USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 HIS : no HD1:sc= -0.12 X(o=0.29,f=0.22) USER MOD Set 1.2: A 58 THR OG1 : rot -14:sc= 0.406 USER MOD Set 2.1: A 43 THR OG1 : rot 112:sc= 1.3 USER MOD Set 2.2: A 46 THR OG1 : rot 9:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0333 (180deg=-0.0292) USER MOD Single : A 2 THR OG1 : rot 21:sc= 0.804 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 5 THR OG1 : rot -23:sc= 1.1 USER MOD Single : A 8 SER OG : rot 180:sc= -0.128 USER MOD Single : A 13 GLN : amide:sc= 0.325 X(o=0.32,f=0) USER MOD Single : A 18 MET CE :methyl 161:sc= -0.197 (180deg=-0.681) USER MOD Single : A 22 SER OG : rot 82:sc= 1.26 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.787 F(o=-2.3!,f=-0.79) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 99:sc= -1.2 USER MOD Single : A 29 GLN : amide:sc=-0.000624 K(o=-0.00062,f=-0.97) USER MOD Single : A 32 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 34 CYS SG : rot 63:sc= 1.24 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -157:sc= 0.0337 USER MOD Single : A 53 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.5) USER MOD Single : A 66 THR OG1 : rot 16:sc= 0.868 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.016 F(o=-1.2!,f=-0.016) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0292) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.477 -20.476 15.857 1.00 0.00 N ATOM 2 CA MET A 1 -1.091 -19.358 15.104 1.00 0.00 C ATOM 3 C MET A 1 -0.086 -18.235 14.892 1.00 0.00 C ATOM 4 O MET A 1 0.811 -18.036 15.714 1.00 0.00 O ATOM 5 CB MET A 1 -2.313 -18.820 15.856 1.00 0.00 C ATOM 6 CG MET A 1 -3.508 -19.757 15.836 1.00 0.00 C ATOM 7 SD MET A 1 -4.908 -19.110 16.772 1.00 0.00 S ATOM 8 CE MET A 1 -6.145 -20.361 16.434 1.00 0.00 C ATOM 0 H1 MET A 1 -0.294 -21.270 15.211 1.00 0.00 H new ATOM 0 H2 MET A 1 0.419 -20.159 16.279 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.124 -20.784 16.610 1.00 0.00 H new ATOM 0 HA MET A 1 -1.405 -19.736 14.131 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.034 -18.625 16.891 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.605 -17.865 15.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.813 -19.929 14.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.215 -20.723 16.247 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.073 -20.103 16.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.325 -20.414 15.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.791 -21.328 16.791 1.00 0.00 H new ATOM 20 N THR A 2 -0.262 -17.501 13.793 1.00 0.00 N ATOM 21 CA THR A 2 0.637 -16.413 13.392 1.00 0.00 C ATOM 22 C THR A 2 2.107 -16.838 13.433 1.00 0.00 C ATOM 23 O THR A 2 2.469 -17.874 12.876 1.00 0.00 O ATOM 24 CB THR A 2 0.432 -15.129 14.236 1.00 0.00 C ATOM 25 OG1 THR A 2 0.526 -15.408 15.641 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.911 -14.490 13.924 1.00 0.00 C ATOM 0 H THR A 2 -1.039 -17.645 13.148 1.00 0.00 H new ATOM 0 HA THR A 2 0.374 -16.180 12.360 1.00 0.00 H new ATOM 0 HB THR A 2 1.227 -14.432 13.971 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.014 -16.247 15.776 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.035 -13.590 14.527 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.952 -14.227 12.867 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.711 -15.194 14.154 1.00 0.00 H new ATOM 34 N LYS A 3 2.932 -16.041 14.113 1.00 0.00 N ATOM 35 CA LYS A 3 4.378 -16.233 14.143 1.00 0.00 C ATOM 36 C LYS A 3 4.957 -16.251 12.729 1.00 0.00 C ATOM 37 O LYS A 3 5.260 -17.307 12.169 1.00 0.00 O ATOM 38 CB LYS A 3 4.776 -17.503 14.911 1.00 0.00 C ATOM 39 CG LYS A 3 6.288 -17.687 15.022 1.00 0.00 C ATOM 40 CD LYS A 3 6.667 -18.900 15.856 1.00 0.00 C ATOM 41 CE LYS A 3 8.176 -19.109 15.862 1.00 0.00 C ATOM 42 NZ LYS A 3 8.582 -20.237 16.741 1.00 0.00 N ATOM 0 H LYS A 3 2.612 -15.242 14.660 1.00 0.00 H new ATOM 0 HA LYS A 3 4.802 -15.384 14.679 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.346 -17.465 15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.346 -18.372 14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.713 -17.790 14.023 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.728 -16.794 15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.310 -18.769 16.878 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.175 -19.787 15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.519 -19.301 14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.667 -18.195 16.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.616 -20.343 16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.279 -20.043 17.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.135 -21.115 16.408 1.00 0.00 H new ATOM 56 N ASN A 4 5.064 -15.072 12.142 1.00 0.00 N ATOM 57 CA ASN A 4 5.719 -14.918 10.856 1.00 0.00 C ATOM 58 C ASN A 4 7.213 -14.814 11.108 1.00 0.00 C ATOM 59 O ASN A 4 7.709 -13.743 11.447 1.00 0.00 O ATOM 60 CB ASN A 4 5.202 -13.669 10.132 1.00 0.00 C ATOM 61 CG ASN A 4 3.686 -13.581 10.139 1.00 0.00 C ATOM 62 OD1 ASN A 4 3.091 -13.007 11.055 1.00 0.00 O ATOM 63 ND2 ASN A 4 3.048 -14.146 9.127 1.00 0.00 N ATOM 0 H ASN A 4 4.704 -14.204 12.538 1.00 0.00 H new ATOM 0 HA ASN A 4 5.504 -15.774 10.217 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.617 -12.780 10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.558 -13.676 9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 4 2.029 -14.116 9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.575 -14.612 8.388 1.00 0.00 H new ATOM 70 N THR A 5 7.900 -15.947 10.962 1.00 0.00 N ATOM 71 CA THR A 5 9.273 -16.133 11.436 1.00 0.00 C ATOM 72 C THR A 5 9.345 -15.861 12.942 1.00 0.00 C ATOM 73 O THR A 5 9.150 -16.771 13.747 1.00 0.00 O ATOM 74 CB THR A 5 10.336 -15.297 10.657 1.00 0.00 C ATOM 75 OG1 THR A 5 10.129 -13.884 10.811 1.00 0.00 O ATOM 76 CG2 THR A 5 10.315 -15.649 9.176 1.00 0.00 C ATOM 0 H THR A 5 7.514 -16.773 10.505 1.00 0.00 H new ATOM 0 HA THR A 5 9.532 -17.173 11.238 1.00 0.00 H new ATOM 0 HB THR A 5 11.308 -15.548 11.082 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.193 -13.714 11.047 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.063 -15.056 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.539 -16.708 9.051 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.328 -15.435 8.765 1.00 0.00 H new ATOM 84 N ARG A 6 9.582 -14.605 13.298 1.00 0.00 N ATOM 85 CA ARG A 6 9.568 -14.147 14.683 1.00 0.00 C ATOM 86 C ARG A 6 9.951 -12.674 14.728 1.00 0.00 C ATOM 87 O ARG A 6 9.662 -11.969 15.698 1.00 0.00 O ATOM 88 CB ARG A 6 10.499 -14.992 15.578 1.00 0.00 C ATOM 89 CG ARG A 6 11.977 -14.965 15.199 1.00 0.00 C ATOM 90 CD ARG A 6 12.708 -13.795 15.835 1.00 0.00 C ATOM 91 NE ARG A 6 12.633 -13.821 17.294 1.00 0.00 N ATOM 92 CZ ARG A 6 13.152 -12.880 18.080 1.00 0.00 C ATOM 93 NH1 ARG A 6 13.760 -11.826 17.543 1.00 0.00 N ATOM 94 NH2 ARG A 6 13.062 -12.995 19.400 1.00 0.00 N ATOM 0 H ARG A 6 9.792 -13.867 12.626 1.00 0.00 H new ATOM 0 HA ARG A 6 8.560 -14.271 15.079 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.399 -14.645 16.606 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.155 -16.026 15.556 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.448 -15.898 15.509 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.072 -14.905 14.115 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.753 -13.812 15.527 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.283 -12.861 15.468 1.00 0.00 H new ATOM 0 HE ARG A 6 12.155 -14.606 17.736 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.829 -11.739 16.529 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.158 -11.105 18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.596 -13.804 19.811 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.459 -12.275 20.003 1.00 0.00 H new ATOM 108 N PHE A 7 10.598 -12.215 13.657 1.00 0.00 N ATOM 109 CA PHE A 7 11.030 -10.831 13.553 1.00 0.00 C ATOM 110 C PHE A 7 9.896 -9.945 13.059 1.00 0.00 C ATOM 111 O PHE A 7 9.339 -10.173 11.986 1.00 0.00 O ATOM 112 CB PHE A 7 12.220 -10.704 12.593 1.00 0.00 C ATOM 113 CG PHE A 7 13.445 -11.462 13.017 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.309 -10.933 13.963 1.00 0.00 C ATOM 115 CD2 PHE A 7 13.735 -12.698 12.465 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.439 -11.624 14.352 1.00 0.00 C ATOM 117 CE2 PHE A 7 14.863 -13.395 12.852 1.00 0.00 C ATOM 118 CZ PHE A 7 15.717 -12.858 13.797 1.00 0.00 C ATOM 0 H PHE A 7 10.833 -12.789 12.847 1.00 0.00 H new ATOM 0 HA PHE A 7 11.332 -10.506 14.548 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.914 -11.054 11.607 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.478 -9.650 12.491 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.096 -9.969 14.401 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.073 -13.121 11.724 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.105 -11.200 15.089 1.00 0.00 H new ATOM 0 HE2 PHE A 7 15.078 -14.360 12.416 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.599 -13.402 14.101 1.00 0.00 H new ATOM 128 N SER A 8 9.546 -8.951 13.853 1.00 0.00 N ATOM 129 CA SER A 8 8.596 -7.941 13.431 1.00 0.00 C ATOM 130 C SER A 8 9.319 -6.888 12.596 1.00 0.00 C ATOM 131 O SER A 8 10.505 -6.618 12.822 1.00 0.00 O ATOM 132 CB SER A 8 7.941 -7.293 14.658 1.00 0.00 C ATOM 133 OG SER A 8 7.034 -6.266 14.287 1.00 0.00 O ATOM 0 H SER A 8 9.908 -8.822 14.798 1.00 0.00 H new ATOM 0 HA SER A 8 7.815 -8.403 12.827 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.414 -8.054 15.234 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.713 -6.880 15.307 1.00 0.00 H new ATOM 0 HG SER A 8 6.634 -5.876 15.092 1.00 0.00 H new ATOM 139 N PRO A 9 8.631 -6.297 11.603 1.00 0.00 N ATOM 140 CA PRO A 9 9.182 -5.201 10.800 1.00 0.00 C ATOM 141 C PRO A 9 9.661 -4.047 11.679 1.00 0.00 C ATOM 142 O PRO A 9 10.522 -3.259 11.283 1.00 0.00 O ATOM 143 CB PRO A 9 8.001 -4.760 9.933 1.00 0.00 C ATOM 144 CG PRO A 9 7.118 -5.956 9.855 1.00 0.00 C ATOM 145 CD PRO A 9 7.269 -6.668 11.170 1.00 0.00 C ATOM 0 HA PRO A 9 10.052 -5.510 10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.480 -3.912 10.377 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.332 -4.448 8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.081 -5.665 9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.408 -6.602 9.026 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.516 -6.347 11.890 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.163 -7.747 11.058 1.00 0.00 H new ATOM 153 N GLU A 10 9.090 -3.960 12.878 1.00 0.00 N ATOM 154 CA GLU A 10 9.517 -2.987 13.873 1.00 0.00 C ATOM 155 C GLU A 10 10.996 -3.173 14.179 1.00 0.00 C ATOM 156 O GLU A 10 11.779 -2.231 14.089 1.00 0.00 O ATOM 157 CB GLU A 10 8.712 -3.160 15.161 1.00 0.00 C ATOM 158 CG GLU A 10 9.050 -2.134 16.229 1.00 0.00 C ATOM 159 CD GLU A 10 8.700 -2.606 17.623 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.517 -2.887 17.888 1.00 0.00 O ATOM 161 OE2 GLU A 10 9.617 -2.709 18.466 1.00 0.00 O ATOM 0 H GLU A 10 8.323 -4.559 13.183 1.00 0.00 H new ATOM 0 HA GLU A 10 9.349 -1.987 13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.649 -3.093 14.928 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.889 -4.159 15.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.115 -1.906 16.184 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.516 -1.207 16.019 1.00 0.00 H new ATOM 168 N VAL A 11 11.367 -4.407 14.510 1.00 0.00 N ATOM 169 CA VAL A 11 12.735 -4.731 14.903 1.00 0.00 C ATOM 170 C VAL A 11 13.707 -4.460 13.759 1.00 0.00 C ATOM 171 O VAL A 11 14.799 -3.939 13.973 1.00 0.00 O ATOM 172 CB VAL A 11 12.857 -6.211 15.335 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.260 -6.517 15.842 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.816 -6.546 16.394 1.00 0.00 C ATOM 0 H VAL A 11 10.732 -5.206 14.513 1.00 0.00 H new ATOM 0 HA VAL A 11 12.988 -4.093 15.750 1.00 0.00 H new ATOM 0 HB VAL A 11 12.672 -6.836 14.461 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.319 -7.564 16.139 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.983 -6.323 15.050 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.483 -5.883 16.700 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.917 -7.591 16.686 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.966 -5.910 17.266 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.818 -6.377 15.989 1.00 0.00 H new ATOM 184 N ARG A 12 13.290 -4.801 12.545 1.00 0.00 N ATOM 185 CA ARG A 12 14.117 -4.594 11.359 1.00 0.00 C ATOM 186 C ARG A 12 14.464 -3.116 11.198 1.00 0.00 C ATOM 187 O ARG A 12 15.633 -2.749 11.049 1.00 0.00 O ATOM 188 CB ARG A 12 13.382 -5.104 10.114 1.00 0.00 C ATOM 189 CG ARG A 12 14.221 -5.096 8.845 1.00 0.00 C ATOM 190 CD ARG A 12 15.388 -6.073 8.930 1.00 0.00 C ATOM 191 NE ARG A 12 14.949 -7.428 9.282 1.00 0.00 N ATOM 192 CZ ARG A 12 14.485 -8.320 8.401 1.00 0.00 C ATOM 193 NH1 ARG A 12 14.414 -8.011 7.113 1.00 0.00 N ATOM 194 NH2 ARG A 12 14.104 -9.527 8.809 1.00 0.00 N ATOM 0 H ARG A 12 12.381 -5.223 12.355 1.00 0.00 H new ATOM 0 HA ARG A 12 15.045 -5.154 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.037 -6.121 10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.495 -4.491 9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.593 -5.354 