00 C ATOM 1068 O ARG A 69 -14.923 -1.709 -0.296 1.00 1.58 O ATOM 1069 CB ARG A 69 -16.307 -4.140 -0.279 1.00 1.35 C ATOM 1070 CG ARG A 69 -17.071 -5.463 -0.087 1.00 2.21 C ATOM 1071 CD ARG A 69 -16.507 -6.639 -0.887 1.00 3.02 C ATOM 1072 NE ARG A 69 -17.181 -7.888 -0.499 1.00 4.53 N ATOM 1073 CZ ARG A 69 -17.324 -8.994 -1.253 1.00 5.66 C ATOM 1074 NH1 ARG A 69 -16.848 -9.067 -2.505 1.00 5.72 N ATOM 1075 NH2 ARG A 69 -17.961 -10.051 -0.732 1.00 7.23 N ATOM 0 H ARG A 69 -14.001 -5.766 1.098 1.00 1.27 H new ATOM 0 HA ARG A 69 -14.201 -4.470 -0.652 1.00 1.03 H new ATOM 0 HB2 ARG A 69 -16.847 -3.365 0.265 1.00 1.35 H new ATOM 0 HB3 ARG A 69 -16.357 -3.880 -1.336 1.00 1.35 H new ATOM 0 HG2 ARG A 69 -17.064 -5.723 0.972 1.00 2.21 H new ATOM 0 HG3 ARG A 69 -18.112 -5.312 -0.371 1.00 2.21 H new ATOM 0 HD2 ARG A 69 -16.642 -6.461 -1.954 1.00 3.02 H new ATOM 0 HD3 ARG A 69 -15.435 -6.726 -0.712 1.00 3.02 H new ATOM 0 HE ARG A 69 -17.581 -7.919 0.439 1.00 4.53 H new ATOM 0 HH11 ARG A 69 -16.361 -8.269 -2.913 1.00 5.72 H new ATOM 0 HH12 ARG A 69 -16.973 -9.920 -3.049 1.00 5.72 H new ATOM 0 HH21 ARG A 69 -18.327 -10.008 0.219 1.00 7.23 H new ATOM 0 HH22 ARG A 69 -18.080 -10.899 -1.286 1.00 7.23 H new ATOM 1089 N LEU A 70 -13.377 -2.311 1.214 1.00 0.97 N ATOM 1090 CA LEU A 70 -13.174 -0.970 1.806 1.00 1.00 C ATOM 1091 C LEU A 70 -12.864 0.156 0.791 1.00 1.04 C ATOM 1092 O LEU A 70 -13.326 1.284 0.985 1.00 2.14 O ATOM 1093 CB LEU A 70 -12.112 -1.088 2.921 1.00 1.37 C ATOM 1094 CG LEU A 70 -11.900 0.198 3.759 1.00 1.69 C ATOM 1095 CD1 LEU A 70 -11.560 -0.125 5.213 1.00 2.54 C ATOM 1096 CD2 LEU A 70 -10.759 1.068 3.218 1.00 3.40 C ATOM 0 H LEU A 70 -12.699 -3.002 1.535 1.00 0.97 H new ATOM 0 HA LEU A 70 -14.125 -0.647 2.229 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -12.399 -1.898 3.592 1.00 1.37 H new ATOM 0 HB3 LEU A 70 -11.161 -1.370 2.469 1.00 1.37 H new ATOM 0 HG LEU A 70 -12.845 0.738 3.693 1.00 1.69 H new ATOM 0 HD11 LEU A 70 -11.419 0.802 5.768 1.00 2.54 H new ATOM 0 HD12 LEU A 70 -12.375 -0.695 5.659 1.00 2.54 H new ATOM 0 HD13 LEU A 70 -10.643 -0.713 5.250 1.00 2.54 H new ATOM 0 HD21 LEU A 70 -10.652 1.956 3.841 1.00 3.40 H new ATOM 0 HD22 LEU A 70 -9.829 0.500 3.234 1.00 3.40 H new ATOM 0 HD23 LEU A 70 -10.984 1.367 2.194 1.00 3.40 H new ATOM 1108 N ALA A 71 -12.145 -0.144 -0.297 1.00 0.84 N ATOM 1109 CA ALA A 71 -11.829 0.773 -1.404 1.00 0.91 C ATOM 1110 C ALA A 71 -11.035 2.031 -0.969 1.00 1.33 C ATOM 1111 O ALA A 71 -11.541 3.158 -1.031 1.00 2.63 O ATOM 1112 CB ALA A 71 -13.111 1.092 -2.195 1.00 1.05 C ATOM 0 H ALA A 71 -11.749 -1.073 -0.438 1.00 0.84 H new ATOM 0 HA ALA A 71 -11.138 0.262 -2.074 1.00 0.91 H new ATOM 0 HB1 ALA A 71 -12.874 1.771 -3.014 1.00 1.05 H new ATOM 0 HB2 ALA A 71 -13.529 0.169 -2.598 1.00 1.05 H new ATOM 0 HB3 ALA A 71 -13.839 1.562 -1.534 1.00 1.05 H new ATOM 1118 N MET A 72 -9.801 1.839 -0.490 1.00 0.60 N ATOM 1119 CA MET A 72 -8.950 2.870 0.128 1.00 0.65 C ATOM 1120 C MET A 72 -8.818 4.173 -0.716 1.00 0.65 C ATOM 1121 O MET A 72 -8.654 4.103 -1.937 1.00 0.61 O ATOM 1122 CB MET A 72 -7.578 2.227 0.420 1.00 0.79 C ATOM 1123 CG MET A 72 -6.647 3.092 1.279 1.00 1.25 C ATOM 1124 SD MET A 72 -5.091 2.289 1.800 1.00 1.25 S ATOM 1125 CE MET A 72 -4.228 2.208 0.208 1.00 1.20 C ATOM 0 H MET A 72 -9.347 0.926 -0.522 1.00 0.60 H new ATOM 0 HA MET A 72 -9.423 3.205 1.051 1.00 0.65 H new ATOM 0 HB2 MET A 72 -7.736 1.273 0.923 1.00 0.79 H new ATOM 0 HB3 MET A 72 -7.083 2.010 -0.526 1.00 0.79 H new ATOM 0 HG2 MET A 72 -6.401 3.995 0.721 1.00 1.25 H new ATOM 0 HG3 MET A 72 -7.190 3.406 2.170 1.00 1.25 H new ATOM 0 HE1 MET A 72 -3.172 1.995 0.377 1.00 1.20 H new ATOM 0 HE2 MET A 72 -4.664 1.418 -0.403 1.00 1.20 H new ATOM 0 HE3 MET A 72 -4.328 3.162 -0.309 1.00 1.20 H new ATOM 1135 N PRO A 73 -8.901 5.374 -0.100 1.00 0.81 N ATOM 1136 CA PRO A 73 -8.666 6.653 -0.779 1.00 0.87 C ATOM 1137 C PRO A 73 -7.168 6.965 -0.959 1.00 0.84 C ATOM 1138 O PRO A 73 -6.311 6.319 -0.358 1.00 0.86 O ATOM 1139 CB PRO A 73 -9.375 7.697 0.094 1.00 1.05 C ATOM 1140 CG PRO A 73 -9.213 7.126 1.498 1.00 1.12 C ATOM 1141 CD PRO A 73 -9.344 5.620 1.270 1.00 1.03 C ATOM 0 HA PRO A 73 -9.055 6.641 -1.797 1.00 0.87 H new ATOM 0 HB2 PRO A 73 -8.916 8.681 0.002 1.00 1.05 H new ATOM 0 HB3 PRO A 73 -10.424 7.808 -0.179 1.00 1.05 H new ATOM 0 HG2 PRO A 73 -8.247 7.387 1.931 1.00 1.12 H new ATOM 0 HG3 PRO A 73 -9.979 7.500 2.177 1.00 1.12 H new ATOM 0 HD2 PRO A 73 -8.734 5.064 1.982 1.00 1.03 H new ATOM 0 HD3 PRO A 73 -10.374 5.293 1.410 1.00 1.03 H new ATOM 1149 N ASN A 74 -6.845 7.974 -1.773 1.00 0.90 N ATOM 1150 CA ASN A 74 -5.479 8.469 -1.966 1.00 0.97 C ATOM 1151 