USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 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 29 HIS : no HD1:sc= -0.0733 K(o=0.21,f=-0.35) USER MOD Set 1.2: A 77 SER OG : rot -93:sc= 0.283 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.22) USER MOD Single : A 9 SER OG : rot -150:sc= -1.16! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 22 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.71) USER MOD Single : A 24 ASN : amide:sc= -3.5! C(o=-3.5!,f=-6.7!) USER MOD Single : A 26 ASN : amide:sc= -0.754 K(o=-0.75,f=-1.4) USER MOD Single : A 28 HIS : no HE2:sc= -0.0557 K(o=-0.056,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= 0 (180deg=-1.15) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 76:sc= -1.16 USER MOD Single : A 42 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.9!) USER MOD Single : A 43 LYS NZ :NH3+ -131:sc= -3.17 (180deg=-5.65!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -18:sc= 0.0892 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0595 X(o=-0.059,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.42! K(o=-2.4!,f=-0.25) USER MOD Single : A 70 THR OG1 : rot 55:sc= -1.87! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -150:sc= -3.1! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.215) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -51:sc= 0.854 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.277 2.046 -20.519 1.00 0.00 N ATOM 2 CA GLY A 1 7.893 2.102 -19.971 1.00 0.00 C ATOM 3 C GLY A 1 7.871 2.222 -18.460 1.00 0.00 C ATOM 4 O GLY A 1 8.227 1.281 -17.751 1.00 0.00 O ATOM 0 H1 GLY A 1 9.237 1.964 -21.555 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.788 2.914 -20.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.773 1.221 -20.125 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.367 2.951 -20.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.351 1.204 -20.269 1.00 0.00 H new ATOM 8 N SER A 2 7.451 3.382 -17.967 1.00 0.00 N ATOM 9 CA SER A 2 7.384 3.623 -16.530 1.00 0.00 C ATOM 10 C SER A 2 5.971 3.392 -16.004 1.00 0.00 C ATOM 11 O SER A 2 5.067 3.039 -16.761 1.00 0.00 O ATOM 12 CB SER A 2 7.832 5.051 -16.210 1.00 0.00 C ATOM 13 OG SER A 2 9.165 5.275 -16.638 1.00 0.00 O ATOM 0 H SER A 2 7.152 4.170 -18.541 1.00 0.00 H new ATOM 0 HA SER A 2 8.055 2.919 -16.038 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.166 5.763 -16.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.757 5.227 -15.137 1.00 0.00 H new ATOM 0 HG SER A 2 9.427 6.195 -16.424 1.00 0.00 H new ATOM 19 N TYR A 3 5.788 3.594 -14.703 1.00 0.00 N ATOM 20 CA TYR A 3 4.486 3.408 -14.075 1.00 0.00 C ATOM 21 C TYR A 3 4.261 4.444 -12.977 1.00 0.00 C ATOM 22 O TYR A 3 5.114 4.636 -12.110 1.00 0.00 O ATOM 23 CB TYR A 3 4.376 1.998 -13.490 1.00 0.00 C ATOM 24 CG TYR A 3 3.019 1.691 -12.897 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.947 1.351 -13.712 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.811 1.742 -11.525 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.704 1.069 -13.175 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.572 1.461 -10.981 1.00 0.00 C ATOM 29 CZ TYR A 3 0.523 1.126 -11.810 1.00 0.00 C ATOM 30 OH TYR A 3 -0.712 0.845 -11.272 1.00 0.00 O ATOM 0 H TYR A 3 6.526 3.887 -14.063 1.00 0.00 H new ATOM 0 HA TYR A 3 3.719 3.539 -14.838 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.594 1.271 -14.273 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.136 1.874 -12.719 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.086 1.306 -14.782 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.630 2.005 -10.873 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.120 0.806 -13.822 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.426 1.504 -9.912 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.613 0.192 -10.548 1.00 0.00 H new ATOM 40 N TRP A 4 3.109 5.108 -13.018 1.00 0.00 N ATOM 41 CA TRP A 4 2.787 6.122 -12.020 1.00 0.00 C ATOM 42 C TRP A 4 1.285 6.413 -11.994 1.00 0.00 C ATOM 43 O TRP A 4 0.783 7.172 -12.824 1.00 0.00 O ATOM 44 CB TRP A 4 3.558 7.412 -12.307 1.00 0.00 C ATOM 45 CG TRP A 4 3.397 8.451 -11.241 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.379 9.354 -11.117 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.287 8.698 -10.147 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.581 10.144 -10.011 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.746 9.762 -9.399 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.489 8.122 -9.725 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.366 10.259 -8.256 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.103 8.617 -8.590 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.541 9.676 -7.867 1.00 0.00 C ATOM 0 H TRP A 4 2.389 4.964 -13.726 1.00 0.00 H new ATOM 0 HA TRP A 4 3.080 5.736 -11.044 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.617 7.177 -12.418 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.222 7.823 -13.259 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.538 9.435 -11.790 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.964 10.893 -9.697 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.930 7.305 -10.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.935 11.076 -7.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.032 8.180 -8.255 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.045 10.040 -6.984 1.00 0.00 H new ATOM 64 N PRO A 5 0.544 5.807 -11.046 1.00 0.00 N ATOM 65 CA PRO A 5 -0.901 6.021 -10.920 1.00 0.00 C ATOM 66 C PRO A 5 -1.229 7.448 -10.493 1.00 0.00 C ATOM 67 O PRO A 5 -0.346 8.303 -10.430 1.00 0.00 O ATOM 68 CB PRO A 5 -1.331 5.030 -9.827 1.00 0.00 C ATOM 69 CG PRO A 5 -0.184 4.090 -9.665 1.00 0.00 C ATOM 70 CD PRO A 5 1.046 4.866 -10.034 1.00 0.00 C ATOM 0 HA PRO A 5 -1.415 5.869 -11.869 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.549 5.547 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.237 4.497 -10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.121 3.725 -8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.302 3.217 -10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.470 5.385 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.827 4.220 -10.434 1.00 0.00 H new ATOM 78 N ALA A 6 -2.500 7.700 -10.201 1.00 0.00 N ATOM 79 CA ALA A 6 -2.927 9.027 -9.775 1.00 0.00 C ATOM 80 C ALA A 6 -2.419 9.333 -8.368 1.00 0.00 C ATOM 81 O ALA A 6 -1.412 8.779 -7.930 1.00 0.00 O ATOM 82 CB ALA A 6 -4.442 9.139 -9.832 1.00 0.00 C ATOM 0 H ALA A 6 -3.248 7.008 -10.251 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.499 9.761 -10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.746 10.135 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.781 8.968 -10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.887 8.394 -9.172 1.00 0.00 H new ATOM 88 N ARG A 7 -3.116 10.220 -7.666 1.00 0.00 N ATOM 89 CA ARG A 7 -2.722 10.593 -6.312 1.00 0.00 C ATOM 90 C ARG A 7 -3.533 9.830 -5.267 1.00 0.00 C ATOM 91 O ARG A 7 -3.258 9.923 -4.072 1.00 0.00 O ATOM 92 CB ARG A 7 -2.896 12.099 -6.108 1.00 0.00 C ATOM 93 CG ARG A 7 -2.058 12.942 -7.057 1.00 0.00 C ATOM 94 CD ARG A 7 -2.281 14.427 -6.826 1.00 0.00 C ATOM 95 NE ARG A 7 -1.475 15.248 -7.728 1.00 0.00 N ATOM 96 CZ ARG A 7 -1.562 16.573 -7.794 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.416 17.225 -7.017 1.00 0.00 N ATOM 98 NH2 ARG A 7 -0.792 17.247 -8.638 1.00 0.00 N ATOM 0 H ARG A 7 -3.952 10.692 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.672 10.330 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.947 12.356 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.631 12.351 -5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.003 12.706 -6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.310 12.691 -8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.336 14.662 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.035 14.674 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.809 14.778 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.009 16.710 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.480 