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.602 -4.090 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.909 -6.098 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.103 -5.719 9.673 1.00 0.00 H new ATOM 0 HE ARG A 12 15.001 -7.707 10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.714 -7.090 6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.059 -8.694 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.165 -9.774 9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.750 -10.205 8.134 1.00 0.00 H new ATOM 208 N GLN A 13 13.444 -2.271 11.248 1.00 0.00 N ATOM 209 CA GLN A 13 13.641 -0.833 11.126 1.00 0.00 C ATOM 210 C GLN A 13 14.386 -0.292 12.340 1.00 0.00 C ATOM 211 O GLN A 13 15.297 0.520 12.204 1.00 0.00 O ATOM 212 CB GLN A 13 12.293 -0.126 10.987 1.00 0.00 C ATOM 213 CG GLN A 13 11.490 -0.568 9.773 1.00 0.00 C ATOM 214 CD GLN A 13 10.094 0.019 9.767 1.00 0.00 C ATOM 215 OE1 GLN A 13 9.859 1.092 9.212 1.00 0.00 O ATOM 216 NE2 GLN A 13 9.161 -0.677 10.395 1.00 0.00 N ATOM 0 H GLN A 13 12.472 -2.556 11.372 1.00 0.00 H new ATOM 0 HA GLN A 13 14.238 -0.641 10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.704 -0.307 11.886 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.462 0.949 10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.013 -0.268 8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.425 -1.656 9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.399 -1.562 10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.203 -0.328 10.432 1.00 0.00 H new ATOM 225 N ARG A 14 13.999 -0.768 13.517 1.00 0.00 N ATOM 226 CA ARG A 14 14.596 -0.332 14.777 1.00 0.00 C ATOM 227 C ARG A 14 16.101 -0.583 14.788 1.00 0.00 C ATOM 228 O ARG A 14 16.874 0.266 15.235 1.00 0.00 O ATOM 229 CB ARG A 14 13.932 -1.066 15.946 1.00 0.00 C ATOM 230 CG ARG A 14 14.430 -0.641 17.317 1.00 0.00 C ATOM 231 CD ARG A 14 13.759 -1.452 18.411 1.00 0.00 C ATOM 232 NE ARG A 14 14.166 -1.028 19.748 1.00 0.00 N ATOM 233 CZ ARG A 14 13.793 -1.641 20.871 1.00 0.00 C ATOM 234 NH1 ARG A 14 13.016 -2.720 20.825 1.00 0.00 N ATOM 235 NH2 ARG A 14 14.198 -1.173 22.042 1.00 0.00 N ATOM 0 H ARG A 14 13.264 -1.466 13.627 1.00 0.00 H new ATOM 0 HA ARG A 14 14.432 0.740 14.882 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.855 -0.903 15.897 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.098 -2.137 15.828 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.511 -0.772 17.373 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.229 0.419 17.469 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.677 -1.359 18.317 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.001 -2.506 18.278 1.00 0.00 H new ATOM 0 HE ARG A 14 14.773 -0.212 19.827 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.701 -3.084 19.926 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.735 -3.183 21.689 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.793 -0.346 22.082 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.914 -1.640 22.903 1.00 0.00 H new ATOM 249 N ALA A 15 16.509 -1.744 14.285 1.00 0.00 N ATOM 250 CA ALA A 15 17.918 -2.106 14.239 1.00 0.00 C ATOM 251 C ALA A 15 18.698 -1.162 13.335 1.00 0.00 C ATOM 252 O ALA A 15 19.708 -0.591 13.744 1.00 0.00 O ATOM 253 CB ALA A 15 18.080 -3.543 13.767 1.00 0.00 C ATOM 0 H ALA A 15 15.880 -2.451 13.903 1.00 0.00 H new ATOM 0 HA ALA A 15 18.322 -2.018 15.248 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.139 -3.799 13.738 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.564 -4.212 14.455 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.654 -3.649 12.769 1.00 0.00 H new ATOM 259 N VAL A 16 18.214 -0.987 12.114 1.00 0.00 N ATOM 260 CA VAL A 16 18.881 -0.125 11.142 1.00 0.00 C ATOM 261 C VAL A 16 18.867 1.329 11.609 1.00 0.00 C ATOM 262 O VAL A 16 19.872 2.035 11.504 1.00 0.00 O ATOM 263 CB VAL A 16 18.222 -0.221 9.752 1.00 0.00 C ATOM 264 CG1 VAL A 16 19.004 0.590 8.728 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.108 -1.673 9.316 1.00 0.00 C ATOM 0 H VAL A 16 17.362 -1.429 11.770 1.00 0.00 H new ATOM 0 HA VAL A 16 19.912 -0.471 11.062 1.00 0.00 H new ATOM 0 HB VAL A 16 17.217 0.197 9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.522 0.508 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.029 1.636 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.022 0.207 8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.640 -1.722 8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.102 -2.118 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.500 -2.222 10.035 1.00 0.00 H new ATOM 275 N ARG A 17 17.724 1.759 12.133 1.00 0.00 N ATOM 276 CA ARG A 17 17.583 3.093 12.705 1.00 0.00 C ATOM 277 C ARG A 17 18.614 3.306 13.802 1.00 0.00 C ATOM 278 O ARG A 17 19.279 4.341 13.856 1.00 0.00 O ATOM 279 CB ARG A 17 16.166 3.275 13.261 1.00 0.00 C ATOM 280 CG ARG A 17 15.983 4.513 14.123 1.00 0.00 C ATOM 281 CD ARG A 17 14.559 4.607 14.648 1.00 0.00 C ATOM 282 NE ARG A 17 14.396 5.671 15.637 1.00 0.00 N ATOM 283 CZ ARG A 17 13.264 6.342 15.829 1.00 0.00 C ATOM 284 NH1 ARG A 17 12.199 6.109 15.064 1.00 0.00 N ATOM 285 NH2 ARG A 17 13.207 7.260 16.784 1.00 0.00 N ATOM 0 H ARG A 17 16.874 1.196 12.173 1.00 0.00 H new ATOM 0 HA ARG A 17 17.752 3.834 11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.465 3.321 12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.904 2.396 13.850 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.681 4.484 14.959 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.219 5.404 13.541 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.879 4.783 13.815 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.276 3.654 15.095 1.00 0.00 H new ATOM 0 HE ARG A 17 15.200 5.914 16.216 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.247 5.410 14.322 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.336 6.629 15.220 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.026 7.446 17.363 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.344 7.781 16.940 1.00 0.00 H new ATOM 299 N MET A 18 18.747 2.310 14.667 1.00 0.00 N ATOM 300 CA MET A 18 19.706 2.364 15.759 1.00 0.00 C ATOM 301 C MET A 18 21.120 2.549 15.221 1.00 0.00 C ATOM 302 O MET A 18 21.897 3.337 15.759 1.00 0.00 O ATOM 303 CB MET A 18 19.626 1.086 16.595 1.00 0.00 C ATOM 304 CG MET A 18 20.428 1.148 17.883 1.00 0.00 C ATOM 305 SD MET A 18 19.904 2.500 18.957 1.00 0.00 S ATOM 306 CE MET A 18 18.170 2.102 19.194 1.00 0.00 C ATOM 0 H MET A 18 18.199 1.451 14.632 1.00 0.00 H new ATOM 0 HA MET A 18 19.461 3.217 16.392 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.582 0.885 16.837 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.982 0.248 15.996 1.00 0.00 H new ATOM 0 HG2 MET A 18 20.326 0.203 18.417 1.00 0.00 H new ATOM 0 HG3 MET A 18 21.485 1.266 17.644 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.794 2.623 20.075 1.00 0.00 H new ATOM 0 HE2 MET A 18 17.602 2.415 18.318 1.00 0.00 H new ATOM 0 HE3 MET A 18 18.059 1.027 19.333 1.00 0.00 H new ATOM 316 N VAL A 19 21.440 1.830 14.151 1.00 0.00 N ATOM 317 CA VAL A 19 22.758 1.917 13.540 1.00 0.00 C ATOM 318 C VAL A 19 22.988 3.293 12.920 1.00 0.00 C ATOM 319 O VAL A 19 23.952 3.977 13.259 1.00 0.00 O ATOM 320 CB VAL A 19 22.959 0.834 12.455 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.331 0.963 11.811 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.779 -0.559 13.040 1.00 0.00 C ATOM 0 H VAL A 19 20.803 1.180 13.690 1.00 0.00 H new ATOM 0 HA VAL A 19 23.483 1.753 14.338 1.00 0.00 H new ATOM 0 HB VAL A 19 22.201 0.985 11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.450 0.191 11.051 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.425 1.945 11.348 1.00 0.00 H new ATOM 0 HG13 VAL A 19 25.103 0.845 12.572 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.925 -1.304 12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.510 -0.718 13.833 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.773 -0.655 13.449 1.00 0.00 H new ATOM 332 N LEU A 20 22.086 3.702 12.035 1.00 0.00 N ATOM 333 CA LEU A 20 22.257 4.938 11.273 1.00 0.00 C ATOM 334 C LEU A 20 22.268 6.169 12.177 1.00 0.00 C ATOM 335 O LEU A 20 23.068 7.088 11.975 1.00 0.00 O ATOM 336 CB LEU A 20 21.157 5.077 10.217 1.00 0.00 C ATOM 337 CG LEU A 20 21.173 4.005 9.122 1.00 0.00 C ATOM 338 CD1 LEU A 20 20.049 4.243 8.125 1.00 0.00 C ATOM 339 CD2 LEU A 20 22.522 3.983 8.414 1.00 0.00 C ATOM 0 H LEU A 20 21.226 3.196 11.826 1.00 0.00 H new ATOM 0 HA LEU A 20 23.226 4.878 10.778 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.189 5.050 10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.246 6.057 9.747 1.00 0.00 H new ATOM 0 HG LEU A 20 21.016 3.033 9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.076 3.472 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.090 4.206 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.174 5.222 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 20 22.514 3.216 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.710 4.955 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 23.308 3.762 9.136 1.00 0.00 H new ATOM 351 N GLU A 21 21.393 6.185 13.171 1.00 0.00 N ATOM 352 CA GLU A 21 21.291 7.323 14.080 1.00 0.00 C ATOM 353 C GLU A 21 22.505 7.418 14.998 1.00 0.00 C ATOM 354 O GLU A 21 23.005 8.515 15.256 1.00 0.00 O ATOM 355 CB GLU A 21 19.999 7.252 14.893 1.00 0.00 C ATOM 356 CG GLU A 21 18.858 8.065 14.292 1.00 0.00 C ATOM 357 CD GLU A 21 18.608 7.766 12.822 1.00 0.00 C ATOM 358 OE1 GLU A 21 19.326 8.333 11.965 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.678 6.988 12.514 1.00 0.00 O ATOM 0 H GLU A 21 20.743 5.425 13.371 1.00 0.00 H new ATOM 0 HA GLU A 21 21.267 8.228 13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.688 6.211 14.976 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.195 7.608 15.904 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.946 7.867 14.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.079 9.126 14.406 1.00 0.00 H new ATOM 366 N SER A 22 22.992 6.279 15.478 1.00 0.00 N ATOM 367 CA SER A 22 24.194 6.258 16.302 1.00 0.00 C ATOM 368 C SER A 22 25.422 6.542 15.438 1.00 0.00 C ATOM 369 O SER A 22 26.415 7.094 15.909 1.00 0.00 O ATOM 370 CB SER A 22 24.335 4.912 17.012 1.00 0.00 C ATOM 371 OG SER A 22 23.151 4.582 17.716 1.00 0.00 O ATOM 0 H SER A 22 22.575 5.363 15.312 1.00 0.00 H new ATOM 0 HA SER A 22 24.113 7.035 17.062 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.557 4.134 16.282 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.176 4.949 17.705 1.00 0.00 H new ATOM 0 HG SER A 22 22.498 4.198 17.095 1.00 0.00 H new ATOM 377 N GLN A 23 25.333 6.172 14.162 1.00 0.00 N ATOM 378 CA GLN A 23 26.370 6.492 13.190 1.00 0.00 C ATOM 379 C GLN A 23 26.471 8.004 13.029 1.00 0.00 C ATOM 380 O GLN A 23 27.537 8.535 12.739 1.00 0.00 O ATOM 381 CB GLN A 23 26.062 5.807 11.844 1.00 0.00 C ATOM 382 CG GLN A 23 27.102 6.036 10.749 1.00 0.00 C ATOM 383 CD GLN A 23 26.891 7.325 9.969 1.00 0.00 C ATOM 384 OE1 GLN A 23 25.641 7.750 9.842 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 27.846 7.930 9.481 1.00 0.00 N flip ATOM 0 H GLN A 23 24.547 5.647 13.778 1.00 0.00 H new ATOM 0 HA GLN A 23 27.331 6.119 13.544 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.965 4.735 12.013 1.00 0.00 H new ATOM 0 HB3 GLN A 23 25.096 6.162 11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 23 28.094 6.052 11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.080 5.194 10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 23 28.793 7.570 9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 23 27.690 8.791 8.957 1.00 0.00 H new ATOM 394 N GLY A 24 25.348 8.689 13.226 1.00 0.00 N ATOM 395 CA GLY A 24 25.342 10.140 13.196 1.00 0.00 C ATOM 396 C GLY A 24 26.041 10.738 14.402 1.00 0.00 C ATOM 397 O GLY A 24 26.585 11.839 14.331 1.00 0.00 O ATOM 0 H GLY A 24 24.439 8.263 13.406 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.832 10.485 12.285 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.313 10.497 13.160 1.00 0.00 H new ATOM 401 N GLU A 25 26.018 10.008 15.513 1.00 0.00 N ATOM 402 CA GLU A 25 26.712 10.424 16.729 1.00 0.00 C ATOM 403 C GLU A 25 28.214 10.223 16.557 1.00 0.00 C ATOM 404 O GLU A 25 29.026 11.002 17.059 1.00 0.00 O ATOM 405 CB GLU A 25 26.202 9.621 17.927 1.00 0.00 C ATOM 406 CG GLU A 25 24.714 9.790 18.182 1.00 0.00 C ATOM 407 CD GLU A 25 24.208 8.894 19.295 1.00 0.00 C ATOM 408 OE1 GLU A 25 24.748 8.970 20.417 1.00 0.00 O ATOM 409 OE2 GLU A 25 23.258 8.120 19.056 1.00 0.00 O ATOM 0 H GLU A 25 25.523 9.120 15.597 1.00 0.00 H new ATOM 0 HA GLU A 25 26.514 11.480 16.911 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.417 8.565 17.764 1.00 0.00 H new ATOM 0 HB3 GLU A 25 26.752 9.924 18.818 1.00 0.00 H new ATOM 0 HG2 GLU A 25 24.508 10.830 18.436 1.00 0.00 H new ATOM 0 HG3 GLU A 25 24.165 9.571 17.266 1.00 0.00 H new ATOM 416 N TYR A 26 28.564 9.167 15.837 1.00 0.00 N ATOM 417 CA TYR A 26 29.948 8.880 15.494 1.00 0.00 C ATOM 418 C TYR A 26 30.239 9.355 14.071 1.00 0.00 C ATOM 419 O TYR A 26 29.555 10.238 13.551 1.00 0.00 O ATOM 420 CB TYR A 26 30.213 7.372 15.596 1.00 0.00 C ATOM 421 CG TYR A 26 30.227 6.831 17.008 1.00 0.00 C ATOM 422 CD1 TYR A 26 29.068 6.360 17.609 1.00 0.00 C ATOM 423 CD2 TYR A 26 31.407 6.779 17.734 1.00 0.00 C ATOM 424 CE1 TYR A 26 