C ASN A 74 -5.081 9.427 -0.821 1.00 1.07 C ATOM 1152 O ASN A 74 -5.710 10.466 -0.619 1.00 1.85 O ATOM 1153 CB ASN A 74 -5.397 9.123 -3.360 1.00 1.05 C ATOM 1154 CG ASN A 74 -3.986 9.509 -3.768 1.00 1.30 C ATOM 1155 OD1 ASN A 74 -3.010 9.239 -3.084 1.00 1.93 O ATOM 1156 ND2 ASN A 74 -3.840 10.135 -4.908 1.00 1.76 N ATOM 0 H ASN A 74 -7.538 8.479 -2.326 1.00 0.90 H new ATOM 0 HA ASN A 74 -4.760 7.651 -1.930 1.00 0.97 H new ATOM 0 HB2 ASN A 74 -5.805 8.434 -4.100 1.00 1.05 H new ATOM 0 HB3 ASN A 74 -6.026 10.013 -3.372 1.00 1.05 H new ATOM 0 HD21 ASN A 74 -2.909 10.400 -5.229 1.00 1.76 H new ATOM 0 HD22 ASN A 74 -4.658 10.358 -5.476 1.00 1.76 H new ATOM 1163 N MET A 75 -4.040 9.094 -0.053 1.00 1.11 N ATOM 1164 CA MET A 75 -3.761 9.694 1.262 1.00 1.33 C ATOM 1165 C MET A 75 -2.610 10.715 1.246 1.00 1.64 C ATOM 1166 O MET A 75 -1.708 10.672 2.083 1.00 2.89 O ATOM 1167 CB MET A 75 -3.586 8.581 2.305 1.00 1.61 C ATOM 1168 CG MET A 75 -4.914 7.862 2.565 1.00 1.69 C ATOM 1169 SD MET A 75 -4.807 6.515 3.768 1.00 2.52 S ATOM 1170 CE MET A 75 -6.551 6.042 3.793 1.00 3.76 C ATOM 0 H MET A 75 -3.355 8.390 -0.328 1.00 1.11 H new ATOM 0 HA MET A 75 -4.623 10.295 1.550 1.00 1.33 H new ATOM 0 HB2 MET A 75 -2.842 7.865 1.957 1.00 1.61 H new ATOM 0 HB3 MET A 75 -3.209 9.005 3.236 1.00 1.61 H new ATOM 0 HG2 MET A 75 -5.645 8.590 2.916 1.00 1.69 H new ATOM 0 HG3 MET A 75 -5.289 7.463 1.622 1.00 1.69 H new ATOM 0 HE1 MET A 75 -6.730 5.354 4.620 1.00 3.76 H new ATOM 0 HE2 MET A 75 -7.167 6.932 3.922 1.00 3.76 H new ATOM 0 HE3 MET A 75 -6.809 5.554 2.853 1.00 3.76 H new ATOM 1180 N ARG A 76 -2.648 11.655 0.288 1.00 1.22 N ATOM 1181 CA ARG A 76 -1.792 12.865 0.224 1.00 1.50 C ATOM 1182 C ARG A 76 -0.267 12.635 0.250 1.00 1.31 C ATOM 1183 O ARG A 76 0.488 13.569 0.514 1.00 1.50 O ATOM 1184 CB ARG A 76 -2.254 13.893 1.283 1.00 2.24 C ATOM 1185 CG ARG A 76 -3.698 14.380 1.086 1.00 2.95 C ATOM 1186 CD ARG A 76 -4.067 15.383 2.187 1.00 4.24 C ATOM 1187 NE ARG A 76 -5.399 15.971 1.970 1.00 4.93 N ATOM 1188 CZ ARG A 76 -5.656 17.153 1.378 1.00 5.32 C ATOM 1189 NH1 ARG A 76 -4.674 17.930 0.892 1.00 5.26 N ATOM 1190 NH2 ARG A 76 -6.926 17.565 1.273 1.00 6.48 N ATOM 0 H ARG A 76 -3.298 11.597 -0.496 1.00 1.22 H new ATOM 0 HA ARG A 76 -1.944 13.268 -0.777 1.00 1.50 H new ATOM 0 HB2 ARG A 76 -2.163 13.446 2.273 1.00 2.24 H new ATOM 0 HB3 ARG A 76 -1.584 14.752 1.258 1.00 2.24 H new ATOM 0 HG2 ARG A 76 -3.803 14.847 0.107 1.00 2.95 H new ATOM 0 HG3 ARG A 76 -4.383 13.533 1.110 1.00 2.95 H new ATOM 0 HD2 ARG A 76 -4.044 14.884 3.156 1.00 4.24 H new ATOM 0 HD3 ARG A 76 -3.321 16.177 2.220 1.00 4.24 H new ATOM 0 HE ARG A 76 -6.201 15.434 2.298 1.00 4.93 H new ATOM 0 HH11 ARG A 76 -3.702 17.630 0.966 1.00 5.26 H new ATOM 0 HH12 ARG A 76 -4.900 18.820 0.449 1.00 5.26 H new ATOM 0 HH21 ARG A 76 -7.682 16.986 1.639 1.00 6.48 H new ATOM 0 HH22 ARG A 76 -7.137 18.458 0.827 1.00 6.48 H new ATOM 1204 N LEU A 77 0.221 11.422 -0.022 1.00 1.23 N ATOM 1205 CA LEU A 77 1.659 11.130 -0.031 1.00 1.27 C ATOM 1206 C LEU A 77 2.365 11.892 -1.170 1.00 1.33 C ATOM 1207 O LEU A 77 1.942 11.815 -2.329 1.00 1.48 O ATOM 1208 CB LEU A 77 1.897 9.611 -0.162 1.00 1.38 C ATOM 1209 CG LEU A 77 1.380 8.734 0.995 1.00 1.41 C ATOM 1210 CD1 LEU A 77 1.621 7.260 0.660 1.00 1.77 C ATOM 1211 CD2 LEU A 77 2.088 9.033 2.319 1.00 2.60 C ATOM 0 H LEU A 77 -0.366 10.617 -0.241 1.00 1.23 H new ATOM 0 HA LEU A 77 2.084 11.467 0.914 1.00 1.27 H new ATOM 0 HB2 LEU A 77 1.428 9.270 -1.085 1.00 1.38 H new ATOM 0 HB3 LEU A 77 2.968 9.441 -0.267 1.00 1.38 H new ATOM 0 HG LEU A 77 0.319 8.955 1.111 1.00 1.41 H new ATOM 0 HD11 LEU A 77 1.256 6.637 1.477 1.00 1.77 H new ATOM 0 HD12 LEU A 77 1.090 7.004 -0.257 1.00 1.77 H new ATOM 0 HD13 LEU A 77 2.688 7.088 0.521 1.00 1.77 H new ATOM 0 HD21 LEU A 77 1.686 8.388 3.100 1.00 2.60 H new ATOM 0 HD22 LEU A 77 3.157 8.848 2.210 1.00 2.60 H new ATOM 0 HD23 LEU A 77 1.926 10.076 2.591 1.00 2.60 H new ATOM 1223 N GLY A 78 3.458 12.593 -0.857 1.00 1.39 N ATOM 1224 CA GLY A 78 4.374 13.125 -1.875 1.00 1.54 C ATOM 1225 C GLY A 78 5.067 12.001 -2.659 1.00 1.14 C ATOM 1226 O GLY A 78 5.180 10.878 -2.170 1.00 0.88 O ATOM 0 H GLY A 78 3.733 12.808 0.101 1.00 1.39 H new ATOM 0 HA2 GLY A 78 3.821 13.762 -2.565 1.00 1.54 H new ATOM 0 HA3 GLY A 78 5.126 13.752 -1.396 1.00 1.54 H new ATOM 1230 N ASP A 79 5.565 12.267 -3.866 1.00 1.27 N ATOM 1231 CA ASP A 79 6.248 11.257 -4.697 1.00 1.23 C ATOM 1232 C ASP A 79 7.506 10.682 -4.008 1.00 1.05 C ATOM 1233 O ASP A 79 7.797 9.483 -4.114 1.00 1.27 O ATOM 1234 CB ASP A 79 6.612 11.870 -6.058 1.00 1.49 C ATOM 1235 CG ASP A 79 5.377 12.356 -6.818 1.00 3.10 C ATOM 1236 OD1 