18.242 -7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.133 16.749 -9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.859 18.264 -8.689 1.00 0.00 H new ATOM 112 N HIS A 8 -4.532 9.078 -5.723 1.00 0.00 N ATOM 113 CA HIS A 8 -5.380 8.305 -4.816 1.00 0.00 C ATOM 114 C HIS A 8 -5.829 6.995 -5.460 1.00 0.00 C ATOM 115 O HIS A 8 -6.675 6.288 -4.912 1.00 0.00 O ATOM 116 CB HIS A 8 -6.606 9.123 -4.405 1.00 0.00 C ATOM 117 CG HIS A 8 -6.273 10.371 -3.647 1.00 0.00 C ATOM 118 ND1 HIS A 8 -6.165 10.410 -2.273 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.027 11.631 -4.077 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.866 11.640 -1.891 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.776 12.399 -2.967 1.00 0.00 N ATOM 0 H HIS A 8 -4.774 8.987 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.790 8.070 -3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.169 9.391 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.258 8.500 -3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.028 11.969 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.720 11.968 -0.872 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.556 13.395 -2.973 1.00 0.00 H new ATOM 130 N SER A 9 -5.261 6.675 -6.621 1.00 0.00 N ATOM 131 CA SER A 9 -5.611 5.445 -7.328 1.00 0.00 C ATOM 132 C SER A 9 -5.447 4.232 -6.419 1.00 0.00 C ATOM 133 O SER A 9 -4.657 4.256 -5.476 1.00 0.00 O ATOM 134 CB SER A 9 -4.744 5.277 -8.576 1.00 0.00 C ATOM 135 OG SER A 9 -5.034 6.274 -9.539 1.00 0.00 O ATOM 0 H SER A 9 -4.559 7.248 -7.090 1.00 0.00 H new ATOM 0 HA SER A 9 -6.656 5.518 -7.629 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.691 5.330 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.911 4.290 -9.008 1.00 0.00 H new ATOM 0 HG SER A 9 -4.871 5.918 -10.437 1.00 0.00 H new ATOM 141 N GLY A 10 -6.198 3.174 -6.709 1.00 0.00 N ATOM 142 CA GLY A 10 -6.120 1.968 -5.905 1.00 0.00 C ATOM 143 C GLY A 10 -4.707 1.433 -5.791 1.00 0.00 C ATOM 144 O GLY A 10 -4.195 1.244 -4.688 1.00 0.00 O ATOM 0 H GLY A 10 -6.858 3.130 -7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.507 2.175 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.760 1.202 -6.343 1.00 0.00 H new ATOM 148 N ALA A 11 -4.075 1.188 -6.934 1.00 0.00 N ATOM 149 CA ALA A 11 -2.712 0.668 -6.952 1.00 0.00 C ATOM 150 C ALA A 11 -1.748 1.603 -6.220 1.00 0.00 C ATOM 151 O ALA A 11 -0.748 1.161 -5.650 1.00 0.00 O ATOM 152 CB ALA A 11 -2.261 0.441 -8.387 1.00 0.00 C ATOM 0 H ALA A 11 -4.482 1.340 -7.857 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.703 -0.286 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.242 0.053 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.925 -0.277 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.292 1.385 -8.932 1.00 0.00 H new ATOM 158 N ARG A 12 -2.061 2.895 -6.237 1.00 0.00 N ATOM 159 CA ARG A 12 -1.233 3.896 -5.580 1.00 0.00 C ATOM 160 C ARG A 12 -1.348 3.780 -4.070 1.00 0.00 C ATOM 161 O ARG A 12 -0.350 3.683 -3.353 1.00 0.00 O ATOM 162 CB ARG A 12 -1.696 5.288 -6.009 1.00 0.00 C ATOM 163 CG ARG A 12 -0.603 6.337 -5.988 1.00 0.00 C ATOM 164 CD ARG A 12 -0.410 6.922 -4.598 1.00 0.00 C ATOM 165 NE ARG A 12 0.598 7.980 -4.588 1.00 0.00 N ATOM 166 CZ ARG A 12 0.529 9.058 -3.813 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.498 9.224 -2.991 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.487 9.973 -3.862 1.00 0.00 N ATOM 0 H ARG A 12 -2.887 3.273 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.194 3.735 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.108 5.228 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.505 5.608 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.333 5.894 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.852 7.135 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.358 7.320 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.113 6.131 -3.909 1.00 0.00 H new ATOM 0 HE ARG A 12 1.400 7.886 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.238 8.523 