29.085 5.853 18.895 1.00 0.00 C ATOM 425 CE2 TYR A 26 31.435 6.277 19.019 1.00 0.00 C ATOM 426 CZ TYR A 26 30.274 5.814 19.595 1.00 0.00 C ATOM 427 OH TYR A 26 30.302 5.309 20.876 1.00 0.00 O ATOM 0 H TYR A 26 27.897 8.486 15.475 1.00 0.00 H new ATOM 0 HA TYR A 26 30.600 9.406 16.191 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.450 6.843 15.025 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.172 7.152 15.127 1.00 0.00 H new ATOM 0 HD1 TYR A 26 28.137 6.390 17.063 1.00 0.00 H new ATOM 0 HD2 TYR A 26 32.321 7.138 17.285 1.00 0.00 H new ATOM 0 HE1 TYR A 26 28.175 5.490 19.349 1.00 0.00 H new ATOM 0 HE2 TYR A 26 32.363 6.248 19.570 1.00 0.00 H new ATOM 0 HH TYR A 26 31.217 5.353 21.225 1.00 0.00 H new ATOM 437 N ASP A 27 31.266 8.781 13.456 1.00 0.00 N ATOM 438 CA ASP A 27 31.544 9.021 12.041 1.00 0.00 C ATOM 439 C ASP A 27 31.838 7.696 11.351 1.00 0.00 C ATOM 440 O ASP A 27 32.219 7.650 10.182 1.00 0.00 O ATOM 441 CB ASP A 27 32.729 9.986 11.860 1.00 0.00 C ATOM 442 CG ASP A 27 34.081 9.322 12.059 1.00 0.00 C ATOM 443 OD1 ASP A 27 34.447 9.036 13.217 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.797 9.104 11.059 1.00 0.00 O ATOM 0 H ASP A 27 31.921 8.146 13.913 1.00 0.00 H new ATOM 0 HA ASP A 27 30.666 9.484 11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.688 10.417 10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.629 10.810 12.567 1.00 0.00 H new ATOM 449 N SER A 28 31.626 6.611 12.082 1.00 0.00 N ATOM 450 CA SER A 28 31.976 5.289 11.603 1.00 0.00 C ATOM 451 C SER A 28 30.820 4.314 11.792 1.00 0.00 C ATOM 452 O SER A 28 30.341 4.115 12.911 1.00 0.00 O ATOM 453 CB SER A 28 33.215 4.786 12.351 1.00 0.00 C ATOM 454 OG SER A 28 33.623 3.506 11.892 1.00 0.00 O ATOM 0 H SER A 28 31.211 6.625 13.014 1.00 0.00 H new ATOM 0 HA SER A 28 32.193 5.352 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.032 5.496 12.221 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.001 4.738 13.419 1.00 0.00 H new ATOM 0 HG SER A 28 34.362 3.607 11.256 1.00 0.00 H new ATOM 460 N GLN A 29 30.363 3.716 10.696 1.00 0.00 N ATOM 461 CA GLN A 29 29.369 2.651 10.772 1.00 0.00 C ATOM 462 C GLN A 29 29.955 1.439 11.479 1.00 0.00 C ATOM 463 O GLN A 29 29.342 0.877 12.381 1.00 0.00 O ATOM 464 CB GLN A 29 28.897 2.230 9.377 1.00 0.00 C ATOM 465 CG GLN A 29 27.901 3.177 8.732 1.00 0.00 C ATOM 466 CD GLN A 29 27.397 2.649 7.398 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.342 1.438 7.178 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.010 3.547 6.507 1.00 0.00 N ATOM 0 H GLN A 29 30.663 3.949 9.749 1.00 0.00 H new ATOM 0 HA GLN A 29 28.516 3.035 11.332 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.766 2.140 8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 29 28.446 1.240 9.444 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.057 3.329 9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 29 28.369 4.150 8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 29 27.071 4.541 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.651 3.245 5.601 1.00 0.00 H new ATOM 477 N TRP A 30 31.162 1.075 11.070 1.00 0.00 N ATOM 478 CA TRP A 30 31.830 -0.140 11.532 1.00 0.00 C ATOM 479 C TRP A 30 31.929 -0.189 13.056 1.00 0.00 C ATOM 480 O TRP A 30 31.529 -1.175 13.682 1.00 0.00 O ATOM 481 CB TRP A 30 33.227 -0.217 10.911 1.00 0.00 C ATOM 482 CG TRP A 30 33.218 -0.073 9.419 1.00 0.00 C ATOM 483 CD1 TRP A 30 33.201 -1.081 8.498 1.00 0.00 C ATOM 484 CD2 TRP A 30 33.225 1.154 8.671 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.192 -0.557 7.227 1.00 0.00 N ATOM 486 CE2 TRP A 30 33.207 0.812 7.308 1.00 0.00 C ATOM 487 CE3 TRP A 30 33.241 2.507 9.027 1.00 0.00 C ATOM 488 CZ2 TRP A 30 33.202 1.776 6.299 1.00 0.00 C ATOM 489 CZ3 TRP A 30 33.238 3.459 8.027 1.00 0.00 C ATOM 490 CH2 TRP A 30 33.218 3.091 6.678 1.00 0.00 C ATOM 0 H TRP A 30 31.712 1.617 10.403 1.00 0.00 H new ATOM 0 HA TRP A 30 31.235 -0.997 11.217 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.853 0.565 11.341 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.683 -1.171 11.175 1.00 0.00 H new ATOM 0 HD1 TRP A 30 33.195 -2.135 8.733 1.00 0.00 H new ATOM 0 HE1 TRP A 30 33.177 -1.099 6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 30 33.255 2.802 10.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 33.186 1.494 5.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 33.251 4.506 8.291 1.00 0.00 H new ATOM 0 HH2 TRP A 30 33.215 3.860 5.920 1.00 0.00 H new ATOM 501 N ALA A 31 32.453 0.880 13.647 1.00 0.00 N ATOM 502 CA ALA A 31 32.612 0.955 15.093 1.00 0.00 C ATOM 503 C ALA A 31 31.265 0.841 15.794 1.00 0.00 C ATOM 504 O ALA A 31 31.127 0.144 16.802 1.00 0.00 O ATOM 505 CB ALA A 31 33.302 2.254 15.477 1.00 0.00 C ATOM 0 H ALA A 31 32.775 1.707 13.145 1.00 0.00 H new ATOM 0 HA ALA A 31 33.232 0.118 15.414 1.00 0.00 H new ATOM 0 HB1 ALA A 31 33.416 2.299 16.560 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.285 2.297 15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.701 3.099 15.140 1.00 0.00 H new ATOM 511 N THR A 32 30.273 1.506 15.232 1.00 0.00 N ATOM 512 CA THR A 32 28.940 1.527 15.803 1.00 0.00 C ATOM 513 C THR A 32 28.281 0.145 15.729 1.00 0.00 C ATOM 514 O THR A 32 27.743 -0.347 16.721 1.00 0.00 O ATOM 515 CB THR A 32 28.064 2.563 15.076 1.00 0.00 C ATOM 516 OG1 THR A 32 28.740 3.827 15.044 1.00 0.00 O ATOM 517 CG2 THR A 32 26.721 2.722 15.765 1.00 0.00 C ATOM 0 H THR A 32 30.368 2.044 14.371 1.00 0.00 H new ATOM 0 HA THR A 32 29.032 1.806 16.853 1.00 0.00 H new ATOM 0 HB THR A 32 27.889 2.211 14.059 1.00 0.00 H new ATOM 0 HG1 THR A 32 29.113 3.976 14.150 1.00 0.00 H new ATOM 0 HG21 THR A 32 26.123 3.460 15.230 1.00 0.00 H new ATOM 0 HG22 THR A 32 26.199 1.765 15.769 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.876 3.055 16.791 1.00 0.00 H new ATOM 525 N ILE A 33 28.356 -0.483 14.555 1.00 0.00 N ATOM 526 CA ILE A 33 27.742 -1.790 14.324 1.00 0.00 C ATOM 527 C ILE A 33 28.229 -2.826 15.340 1.00 0.00 C ATOM 528 O ILE A 33 27.438 -3.610 15.867 1.00 0.00 O ATOM 529 CB ILE A 33 28.036 -2.295 12.890 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.334 -1.406 11.860 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.609 -3.750 12.721 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.642 -1.775 10.423 1.00 0.00 C ATOM 0 H ILE A 33 28.841 -0.102 13.742 1.00 0.00 H new ATOM 0 HA ILE A 33 26.666 -1.663 14.445 1.00 0.00 H new ATOM 0 HB ILE A 33 29.112 -2.241 12.725 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.257 -1.464 12.017 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.625 -0.369 12.030 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.827 -4.078 11.705 1.00 0.00 H new ATOM 0 HG22 ILE A 33 28.155 -4.374 13.429 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.539 -3.839 12.909 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.109 -1.101 9.752 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.714 -1.689 10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.325 -2.801 10.235 1.00 0.00 H new ATOM 544 N CYS A 34 29.522 -2.802 15.633 1.00 0.00 N ATOM 545 CA CYS A 34 30.123 -3.762 16.555 1.00 0.00 C ATOM 546 C CYS A 34 29.533 -3.638 17.962 1.00 0.00 C ATOM 547 O CYS A 34 29.470 -4.615 18.709 1.00 0.00 O ATOM 548 CB CYS A 34 31.638 -3.555 16.608 1.00 0.00 C ATOM 549 SG CYS A 34 32.465 -3.705 15.005 1.00 0.00 S ATOM 0 H CYS A 34 30.179 -2.126 15.245 1.00 0.00 H new ATOM 0 HA CYS A 34 29.902 -4.763 16.185 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.844 -2.567 17.019 1.00 0.00 H new ATOM 0 HB3 CYS A 34 32.069 -4.283 17.296 1.00 0.00 H new ATOM 0 HG CYS A 34 32.026 -2.781 14.202 1.00 0.00 H new ATOM 555 N SER A 35 29.083 -2.442 18.312 1.00 0.00 N ATOM 556 CA SER A 35 28.564 -2.186 19.648 1.00 0.00 C ATOM 557 C SER A 35 27.060 -2.455 19.711 1.00 0.00 C ATOM 558 O SER A 35 26.500 -2.669 20.787 1.00 0.00 O ATOM 559 CB SER A 35 28.860 -0.736 20.054 1.00 0.00 C ATOM 560 OG SER A 35 28.577 -0.513 21.426 1.00 0.00 O ATOM 0 H SER A 35 29.067 -1.634 17.690 1.00 0.00 H new ATOM 0 HA SER A 35 29.059 -2.862 20.345 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.907 -0.508 19.856 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.265 -0.057 19.443 1.00 0.00 H new ATOM 0 HG SER A 35 28.777 0.419 21.654 1.00 0.00 H new ATOM 566 N ILE A 36 26.409 -2.457 18.555 1.00 0.00 N ATOM 567 CA ILE A 36 24.960 -2.633 18.497 1.00 0.00 C ATOM 568 C ILE A 36 24.582 -4.117 18.463 1.00 0.00 C ATOM 569 O ILE A 36 23.438 -4.485 18.735 1.00 0.00 O ATOM 570 CB ILE A 36 24.360 -1.883 17.282 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.682 -0.391 17.393 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.852 -2.089 17.182 1.00 0.00 C ATOM 573 CD1 ILE A 36 24.130 0.430 16.256 1.00 0.00 C ATOM 0 H ILE A 36 26.858 -2.339 17.647 1.00 0.00 H new ATOM 0 HA ILE A 36 24.537 -2.202 19.404 1.00 0.00 H new ATOM 0 HB ILE A 36 24.808 -2.290 16.375 1.00 0.00 H new ATOM 0 HG12 ILE A 36 24.282 -0.010 18.333 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.764 -0.263 17.431 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.467 -1.548 16.318 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.637 -3.152 17.070 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.373 -1.715 18.087 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.396 1.477 16.400 1.00 0.00 H new ATOM 0 HD12 ILE A 36 24.549 0.075 15.314 1.00 0.00 H new ATOM 0 HD13 ILE A 36 23.045 0.332 16.230 1.00 0.00 H new ATOM 585 N ALA A 37 25.557 -4.969 18.171 1.00 0.00 N ATOM 586 CA ALA A 37 25.335 -6.412 18.156 1.00 0.00 C ATOM 587 C ALA A 37 24.735 -6.905 19.484 1.00 0.00 C ATOM 588 O ALA A 37 23.647 -7.488 19.488 1.00 0.00 O ATOM 589 CB ALA A 37 26.626 -7.148 17.821 1.00 0.00 C ATOM 0 H ALA A 37 26.510 -4.687 17.941 1.00 0.00 H new ATOM 0 HA ALA A 37 24.607 -6.633 17.375 1.00 0.00 H new ATOM 0 HB1 ALA A 37 26.441 -8.222 17.814 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.979 -6.835 16.839 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.383 -6.915 18.570 1.00 0.00 H new ATOM 595 N PRO A 38 25.398 -6.655 20.639 1.00 0.00 N ATOM 596 CA PRO A 38 24.861 -7.057 21.941 1.00 0.00 C ATOM 597 C PRO A 38 23.739 -6.130 22.405 1.00 0.00 C ATOM 598 O PRO A 38 23.039 -6.414 23.379 1.00 0.00 O ATOM 599 CB PRO A 38 26.066 -6.934 22.871 1.00 0.00 C ATOM 600 CG PRO A 38 26.900 -5.863 22.265 1.00 0.00 C ATOM 601 CD PRO A 38 26.710 -5.982 20.778 1.00 0.00 C ATOM 0 HA PRO A 38 24.424 -8.055 21.916 1.00 0.00 H new ATOM 0 HB2 PRO A 38 25.760 -6.673 23.884 1.00 0.00 H new ATOM 0 HB3 PRO A 38 26.614 -7.874 22.936 1.00 0.00 H new ATOM 0 HG2 PRO A 38 26.591 -4.880 22.620 1.00 0.00 H new ATOM 0 HG3 PRO A 38 27.949 -5.985 22.535 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.711 -5.005 20.296 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.509 -6.565 20.319 1.00 0.00 H new ATOM 609 N LYS A 39 23.577 -5.026 21.691 1.00 0.00 N ATOM 610 CA LYS A 39 22.589 -4.019 22.034 1.00 0.00 C ATOM 611 C LYS A 39 21.209 -4.455 21.549 1.00 0.00 C ATOM 612 O LYS A 39 20.215 -4.318 22.262 1.00 0.00 O ATOM 613 CB LYS A 39 22.995 -2.684 21.407 1.00 0.00 C ATOM 614 CG LYS A 39 22.371 -1.466 22.061 1.00 0.00 C ATOM 615 CD LYS A 39 23.090 -0.201 21.627 1.00 0.00 C ATOM 616 CE LYS A 39 22.688 0.992 22.473 1.00 0.00 C ATOM 617 NZ LYS A 39 23.585 2.152 22.237 1.00 0.00 N ATOM 0 H LYS A 39 24.126 -4.805 20.860 1.00 0.00 H new ATOM 0 HA LYS A 39 22.542 -3.899 23.116 1.00 0.00 H new ATOM 0 HB2 LYS A 39 24.080 -2.590 21.454 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.721 -2.694 20.352 1.00 0.00 H new ATOM 0 HG2 LYS A 39 21.317 -1.402 21.792 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.418 -1.564 23.146 1.00 0.00 H new ATOM 0 HD2 LYS A 39 24.167 -0.352 21.699 1.00 0.00 H new ATOM 0 HD3 LYS A 39 22.866 0.004 20.580 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.660 1.273 22.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.716 0.718 23.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 23.283 2.951 22.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 24.562 1.890 22.