ASP A 79 4.768 11.554 -7.561 1.00 3.84 O ATOM 1237 OD2 ASP A 79 4.985 13.539 -6.644 1.00 4.47 O ATOM 0 H ASP A 79 5.510 13.187 -4.302 1.00 1.27 H new ATOM 0 HA ASP A 79 5.560 10.424 -4.841 1.00 1.23 H new ATOM 0 HB2 ASP A 79 7.297 12.705 -5.908 1.00 1.49 H new ATOM 0 HB3 ASP A 79 7.139 11.130 -6.659 1.00 1.49 H new ATOM 1242 N ALA A 80 8.212 11.512 -3.235 1.00 1.05 N ATOM 1243 CA ALA A 80 9.333 11.116 -2.388 1.00 1.02 C ATOM 1244 C ALA A 80 8.882 10.397 -1.099 1.00 0.89 C ATOM 1245 O ALA A 80 9.649 9.612 -0.539 1.00 0.99 O ATOM 1246 CB ALA A 80 10.149 12.373 -2.068 1.00 1.21 C ATOM 0 H ALA A 80 8.010 12.510 -3.182 1.00 1.05 H new ATOM 0 HA ALA A 80 9.944 10.391 -2.925 1.00 1.02 H new ATOM 0 HB1 ALA A 80 10.995 12.106 -1.435 1.00 1.21 H new ATOM 0 HB2 ALA A 80 10.515 12.815 -2.995 1.00 1.21 H new ATOM 0 HB3 ALA A 80 9.518 13.093 -1.546 1.00 1.21 H new ATOM 1252 N GLU A 81 7.645 10.620 -0.643 1.00 0.81 N ATOM 1253 CA GLU A 81 7.048 9.916 0.501 1.00 0.77 C ATOM 1254 C GLU A 81 6.547 8.520 0.106 1.00 0.72 C ATOM 1255 O GLU A 81 6.822 7.566 0.827 1.00 0.76 O ATOM 1256 CB GLU A 81 5.931 10.739 1.166 1.00 0.87 C ATOM 1257 CG GLU A 81 6.417 12.117 1.643 1.00 1.62 C ATOM 1258 CD GLU A 81 5.373 12.850 2.494 1.00 1.58 C ATOM 1259 OE1 GLU A 81 4.171 12.868 2.141 1.00 1.81 O ATOM 1260 OE2 GLU A 81 5.750 13.403 3.560 1.00 2.49 O ATOM 0 H GLU A 81 7.019 11.306 -1.064 1.00 0.81 H new ATOM 0 HA GLU A 81 7.839 9.788 1.240 1.00 0.77 H new ATOM 0 HB2 GLU A 81 5.112 10.871 0.459 1.00 0.87 H new ATOM 0 HB3 GLU A 81 5.532 10.184 2.015 1.00 0.87 H new ATOM 0 HG2 GLU A 81 7.332 11.994 2.223 1.00 1.62 H new ATOM 0 HG3 GLU A 81 6.668 12.729 0.777 1.00 1.62 H new ATOM 1267 N VAL A 82 5.913 8.342 -1.064 1.00 0.73 N ATOM 1268 CA VAL A 82 5.610 6.997 -1.598 1.00 0.77 C ATOM 1269 C VAL A 82 6.908 6.201 -1.771 1.00 0.83 C ATOM 1270 O VAL A 82 7.002 5.068 -1.300 1.00 0.84 O ATOM 1271 CB VAL A 82 4.819 7.040 -2.925 1.00 0.87 C ATOM 1272 CG1 VAL A 82 4.453 5.624 -3.394 1.00 1.02 C ATOM 1273 CG2 VAL A 82 3.497 7.804 -2.787 1.00 0.91 C ATOM 0 H VAL A 82 5.599 9.108 -1.660 1.00 0.73 H new ATOM 0 HA VAL A 82 4.967 6.500 -0.872 1.00 0.77 H new ATOM 0 HB VAL A 82 5.473 7.541 -3.639 1.00 0.87 H new ATOM 0 HG11 VAL A 82 3.897 5.683 -4.330 1.00 1.02 H new ATOM 0 HG12 VAL A 82 5.364 5.045 -3.549 1.00 1.02 H new ATOM 0 HG13 VAL A 82 3.838 5.137 -2.637 1.00 1.02 H new ATOM 0 HG21 VAL A 82 2.977 7.807 -3.745 1.00 0.91 H new ATOM 0 HG22 VAL A 82 2.873 7.319 -2.037 1.00 0.91 H new ATOM 0 HG23 VAL A 82 3.700 8.830 -2.481 1.00 0.91 H new ATOM 1283 N SER A 83 7.953 6.834 -2.316 1.00 0.88 N ATOM 1284 CA SER A 83 9.292 6.229 -2.432 1.00 0.92 C ATOM 1285 C SER A 83 9.844 5.749 -1.076 1.00 0.87 C ATOM 1286 O SER A 83 10.509 4.712 -1.016 1.00 0.88 O ATOM 1287 CB SER A 83 10.283 7.224 -3.051 1.00 0.99 C ATOM 1288 OG SER A 83 9.848 7.707 -4.314 1.00 2.39 O ATOM 0 H SER A 83 7.898 7.781 -2.690 1.00 0.88 H new ATOM 0 HA SER A 83 9.181 5.359 -3.079 1.00 0.92 H new ATOM 0 HB2 SER A 83 10.421 8.065 -2.372 1.00 0.99 H new ATOM 0 HB3 SER A 83 11.254 6.742 -3.164 1.00 0.99 H new ATOM 0 HG SER A 83 9.189 8.420 -4.182 1.00 2.39 H new ATOM 1294 N ALA A 84 9.532 6.475 0.003 1.00 0.91 N ATOM 1295 CA ALA A 84 9.920 6.169 1.379 1.00 0.90 C ATOM 1296 C ALA A 84 9.037 5.113 2.078 1.00 0.81 C ATOM 1297 O ALA A 84 9.530 4.373 2.934 1.00 0.79 O ATOM 1298 CB ALA A 84 9.913 7.484 2.156 1.00 0.96 C ATOM 0 H ALA A 84 8.978 7.329 -0.065 1.00 0.91 H new ATOM 0 HA ALA A 84 10.910 5.715 1.355 1.00 0.90 H new ATOM 0 HB1 ALA A 84 10.198 7.296 3.191 1.00 0.96 H new ATOM 0 HB2 ALA A 84 10.622 8.177 1.704 1.00 0.96 H new ATOM 0 HB3 ALA A 84 8.913 7.918 2.128 1.00 0.96 H new ATOM 1304 N LEU A 85 7.753 4.998 1.722 1.00 0.82 N ATOM 1305 CA LEU A 85 6.886 3.899 2.176 1.00 0.77 C ATOM 1306 C LEU A 85 7.309 2.558 1.553 1.00 0.66 C ATOM 1307 O LEU A 85 7.196 1.517 2.194 1.00 0.70 O ATOM 1308 CB LEU A 85 5.407 4.197 1.842 1.00 0.93 C ATOM 1309 CG LEU A 85 4.565 4.918 2.912 1.00 0.95 C ATOM 1310 CD1 LEU A 85 4.567 4.198 4.263 1.00 1.87 C ATOM 1311 CD2 LEU A 85 4.960 6.371 3.138 1.00 2.17 C ATOM 0 H LEU A 85 7.282 5.664 1.110 1.00 0.82 H new ATOM 0 HA LEU A 85 6.994 3.820 3.258 1.00 0.77 H new ATOM 0 HB2 LEU A 85 5.383 4.799 0.934 1.00 0.93 H new ATOM 0 HB3 LEU A 85 4.918 3.251 1.611 1.00 0.93 H new ATOM 0 HG LEU A 85 3.559 4.898 2.493 1.00 0.95 H new ATOM 0 HD11 LEU A 85 3.957 4.756 4.973 1.00 1.87 H new ATOM 0 HD12 LEU A 85 4.158 3.195 4.141 1.00 1.87 H new ATOM 0 HD13 LEU A 85 5.588 4.130 4.638 1.00 1.87 H new ATOM 0 HD21 LEU A 85 4.320 6.807 3.905 1.00 2.17 H new ATOM 0 HD22 LEU A 85 6.000 6.419 3.462 1.00 2.17 H new ATOM 0 HD23 LEU A 85 4.843 6.929 