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.548 10.052 -2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.278 9.850 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.433 10.800 -3.267 1.00 0.00 H new ATOM 182 N VAL A 13 -2.586 3.782 -3.606 1.00 0.00 N ATOM 183 CA VAL A 13 -2.876 3.707 -2.189 1.00 0.00 C ATOM 184 C VAL A 13 -2.364 2.416 -1.556 1.00 0.00 C ATOM 185 O VAL A 13 -1.962 2.408 -0.394 1.00 0.00 O ATOM 186 CB VAL A 13 -4.393 3.827 -1.938 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.709 3.702 -0.458 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.923 5.140 -2.492 1.00 0.00 C ATOM 0 H VAL A 13 -3.413 3.835 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.354 4.542 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.890 3.008 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.785 3.790 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.370 2.732 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.200 4.494 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.995 5.207 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.417 5.972 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.738 5.183 -3.565 1.00 0.00 H new ATOM 198 N ILE A 14 -2.368 1.327 -2.320 1.00 0.00 N ATOM 199 CA ILE A 14 -1.923 0.047 -1.782 1.00 0.00 C ATOM 200 C ILE A 14 -0.402 -0.027 -1.606 1.00 0.00 C ATOM 201 O ILE A 14 0.081 -0.349 -0.525 1.00 0.00 O ATOM 202 CB ILE A 14 -2.413 -1.133 -2.647 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.869 -1.037 -4.075 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.932 -1.173 -2.660 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.306 -2.176 -4.972 1.00 0.00 C ATOM 0 H ILE A 14 -2.668 1.304 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.372 -0.032 -0.792 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.036 -2.057 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.194 -0.094 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.780 -1.013 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.269 -2.009 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.301 -1.297 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.317 -0.241 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.882 -2.039 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.958 -3.121 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.394 -2.189 -5.040 1.00 0.00 H new ATOM 217 N LEU A 15 0.357 0.257 -2.659 1.00 0.00 N ATOM 218 CA LEU A 15 1.810 0.182 -2.520 1.00 0.00 C ATOM 219 C LEU A 15 2.320 1.140 -1.441 1.00 0.00 C ATOM 220 O LEU A 15 3.263 0.825 -0.712 1.00 0.00 O ATOM 221 CB LEU A 15 2.493 0.472 -3.857 1.00 0.00 C ATOM 222 CG LEU A 15 2.023 -0.404 -5.019 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.236 0.306 -6.344 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.754 -1.737 -5.006 1.00 0.00 C ATOM 0 H LEU A 15 0.013 0.530 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 15 2.061 -0.833 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.324 1.517 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.569 0.344 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 15 0.956 -0.592 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.895 -0.334 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.670 1.237 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.296 0.525 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.409 -2.349 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.826 -1.565 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.552 -2.254 -4.068 1.00 0.00 H new ATOM 236 N LEU A 16 1.679 2.297 -1.321 1.00 0.00 N ATOM 237 CA LEU A 16 2.094 3.277 -0.338 1.00 0.00 C ATOM 238 C LEU A 16 1.757 2.806 1.072 1.00 0.00 C ATOM 239 O LEU A 16 2.571 2.888 1.999 1.00 0.00 O ATOM 240 CB LEU A 16 1.378 4.586 -0.625 1.00 0.00 C ATOM 241 CG LEU A 16 1.655 5.690 0.377 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.113 6.113 0.311 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.734 6.866 0.121 1.00 0.00 C ATOM 0 H LEU A 16 0.878 2.573 