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 23.539 2.428 21.235 1.00 0.00 H new ATOM 631 N ILE A 40 21.162 -4.997 20.339 1.00 0.00 N ATOM 632 CA ILE A 40 19.929 -5.550 19.794 1.00 0.00 C ATOM 633 C ILE A 40 19.731 -6.980 20.288 1.00 0.00 C ATOM 634 O ILE A 40 18.641 -7.354 20.727 1.00 0.00 O ATOM 635 CB ILE A 40 19.928 -5.532 18.248 1.00 0.00 C ATOM 636 CG1 ILE A 40 20.058 -4.098 17.723 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.666 -6.188 17.698 1.00 0.00 C ATOM 638 CD1 ILE A 40 18.928 -3.181 18.145 1.00 0.00 C ATOM 0 H ILE A 40 21.966 -5.066 19.715 1.00 0.00 H new ATOM 0 HA ILE A 40 19.107 -4.923 20.141 1.00 0.00 H new ATOM 0 HB ILE A 40 20.789 -6.105 17.904 1.00 0.00 H new ATOM 0 HG12 ILE A 40 21.002 -3.679 18.072 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.104 -4.124 16.634 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.688 -6.163 16.609 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.617 -7.223 18.037 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.790 -5.647 18.055 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.094 -2.186 17.733 1.00 0.00 H new ATOM 0 HD12 ILE A 40 17.982 -3.574 17.773 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.894 -3.122 19.233 1.00 0.00 H new ATOM 650 N GLY A 41 20.798 -7.767 20.236 1.00 0.00 N ATOM 651 CA GLY A 41 20.726 -9.145 20.678 1.00 0.00 C ATOM 652 C GLY A 41 21.037 -10.117 19.561 1.00 0.00 C ATOM 653 O GLY A 41 20.307 -11.089 19.350 1.00 0.00 O ATOM 0 H GLY A 41 21.714 -7.474 19.895 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.427 -9.299 21.498 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.729 -9.349 21.068 1.00 0.00 H new ATOM 657 N CYS A 42 22.115 -9.849 18.840 1.00 0.00 N ATOM 658 CA CYS A 42 22.535 -10.692 17.733 1.00 0.00 C ATOM 659 C CYS A 42 24.042 -10.561 17.526 1.00 0.00 C ATOM 660 O CYS A 42 24.745 -10.016 18.378 1.00 0.00 O ATOM 661 CB CYS A 42 21.777 -10.305 16.458 1.00 0.00 C ATOM 662 SG CYS A 42 21.912 -8.556 16.025 1.00 0.00 S ATOM 0 H CYS A 42 22.720 -9.045 19.005 1.00 0.00 H new ATOM 0 HA CYS A 42 22.304 -11.732 17.966 1.00 0.00 H new ATOM 0 HB2 CYS A 42 22.152 -10.904 15.628 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.724 -10.558 16.583 1.00 0.00 H new ATOM 0 HG CYS A 42 20.911 -8.218 15.267 1.00 0.00 H new ATOM 668 N THR A 43 24.536 -11.069 16.410 1.00 0.00 N ATOM 669 CA THR A 43 25.946 -10.950 16.082 1.00 0.00 C ATOM 670 C THR A 43 26.191 -9.734 15.180 1.00 0.00 C ATOM 671 O THR A 43 25.280 -9.283 14.478 1.00 0.00 O ATOM 672 CB THR A 43 26.466 -12.247 15.425 1.00 0.00 C ATOM 673 OG1 THR A 43 25.509 -12.746 14.484 1.00 0.00 O ATOM 674 CG2 THR A 43 26.744 -13.314 16.472 1.00 0.00 C ATOM 0 H THR A 43 23.981 -11.568 15.715 1.00 0.00 H new ATOM 0 HA THR A 43 26.503 -10.799 17.007 1.00 0.00 H new ATOM 0 HB THR A 43 27.396 -12.009 14.908 1.00 0.00 H new ATOM 0 HG1 THR A 43 25.869 -12.664 13.576 1.00 0.00 H new ATOM 0 HG21 THR A 43 27.109 -14.217 15.983 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.497 -12.950 17.171 1.00 0.00 H new ATOM 0 HG23 THR A 43 25.825 -13.541 17.013 1.00 0.00 H new ATOM 682 N PRO A 44 27.421 -9.177 15.208 1.00 0.00 N ATOM 683 CA PRO A 44 27.762 -7.921 14.514 1.00 0.00 C ATOM 684 C PRO A 44 27.380 -7.895 13.035 1.00 0.00 C ATOM 685 O PRO A 44 26.731 -6.954 12.572 1.00 0.00 O ATOM 686 CB PRO A 44 29.282 -7.839 14.658 1.00 0.00 C ATOM 687 CG PRO A 44 29.583 -8.600 15.897 1.00 0.00 C ATOM 688 CD PRO A 44 28.582 -9.722 15.944 1.00 0.00 C ATOM 0 HA PRO A 44 27.213 -7.085 14.946 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.786 -8.273 13.794 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.617 -6.805 14.737 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.602 -8.986 15.881 1.00 0.00 H new ATOM 0 HG3 PRO A 44 29.498 -7.963 16.777 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.969 -10.625 15.472 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.321 -9.985 16.969 1.00 0.00 H new ATOM 696 N GLU A 45 27.765 -8.933 12.299 1.00 0.00 N ATOM 697 CA GLU A 45 27.538 -8.973 10.855 1.00 0.00 C ATOM 698 C GLU A 45 26.049 -8.931 10.505 1.00 0.00 C ATOM 699 O GLU A 45 25.678 -8.536 9.401 1.00 0.00 O ATOM 700 CB GLU A 45 28.219 -10.200 10.223 1.00 0.00 C ATOM 701 CG GLU A 45 28.199 -11.464 11.076 1.00 0.00 C ATOM 702 CD GLU A 45 26.815 -12.041 11.273 1.00 0.00 C ATOM 703 OE1 GLU A 45 26.378 -12.865 10.441 1.00 0.00 O ATOM 704 OE2 GLU A 45 26.161 -11.688 12.270 1.00 0.00 O ATOM 0 H GLU A 45 28.235 -9.756 12.676 1.00 0.00 H new ATOM 0 HA GLU A 45 27.992 -8.076 10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.733 -10.415 9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.256 -9.946 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 45 28.834 -12.217 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 45 28.632 -11.241 12.051 1.00 0.00 H new ATOM 711 N THR A 46 25.204 -9.308 11.459 1.00 0.00 N ATOM 712 CA THR A 46 23.765 -9.307 11.254 1.00 0.00 C ATOM 713 C THR A 46 23.246 -7.880 11.071 1.00 0.00 C ATOM 714 O THR A 46 22.358 -7.632 10.254 1.00 0.00 O ATOM 715 CB THR A 46 23.040 -9.979 12.438 1.00 0.00 C ATOM 716 OG1 THR A 46 23.622 -11.264 12.696 1.00 0.00 O ATOM 717 CG2 THR A 46 21.559 -10.149 12.145 1.00 0.00 C ATOM 0 H THR A 46 25.496 -9.619 12.386 1.00 0.00 H new ATOM 0 HA THR A 46 23.558 -9.877 10.348 1.00 0.00 H new ATOM 0 HB THR A 46 23.151 -9.338 13.312 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.438 -11.367 12.163 1.00 0.00 H new ATOM 0 HG21 THR A 46 21.072 -10.625 12.996 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.108 -9.172 11.969 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.432 -10.772 11.259 1.00 0.00 H new ATOM 725 N LEU A 47 23.832 -6.942 11.809 1.00 0.00 N ATOM 726 CA LEU A 47 23.440 -5.542 11.700 1.00 0.00 C ATOM 727 C LEU A 47 23.770 -5.012 10.319 1.00 0.00 C ATOM 728 O LEU A 47 22.952 -4.345 9.692 1.00 0.00 O ATOM 729 CB LEU A 47 24.130 -4.671 12.759 1.00 0.00 C ATOM 730 CG LEU A 47 23.654 -4.848 14.204 1.00 0.00 C ATOM 731 CD1 LEU A 47 22.138 -4.776 14.290 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.169 -6.150 14.790 1.00 0.00 C ATOM 0 H LEU A 47 24.575 -7.124 12.484 1.00 0.00 H new ATOM 0 HA LEU A 47 22.364 -5.492 11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 47 25.200 -4.875 12.725 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.996 -3.626 12.481 1.00 0.00 H new ATOM 0 HG LEU A 47 24.063 -4.028 14.795 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.826 -4.905 15.326 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.799 -3.806 13.926 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.701 -5.566 13.679 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.817 -6.251 15.817 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.802 -6.987 14.196 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.259 -6.148 14.779 1.00 0.00 H new ATOM 744 N ARG A 48 24.965 -5.339 9.836 1.00 0.00 N ATOM 745 CA ARG A 48 25.416 -4.865 8.535 1.00 0.00 C ATOM 746 C ARG A 48 24.514 -5.410 7.428 1.00 0.00 C ATOM 747 O ARG A 48 24.239 -4.718 6.447 1.00 0.00 O ATOM 748 CB ARG A 48 26.876 -5.259 8.286 1.00 0.00 C ATOM 749 CG ARG A 48 27.457 -4.639 7.024 1.00 0.00 C ATOM 750 CD ARG A 48 28.957 -4.865 6.910 1.00 0.00 C ATOM 751 NE ARG A 48 29.303 -6.280 6.767 1.00 0.00 N ATOM 752 CZ ARG A 48 29.563 -6.865 5.596 1.00 0.00 C ATOM 753 NH1 ARG A 48 29.476 -6.170 4.469 1.00 0.00 N ATOM 754 NH2 ARG A 48 29.911 -8.146 5.549 1.00 0.00 N ATOM 0 H ARG A 48 25.637 -5.930 10.327 1.00 0.00 H new ATOM 0 HA ARG A 48 25.355 -3.777 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.478 -4.956 9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.946 -6.344 8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.960 -5.063 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.251 -3.569 7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.340 -4.312 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.450 -4.462 7.795 1.00 0.00 H new ATOM 0 HE ARG A 48 29.348 -6.852 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.210 -5.186 4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 48 29.675 -6.620 3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.981 -8.688 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.109 -8.588 4.651 1.00 0.00 H new ATOM 768 N VAL A 49 24.049 -6.646 7.601 1.00 0.00 N ATOM 769 CA VAL A 49 23.102 -7.243 6.666 1.00 0.00 C ATOM 770 C VAL A 49 21.793 -6.458 6.666 1.00 0.00 C ATOM 771 O VAL A 49 21.300 -6.059 5.610 1.00 0.00 O ATOM 772 CB VAL A 49 22.818 -8.725 7.005 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.748 -9.296 6.086 1.00 0.00 C ATOM 774 CG2 VAL A 49 24.092 -9.552 6.908 1.00 0.00 C ATOM 0 H VAL A 49 24.313 -7.251 8.379 1.00 0.00 H new ATOM 0 HA VAL A 49 23.554 -7.203 5.675 1.00 0.00 H new ATOM 0 HB VAL A 49 22.451 -8.771 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.566 -10.339 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.826 -8.727 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.085 -9.232 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.870 -10.591 7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.488 -9.492 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.831 -9.165 7.610 1.00 0.00 H new ATOM 784 N TRP A 50 21.251 -6.215 7.856 1.00 0.00 N ATOM 785 CA TRP A 50 19.993 -5.484 7.994 1.00 0.00 C ATOM 786 C TRP A 50 20.111 -4.064 7.444 1.00 0.00 C ATOM 787 O TRP A 50 19.187 -3.562 6.801 1.00 0.00 O ATOM 788 CB TRP A 50 19.536 -5.452 9.455 1.00 0.00 C ATOM 789 CG TRP A 50 19.051 -6.780 9.959 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.622 -7.833 9.202 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.930 -7.195 11.325 1.00 0.00 C ATOM 792 NE1 TRP A 50 18.244 -8.875 10.012 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.421 -8.509 11.319 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.202 -6.583 12.554 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.178 -9.218 12.492 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.962 -7.291 13.718 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.454 -8.595 13.680 1.00 0.00 C ATOM 0 H TRP A 50 21.663 -6.514 8.740 1.00 0.00 H new ATOM 0 HA TRP A 50 19.242 -6.013 7.407 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.364 -5.116 10.079 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.737 -4.718 9.562 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.585 -7.844 8.123 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.889 -9.776 9.692 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.592 -5.577 12.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.786 -10.224 12.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.170 -6.830 14.672 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.276 -9.120 14.607 1.00 0.00 H new ATOM 808 N VAL A 51 21.250 -3.419 7.692 1.00 0.00 N ATOM 809 CA VAL A 51 21.504 -2.087 7.153 1.00 0.00 C ATOM 810 C VAL A 51 21.466 -2.112 5.626 1.00 0.00 C ATOM 811 O VAL A 51 20.856 -1.243 4.998 1.00 0.00 O ATOM 812 CB VAL A 51 22.861 -1.519 7.632 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.172 -0.192 6.950 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.857 -1.338 9.142 1.00 0.00 C ATOM 0 H VAL A 51 22.008 -3.797 8.261 1.00 0.00 H new ATOM 0 HA VAL A 51 20.715 -1.433 7.526 1.00 0.00 H new ATOM 0 HB VAL A 51 23.637 -2.234 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 51 24.131 0.184 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.217 -0.339 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.390 0.530 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.819 -0.938 9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 51 22.064 -0.646 9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.686 -2.301 9.623 1.00 0.00 H new ATOM 824 N ARG A 52 22.097 -3.122 5.043 1.00 0.00 N ATOM 825 CA ARG A 52 22.093 -3.303 3.595 1.00 0.00 C ATOM 826 C ARG A 52 20.686 -3.586 3.081 1.00 0.00 C ATOM 827 O ARG A 52 20.267 -3.040 2.058 1.00 0.00 O ATOM 828 CB ARG A 52 23.036 -4.440 3.199 1.00 0.00 C ATOM 829 CG ARG A 52 24.470 -3.994 2.962 1.00 0.00 C ATOM 830 CD ARG A 52 24.574 -3.126 1.719 1.00 0.00 C ATOM 831 NE ARG A 52 23.992 -3.791 0.549 1.00 0.00 N ATOM 832 CZ ARG A 52 24.278 -3.487 -0.715 1.00 0.00 C ATOM 833 NH1 ARG A 52 25.118 -2.499 -1.006 1.00 0.00 N ATOM 834 NH2 ARG A 52 23.704 -4.171 -1.696 1.00 0.00 N ATOM 0 H ARG A 52 22.621 -3.833 5.553 1.00 0.00 H new ATOM 0 HA ARG A 52 22.442 -2.377 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.026 -5.197 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.658 -4.914 2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 24.829 -3.439 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 52 25.113 -4.868 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.063 -2.179 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 52 25.621 -2.893 1.523 1.00 0.00 H new ATOM 0 HE ARG A 52 23.320 -4.540 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.553 -1.962 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 52 25.327 -2.278 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 52 23.050 -4.923 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 52 23.917 -3.945 -2.668 1.00 0.00 H new ATOM 848 N GLN A 53 19.955 -4.434 3.796 1.00 0.00 N ATOM 849 CA GLN A 53 18.581 -4.751 3.427 1.00 0.00 C ATOM 850 C GLN A 53 17.730 -3.488 3.399 1.00 0.00 C ATOM 851 O GLN A 53 16.997 -3.248 2.442 1.00 0.00 O ATOM 852 CB GLN A 53 17.963 -5.762 4.393 1.00 0.00 C ATOM 853 CG GLN A 53 18.623 -7.128 4.359 1.00 0.00 C ATOM 854 CD GLN A 53 17.930 -8.124 5.267 1.00 0.00 C ATOM 855 OE1 GLN A 53 17.340 -7.752 6.280 1.00 0.00 O ATOM 856 NE2 GLN A 53 18.004 -9.398 4.917 1.00 0.00 N ATOM 0 H GLN A 53 20.290 -4.913 4.632 1.00 0.00 H new ATOM 0 HA GLN A 53 18.604 -5.194 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.024 -5.365 5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.905 -5.875 4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.617 -7.506 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 53 19.667 -7.032 4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.503 -9.666 4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.562 -10.112 5.496 1.00 0.00 H new ATOM 865 N HIS A 54 17.859 -2.669 4.436 1.00 0.00 N ATOM 866 CA HIS A 54 17.076 -1.443 4.537 1.00 0.00 C ATOM 867 C HIS A 54 17.565 -0.391 3.538 1.00 0.00 C ATOM 868 O HIS A 54 16.830 0.530 3.182 1.00 0.00 O ATOM 869 CB HIS A 54 17.126 -0.891 5.963 1.00 0.00 C ATOM 870 CG HIS A 54 16.202 0.264 6.206 1.00 0.00 C ATOM 871 ND1 