2.209 1.00 2.17 H new ATOM 1323 N ILE A 86 7.827 2.582 0.323 1.00 0.62 N ATOM 1324 CA ILE A 86 8.329 1.403 -0.398 1.00 0.65 C ATOM 1325 C ILE A 86 9.633 0.902 0.238 1.00 0.65 C ATOM 1326 O ILE A 86 9.759 -0.294 0.502 1.00 0.74 O ATOM 1327 CB ILE A 86 8.441 1.737 -1.905 1.00 0.76 C ATOM 1328 CG1 ILE A 86 7.139 1.392 -2.656 1.00 1.02 C ATOM 1329 CG2 ILE A 86 9.565 0.964 -2.616 1.00 0.94 C ATOM 1330 CD1 ILE A 86 5.822 1.937 -2.097 1.00 0.83 C ATOM 0 H ILE A 86 7.913 3.444 -0.216 1.00 0.62 H new ATOM 0 HA ILE A 86 7.630 0.571 -0.315 1.00 0.65 H new ATOM 0 HB ILE A 86 8.652 2.806 -1.933 1.00 0.76 H new ATOM 0 HG12 ILE A 86 7.240 1.749 -3.681 1.00 1.02 H new ATOM 0 HG13 ILE A 86 7.058 0.306 -2.703 1.00 1.02 H new ATOM 0 HG21 ILE A 86 9.589 1.244 -3.669 1.00 0.94 H new ATOM 0 HG22 ILE A 86 10.522 1.206 -2.154 1.00 0.94 H new ATOM 0 HG23 ILE A 86 9.381 -0.107 -2.530 1.00 0.94 H new ATOM 0 HD11 ILE A 86 4.996 1.612 -2.730 1.00 0.83 H new ATOM 0 HD12 ILE A 86 5.673 1.561 -1.085 1.00 0.83 H new ATOM 0 HD13 ILE A 86 5.858 3.026 -2.078 1.00 0.83 H new ATOM 1342 N SER A 87 10.570 1.799 0.572 1.00 0.63 N ATOM 1343 CA SER A 87 11.783 1.409 1.305 1.00 0.68 C ATOM 1344 C SER A 87 11.481 0.977 2.745 1.00 0.66 C ATOM 1345 O SER A 87 12.102 0.030 3.226 1.00 0.77 O ATOM 1346 CB SER A 87 12.846 2.510 1.253 1.00 0.79 C ATOM 1347 OG SER A 87 12.383 3.700 1.853 1.00 2.10 O ATOM 0 H SER A 87 10.513 2.793 0.349 1.00 0.63 H new ATOM 0 HA SER A 87 12.191 0.534 0.799 1.00 0.68 H new ATOM 0 HB2 SER A 87 13.748 2.171 1.762 1.00 0.79 H new ATOM 0 HB3 SER A 87 13.119 2.706 0.216 1.00 0.79 H new ATOM 0 HG SER A 87 11.436 3.603 2.084 1.00 2.10 H new ATOM 1353 N TYR A 88 10.475 1.570 3.411 1.00 0.65 N ATOM 1354 CA TYR A 88 9.993 1.071 4.708 1.00 0.74 C ATOM 1355 C TYR A 88 9.467 -0.377 4.610 1.00 0.71 C ATOM 1356 O TYR A 88 9.809 -1.221 5.437 1.00 0.82 O ATOM 1357 CB TYR A 88 8.929 2.036 5.261 1.00 0.89 C ATOM 1358 CG TYR A 88 8.195 1.549 6.500 1.00 1.00 C ATOM 1359 CD1 TYR A 88 8.878 1.438 7.726 1.00 1.46 C ATOM 1360 CD2 TYR A 88 6.835 1.190 6.423 1.00 2.37 C ATOM 1361 CE1 TYR A 88 8.217 0.941 8.866 1.00 1.37 C ATOM 1362 CE2 TYR A 88 6.163 0.717 7.568 1.00 2.57 C ATOM 1363 CZ TYR A 88 6.853 0.584 8.790 1.00 1.33 C ATOM 1364 OH TYR A 88 6.204 0.104 9.885 1.00 1.55 O ATOM 0 H TYR A 88 9.981 2.395 3.071 1.00 0.65 H new ATOM 0 HA TYR A 88 10.831 1.037 5.405 1.00 0.74 H new ATOM 0 HB2 TYR A 88 9.409 2.987 5.493 1.00 0.89 H new ATOM 0 HB3 TYR A 88 8.197 2.232 4.478 1.00 0.89 H new ATOM 0 HD1 TYR A 88 9.914 1.735 7.793 1.00 1.46 H new ATOM 0 HD2 TYR A 88 6.307 1.277 5.485 1.00 2.37 H new ATOM 0 HE1 TYR A 88 8.753 0.833 9.797 1.00 1.37 H new ATOM 0 HE2 TYR A 88 5.117 0.456 7.509 1.00 2.57 H new ATOM 0 HH TYR A 88 5.272 -0.090 9.654 1.00 1.55 H new ATOM 1374 N LEU A 89 8.697 -0.697 3.565 1.00 0.64 N ATOM 1375 CA LEU A 89 8.084 -1.995 3.333 1.00 0.70 C ATOM 1376 C LEU A 89 9.115 -3.087 2.977 1.00 0.73 C ATOM 1377 O LEU A 89 9.043 -4.205 3.499 1.00 0.99 O ATOM 1378 CB LEU A 89 7.057 -1.734 2.218 1.00 0.80 C ATOM 1379 CG LEU A 89 6.167 -2.924 1.900 1.00 1.90 C ATOM 1380 CD1 LEU A 89 5.188 -3.193 3.042 1.00 2.69 C ATOM 1381 CD2 LEU A 89 5.375 -2.652 0.619 1.00 2.62 C ATOM 0 H LEU A 89 8.479 -0.024 2.830 1.00 0.64 H new ATOM 0 HA LEU A 89 7.609 -2.394 4.229 1.00 0.70 H new ATOM 0 HB2 LEU A 89 6.429 -0.892 2.508 1.00 0.80 H new ATOM 0 HB3 LEU A 89 7.587 -1.439 1.313 1.00 0.80 H new ATOM 0 HG LEU A 89 6.805 -3.798 1.767 1.00 1.90 H new ATOM 0 HD11 LEU A 89 4.562 -4.049 2.791 1.00 2.69 H new ATOM 0 HD12 LEU A 89 5.744 -3.406 3.955 1.00 2.69 H new ATOM 0 HD13 LEU A 89 4.559 -2.316 3.196 1.00 2.69 H new ATOM 0 HD21 LEU A 89 4.739 -3.508 0.396 1.00 2.62 H new ATOM 0 HD22 LEU A 89 4.756 -1.766 0.755 1.00 2.62 H new ATOM 0 HD23 LEU A 89 6.066 -2.488 -0.208 1.00 2.62 H new ATOM 1393 N GLU A 90 10.098 -2.764 2.130 1.00 0.63 N ATOM 1394 CA GLU A 90 11.253 -3.628 1.842 1.00 0.67 C ATOM 1395 C GLU A 90 12.115 -3.911 3.086 1.00 0.71 C ATOM 1396 O GLU A 90 12.582 -5.041 3.262 1.00 0.80 O ATOM 1397 CB GLU A 90 12.160 -2.985 0.777 1.00 0.81 C ATOM 1398 CG GLU A 90 11.685 -3.129 -0.675 1.00 1.67 C ATOM 1399 CD GLU A 90 12.798 -2.669 -1.629 1.00 2.01 C ATOM 1400 OE1 GLU A 90 13.659 -3.494 -2.026 1.00 2.27 O ATOM 1401 OE2 GLU A 90 12.902 -1.453 -1.929 1.00 3.34 O ATOM 0 H GLU A 90 10.116 -1.883 1.617 1.00 0.63 H new ATOM 0 HA GLU A 90 10.836 -4.569 1.484 1.00 0.67 H new ATOM 0 HB2 GLU A 90 12.260 -1.924 1.004 1.00 0.81 H new ATOM 0 HB3 GLU A 90 13.154 -3.424 0.860 1.00 0.81 H new ATOM 0 HG2 GLU A 90 11.421 -4.166 -0.881 1.00 1.67 H new ATOM 0 HG3 GLU A 90 10.786 -2.534 -0.835 1.00 1.67 H new ATOM 1408 N GLU A 91 