HIS A 54 14.852 0.114 6.438 1.00 0.00 N ATOM 872 CD2 HIS A 54 16.445 1.595 6.255 1.00 0.00 C ATOM 873 CE1 HIS A 54 14.307 1.301 6.621 1.00 0.00 C ATOM 874 NE2 HIS A 54 15.250 2.217 6.515 1.00 0.00 N ATOM 0 H HIS A 54 18.496 -2.830 5.216 1.00 0.00 H new ATOM 0 HA HIS A 54 16.042 -1.684 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 54 16.880 -1.692 6.660 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.147 -0.579 6.184 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.401 2.077 6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 54 13.263 1.491 6.824 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.113 3.223 6.611 1.00 0.00 H new ATOM 883 N GLU A 55 18.800 -0.541 3.078 1.00 0.00 N ATOM 884 CA GLU A 55 19.363 0.378 2.098 1.00 0.00 C ATOM 885 C GLU A 55 18.727 0.126 0.731 1.00 0.00 C ATOM 886 O GLU A 55 18.605 1.031 -0.090 1.00 0.00 O ATOM 887 CB GLU A 55 20.886 0.225 2.046 1.00 0.00 C ATOM 888 CG GLU A 55 21.592 1.299 1.239 1.00 0.00 C ATOM 889 CD GLU A 55 23.058 1.422 1.604 1.00 0.00 C ATOM 890 OE1 GLU A 55 23.860 0.559 1.192 1.00 0.00 O ATOM 891 OE2 GLU A 55 23.413 2.378 2.331 1.00 0.00 O ATOM 0 H GLU A 55 19.430 -1.289 3.367 1.00 0.00 H new ATOM 0 HA GLU A 55 19.143 1.405 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.276 0.236 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.128 -0.750 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.502 1.070 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.098 2.257 1.402 1.00 0.00 H new ATOM 898 N ARG A 56 18.307 -1.115 0.509 1.00 0.00 N ATOM 899 CA ARG A 56 17.535 -1.463 -0.679 1.00 0.00 C ATOM 900 C ARG A 56 16.045 -1.240 -0.431 1.00 0.00 C ATOM 901 O ARG A 56 15.274 -1.018 -1.363 1.00 0.00 O ATOM 902 CB ARG A 56 17.791 -2.912 -1.093 1.00 0.00 C ATOM 903 CG ARG A 56 19.089 -3.108 -1.862 1.00 0.00 C ATOM 904 CD ARG A 56 19.281 -4.560 -2.274 1.00 0.00 C ATOM 905 NE ARG A 56 18.046 -5.141 -2.798 1.00 0.00 N ATOM 906 CZ ARG A 56 17.669 -5.091 -4.077 1.00 0.00 C ATOM 907 NH1 ARG A 56 18.455 -4.541 -4.996 1.00 0.00 N ATOM 908 NH2 ARG A 56 16.506 -5.615 -4.430 1.00 0.00 N ATOM 0 H ARG A 56 18.488 -1.898 1.137 1.00 0.00 H new ATOM 0 HA ARG A 56 17.857 -0.813 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 56 17.810 -3.538 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.959 -3.257 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 56 19.086 -2.475 -2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.930 -2.790 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.063 -4.623 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 56 19.621 -5.140 -1.416 1.00 0.00 H new ATOM 0 HE ARG A 56 17.430 -5.618 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.358 -4.151 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.155 -4.509 -5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.909 -6.051 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.207 -5.583 -5.405 1.00 0.00 H new ATOM 922 N ASP A 57 15.654 -1.311 0.835 1.00 0.00 N ATOM 923 CA ASP A 57 14.287 -0.996 1.255 1.00 0.00 C ATOM 924 C ASP A 57 13.930 0.434 0.864 1.00 0.00 C ATOM 925 O ASP A 57 12.968 0.675 0.133 1.00 0.00 O ATOM 926 CB ASP A 57 14.171 -1.169 2.774 1.00 0.00 C ATOM 927 CG ASP A 57 12.913 -0.565 3.372 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.890 0.662 3.597 1.00 0.00 O ATOM 929 OD2 ASP A 57 11.965 -1.322 3.671 1.00 0.00 O ATOM 0 H ASP A 57 16.270 -1.587 1.600 1.00 0.00 H new ATOM 0 HA ASP A 57 13.594 -1.674 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.199 -2.233 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.041 -0.714 3.248 1.00 0.00 H new ATOM 934 N THR A 58 14.730 1.377 1.343 1.00 0.00 N ATOM 935 CA THR A 58 14.521 2.786 1.053 1.00 0.00 C ATOM 936 C THR A 58 15.291 3.189 -0.207 1.00 0.00 C ATOM 937 O THR A 58 15.410 4.368 -0.544 1.00 0.00 O ATOM 938 CB THR A 58 14.964 3.645 2.253 1.00 0.00 C ATOM 939 OG1 THR A 58 14.530 3.021 3.471 1.00 0.00 O ATOM 940 CG2 THR A 58 14.379 5.047 2.178 1.00 0.00 C ATOM 0 H THR A 58 15.536 1.187 1.939 1.00 0.00 H new ATOM 0 HA THR A 58 13.459 2.955 0.877 1.00 0.00 H new ATOM 0 HB THR A 58 16.051 3.723 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.870 2.327 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.711 5.626 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.715 5.533 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.291 4.988 2.179 1.00 0.00 H new ATOM 948 N GLY A 59 15.791 2.187 -0.910 1.00 0.00 N ATOM 949 CA GLY A 59 16.516 2.419 -2.139 1.00 0.00 C ATOM 950 C GLY A 59 16.121 1.426 -3.208 1.00 0.00 C ATOM 951 O GLY A 59 14.938 1.277 -3.515 1.00 0.00 O ATOM 0 H GLY A 59 15.706 1.205 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.322 3.432 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.587 2.346 -1.951 1.00 0.00 H new ATOM 955 N GLY A 60 17.101 0.734 -3.769 1.00 0.00 N ATOM 956 CA GLY A 60 16.806 -0.292 -4.751 1.00 0.00 C ATOM 957 C GLY A 60 17.282 0.074 -6.140 1.00 0.00 C ATOM 958 O GLY A 60 17.637 -0.807 -6.929 1.00 0.00 O ATOM 0 H GLY A 60 18.092 0.863 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.275 -1.227 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.731 -0.468 -4.775 1.00 0.00 H new ATOM 962 N ASP A 61 17.296 1.369 -6.446 1.00 0.00 N ATOM 963 CA ASP A 61 17.743 1.842 -7.755 1.00 0.00 C ATOM 964 C ASP A 61 19.235 1.587 -7.921 1.00 0.00 C ATOM 965 O ASP A 61 19.712 1.262 -9.010 1.00 0.00 O ATOM 966 CB ASP A 61 17.443 3.331 -7.918 1.00 0.00 C ATOM 967 CG ASP A 61 17.710 3.825 -9.322 1.00 0.00 C ATOM 968 OD1 ASP A 61 16.844 3.627 -10.197 1.00 0.00 O ATOM 969 OD2 ASP A 61 18.781 4.417 -9.562 1.00 0.00 O ATOM 0 H ASP A 61 17.004 2.109 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 61 17.201 1.294 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.400 3.518 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.051 3.900 -7.214 1.00 0.00 H new ATOM 974 N ASP A 62 19.957 1.725 -6.824 1.00 0.00 N ATOM 975 CA ASP A 62 21.373 1.408 -6.789 1.00 0.00 C ATOM 976 C ASP A 62 21.618 0.286 -5.786 1.00 0.00 C ATOM 977 O ASP A 62 20.843 0.110 -4.843 1.00 0.00 O ATOM 978 CB ASP A 62 22.202 2.647 -6.426 1.00 0.00 C ATOM 979 CG ASP A 62 23.664 2.318 -6.208 1.00 0.00 C ATOM 980 OD1 ASP A 62 24.258 1.637 -7.067 1.00 0.00 O ATOM 981 OD2 ASP A 62 24.219 2.702 -5.158 1.00 0.00 O ATOM 0 H ASP A 62 19.581 2.058 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 62 21.686 1.078 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.113 3.386 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.796 3.101 -5.522 1.00 0.00 H new ATOM 986 N GLY A 63 22.681 -0.474 -6.003 1.00 0.00 N ATOM 987 CA GLY A 63 22.993 -1.586 -5.126 1.00 0.00 C ATOM 988 C GLY A 63 24.314 -1.401 -4.403 1.00 0.00 C ATOM 989 O GLY A 63 24.859 -2.352 -3.838 1.00 0.00 O ATOM 0 H GLY A 63 23.336 -0.341 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.194 -1.702 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 63 23.027 -2.506 -5.709 1.00 0.00 H new ATOM 993 N GLY A 64 24.829 -0.179 -4.415 1.00 0.00 N ATOM 994 CA GLY A 64 26.098 0.098 -3.770 1.00 0.00 C ATOM 995 C GLY A 64 27.171 0.483 -4.766 1.00 0.00 C ATOM 996 O GLY A 64 28.361 0.299 -4.512 1.00 0.00 O ATOM 0 H GLY A 64 24.390 0.627 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.969 0.904 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 64 26.420 -0.781 -3.212 1.00 0.00 H new ATOM 1000 N LEU A 65 26.746 1.009 -5.906 1.00 0.00 N ATOM 1001 CA LEU A 65 27.674 1.455 -6.938 1.00 0.00 C ATOM 1002 C LEU A 65 27.602 2.967 -7.085 1.00 0.00 C ATOM 1003 O LEU A 65 28.356 3.561 -7.861 1.00 0.00 O ATOM 1004 CB LEU A 65 27.349 0.789 -8.278 1.00 0.00 C ATOM 1005 CG LEU A 65 27.457 -0.736 -8.299 1.00 0.00 C ATOM 1006 CD1 LEU A 65 27.045 -1.274 -9.660 1.00 0.00 C ATOM 1007 CD2 LEU A 65 28.873 -1.176 -7.953 1.00 0.00 C ATOM 0 H LEU A 65 25.762 1.138 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 65 28.683 1.170 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.335 1.068 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.019 1.194 -9.037 1.00 0.00 H new ATOM 0 HG LEU A 65 26.781 -1.143 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.127 -2.361 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.014 -0.987 -9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.699 -0.860 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 65 28.931 -2.264 -7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.571 -0.762 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 65 29.132 -0.817 -6.957 1.00 0.00 H new ATOM 1019 N THR A 66 26.693 3.573 -6.316 1.00 0.00 N ATOM 1020 CA THR A 66 26.413 5.007 -6.370 1.00 0.00 C ATOM 1021 C THR A 66 26.137 5.460 -7.804 1.00 0.00 C ATOM 1022 O THR A 66 25.205 4.972 -8.448 1.00 0.00 O ATOM 1023 CB THR A 66 27.537 5.863 -5.720 1.00 0.00 C ATOM 1024 OG1 THR A 66 28.817 5.565 -6.297 1.00 0.00 O ATOM 1025 CG2 THR A 66 27.595 5.621 -4.220 1.00 0.00 C ATOM 0 H THR A 66 26.125 3.074 -5.631 1.00 0.00 H new ATOM 0 HA THR A 66 25.513 5.171 -5.778 1.00 0.00 H new ATOM 0 HB THR A 66 27.301 6.910 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.691 5.088 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.388 6.229 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 66 26.640 5.893 -3.770 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.799 4.567 -4.029 1.00 0.00 H new ATOM 1033 N THR A 67 26.950 6.369 -8.309 1.00 0.00 N ATOM 1034 CA THR A 67 26.788 6.875 -9.660 1.00 0.00 C ATOM 1035 C THR A 67 28.143 7.093 -10.315 1.00 0.00 C ATOM 1036 O THR A 67 29.156 7.243 -9.628 1.00 0.00 O ATOM 1037 CB THR A 67 25.996 8.204 -9.673 1.00 0.00 C ATOM 1038 OG1 THR A 67 26.418 9.047 -8.587 1.00 0.00 O ATOM 1039 CG2 THR A 67 24.501 7.952 -9.572 1.00 0.00 C ATOM 0 H THR A 67 27.735 6.775 -7.800 1.00 0.00 H new ATOM 0 HA THR A 67 26.227 6.128 -10.222 1.00 0.00 H new ATOM 0 HB THR A 67 26.200 8.704 -10.620 1.00 0.00 H new ATOM 0 HG1 THR A 67 25.911 9.885 -8.607 1.00 0.00 H new ATOM 0 HG21 THR A 67 23.970 8.904 -9.583 1.00 0.00 H new ATOM 0 HG22 THR A 67 24.176 7.345 -10.417 1.00 0.00 H new ATOM 0 HG23 THR A 67 24.283 7.426 -8.643 1.00 0.00 H new ATOM 1047 N ALA A 68 28.165 7.094 -11.635 1.00 0.00 N ATOM 1048 CA ALA A 68 29.374 7.425 -12.364 1.00 0.00 C ATOM 1049 C ALA A 68 29.501 8.938 -12.467 1.00 0.00 C ATOM 1050 O ALA A 68 28.505 9.653 -12.375 1.00 0.00 O ATOM 1051 CB ALA A 68 29.362 6.793 -13.746 1.00 0.00 C ATOM 0 H ALA A 68 27.362 6.870 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 68 30.234 7.028 -11.826 1.00 0.00 H new ATOM 0 HB1 ALA A 68 30.279 7.055 -14.274 1.00 0.00 H new ATOM 0 HB2 ALA A 68 29.296 5.709 -13.650 1.00 0.00 H new ATOM 0 HB3 ALA A 68 28.503 7.161 -14.307 1.00 0.00 H new ATOM 1057 N GLU A 69 30.716 9.422 -12.668 1.00 0.00 N ATOM 1058 CA GLU A 69 30.976 10.858 -12.731 1.00 0.00 C ATOM 1059 C GLU A 69 30.482 11.457 -14.053 1.00 0.00 C ATOM 1060 O GLU A 69 30.734 12.624 -14.353 1.00 0.00 O ATOM 1061 CB GLU A 69 32.473 11.132 -12.565 1.00 0.00 C ATOM 1062 CG GLU A 69 33.117 10.360 -11.420 1.00 0.00 C ATOM 1063 CD GLU A 69 33.723 9.039 -11.861 1.00 0.00 C ATOM 1064 OE1 GLU A 69 32.973 8.137 -12.291 1.00 0.00 O ATOM 1065 OE2 GLU A 69 34.961 8.904 -11.791 1.00 0.00 O ATOM 0 H GLU A 69 31.545 8.840 -12.791 1.00 0.00 H new ATOM 0 HA GLU A 69 30.428 11.332 -11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 69 32.984 10.879 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 69 32.621 12.199 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 69 33.893 10.976 -10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 69 32.369 10.171 -10.650 1.00 0.00 H new ATOM 1072 N ARG A 70 29.770 10.653 -14.828 1.00 0.00 N ATOM 1073 CA ARG A 70 29.258 11.069 -16.123 1.00 0.00 C ATOM 1074 C ARG A 70 27.744 11.250 -16.045 1.00 0.00 C ATOM 1075 O ARG A 70 26.983 10.302 -16.248 1.00 0.00 O ATOM 1076 CB ARG A 70 29.636 10.023 -17.177 1.00 0.00 C ATOM 1077 CG ARG A 70 31.136 9.754 -17.230 1.00 0.00 C ATOM 1078 CD ARG A 70 31.468 8.520 -18.050 1.00 0.00 C ATOM 1079 NE ARG A 70 31.037 8.648 -19.439 1.00 0.00 N ATOM 1080 CZ ARG A 70 31.839 9.021 -20.436 1.00 0.00 C ATOM 1081 NH1 ARG A 70 33.101 9.356 -20.191 1.00 0.00 N ATOM 1082 NH2 ARG A 70 31.375 9.063 -21.677 1.00 0.00 N ATOM 0 H ARG A 70 29.531 9.694 -14.576 1.00 0.00 H new ATOM 0 HA ARG A 70 29.699 12.024 -16.409 1.00 0.00 H new ATOM 0 HB2 ARG A 70 29.112 9.092 -16.963 1.00 0.00 H new ATOM 0 HB3 ARG A 70 29.297 10.361 -18.156 1.00 0.00 H new ATOM 0 HG2 ARG A 70 31.644 10.619 -17.656 1.00 0.00 H new ATOM 0 HG3 ARG A 70 31.517 9.628 -16.217 1.00 0.00 H new ATOM 0 HD2 ARG A 70 32.543 8.344 -18.020 1.00 0.00 H new ATOM 0 HD3 ARG A 70 30.990 7.649 -17.602 1.00 0.00 H new ATOM 0 HE ARG A 70 30.063 8.439 -19.660 1.00 0.00 H new ATOM 0 HH11 ARG A 70 33.460 9.328 -19.237 1.00 0.00 H new ATOM 0 HH12 ARG A 70 33.711 9.641 -20.957 1.00 0.00 H new ATOM 0 HH21 ARG A 70 30.405 8.810 -21.868 1.00 0.00 H new ATOM 0 HH22 ARG A 70 31.988 9.348 -22.441 1.00 0.00 H new ATOM 1096 N GLN A 71 27.322 12.462 -15.703 1.00 0.00 N ATOM 1097 CA GLN A 71 25.911 12.774 -15.502 1.00 0.00 C ATOM 1098 C GLN A 71 25.714 14.286 -15.569 1.00 0.00 C ATOM 1099 O GLN A 71 26.629 15.045 -15.244 1.00 0.00 O ATOM 1100 CB GLN A 71 25.444 12.245 -14.135 1.00 0.00 C ATOM 1101 CG GLN A 71 23.957 12.441 -13.854 1.00 0.00 C ATOM 1102 CD GLN A 71 23.061 11.534 -14.680 1.00 0.00 C ATOM 1103 OE1 GLN A 71 23.526 10.326 -14.964 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 21.941 11.906 -15.032 1.00 0.00 N flip ATOM 0 H GLN A 71 27.947 13.255 -15.557 1.00 0.00 H new ATOM 0 HA GLN A 71 25.320 12.296 -16.283 1.00 0.00 H new ATOM 0 HB2 GLN A 71 25.675 11.182 -14.073 1.00 0.00 H new ATOM 0 HB3 GLN A 71 26.017 12.742 -13.352 1.00 0.00 H new ATOM 0 HG2 GLN A 71 23.768 12.260 -12.796 1.00 0.00 H new ATOM 0 HG3 GLN A 71 23.691 13.479 -14.052 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.617 12.844 -14.795 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.337 11.276 -15.561 1.00 0.00 H new ATOM 1113 N ARG A 72 24.543 14.724 -16.006 1.00 0.00 N ATOM 1114 CA ARG A 72 24.230 16.147 -16.022 1.00 0.00 C ATOM 1115 C ARG A 72 23.794 16.604 -14.634 1.00 0.00 C ATOM 1116 O ARG A 72 22.963 15.965 -13.992 1.00 0.00 O ATOM 1117 CB ARG A 72 23.121 16.458 -17.033 1.00 0.00 C ATOM 1118 CG ARG A 72 22.932 17.950 -17.277 1.00 0.00 C ATOM 1119 CD ARG A 72 21.683 18.245 -18.093 1.00 0.00 C ATOM 1120 NE ARG A 72 20.453 18.020 -17.330 1.00 0.00 N ATOM 1121 CZ ARG A 72 19.535 18.964 -17.111 1.00 0.00 C ATOM 1122 NH1 ARG A 72 19.712 20.190 -17.592 1.00 0.00 N ATOM 1123 NH2 ARG A 72 18.442 18.683 -16.414 1.00 0.00 N ATOM 0 H ARG A 72 23.797 14.120 -16.352 1.00 0.00 H new ATOM 0 HA ARG A 72 25.131 16.684 -16.318 1.00 0.00 H new ATOM 0 HB2 ARG A 72 23.353 15.968 -17.979 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.183 16.033 -16.676 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.869 18.468 -16.320 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.805 18.345 -17.797 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.711 19.280 -18.435 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.676 17.615 -18.983 1.00 0.00 H new ATOM 0 HE ARG A 72 20.289 17.090 -16.945 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.550 20.411 -18.129 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.010 20.910 -17.424 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.301 17.743 -16.043 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.743 19.407 -16.249 1.00 0.00 H new ATOM 1137 N LEU A 73 24.362 17.708 -14.170 1.00 0.00 N ATOM 1138 CA LEU A 73 23.997 18.254 -12.874 1.00 0.00 C ATOM 1139 C LEU A 73 22.680 19.015 -12.976 1.00 0.00 C ATOM 1140 O LEU A 73 22.343 19.551 -14.033 1.00 0.00 O ATOM 1141 CB LEU A 73 25.101 19.171 -12.319 1.00 0.00 C ATOM 1142 CG LEU A 73 25.331 20.491 -13.071 1.00 0.00 C ATOM 1143 CD1 LEU A 73 26.159 21.443 -12.222 1.00 0.00 C ATOM 1144 CD2 LEU A 73 26.024 20.250 -14.407 1.00 0.00 C ATOM 0 H LEU A 73 25.074 18.240 -14.670 1.00 0.00 H new ATOM 0 HA LEU A 73 23.876 17.421 -12.181 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.862 19.405 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 73 26.038 18.613 -12.312 1.00 0.00 H new ATOM 0 HG LEU A 73 24.357 20.940 -13.267 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.315 22.374 -12.766 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.633 21.651 -11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 73 27.124 20.987 -12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 73 26.173 21.202 -14.916 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.990 19.775 -14.235 1.00 0.00 H new ATOM 0 HD23 LEU A 73 25.405 19.601 -15.026 1.00 0.00 H new ATOM 1156 N LYS A 74 21.936 19.051 -11.881 1.00 0.00 N ATOM 1157 CA LYS A 74 20.635 19.709 -11.863 1.00 0.00 C ATOM 1158 C LYS A 74 20.730 21.100 -11.239 1.00 0.00 C ATOM 1159 O LYS A 74 20.554 22.109 -11.927 1.00 0.00 O ATOM 1160 CB LYS A 74 19.621 18.837 -11.116 1.00 0.00 C ATOM 1161 CG LYS A 74 19.350 17.509 -11.809 1.00 0.00 C ATOM 1162 CD LYS A 74 18.452 16.604 -10.980 1.00 0.00 C ATOM 1163 CE LYS A 74 18.190 15.286 -11.693 1.00 0.00 C ATOM 1164 NZ LYS A 74 17.472 14.311 -10.828 1.00 0.00 N ATOM 0 H LYS A 74 22.210 18.633 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 74 20.295 19.837 -12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 74 19.989 18.645 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.684 19.385 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.883 17.694 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.295 17.002 -12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.918 16.411 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.506 17.108 -10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.603 15.472 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.138 14.854 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.315 13.428 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.043 14.112 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.555 14.710 -10.542 1.00 0.00 H new ATOM 1178 N GLU A 75 21.005 21.158 -9.945 1.00 0.00 N ATOM 1179 CA GLU A 75 21.177 22.431 -9.264 1.00 0.00 C ATOM 1180 C GLU A 75 22.472 22.434 -8.459 1.00 0.00 C ATOM 1181 O GLU A 75 22.750 21.498 -7.709 1.00 0.00 O ATOM 1182 CB GLU A 75 19.979 22.733 -8.354 1.00 0.00 C ATOM 1183 CG GLU A 75 19.702 21.669 -7.300 1.00 0.00 C ATOM 1184 CD GLU A 75 18.565 22.050 -6.374 1.00 0.00 C ATOM 1185 OE1 GLU A 75 17.398 21.755 -6.707 1.00 0.00 O ATOM 1186 OE2 GLU A 75 18.830 22.646 -5.307 1.00 0.00 O ATOM 0 H GLU A 75 21.114 20.339 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 75 21.235 23.215 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.150 23.686 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.090 22.853 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.464 20.727 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 75 20.604 21.501 -6.712 1.00 0.00 H new ATOM 1193 N PRO A 76 23.305 23.467 -8.639 1.00 0.00 N ATOM 1194 CA PRO A 76 24.548 23.611 -7.899 1.00 0.00 C ATOM 1195 C PRO A 76 24.352 24.341 -6.571 1.00 0.00 C ATOM 1196 O PRO A 76 23.859 25.472 -6.530 1.00 0.00 O ATOM 1197 CB PRO A 76 25.412 24.435 -8.852 1.00 0.00 C ATOM 1198 CG PRO A 76 24.445 25.274 -9.628 1.00 0.00 C ATOM 1199 CD PRO A 76 23.108 24.567 -9.598 1.00 0.00 C ATOM 0 HA PRO A 76 24.985 22.651 -7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 76 26.121 25.056 -8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 76 25.994 23.792 -9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 76 24.363 26.269 -9.191 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.787 25.404 -10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.310 25.237 -9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 76 22.833 24.192 -10.584 1.00 0.00 H new ATOM 1207 N GLU A 77 24.752 23.696 -5.485 1.00 0.00 N ATOM 1208 CA GLU A 77 24.639 24.286 -4.156 1.00 0.00 C ATOM 1209 C GLU A 77 25.880 25.115 -3.836 1.00 0.00 C ATOM 1210 O GLU A 77 26.325 25.177 -2.689 1.00 0.00 O ATOM 1211 CB GLU A 77 24.448 23.191 -3.107 1.00 0.00 C ATOM 1212 CG GLU A 77 23.168 22.402 -3.290 1.00 0.00 C ATOM 1213 CD GLU A 77 22.942 21.402 -2.180 1.00 0.00 C ATOM 1214 OE1 GLU A 77 22.459 21.809 -1.103 1.00 0.00 O ATOM 1215 OE2 GLU A 77 23.247 20.206 -2.376 1.00 0.00 O ATOM 0 H GLU A 77 25.159 22.761 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 77 23.769 24.943 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 77 25.296 22.508 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 77 24.449 23.643 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 77 22.324 23.090 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 77 23.201 21.878 -4.245 1.00 0.00 H new ATOM 1222 N ARG A 78 26.423 25.752 -4.869 1.00 0.00 N ATOM 1223 CA ARG A 78 27.614 26.587 -4.750 1.00 0.00 C ATOM 1224 C ARG A 78 27.398 27.717 -3.751 1.00 0.00 C ATOM 1225 O ARG A 78 28.154 27.873 -2.793 1.00 0.00 O ATOM 1226 CB ARG A 78 27.958 27.175 -6.120 1.00 0.00 C ATOM 1227 CG ARG A 78 29.081 28.200 -6.090 1.00 0.00 C ATOM 1228 CD ARG A 78 29.194 28.932 -7.416 1.00 0.00 C ATOM 1229 NE ARG A 78 27.962 29.649 -7.746 1.00 0.00 N ATOM 1230 CZ ARG A 78 27.219 29.400 -8.822 1.00 0.00 C ATOM 1231 NH1 ARG A 78 27.603 28.491 -9.707 1.00 0.00 N ATOM 1232 NH2 ARG A 78 26.085 30.059 -9.015 1.00 0.00 N ATOM 0 H ARG A 78 26.048 25.703 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 78 28.435 25.967 -4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 78 28.238 26.364 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 78 27.066 27.641 -6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 78 28.900 28.918 -5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 78 30.024 27.703 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 78 30.025 29.637 -7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 78 29.422 28.218 -8.207 1.00 0.00 H new ATOM 0 HE ARG A 78 27.653 30.386 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 78 28.473 27.977 -9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 78 27.029 28.305 -10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 78 25.780 30.759 -8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 78 25.517 29.866 -9.840 1.00 0.00 H new ATOM 1246 N GLU A 79 26.354 28.493 -3.975 1.00 0.00 N ATOM 1247 CA GLU A 79 26.091 29.668 -3.165 1.00 0.00 C ATOM 1248 C GLU A 79 24.982 29.396 -2.160 1.00 0.00 C ATOM 1249 O GLU A 79 24.021 28.685 -2.454 1.00 0.00 O ATOM 1250 CB GLU A 79 25.722 30.849 -4.070 1.00 0.00 C ATOM 1251 CG GLU A 79 24.590 30.539 -5.034 1.00 0.00 C ATOM 1252 CD GLU A 79 24.394 31.622 -6.071 1.00 0.00 C ATOM 1253 OE1 GLU A 79 25.169 31.653 -7.050 1.00 0.00 O ATOM 1254 OE2 GLU A 79 23.466 32.443 -5.915 1.00 0.00 O ATOM 0 H GLU A 79 25.671 28.330 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 79 26.993 29.918 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.438 31.698 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.602 31.150 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.795 29.593 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 79 23.665 30.408 -4.472 1.00 0.00 H new ATOM 1261 N ASN A 80 25.136 29.945 -0.964 1.00 0.00 N ATOM 1262 CA ASN A 80 24.106 29.850 0.063 1.00 0.00 C ATOM 1263 C ASN A 80 23.197 31.063 -0.034 1.00 0.00 C ATOM 1264 O ASN A 80 23.669 32.200 -0.074 1.00 0.00 O ATOM 1265 CB ASN A 80 24.728 29.743 1.463 1.00 0.00 C ATOM 1266 CG ASN A 80 25.245 28.345 1.782 1.00 0.00 C ATOM 1267 OD1 ASN A 80 25.658 27.606 0.761 1.00 0.00 O flip ATOM 1268 ND2 ASN A 80 25.272 27.932 2.944 1.00 0.00 N flip ATOM 0 H ASN A 80 25.967 30.463 -0.679 1.00 0.00 H new ATOM 0 HA ASN A 80 23.521 28.945 -0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.549 30.455 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 80 23.984 30.028 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 80 24.946 28.528 3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 80 25.620 26.994 3.144 1.00 0.00 H new ATOM 1275 N ARG A 81 21.899 30.820 -0.088 1.00 0.00 N ATOM 1276 CA ARG A 81 20.945 31.871 -0.398 1.00 0.00 C ATOM 1277 C ARG A 81 20.277 32.404 0.865 1.00 0.00 C ATOM 1278 O ARG A 81 19.427 31.741 1.461 1.00 0.00 O ATOM 1279 CB ARG A 81 19.885 31.345 -1.368 1.00 0.00 C ATOM 1280 CG ARG A 81 20.454 30.452 -2.458 1.00 0.00 C ATOM 1281 CD ARG A 81 19.392 30.033 -3.461 1.00 0.00 C ATOM 1282 NE ARG A 81 19.117 31.078 -4.444 1.00 0.00 N ATOM 1283 CZ ARG A 81 17.930 31.285 -5.012 1.00 0.00 C ATOM 1284 NH1 ARG A 81 16.872 30.571 -4.648 1.00 0.00 N ATOM 1285 NH2 ARG A 81 17.809 32.218 -5.945 1.00 0.00 N ATOM 0 H ARG A 81 21.481 29.904 0.079 1.00 0.00 H new ATOM 0 HA ARG A 81 21.488 32.693 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.135 30.788 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.375 32.190 -1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 81 21.255 30.978 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.896 29.564 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.718 29.129 -3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.473 29.784 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 81 19.886 31.691 -4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.963 29.856 -3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.968 30.738 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.621 32.770 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.904 32.384 -6.386 1.00 0.00 H new ATOM 1299 N GLU A 82 20.681 33.597 1.275 1.00 0.00 N ATOM 1300 CA GLU A 82 20.061 34.274 2.407 1.00 0.00 C ATOM 1301 C GLU A 82 19.917 35.759 2.102 1.00 0.00 C ATOM 1302 O GLU A 82 20.885 36.424 1.736 1.00 0.00 O ATOM 1303 CB GLU A 82 20.882 34.070 3.686 1.00 0.00 C ATOM 1304 CG GLU A 82 20.266 34.720 4.919 1.00 0.00 C ATOM 1305 CD GLU A 82 18.847 34.253 5.167 1.00 0.00 C ATOM 1306 OE1 GLU A 82 17.910 34.870 4.619 1.00 0.00 O ATOM 1307 OE2 GLU A 82 18.659 33.257 5.897 1.00 0.00 O ATOM 0 H GLU A 82 21.440 34.120 0.838 1.00 0.00 H new ATOM 0 HA GLU A 82 19.073 33.843 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.995 33.001 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 82 21.882 34.475 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.879 34.492 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.274 35.803 4.798 1.00 0.00 H new ATOM 1314 N LEU A 83 18.702 36.270 2.229 1.00 0.00 N ATOM 1315 CA LEU A 83 18.431 37.665 1.927 1.00 0.00 C ATOM 1316 C LEU A 83 17.699 38.342 3.085 1.00 0.00 C ATOM 1317 O LEU A 83 17.374 39.525 3.018 1.00 0.00 O ATOM 1318 CB LEU A 83 17.594 37.766 0.650 1.00 0.00 C ATOM 1319 CG LEU A 83 17.453 39.173 0.071 1.00 