12.366 -2.910 3.936 1.00 0.75 N ATOM 1409 CA GLU A 91 13.268 -3.032 5.091 1.00 0.90 C ATOM 1410 C GLU A 91 12.602 -3.600 6.350 1.00 1.02 C ATOM 1411 O GLU A 91 13.296 -4.220 7.149 1.00 1.24 O ATOM 1412 CB GLU A 91 13.954 -1.692 5.389 1.00 1.05 C ATOM 1413 CG GLU A 91 14.985 -1.293 4.322 1.00 1.33 C ATOM 1414 CD GLU A 91 16.285 -2.102 4.431 1.00 2.40 C ATOM 1415 OE1 GLU A 91 16.392 -3.207 3.838 1.00 3.89 O ATOM 1416 OE2 GLU A 91 17.236 -1.631 5.102 1.00 2.82 O ATOM 0 H GLU A 91 11.947 -1.985 3.843 1.00 0.75 H new ATOM 0 HA GLU A 91 14.021 -3.766 4.803 1.00 0.90 H new ATOM 0 HB2 GLU A 91 13.197 -0.912 5.464 1.00 1.05 H new ATOM 0 HB3 GLU A 91 14.448 -1.751 6.359 1.00 1.05 H new ATOM 0 HG2 GLU A 91 14.553 -1.437 3.332 1.00 1.33 H new ATOM 0 HG3 GLU A 91 15.212 -0.231 4.419 1.00 1.33 H new ATOM 1423 N GLU A 92 11.287 -3.479 6.549 1.00 1.00 N ATOM 1424 CA GLU A 92 10.603 -4.285 7.576 1.00 1.15 C ATOM 1425 C GLU A 92 10.552 -5.761 7.160 1.00 1.18 C ATOM 1426 O GLU A 92 10.918 -6.627 7.951 1.00 1.32 O ATOM 1427 CB GLU A 92 9.200 -3.740 7.901 1.00 1.28 C ATOM 1428 CG GLU A 92 9.204 -2.449 8.738 1.00 2.32 C ATOM 1429 CD GLU A 92 9.737 -2.656 10.165 1.00 2.44 C ATOM 1430 OE1 GLU A 92 10.968 -2.779 10.356 1.00 3.09 O ATOM 1431 OE2 GLU A 92 8.952 -2.674 11.146 1.00 2.90 O ATOM 0 H GLU A 92 10.681 -2.846 6.027 1.00 1.00 H new ATOM 0 HA GLU A 92 11.186 -4.211 8.494 1.00 1.15 H new ATOM 0 HB2 GLU A 92 8.670 -3.553 6.967 1.00 1.28 H new ATOM 0 HB3 GLU A 92 8.640 -4.506 8.438 1.00 1.28 H new ATOM 0 HG2 GLU A 92 9.814 -1.699 8.234 1.00 2.32 H new ATOM 0 HG3 GLU A 92 8.190 -2.053 8.789 1.00 2.32 H new ATOM 1438 N THR A 93 10.208 -6.058 5.900 1.00 1.20 N ATOM 1439 CA THR A 93 10.149 -7.442 5.386 1.00 1.32 C ATOM 1440 C THR A 93 11.493 -8.174 5.516 1.00 1.31 C ATOM 1441 O THR A 93 11.532 -9.347 5.894 1.00 1.48 O ATOM 1442 CB THR A 93 9.667 -7.452 3.924 1.00 1.37 C ATOM 1443 OG1 THR A 93 8.376 -6.879 3.829 1.00 2.02 O ATOM 1444 CG2 THR A 93 9.560 -8.851 3.324 1.00 1.37 C ATOM 0 H THR A 93 9.963 -5.352 5.206 1.00 1.20 H new ATOM 0 HA THR A 93 9.431 -7.983 6.003 1.00 1.32 H new ATOM 0 HB THR A 93 10.418 -6.884 3.375 1.00 1.37 H new ATOM 0 HG1 THR A 93 8.457 -5.912 3.692 1.00 2.02 H new ATOM 0 HG21 THR A 93 9.215 -8.779 2.293 1.00 1.37 H new ATOM 0 HG22 THR A 93 10.538 -9.332 3.347 1.00 1.37 H new ATOM 0 HG23 THR A 93 8.851 -9.442 3.904 1.00 1.37 H new ATOM 1452 N ALA A 94 12.606 -7.485 5.248 1.00 1.19 N ATOM 1453 CA ALA A 94 13.951 -8.055 5.323 1.00 1.30 C ATOM 1454 C ALA A 94 14.553 -8.136 6.744 1.00 1.41 C ATOM 1455 O ALA A 94 15.557 -8.832 6.926 1.00 1.69 O ATOM 1456 CB ALA A 94 14.847 -7.245 4.380 1.00 1.38 C ATOM 0 H ALA A 94 12.596 -6.504 4.970 1.00 1.19 H new ATOM 0 HA ALA A 94 13.885 -9.099 5.018 1.00 1.30 H new ATOM 0 HB1 ALA A 94 15.861 -7.643 4.410 1.00 1.38 H new ATOM 0 HB2 ALA A 94 14.461 -7.313 3.363 1.00 1.38 H new ATOM 0 HB3 ALA A 94 14.857 -6.202 4.695 1.00 1.38 H new ATOM 1462 N ARG A 95 14.024 -7.389 7.730 1.00 1.39 N ATOM 1463 CA ARG A 95 14.711 -7.138 9.022 1.00 1.80 C ATOM 1464 C ARG A 95 13.854 -7.368 10.274 1.00 2.33 C ATOM 1465 O ARG A 95 14.368 -7.160 11.372 1.00 3.14 O ATOM 1466 CB ARG A 95 15.361 -5.737 9.044 1.00 2.38 C ATOM 1467 CG ARG A 95 16.263 -5.440 7.829 1.00 3.33 C ATOM 1468 CD ARG A 95 16.841 -4.020 7.850 1.00 3.85 C ATOM 1469 NE ARG A 95 17.794 -3.819 8.951 1.00 3.80 N ATOM 1470 CZ ARG A 95 18.542 -2.718 9.132 1.00 4.64 C ATOM 1471 NH1 ARG A 95 18.473 -1.672 8.293 1.00 5.46 N ATOM 1472 NH2 ARG A 95 19.378 -2.664 10.179 1.00 5.26 N ATOM 0 H ARG A 95 13.111 -6.941 7.660 1.00 1.39 H new ATOM 0 HA ARG A 95 15.489 -7.900 9.074 1.00 1.80 H new ATOM 0 HB2 ARG A 95 14.574 -4.984 9.091 1.00 2.38 H new ATOM 0 HB3 ARG A 95 15.952 -5.637 9.954 1.00 2.38 H new ATOM 0 HG2 ARG A 95 17.081 -6.160 7.805 1.00 3.33 H new ATOM 0 HG3 ARG A 95 15.689 -5.580 6.913 1.00 3.33 H new ATOM 0 HD2 ARG A 95 17.339 -3.819 6.901 1.00 3.85 H new ATOM 0 HD3 ARG A 95 16.027 -3.301 7.942 1.00 3.85 H new ATOM 0 HE ARG A 95 17.895 -4.574 9.630 1.00 3.80 H new ATOM 0 HH11 ARG A 95 17.840 -1.701 7.493 1.00 5.46 H new ATOM 0 HH12 ARG A 95 19.053 -0.849 8.455 1.00 5.46 H new ATOM 0 HH21 ARG A 95 19.439 -3.452 10.824 1.00 5.26 H new ATOM 0 HH22 ARG A 95 19.953 -1.835 10.330 1.00 5.26 H new ATOM 1486 N LEU A 96 12.588 -7.783 10.144 1.00 2.26 N ATOM 1487 CA LEU A 96 11.624 -7.983 11.248 1.00 3.08 C ATOM 1488 C LEU A 96 12.222 -8.775 12.431 1.00 3.62 C ATOM 1489 O LEU A 96 12.171 -8.306 13.573 1.00 4.99 O ATOM 1490 CB LEU A 96 10.368 -8.676 10.664 1.00 3.37 C ATOM 1491 CG LEU A 96 9.008 -8.427 11.306 1.00 4.37 C ATOM 1492 CD1 LEU A 96 9.016 -8.777 12.773 1.00 4.73 C ATOM 1493 CD2 LEU A 96 8.612 -6.976 11.112 1.00 5.00 C ATOM 0 H LEU A 96 12.185 -7.999 9.232 1.00 2.26 H new ATOM 0 HA LEU A 96 11.356 -7.013 11.668 1.00 3.08 H new ATOM 0 HB2 LEU A 96 10.293 -8.387 9.616 1.00 3.37 H new ATOM 0 HB3 LEU A 96 10.548 -9.751 10.686 1.00 3.37 H new ATOM 0 HG LEU A 96 8.277 -9.072 10.819 1.00 4.37 H new ATOM 0 HD11 LEU A 96 8.030 -8.587 13.198 1.00 4.73 H new ATOM 0 HD12 LEU A 96 9.266 -9.831 12.894 1.00 4.73 H new ATOM 0 HD13 LEU A 96 9.757 -8.166 13.289 1.00 4.73 H new ATOM 0 HD21 LEU A 96 7.639 -6.800 11.572 1.00 5.00 H new ATOM 0 HD22 LEU A 96 9.356 -6.330 11.578 1.00 5.00 H new ATOM 0 HD23 LEU A 96 8.555 -6.754 10.046 1.00 5.00 H new ATOM 1505 N GLN A 97 12.875 -9.903 12.137 1.00 3.19 N ATOM 1506 CA GLN A 97 13.729 -10.682 13.038 1.00 4.16 C ATOM 1507 C GLN A 97 13.068 -11.173 14.347 1.00 4.80 C ATOM 1508 O GLN A 97 13.722 -11.271 15.389 1.00 5.95 O ATOM 1509 CB GLN A 97 15.063 -9.936 13.225 1.00 4.96 C ATOM 1510 CG GLN A 97 16.215 -10.885 13.598 1.00 5.41 C ATOM 1511 CD GLN A 97 16.870 -10.640 14.953 1.00 6.66 C ATOM 1512 OE1 GLN A 97 16.721 -9.618 15.613 1.00 7.69 O ATOM 1513 NE2 GLN A 97 17.675 -11.573 15.403 1.00 7.24 N ATOM 0 H GLN A 97 12.818 -10.322 11.209 1.00 3.19 H new ATOM 0 HA GLN A 97 13.926 -11.639 12.554 1.00 4.16 H new ATOM 0 HB2 GLN A 97 15.314 -9.408 12.305 1.00 4.96 H new ATOM 0 HB3 GLN A 97 14.949 -9.182 14.004 1.00 4.96 H new ATOM 0 HG2 GLN A 97 15.838 -11.908 13.578 1.00 5.41 H new ATOM 0 HG3 GLN A 97 16.982 -10.813 12.827 1.00 5.41 H new ATOM 0 HE21 GLN A 97 17.812 -12.430 14.868 1.00 7.24 H new ATOM 0 HE22 GLN A 97 18.164 -11.441 16.288 1.00 7.24 H new ATOM 1522 N THR A 98 11.773 -11.501 14.313 1.00 4.74 N ATOM 1523 CA THR A 98 11.072 -12.148 15.437 1.00 6.05 C ATOM 1524 C THR A 98 9.891 -13.022 14.981 1.00 6.89 C ATOM 1525 O THR A 98 8.899 -12.514 14.442 1.00 7.27 O ATOM 1526 CB THR A 98 10.640 -11.138 16.514 1.00 6.71 C ATOM 1527 OG1 THR A 98 9.866 -11.808 17.487 1.00 7.64 O ATOM 1528 CG2 THR A 98 9.846 -9.928 16.025 1.00 6.97 C ATOM 0 H THR A 98 11.176 -11.327 13.505 1.00 4.74 H new ATOM 0 HA THR A 98 11.800 -12.818 15.893 1.00 6.05 H new ATOM 0 HB THR A 98 11.574 -10.736 16.907 1.00 6.71 H new ATOM 0 HG1 THR A 98 10.103 -11.477 18.378 1.00 7.64 H new ATOM 0 HG21 THR A 98 9.598 -9.289 16.872 1.00 6.97 H new ATOM 0 HG22 THR A 98 10.445 -9.365 15.309 1.00 6.97 H new ATOM 0 HG23 THR A 98 8.928 -10.265 15.544 1.00 6.97 H new ATOM 1536 N PRO A 99 9.925 -14.337 15.276 1.00 7.74 N ATOM 1537 CA PRO A 99 8.768 -15.230 15.227 1.00 9.07 C ATOM 1538 C PRO A 99 8.110 -15.380 16.622 1.00 10.14 C ATOM 1539 O PRO A 99 7.406 -16.360 16.877 1.00 11.33 O ATOM 1540 CB PRO A 99 9.366 -16.530 14.682 1.00 9.72 C ATOM 1541 CG PRO A 99 10.713 -16.603 15.404 1.00 9.28 C ATOM 1542 CD PRO A 99 11.115 -15.132 15.573 1.00 7.92 C ATOM 0 HA PRO A 99 7.951 -14.868 14.603 1.00 9.07 H new ATOM 0 HB2 PRO A 99 8.738 -17.392 14.907 1.00 9.72 H new ATOM 0 HB3 PRO A 99 9.487 -16.498 13.599 1.00 9.72 H new ATOM 0 HG2 PRO A 99 10.625 -17.107 16.366 1.00 9.28 H new ATOM 0 HG3 PRO A 99 11.450 -17.155 14.821 1.00 9.28 H new ATOM 0 HD2 PRO A 99 11.466 -14.940 16.587 1.00 7.92 H new ATOM 0 HD3 PRO A 99 11.932 -14.874 14.899 1.00 7.92 H new ATOM 1550 N VAL A 100 8.398 -14.456 17.552 1.00 9.94 N ATOM 1551 CA VAL A 100 8.092 -14.539 18.992 1.00 11.01 C ATOM 1552 C VAL A 100 7.046 -13.503 19.429 1.00 11.58 C ATOM 1553 O VAL A 100 6.173 -13.832 20.231 1.00 12.55 O ATOM 1554 CB VAL A 100 9.406 -14.411 19.798 1.00 11.02 C ATOM 1555 CG1 VAL A 100 9.187 -14.264 21.309 1.00 12.12 C ATOM 1556 CG2 VAL A 100 10.296 -15.640 19.574 1.00 11.59 C ATOM 0 H VAL A 100 8.874 -13.587 17.310 1.00 9.94 H new ATOM 0 HA VAL A 100 7.643 -15.511 19.196 1.00 11.01 H new ATOM 0 HB VAL A 100 9.882 -13.501 19.431 1.00 11.02 H new ATOM 0 HG11 VAL A 100 10.151 -14.179 21.810 1.00 12.12 H new ATOM 0 HG12 VAL A 100 8.596 -13.369 21.506 1.00 12.12 H new ATOM 0 HG13 VAL A 100 8.658 -15.139 21.687 1.00 12.12 H new ATOM 0 HG21 VAL A 100 11.216 -15.533 20.149 1.00 11.59 H new ATOM 0 HG22 VAL A 100 9.767 -16.536 19.899 1.00 11.59 H new ATOM 0 HG23 VAL A 100 10.538 -15.726 18.515 1.00 11.59 H new ATOM 1566 N THR A 101 7.044 -12.284 18.873 1.00 11.38 N ATOM 1567 CA THR A 101 6.048 -11.234 19.205 1.00 12.10 C ATOM 1568 C THR A 101 4.596 -11.646 18.928 1.00 13.07 C ATOM 1569 O THR A 101 3.680 -11.191 19.615 1.00 13.80 O ATOM 1570 CB THR A 101 6.332 -9.919 18.460 1.00 11.91 C ATOM 1571 OG1 THR A 101 6.488 -10.155 17.075 1.00 11.83 O ATOM 1572 CG2 THR A 101 7.612 -9.260 18.962 1.00 12.02 C ATOM 0 H THR A 101 7.730 -11.989 18.178 1.00 11.38 H new ATOM 0 HA THR A 101 6.158 -11.088 20.280 1.00 12.10 H