0.00 C ATOM 1320 CD1 LEU A 83 18.796 39.670 -0.436 1.00 0.00 C ATOM 1321 CD2 LEU A 83 16.417 39.192 -1.040 1.00 0.00 C ATOM 0 H LEU A 83 17.889 35.739 2.539 1.00 0.00 H new ATOM 0 HA LEU A 83 19.382 38.176 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.039 37.122 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.598 37.374 0.856 1.00 0.00 H new ATOM 0 HG LEU A 83 17.114 39.843 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.681 40.673 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.510 39.694 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.162 39.000 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.331 40.202 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.723 38.512 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.452 38.875 -0.643 1.00 0.00 H new ATOM 1333 N ARG A 84 17.445 37.594 4.151 1.00 0.00 N ATOM 1334 CA ARG A 84 16.694 38.123 5.286 1.00 0.00 C ATOM 1335 C ARG A 84 17.625 38.623 6.378 1.00 0.00 C ATOM 1336 O ARG A 84 17.194 38.952 7.483 1.00 0.00 O ATOM 1337 CB ARG A 84 15.737 37.062 5.823 1.00 0.00 C ATOM 1338 CG ARG A 84 14.609 36.770 4.851 1.00 0.00 C ATOM 1339 CD ARG A 84 13.770 38.012 4.625 1.00 0.00 C ATOM 1340 NE ARG A 84 13.044 37.977 3.361 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.830 38.486 3.198 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.161 38.945 4.245 1.00 0.00 N ATOM 1343 NH2 ARG A 84 11.278 38.525 1.997 1.00 0.00 N ATOM 0 H ARG A 84 17.745 36.625 4.255 1.00 0.00 H new ATOM 0 HA ARG A 84 16.108 38.976 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.289 36.144 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.320 37.397 6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.019 36.423 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.983 35.967 5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.060 38.120 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.415 38.890 4.645 1.00 0.00 H new ATOM 0 HE ARG A 84 13.494 37.537 2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.580 38.907 5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.227 39.337 4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.786 38.163 1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.344 38.917 1.877 1.00 0.00 H new ATOM 1357 N ARG A 85 18.900 38.688 6.048 1.00 0.00 N ATOM 1358 CA ARG A 85 19.909 39.221 6.943 1.00 0.00 C ATOM 1359 C ARG A 85 20.928 40.006 6.137 1.00 0.00 C ATOM 1360 O ARG A 85 20.843 40.059 4.907 1.00 0.00 O ATOM 1361 CB ARG A 85 20.604 38.092 7.720 1.00 0.00 C ATOM 1362 CG ARG A 85 19.750 37.505 8.831 1.00 0.00 C ATOM 1363 CD ARG A 85 19.521 38.516 9.941 1.00 0.00 C ATOM 1364 NE ARG A 85 18.505 38.071 10.890 1.00 0.00 N ATOM 1365 CZ ARG A 85 18.637 38.139 12.212 1.00 0.00 C ATOM 1366 NH1 ARG A 85 19.799 38.497 12.748 1.00 0.00 N ATOM 1367 NH2 ARG A 85 17.617 37.815 12.997 1.00 0.00 N ATOM 0 H ARG A 85 19.266 38.372 5.150 1.00 0.00 H new ATOM 0 HA ARG A 85 19.428 39.879 7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 85 20.877 37.298 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 85 21.531 38.474 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.791 37.184 8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 85 20.237 36.619 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 85 20.458 38.691 10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 85 19.218 39.468 9.506 1.00 0.00 H new ATOM 0 HE ARG A 85 17.639 37.683 10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 85 20.591 38.720 12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.899 38.549 13.762 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.733 37.514 12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.717 37.867 14.011 1.00 0.00 H new ATOM 1381 N SER A 86 21.871 40.625 6.820 1.00 0.00 N ATOM 1382 CA SER A 86 22.963 41.298 6.146 1.00 0.00 C ATOM 1383 C SER A 86 23.956 40.254 5.648 1.00 0.00 C ATOM 1384 O SER A 86 24.280 39.310 6.371 1.00 0.00 O ATOM 1385 CB SER A 86 23.647 42.288 7.092 1.00 0.00 C ATOM 1386 OG SER A 86 22.718 43.241 7.590 1.00 0.00 O ATOM 0 H SER A 86 21.903 40.676 7.838 1.00 0.00 H new ATOM 0 HA SER A 86 22.576 41.862 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 86 24.101 41.748 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 86 24.453 42.801 6.567 1.00 0.00 H new ATOM 0 HG SER A 86 23.178 43.862 8.193 1.00 0.00 H new ATOM 1392 N ASN A 87 24.406 40.407 4.408 1.00 0.00 N ATOM 1393 CA ASN A 87 25.355 39.468 3.816 1.00 0.00 C ATOM 1394 C ASN A 87 26.673 39.499 4.573 1.00 0.00 C ATOM 1395 O ASN A 87 27.494 40.399 4.380 1.00 0.00 O ATOM 1396 CB ASN A 87 25.590 39.782 2.337 1.00 0.00 C ATOM 1397 CG ASN A 87 24.419 39.391 1.453 1.00 0.00 C ATOM 1398 OD1 ASN A 87 24.360 38.273 0.943 1.00 0.00 O ATOM 1399 ND2 ASN A 87 23.484 40.308 1.260 1.00 0.00 N ATOM 0 H ASN A 87 24.130 41.172 3.792 1.00 0.00 H new ATOM 0 HA ASN A 87 24.928 38.468 3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.783 40.849 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 87 26.484 39.259 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 87 22.678 40.099 0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 87 23.569 41.224 1.701 1.00 0.00 H new ATOM 1406 N ASP A 88 26.859 38.519 5.444 1.00 0.00 N ATOM 1407 CA ASP A 88 28.038 38.449 6.292 1.00 0.00 C ATOM 1408 C ASP A 88 29.195 37.782 5.564 1.00 0.00 C ATOM 1409 O ASP A 88 29.089 37.436 4.386 1.00 0.00 O ATOM 1410 CB ASP A 88 27.732 37.671 7.580 1.00 0.00 C ATOM 1411 CG ASP A 88 27.492 36.189 7.333 1.00 0.00 C ATOM 1412 OD1 ASP A 88 28.479 35.434 7.221 1.00 0.00 O ATOM 1413 OD2 ASP A 88 26.318 35.775 7.254 1.00 0.00 O ATOM 0 H ASP A 88 26.200 37.753 5.582 1.00 0.00 H new ATOM 0 HA ASP A 88 28.322 39.470 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 88 28.563 37.788 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 88 26.852 38.102 8.058 1.00 0.00 H new ATOM 1418 N ILE A 89 30.299 37.622 6.273 1.00 0.00 N ATOM 1419 CA ILE A 89 31.465 36.921 5.760 1.00 0.00 C ATOM 1420 C ILE A 89 32.010 35.998 6.843 1.00 0.00 C ATOM 1421 O ILE A 89 33.193 35.651 6.854 1.00 0.00 O ATOM 1422 CB ILE A 89 32.569 37.905 5.312 1.00 0.00 C ATOM 1423 CG1 ILE A 89 32.930 38.867 6.450 1.00 0.00 C ATOM 1424 CG2 ILE A 89 32.134 38.673 4.072 1.00 0.00 C ATOM 1425 CD1 ILE A 89 34.005 39.868 6.084 1.00 0.00 C ATOM 0 H ILE A 89 30.413 37.975 7.223 1.00 0.00 H new ATOM 0 HA ILE A 89 31.160 36.342 4.888 1.00 0.00 H new ATOM 0 HB ILE A 89 33.459 37.329 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 89 32.033 39.406 6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 89 33.263 38.288 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 89 32.926 39.360 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 89 31.936 37.972 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 89 31.228 39.237 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 89 34.207 40.514 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 89 34.916 39.338 5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 89 33.667 40.474 5.243 1.00 0.00 H new ATOM 1437 N LEU A 90 31.121 35.584 7.739 1.00 0.00 N ATOM 1438 CA LEU A 90 31.502 34.807 8.907 1.00 0.00 C ATOM 1439 C LEU A 90 31.074 33.352 8.750 1.00 0.00 C ATOM 1440 O LEU A 90 29.885 33.048 8.657 1.00 0.00 O ATOM 1441 CB LEU A 90 30.872 35.387 10.184 1.00 0.00 C ATOM 1442 CG LEU A 90 31.405 36.747 10.656 1.00 0.00 C ATOM 1443 CD1 LEU A 90 30.913 37.877 9.760 1.00 0.00 C ATOM 1444 CD2 LEU A 90 30.990 37.002 12.098 1.00 0.00 C ATOM 0 H LEU A 90 30.122 35.778 7.675 1.00 0.00 H new ATOM 0 HA LEU A 90 32.587 34.855 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.798 35.479 10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 90 31.012 34.667 10.991 1.00 0.00 H new ATOM 0 HG LEU A 90 32.493 36.720 10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 90 31.308 38.826 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 90 31.255 37.707 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.824 37.907 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.374 37.970 12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.902 37.001 12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.396 36.218 12.738 1.00 0.00 H new ATOM 1456 N ARG A 91 32.045 32.457 8.718 1.00 0.00 N ATOM 1457 CA ARG A 91 31.768 31.032 8.633 1.00 0.00 C ATOM 1458 C ARG A 91 32.260 30.336 9.892 1.00 0.00 C ATOM 1459 O ARG A 91 33.460 30.118 10.061 1.00 0.00 O ATOM 1460 CB ARG A 91 32.440 30.429 7.398 1.00 0.00 C ATOM 1461 CG ARG A 91 31.885 30.950 6.082 1.00 0.00 C ATOM 1462 CD ARG A 91 30.452 30.495 5.861 1.00 0.00 C ATOM 1463 NE ARG A 91 29.905 31.026 4.617 1.00 0.00 N ATOM 1464 CZ ARG A 91 29.783 30.316 3.495 1.00 0.00 C ATOM 1465 NH1 ARG A 91 30.162 29.043 3.464 1.00 0.00 N ATOM 1466 NH2 ARG A 91 29.285 30.878 2.403 1.00 0.00 N ATOM 0 H ARG A 91 33.037 32.692 8.750 1.00 0.00 H new ATOM 0 HA ARG A 91 30.691 30.887 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 91 33.509 30.638 7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 91 32.326 29.345 7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 91 31.927 32.039 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 91 32.509 30.601 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 91 30.415 29.406 5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 91 29.834 30.819 6.698 1.00 0.00 H new ATOM 0 HE ARG A 91 29.598 31.998 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 91 30.548 28.605 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 91 30.067 28.503 2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 91 28.994 31.856 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 91 29.193 30.333 1.546 1.00 0.00 H new ATOM 1480 N LEU A 92 31.338 30.017 10.786 1.00 0.00 N ATOM 1481 CA LEU A 92 31.690 29.362 12.035 1.00 0.00 C ATOM 1482 C LEU A 92 31.373 27.874 11.946 1.00 0.00 C ATOM 1483 O LEU A 92 32.280 27.042 11.988 1.00 0.00 O ATOM 1484 CB LEU A 92 30.935 30.013 13.203 1.00 0.00 C ATOM 1485 CG LEU A 92 31.689 30.062 14.540 1.00 0.00 C ATOM 1486 CD1 LEU A 92 30.875 30.816 15.580 1.00 0.00 C ATOM 1487 CD2 LEU A 92 32.018 28.662 15.036 1.00 0.00 C ATOM 0 H LEU A 92 30.341 30.201 10.670 1.00 0.00 H new ATOM 0 HA LEU A 92 32.759 29.478 12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 92 30.672 31.032 12.918 1.00 0.00 H new ATOM 0 HB3 LEU A 92 30.001 29.472 13.354 1.00 0.00 H new ATOM 0 HG LEU A 92 32.628 30.591 14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 92 31.423 30.842 16.522 1.00 0.00 H new ATOM 0 HD12 LEU A 92 30.698 31.835 15.235 1.00 0.00 H new ATOM 0 HD13 LEU A 92 29.920 30.312 15.730 1.00 0.00 H new ATOM 0 HD21 LEU A 92 32.552 28.728 15.984 1.00 0.00 H new ATOM 0 HD22 LEU A 92 31.095 28.100 15.177 1.00 0.00 H new ATOM 0 HD23 LEU A 92 32.644 28.154 14.302 1.00 0.00 H new ATOM 1499 N ALA A 93 30.086 27.560 11.799 1.00 0.00 N ATOM 1500 CA ALA A 93 29.608 26.179 11.713 1.00 0.00 C ATOM 1501 C ALA A 93 29.944 25.389 12.978 1.00 0.00 C ATOM 1502 O ALA A 93 31.029 24.816 13.095 1.00 0.00 O ATOM 1503 CB ALA A 93 30.156 25.484 10.470 1.00 0.00 C ATOM 0 H ALA A 93 29.344 28.257 11.736 1.00 0.00 H new ATOM 0 HA ALA A 93 28.522 26.214 11.627 1.00 0.00 H new ATOM 0 HB1 ALA A 93 29.785 24.460 10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 93 29.830 26.021 9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.245 25.474 10.509 1.00 0.00 H new ATOM 1509 N SER A 94 28.998 25.378 13.918 1.00 0.00 N ATOM 1510 CA SER A 94 29.144 24.673 15.191 1.00 0.00 C ATOM 1511 C SER A 94 30.214 25.325 16.069 1.00 0.00 C ATOM 1512 O SER A 94 31.412 25.078 15.907 1.00 0.00 O ATOM 1513 CB SER A 94 29.462 23.192 14.954 1.00 0.00 C ATOM 1514 OG SER A 94 28.467 22.582 14.139 1.00 0.00 O ATOM 0 H SER A 94 28.105 25.860 13.817 1.00 0.00 H new ATOM 0 HA SER A 94 28.194 24.741 15.722 1.00 0.00 H new ATOM 0 HB2 SER A 94 30.437 23.097 14.476 1.00 0.00 H new ATOM 0 HB3 SER A 94 29.524 22.672 15.910 1.00 0.00 H new ATOM 0 HG SER A 94 28.692 21.638 14.000 1.00 0.00 H new ATOM 1520 N ALA A 95 29.772 26.179 16.986 1.00 0.00 N ATOM 1521 CA ALA A 95 30.677 26.880 17.886 1.00 0.00 C ATOM 1522 C ALA A 95 30.947 26.063 19.141 1.00 0.00 C ATOM 1523 O ALA A 95 30.039 25.445 19.702 1.00 0.00 O ATOM 1524 CB ALA A 95 30.102 28.240 18.257 1.00 0.00 C ATOM 0 H ALA A 95 28.787 26.402 17.125 1.00 0.00 H new ATOM 0 HA ALA A 95 31.624 27.024 17.367 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.788 28.754 18.930 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.965 28.836 17.354 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.140 28.106 18.752 1.00 0.00 H new ATOM 1530 N TYR A 96 32.196 26.061 19.580 1.00 0.00 N ATOM 1531 CA TYR A 96 32.587 25.325 20.773 1.00 0.00 C ATOM 1532 C TYR A 96 32.927 26.282 21.910 1.00 0.00 C ATOM 1533 O TYR A 96 32.679 27.487 21.817 1.00 0.00 O ATOM 1534 CB TYR A 96 33.779 24.415 20.472 1.00 0.00 C ATOM 1535 CG TYR A 96 33.480 23.362 19.431 1.00 0.00 C ATOM 1536 CD1 TYR A 96 32.760 22.221 19.760 1.00 0.00 C ATOM 1537 CD2 TYR A 96 33.911 23.511 18.119 1.00 0.00 C ATOM 1538 CE1 TYR A 96 32.482 21.259 18.812 1.00 0.00 C ATOM 1539 CE2 TYR A 96 33.634 22.554 17.166 1.00 0.00 C ATOM 1540 CZ TYR A 96 32.919 21.432 17.518 1.00 0.00 C ATOM 1541 OH TYR A 96 32.642 20.475 16.569 1.00 0.00 O ATOM 0 H TYR A 96 32.959 26.563 19.126 1.00 0.00 H new ATOM 0 HA TYR A 96 31.745 24.707 21.084 1.00 0.00 H new ATOM 0 HB2 TYR A 96 34.616 25.025 20.132 1.00 0.00 H new ATOM 0 HB3 TYR A 96 34.095 23.926 21.393 1.00 0.00 H new ATOM 0 HD1 TYR A 96 32.413 22.085 20.774 1.00 0.00 H new ATOM 0 HD2 TYR A 96 34.472 24.391 17.841 1.00 0.00 H new ATOM 0 HE1 TYR A 96 31.924 20.375 19.083 1.00 0.00 H new ATOM 0 HE2 TYR A 96 33.976 22.684 16.150 1.00 0.00 H new ATOM 0 HH TYR A 96 33.020 20.750 15.707 1.00 0.00 H new ATOM 1551 N PHE A 97 33.486 25.735 22.976 1.00 0.00 N ATOM 1552 CA PHE A 97 33.822 26.515 24.161 1.00 0.00 C ATOM 1553 C PHE A 97 35.227 27.105 24.054 1.00 0.00 C ATOM 1554 O PHE A 97 35.990 26.762 23.147 1.00 0.00 O ATOM 1555 CB PHE A 97 33.713 25.634 25.414 1.00 0.00 C ATOM 1556 CG PHE A 97 34.451 24.327 25.304 1.00 0.00 C ATOM 1557 CD1 PHE A 97 35.801 24.248 25.603 1.00 0.00 C ATOM 1558 CD2 PHE A 97 33.791 23.180 24.896 1.00 0.00 C ATOM 1559 CE1 PHE A 97 36.480 23.048 25.498 1.00 0.00 C ATOM 1560 CE2 PHE A 97 34.463 21.979 24.789 1.00 0.00 C ATOM 1561 CZ PHE A 97 35.810 21.912 25.090 1.00 0.00 C ATOM 0 H PHE A 97 33.720 24.745 23.047 1.00 0.00 H new ATOM 0 HA PHE A 97 33.115 27.341 24.237 1.00 0.00 H new ATOM 0 HB2 PHE A 97 34.099 26.187 26.270 1.00 0.00 H new ATOM 0 HB3 PHE A 97 32.661 25.431 25.613 1.00 0.00 H new ATOM 0 HD1 PHE A 97 36.330 25.134 25.922 1.00 0.00 H new ATOM 0 HD2 PHE A 97 32.738 23.226 24.659 1.00 0.00 H new ATOM 0 HE1 PHE A 97 37.533 23.000 25.735 1.00 0.00 H new ATOM 0 HE2 PHE A 97 33.936 21.092 24.470 1.00 0.00 H new ATOM 0 HZ PHE A 97 36.337 20.973 25.006 1.00 0.00 H new ATOM 1571 N ALA A 98 35.556 27.999 24.976 1.00 0.00 N ATOM 1572 CA ALA A 98 36.897 28.549 25.061 1.00 0.00 C ATOM 1573 C ALA A 98 37.726 27.733 26.044 1.00 0.00 C ATOM 1574 O ALA A 98 37.529 27.811 27.260 1.00 0.00 O ATOM 1575 CB ALA A 98 36.846 30.009 25.481 1.00 0.00 C ATOM 0 H ALA A 98 34.908 28.358 25.677 1.00 0.00 H new ATOM 0 HA ALA A 98 37.367 28.497 24.079 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.859 30.406 25.540 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.275 30.579 24.748 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.367 30.090 26.457 1.00 0.00 H new ATOM 1581 N LYS A 99 38.642 26.937 25.511 1.00 0.00 N ATOM 1582 CA LYS A 99 39.425 26.025 26.329 1.00 0.00 C ATOM 1583 C LYS A 99 40.513 26.774 27.092 1.00 0.00 C ATOM 1584 O LYS A 99 40.790 26.463 28.251 1.00 0.00 O ATOM 1585 CB LYS A 99 40.050 24.931 25.462 1.00 0.00 C ATOM 1586 CG LYS A 99 40.565 23.744 26.262 1.00 0.00 C ATOM 1587 CD LYS A 99 41.248 22.724 25.363 1.00 0.00 C ATOM 1588 CE LYS A 99 41.555 21.432 26.105 1.00 0.00 C ATOM 1589 NZ LYS A 99 42.412 21.655 27.300 1.00 0.00 N ATOM 0 H LYS A 99 38.860 26.905 24.515 1.00 0.00 H new ATOM 0 HA LYS A 99 38.754 25.562 27.053 1.00 0.00 H new ATOM 0 HB2 LYS A 99 39.310 24.581 24.743 1.00 0.00 H new ATOM 0 HB3 LYS A 99 40.873 25.358 24.889 1.00 0.00 H new ATOM 0 HG2 LYS A 99 41.267 24.091 27.020 1.00 0.00 H new ATOM 0 HG3 LYS A 99 39.736 23.270 26.788 1.00 0.00 H new ATOM 0 HD2 LYS A 99 40.609 22.508 24.507 1.00 0.00 H new ATOM 0 HD3 LYS A 99 42.173 23.147 24.971 1.00 0.00 H new ATOM 0 HE2 LYS A 99 40.621 20.963 26.414 1.00 0.00 H new ATOM 0 HE3 LYS A 99 42.053 20.737 25.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 42.663 20.739 27.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 43.279 22.155 27.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 41.894 22.227 27.997 1.00 0.00 H new ATOM 1603 N ALA A 100 41.119 27.764 26.448 1.00 0.00 N ATOM 1604 CA ALA A 100 42.209 28.508 27.061 1.00 0.00 C ATOM 1605 C ALA A 100 42.235 29.960 26.597 1.00 0.00 C ATOM 1606 O ALA A 100 41.709 30.296 25.536 1.00 0.00 O ATOM 1607 CB ALA A 100 43.538 27.835 26.754 1.00 0.00 C ATOM 0 H ALA A 100 40.875 28.068 25.506 1.00 0.00 H new ATOM 0 HA ALA A 100 42.044 28.510 28.138 1.00 0.00 H new ATOM 0 HB1 ALA A 100 44.347 28.400 27.217 1.00 0.00 H new ATOM 0 HB2 ALA A 100 43.531 26.819 27.149 1.00 0.00 H new ATOM 0 HB3 ALA A 100 43.689 27.803 25.675 1.00 0.00 H new ATOM 1613 N GLU A 101 42.846 30.806 27.415 1.00 0.00 N ATOM 1614 CA GLU A 101 43.026 32.214 27.103 1.00 0.00 C ATOM 1615 C GLU A 101 44.241 32.723 27.876 1.00 0.00 C ATOM 1616 O GLU A 101 44.551 32.197 28.947 1.00 0.00 O ATOM 1617 CB GLU A 101 41.764 33.011 27.464 1.00 0.00 C ATOM 1618 CG GLU A 101 41.836 34.489 27.103 1.00 0.00 C ATOM 1619 CD GLU A 101 42.162 34.731 25.641 1.00 0.00 C ATOM 1620 OE1 GLU A 101 41.224 34.814 24.820 1.00 0.00 O ATOM 1621 OE2 GLU A 101 43.361 34.845 25.308 1.00 0.00 O ATOM 0 H GLU A 101 43.232 30.532 28.318 1.00 0.00 H new ATOM 0 HA GLU A 101 43.194 32.344 26.034 1.00 0.00 H new ATOM 0 HB2 GLU A 101 40.909 32.565 26.956 1.00 0.00 H new ATOM 0 HB3 GLU A 101 41.583 32.918 28.535 1.00 0.00 H new ATOM 0 HG2 GLU A 101 40.882 34.961 27.339 1.00 0.00 H new ATOM 0 HG3 GLU A 101 42.592 34.971 27.722 1.00 0.00 H new ATOM 1628 N PHE A 102 44.936 33.716 27.328 1.00 0.00 N ATOM 1629 CA PHE A 102 46.171 34.217 27.936 1.00 0.00 C ATOM 1630 C PHE A 102 45.892 34.865 29.291 1.00 0.00 C ATOM 1631 O PHE A 102 46.293 34.346 30.334 1.00 0.00 O ATOM 1632 CB PHE A 102 46.867 35.213 27.002 1.00 0.00 C ATOM 1633 CG PHE A 102 48.183 35.721 27.521 1.00 0.00 C ATOM 1634 CD1 PHE A 102 49.328 34.945 27.421 1.00 0.00 C ATOM 1635 CD2 PHE A 102 48.276 36.974 28.103 1.00 0.00 C ATOM 1636 CE1 PHE A 102 50.541 35.410 27.888 1.00 0.00 C ATOM 1637 CE2 PHE A 102 49.485 37.443 28.574 1.00 0.00 C ATOM 1638 CZ PHE A 102 50.619 36.661 28.466 1.00 0.00 C ATOM 0 H PHE A 102 44.668 34.191 26.466 1.00 0.00 H new ATOM 0 HA PHE A 102 46.835 33.367 28.096 1.00 0.00 H new ATOM 0 HB2 PHE A 102 47.029 34.736 26.035 1.00 0.00 H new ATOM 0 HB3 PHE A 102 46.203 36.061 26.832 1.00 0.00 H new ATOM 0 HD1 PHE A 102 49.270 33.964 26.972 1.00 0.00 H new ATOM 0 HD2 PHE A 102 47.393 37.590 28.189 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.426 34.797 27.801 1.00 0.00 H new ATOM 0 HE2 PHE A 102 49.545 38.421 29.027 1.00 0.00 H new ATOM 0 HZ PHE A 102 51.566 37.028 28.834 1.00 0.00 H new ATOM 1648 N ASP A 103 45.203 35.997 29.275 1.00 0.00 N ATOM 1649 CA ASP A 103 44.886 36.703 30.509 1.00 0.00 C ATOM 1650 C ASP A 103 43.570 36.192 31.076 1.00 0.00 C ATOM 1651 O ASP A 103 42.743 35.638 30.349 1.00 0.00 O ATOM 1652 CB ASP A 103 44.824 38.213 30.269 1.00 0.00 C ATOM 1653 CG ASP A 103 44.574 38.993 31.547 1.00 0.00 C ATOM 1654 OD1 ASP A 103 45.116 38.604 32.605 1.00 0.00 O ATOM 1655 OD2 ASP A 103 43.827 39.988 31.506 1.00 0.00 O ATOM 0 H ASP A 103 44.854 36.444 28.427 1.00 0.00 H new ATOM 0 HA ASP A 103 45.677 36.512 31.235 1.00 0.00 H new ATOM 0 HB2 ASP A 103 45.760 38.546 29.821 1.00 0.00 H new ATOM 0 HB3 ASP A 103 44.032 38.432 29.552 1.00 0.00 H new ATOM 1660 N ARG A 104 43.366 36.376 32.369 1.00 0.00 N ATOM 1661 CA ARG A 104 42.188 35.835 33.019 1.00 0.00 C ATOM 1662 C ARG A 104 41.305 36.956 33.551 1.00 0.00 C ATOM 1663 O ARG A 104 41.502 37.440 34.664 1.00 0.00 O ATOM 1664 CB ARG A 104 42.583 34.887 34.153 1.00 0.00 C ATOM 1665 CG ARG A 104 41.498 33.889 34.520 1.00 0.00 C ATOM 1666 CD ARG A 104 41.923 32.998 35.676 1.00 0.00 C ATOM 1667 NE ARG A 104 41.554 33.560 36.976 1.00 0.00 N ATOM 1668 CZ ARG A 104 42.403 34.168 37.802 1.00 0.00 C ATOM 1669 NH1 ARG A 104 43.674 34.339 37.456 1.00 0.00 N ATOM 1670 NH2 ARG A 104 41.977 34.612 38.980 1.00 0.00 N ATOM 0 H ARG A 104 43.996 36.892 32.984 1.00 0.00 H new ATOM 0 HA ARG A 104 41.622 35.270 32.278 1.00 0.00 H new ATOM 0 HB2 ARG A 104 43.482 34.343 33.863 1.00 0.00 H new ATOM 0 HB3 ARG A 104 42.837 35.475 35.035 1.00 0.00 H new ATOM 0 HG2 ARG A 104 40.587 34.424 34.788 1.00 0.00 H new ATOM 0 HG3 ARG A 104 41.262 33.272 33.653 1.00 0.00 H new ATOM 0 HD2 ARG A 104 41.463 32.016 35.563 1.00 0.00 H new ATOM 0 HD3 ARG A 104 43.002 32.850 35.640 1.00 0.00 H new ATOM 0 HE ARG A 104 40.580 33.480 37.269 1.00 0.00 H new ATOM 0 HH11 ARG A 104 44.006 34.004 36.552 1.00 0.00 H new ATOM 0 HH12 ARG A 104 44.318 34.806 38.095 1.00 0.00 H new ATOM 0 HH21 ARG A 104 41.001 34.487 39.250 1.00 0.00 H new ATOM 0 HH22 ARG A 104 42.626 35.078 39.614 1.00 0.00 H new ATOM 1684 N LEU A 105 40.353 37.383 32.737 1.00 0.00 N ATOM 1685 CA LEU A 105 39.380 38.380 33.158 1.00 0.00 C ATOM 1686 C LEU A 105 38.114 37.684 33.632 1.00 0.00 C ATOM 1687 O LEU A 105 37.112 38.324 33.957 1.00 0.00 O ATOM 1688 CB LEU A 105 39.058 39.336 32.005 1.00 0.00 C ATOM 1689 CG LEU A 105 40.237 40.168 31.492 1.00 0.00 C ATOM 1690 CD1 LEU A 105 39.817 41.004 30.296 1.00 0.00 C ATOM 1691 CD2 LEU A 105 40.785 41.061 32.596 1.00 0.00 C ATOM 0 H LEU A 105 40.233 37.054 31.779 1.00 0.00 H new ATOM 0 HA LEU A 105 39.800 38.963 33.978 1.00 0.00 H new ATOM 0 HB2 LEU A 105 38.657 38.755 31.175 1.00 0.00 H new ATOM 0 HB3 LEU A 105 38.269 40.015 32.328 1.00 0.00 H new ATOM 0 HG LEU A 105 41.026 39.485 31.178 1.00 0.00 H new ATOM 0 HD11 LEU A 105 40.667 41.589 29.944 1.00 0.00 H new ATOM 0 HD12 LEU A 105 39.472 40.348 29.497 1.00 0.00 H new ATOM 0 HD13 LEU A 105 39.010 41.676 30.587 1.00 0.00 H new ATOM 0 HD21 LEU A 105 41.622 41.644 32.211 1.00 0.00 H new ATOM 0 HD22 LEU A 105 40.001 41.736 32.941 1.00 0.00 H new ATOM 0 HD23 LEU A 105 41.125 40.444 33.428 1.00 0.00 H new ATOM 1703 N TRP A 106 38.172 36.363 33.667 1.00 0.00 N ATOM 1704 CA TRP A 106 37.035 35.557 34.070 1.00 0.00 C ATOM 1705 C TRP A 106 37.079 35.260 35.562 1.00 0.00 C ATOM 1706 O TRP A 106 37.479 34.176 35.982 1.00 0.00 O ATOM 1707 CB TRP A 106 36.986 34.254 33.269 1.00 0.00 C ATOM 1708 CG TRP A 106 36.800 34.473 31.801 1.00 0.00 C ATOM 1709 CD1 TRP A 106 37.751 34.375 30.824 1.00 0.00 C ATOM 1710 CD2 TRP A 106 35.582 34.838 31.142 1.00 0.00 C ATOM 1711 NE1 TRP A 106 37.198 34.656 29.599 1.00 0.00 N ATOM 1712 CE2 TRP A 106 35.867 34.940 29.770 1.00 0.00 C ATOM 1713 CE3 TRP A 106 34.278 35.080 31.582 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 34.897 35.276 28.832 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 33.317 35.418 30.649 1.00 0.00 C ATOM 1716 CH2 TRP A 106 33.631 35.511 29.288 1.00 0.00 C ATOM 0 H TRP A 106 39.002 35.824 33.419 1.00 0.00 H new ATOM 0 HA TRP A 106 36.129 36.127 33.862 1.00 0.00 H new ATOM 0 HB2 TRP A 106 37.910 33.699 33.433 1.00 0.00 H new ATOM 0 HB3 TRP A 106 36.171 33.635 33.644 1.00 0.00 H new ATOM 0 HD1 TRP A 106 38.786 34.115 30.991 1.00 0.00 H new ATOM 0 HE1 TRP A 106 37.695 34.654 28.708 1.00 0.00 H new ATOM 0 HE3 TRP A 106 34.027 35.004 32.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 35.136 35.349 27.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 32.306 35.614 30.975 1.00 0.00 H new ATOM 0 HH2 TRP A 106 32.856 35.774 28.584 1.00 0.00 H new ATOM 1727 N LYS A 107 36.713 36.249 36.357 1.00 0.00 N ATOM 1728 CA LYS A 107 36.556 36.053 37.783 1.00 0.00 C ATOM 1729 C LYS A 107 35.105 35.716 38.073 1.00 0.00 C ATOM 1730 O LYS A 107 34.281 36.596 38.334 1.00 0.00 O ATOM 1731 CB LYS A 107 37.005 37.290 38.557 1.00 0.00 C ATOM 1732 CG LYS A 107 38.490 37.588 38.400 1.00 0.00 C ATOM 1733 CD LYS A 107 38.925 38.739 39.290 1.00 0.00 C ATOM 1734 CE LYS A 107 38.266 40.046 38.886 1.00 0.00 C ATOM 1735 NZ LYS A 107 38.583 41.137 39.839 1.00 0.00 N ATOM 0 H LYS A 107 36.519 37.198 36.036 1.00 0.00 H new ATOM 0 HA LYS A 107 37.188 35.227 38.110 1.00 0.00 H new ATOM 0 HB2 LYS A 107 36.430 38.152 38.218 1.00 0.00 H new ATOM 0 HB3 LYS A 107 36.778 37.152 39.614 1.00 0.00 H new ATOM 0 HG2 LYS A 107 39.069 36.698 38.646 1.00 0.00 H new ATOM 0 HG3 LYS A 107 38.705 37.830 37.359 1.00 0.00 H new ATOM 0 HD2 LYS A 107 38.675 38.511 40.326 1.00 0.00 H new ATOM 0 HD3 LYS A 107 40.008 38.848 39.240 1.00 0.00 H new ATOM 0 HE2 LYS A 107 38.598 40.328 37.887 1.00 0.00 H new ATOM 0 HE3 LYS A 107 37.186 39.909 38.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 38.116 42.014 39.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 38.244 40.879 40.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 39.612 41.285 39.868 1.00 0.00 H new ATOM 1749 N LYS A 108 34.799 34.435 37.982 1.00 0.00 N ATOM 1750 CA LYS A 108 33.427 33.963 38.008 1.00 0.00 C ATOM 1751 C LYS A 108 33.134 33.229 39.309 1.00 0.00 C ATOM 1752 O LYS A 108 33.614 32.088 39.473 1.00 0.00 O ATOM 1753 CB LYS A 108 33.190 33.052 36.801 1.00 0.00 C ATOM 1754 CG LYS A 108 31.745 32.632 36.602 1.00 0.00 C ATOM 1755 CD LYS A 108 31.582 31.806 35.333 1.00 0.00 C ATOM 1756 CE LYS A 108 32.360 30.502 35.410 1.00 0.00 C ATOM 1757 NZ LYS A 108 32.370 29.787 34.107 1.00 0.00 N ATOM 1758 OXT LYS A 108 32.432 33.798 40.165 1.00 0.00 O ATOM 0 H LYS A 108 35.493 33.694 37.888 1.00 0.00 H new ATOM 0 HA LYS A 108 32.749 34.815 37.953 1.00 0.00 H new ATOM 0 HB2 LYS A 108 33.533 33.565 35.902 1.00 0.00 H new ATOM 0 HB3 LYS A 108 33.803 32.157 36.911 1.00 0.00 H new ATOM 0 HG2 LYS A 108 31.410 32.052 37.462 1.00 0.00 H new ATOM 0 HG3 LYS A 108 31.110 33.517 36.547 1.00 0.00 H new ATOM 0 HD2 LYS A 108 30.526 31.591 35.171 1.00 0.00 H new ATOM 0 HD3 LYS A 108 31.925 32.385 34.475 1.00 0.00 H new ATOM 0 HE2 LYS A 108 33.385 30.708 35.719 1.00 0.00 H new ATOM 0 HE3 LYS A 108 31.919 29.860 36.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 32.910 28.903 34.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 31.394 29.568 33.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 32.813 30.389 33.384 1.00 0.00 H new TER 1772 LYS A 108