new ATOM 0 HB THR A 101 5.481 -9.263 18.645 1.00 11.91 H new ATOM 0 HG1 THR A 101 6.666 -9.307 16.617 1.00 11.83 H new ATOM 0 HG21 THR A 101 7.783 -8.333 18.414 1.00 12.02 H new ATOM 0 HG22 THR A 101 7.515 -9.041 20.025 1.00 12.02 H new ATOM 0 HG23 THR A 101 8.454 -9.934 18.806 1.00 12.02 H new ATOM 1580 N ASN A 102 4.362 -12.564 17.983 1.00 13.57 N ATOM 1581 CA ASN A 102 3.033 -13.133 17.738 1.00 15.02 C ATOM 1582 C ASN A 102 2.575 -14.137 18.815 1.00 16.18 C ATOM 1583 O ASN A 102 1.374 -14.358 18.957 1.00 17.16 O ATOM 1584 CB ASN A 102 2.994 -13.727 16.321 1.00 15.91 C ATOM 1585 CG ASN A 102 2.878 -12.635 15.275 1.00 16.08 C ATOM 1586 OD1 ASN A 102 1.826 -12.043 15.100 1.00 16.38 O ATOM 1587 ND2 ASN A 102 3.951 -12.282 14.611 1.00 16.18 N ATOM 0 H ASN A 102 5.088 -12.932 17.368 1.00 13.57 H new ATOM 0 HA ASN A 102 2.306 -12.324 17.808 1.00 15.02 H new ATOM 0 HB2 ASN A 102 3.897 -14.311 16.143 1.00 15.91 H new ATOM 0 HB3 ASN A 102 2.150 -14.411 16.233 1.00 15.91 H new ATOM 0 HD21 ASN A 102 3.908 -11.510 13.946 1.00 16.18 H new ATOM 0 HD22 ASN A 102 4.829 -12.779 14.760 1.00 16.18 H new ATOM 1594 N ARG A 103 3.490 -14.717 19.608 1.00 16.43 N ATOM 1595 CA ARG A 103 3.178 -15.697 20.670 1.00 17.86 C ATOM 1596 C ARG A 103 3.281 -15.124 22.085 1.00 18.10 C ATOM 1597 O ARG A 103 2.500 -15.512 22.952 1.00 18.89 O ATOM 1598 CB ARG A 103 4.120 -16.911 20.531 1.00 18.62 C ATOM 1599 CG ARG A 103 4.123 -17.592 19.151 1.00 19.46 C ATOM 1600 CD ARG A 103 2.733 -18.061 18.706 1.00 20.35 C ATOM 1601 NE ARG A 103 2.805 -18.807 17.441 1.00 21.06 N ATOM 1602 CZ ARG A 103 1.756 -19.118 16.656 1.00 21.80 C ATOM 1603 NH1 ARG A 103 0.506 -18.743 16.971 1.00 21.93 N ATOM 1604 NH2 ARG A 103 1.963 -19.817 15.532 1.00 22.63 N ATOM 0 H ARG A 103 4.487 -14.517 19.530 1.00 16.43 H new ATOM 0 HA ARG A 103 2.137 -15.990 20.534 1.00 17.86 H new ATOM 0 HB2 ARG A 103 5.136 -16.589 20.760 1.00 18.62 H new ATOM 0 HB3 ARG A 103 3.843 -17.651 21.282 1.00 18.62 H new ATOM 0 HG2 ARG A 103 4.519 -16.897 18.411 1.00 19.46 H new ATOM 0 HG3 ARG A 103 4.797 -18.448 19.177 1.00 19.46 H new ATOM 0 HD2 ARG A 103 2.294 -18.692 19.479 1.00 20.35 H new ATOM 0 HD3 ARG A 103 2.076 -17.199 18.587 1.00 20.35 H new ATOM 0 HE ARG A 103 3.727 -19.115 17.132 1.00 21.06 H new ATOM 0 HH11 ARG A 103 0.333 -18.209 17.823 1.00 21.93 H new ATOM 0 HH12 ARG A 103 -0.271 -18.992 16.359 1.00 21.93 H new ATOM 0 HH21 ARG A 103 2.907 -20.108 15.279 1.00 22.63 H new ATOM 0 HH22 ARG A 103 1.176 -20.058 14.929 1.00 22.63 H new ATOM 1618 N GLY A 104 4.177 -14.162 22.321 1.00 17.62 N ATOM 1619 CA GLY A 104 4.366 -13.535 23.636 1.00 18.00 C ATOM 1620 C GLY A 104 3.148 -12.753 24.151 1.00 18.47 C ATOM 1621 O GLY A 104 2.913 -12.720 25.363 1.00 19.37 O ATOM 0 H GLY A 104 4.797 -13.792 21.601 1.00 17.62 H new ATOM 0 HA2 GLY A 104 4.617 -14.309 24.361 1.00 18.00 H new ATOM 0 HA3 GLY A 104 5.220 -12.859 23.583 1.00 18.00 H new ATOM 1625 N ILE A 105 2.345 -12.175 23.249 1.00 18.18 N ATOM 1626 CA ILE A 105 1.140 -11.400 23.584 1.00 18.71 C ATOM 1627 C ILE A 105 -0.111 -12.314 23.602 1.00 20.29 C ATOM 1628 O ILE A 105 -0.443 -12.894 22.558 1.00 20.49 O ATOM 1629 CB ILE A 105 0.961 -10.209 22.617 1.00 17.60 C ATOM 1630 CG1 ILE A 105 2.232 -9.343 22.434 1.00 16.67 C ATOM 1631 CG2 ILE A 105 -0.206 -9.325 23.090 1.00 17.71 C ATOM 1632 CD1 ILE A 105 2.813 -8.725 23.716 1.00 16.46 C ATOM 0 H ILE A 105 2.517 -12.233 22.245 1.00 18.18 H new ATOM 0 HA ILE A 105 1.264 -10.989 24.586 1.00 18.71 H new ATOM 0 HB ILE A 105 0.748 -10.643 21.640 1.00 17.60 H new ATOM 0 HG12 ILE A 105 3.003 -9.957 21.968 1.00 16.67 H new ATOM 0 HG13 ILE A 105 2.002 -8.537 21.737 1.00 16.67 H new ATOM 0 HG21 ILE A 105 -0.328 -8.486 22.405 1.00 17.71 H new ATOM 0 HG22 ILE A 105 -1.123 -9.914 23.110 1.00 17.71 H new ATOM 0 HG23 ILE A 105 0.005 -8.948 24.091 1.00 17.71 H new ATOM 0 HD11 ILE A 105 3.699 -8.141 23.469 1.00 16.46 H new ATOM 0 HD12 ILE A 105 2.068 -8.077 24.177 1.00 16.46 H new ATOM 0 HD13 ILE A 105 3.084 -9.519 24.412 1.00 16.46 H new ATOM 1644 N PRO A 106 -0.819 -12.452 24.744 1.00 21.64 N ATOM 1645 CA PRO A 106 -1.949 -13.376 24.902 1.00 23.40 C ATOM 1646 C PRO A 106 -3.291 -12.829 24.392 1.00 23.63 C ATOM 1647 O PRO A 106 -4.159 -13.652 24.031 1.00 24.59 O ATOM 1648 CB PRO A 106 -1.976 -13.699 26.400 1.00 24.76 C ATOM 1649 CG PRO A 106 -1.510 -12.394 27.035 1.00 23.82 C ATOM 1650 CD PRO A 106 -0.479 -11.871 26.038 1.00 21.90 C ATOM 1651 OXT PRO A 106 -3.495 -11.618 24.349 1.00 23.06 O ATOM 0 HA PRO A 106 -1.810 -14.264 24.285 1.00 23.40 H new ATOM 0 HB2 PRO A 106 -2.975 -13.978 26.736 1.00 24.76 H new ATOM 0 HB3 PRO A 106 -1.313 -14.528 26.647 1.00 24.76 H new ATOM 0 HG2 PRO A 106 -2.334 -11.693 27.167 1.00 23.82 H new ATOM 0 HG3 PRO A 106 -1.071 -12.559 28.019 1.00 23.82 H new ATOM 0 HD2 PRO A 106 -0.502 -10.782 25.992 1.00 21.90 H new ATOM 0 HD3 PRO A 106 0.529 -12.156 26.338 1.00 21.90 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -3.919 1.018 3.583 1.00 1.03 FE HETATM 1661 CHA HEC A 107 -4.370 -1.881 1.650 1.00 1.04 C HETATM 1662 CHB HEC A 107 -0.710 1.318 2.293 1.00 1.19 C HETATM 1663 CHC HEC A 107 -3.595 3.991 5.292 1.00 1.23 C HETATM 1664 CHD HEC A 107 -7.014 0.434 5.093 1.00 1.10 C HETATM 1665 NA HEC A 107 -2.755 -0.081 2.209 1.00 1.05 N HETATM 1666 C1A HEC A 107 -3.158 -1.204 1.543 1.00 1.07 C HETATM 1667 C2A HEC A 107 -2.075 -1.625 0.684 1.00 1.17 C HETATM 1668 C3A HEC A 107 -1.021 -0.766 0.911 1.00 1.20 C HETATM 1669 C4A HEC A 107 -1.473 0.235 1.855 1.00 1.13 C HETATM 1670 CMA HEC A 107 0.339 -0.845 0.257 1.00 1.32 C HETATM 1671 CAA HEC A 107 -2.070 -2.857 -0.205 1.00 1.26 C HETATM 1672 CBA HEC A 107 -1.742 -4.137 0.580 1.00 1.55 C HETATM 1673 CGA HEC A 107 -1.991 -5.438 -0.176 1.00 1.51 C HETATM 1674 O1A HEC A 107 -1.917 -5.444 -1.422 1.00 2.14 O HETATM 1675 O2A HEC A 107 -2.206 -6.450 0.522 1.00 2.46 O HETATM 1676 NB HEC A 107 -2.449 2.444 3.696 1.00 1.12 N HETATM 1677 C1B HEC A 107 -1.208 2.334 3.125 1.00 1.18 C HETATM 1678 C2B HEC A 107 -0.431 3.465 3.575 1.00 1.31 C HETATM 1679 C3B HEC A 107 -1.253 4.257 4.353 1.00 1.27 C HETATM 1680 C4B HEC A 107 -2.526 3.574 4.471 1.00 1.19 C HETATM 1681 CMB HEC A 107 1.056 3.658 3.362 1.00 1.53 C HETATM 1682 CAB HEC A 107 -0.856 5.550 5.040 1.00 1.35 C HETATM 1683 CBB HEC A 107 -0.729 6.716 4.063 1.00 1.58 C HETATM 1684 NC HEC A 107 -5.122 2.058 4.923 1.00 1.08 N HETATM 1685 C1C HEC A 107 -4.769 3.244 5.496 1.00 1.18 C HETATM 1686 C2C HEC A 107 -5.818 3.594 6.429 1.00 1.28 C HETATM 1687 C3C HEC A 107 -6.799 2.621 6.345 1.00 1.17 C HETATM 1688 C4C HEC A 107 -6.332 1.625 5.403 1.00 1.10 C HETATM 1689 CMC HEC A 107 -5.819 4.786 7.362 1.00 1.52 C HETATM 1690 CAC HEC A 107 -8.056 2.509 7.199 1.00 1.13 C HETATM 1691 CBC HEC A 107 -8.960 3.742 7.129 1.00 1.50 C HETATM 1692 ND HEC A 107 -5.406 -0.478 3.427 1.00 0.99 N HETATM 1693 C1D HEC A 107 -6.559 -0.504 4.162 1.00 1.05 C HETATM 1694 C2D HEC A 107 -7.252 -1.724 3.817 1.00 1.13 C HETATM 1695 C3D HEC A 107 -6.587 -2.285 2.754 1.00 1.05 C HETATM 1696 C4D HEC A 107 -5.360 -1.547 2.574 1.00 1.00 C HETATM 1697 CMD HEC A 107 -8.496 -2.286 4.465 1.00 1.39 C HETATM 1698 CAD HEC A 107 -7.129 -3.369 1.847 1.00 1.13 C HETATM 1699 CBD HEC A 107 -8.294 -2.891 0.964 1.00 2.18 C HETATM 1700 CGD HEC A 107 -8.000 -1.648 0.122 1.00 3.18 C HETATM 1701 O1D HEC A 107 -6.812 -1.421 -0.207 1.00 3.82 O HETATM 1702 O2D HEC A 107 -8.982 -0.938 -0.182 1.00 4.15 O HETATM 0 HMD3 HEC A 107 -8.304 -2.472 5.522 1.00 1.39 H new HETATM 0 HMD2 HEC A 107 -9.313 -1.571 4.365 1.00 1.39 H new HETATM 0 HMD1 HEC A 107 -8.770 -3.221 3.976 1.00 1.39 H new HETATM 0 HMC3 HEC A 107 -4.964 4.722 8.035 1.00 1.52 H new HETATM 0 HMC2 HEC A 107 -5.754 5.705 6.779 1.00 1.52 H new HETATM 0 HMC1 HEC A 107 -6.740 4.791 7.945 1.00 1.52 H new HETATM 0 HMB3 HEC A 107 1.600 2.837 3.829 1.00 1.53 H new HETATM 0 HMB2 HEC A 107 1.271 3.674 2.294 1.00 1.53 H new HETATM 0 HMB1 HEC A 107 1.368 4.602 3.809 1.00 1.53 H new HETATM 0 HMA3 HEC A 107 0.802 -1.803 0.494 1.00 1.32 H new HETATM 0 HMA2 HEC A 107 0.229 -0.753 -0.823 1.00 1.32 H new HETATM 0 HMA1 HEC A 107 0.969 -0.036 0.628 1.00 1.32 H new HETATM 0 HBD2 HEC A 107 -8.581 -3.704 0.297 1.00 2.18 H new HETATM 0 HBD1 HEC A 107 -9.153 -2.684 1.603 1.00 2.18 H new HETATM 0 HBC3 HEC A 107 -8.410 4.617 7.476 1.00 1.50 H new HETATM 0 HBC2 HEC A 107 -9.281 3.900 6.099 1.00 1.50 H new HETATM 0 HBC1 HEC A 107 -9.834 3.589 7.762 1.00 1.50 H new HETATM 0 HBB3 HEC A 107 0.032 6.485 3.318 1.00 1.58 H new HETATM 0 HBB2 HEC A 107 -1.685 6.880 3.566 1.00 1.58 H new HETATM 0 HBB1 HEC A 107 -0.443 7.617 4.606 1.00 1.58 H new HETATM 0 HBA2 HEC A 107 -0.695 -4.103 0.880 1.00 1.55 H new HETATM 0 HBA1 HEC A 107 -2.335 -4.146 1.495 1.00 1.55 H new HETATM 0 HAD2 HEC A 107 -6.325 -3.736 1.209 1.00 1.13 H new HETATM 0 HAD1 HEC A 107 -7.463 -4.210 2.455 1.00 1.13 H new HETATM 0 HAA2 HEC A 107 -3.045 -2.964 -0.680 1.00 1.26 H new HETATM 0 HAA1 HEC A 107 -1.339 -2.725 -1.003 1.00 1.26 H new HETATM 0 HHD HEC A 107 -7.952 0.231 5.609 1.00 1.10 H new HETATM 0 HHC HEC A 107 -3.505 4.951 5.800 1.00 1.23 H new HETATM 0 HHB HEC A 107 0.330 1.379 1.972 1.00 1.19 H new HETATM 0 HHA HEC A 107 -4.555 -2.717 0.975 1.00 1.04 H new HETATM 0 H2D HEC A 107 -9.034 -0.851 -1.157 1.00 4.15 H new HETATM 0 H2A HEC A 107 -1.524 -7.128 0.334 1.00 2.46 H new