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 16 3.174 3.414 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.667 4.933 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.304 4.399 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 16 1.460 5.315 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.295 6.906 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.750 5.259 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.341 6.478 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.940 7.654 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.901 7.247 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.303 6.544 0.220 1.00 0.00 H new ATOM 255 N VAL A 17 0.540 2.318 1.223 1.00 0.00 N ATOM 256 CA VAL A 17 0.075 1.834 2.505 1.00 0.00 C ATOM 257 C VAL A 17 0.930 0.660 2.983 1.00 0.00 C ATOM 258 O VAL A 17 1.249 0.562 4.168 1.00 0.00 O ATOM 259 CB VAL A 17 -1.411 1.447 2.424 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.609 0.084 1.797 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.067 1.515 3.789 1.00 0.00 C ATOM 0 H VAL A 17 -0.145 2.247 0.470 1.00 0.00 H new ATOM 0 HA VAL A 17 0.175 2.635 3.237 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.897 2.175 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.673 -0.148 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.203 0.086 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.094 -0.669 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.117 1.236 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.564 0.827 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.992 2.530 4.179 1.00 0.00 H new ATOM 271 N LEU A 18 1.300 -0.231 2.059 1.00 0.00 N ATOM 272 CA LEU A 18 2.154 -1.356 2.429 1.00 0.00 C ATOM 273 C LEU A 18 3.529 -0.833 2.811 1.00 0.00 C ATOM 274 O LEU A 18 4.237 -1.441 3.609 1.00 0.00 O ATOM 275 CB LEU A 18 2.306 -2.368 1.282 1.00 0.00 C ATOM 276 CG LEU A 18 1.017 -2.986 0.734 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.325 -4.277 -0.008 1.00 0.00 C ATOM 278 CD2 LEU A 18 0.009 -3.236 1.846 1.00 0.00 C ATOM 0 H LEU A 18 1.029 -0.197 1.076 1.00 0.00 H new ATOM 0 HA LEU A 18 1.684 -1.868 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.823 -1.874 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.952 -3.176 1.625 1.00 0.00 H new ATOM 0 HG LEU A 18 0.573 -2.277 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.399 -4.706 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.000 -4.068 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.797 -4.985 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.896 -3.675 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.438 -3.920 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.238 -2.292 2.332 1.00 0.00 H new ATOM 290 N TYR A 19 3.891 0.311 2.233 1.00 0.00 N ATOM 291 CA TYR A 19 5.195 0.917 2.491 1.00 0.00 C ATOM 292 C TYR A 19 5.460 1.061 3.981 1.00 0.00 C ATOM 293 O TYR A 19 6.419 0.494 4.500 1.00 0.00 O ATOM 294 CB TYR A 19 5.280 2.285 1.808 1.00 0.00 C ATOM 295 CG TYR A 19 6.625 2.968 1.922 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.710 2.549 1.162 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.803 4.047 2.779 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.934 3.184 1.255 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.025 4.686 2.879 1.00 0.00 C ATOM 300 CZ TYR A 19 9.086 4.251 2.115 1.00 0.00 C ATOM 301 OH TYR A 19 10.303 4.887 2.211 1.00 0.00 O ATOM 0 H TYR A 19 3.302 0.835 1.586 1.00 0.00 H new ATOM 0 HA TYR A 19 5.958 0.257 2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.038 2.164 0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.519 2.937 2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.595 1.713 0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.973 4.392 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.767 2.846 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.147 5.522 3.552 1.00 0.00 H new ATOM 0 HH TYR A 19 10.240 5.618 2.861 1.00 0.00 H new ATOM 311 N ARG A 20 4.599 1.791 4.675 1.00 0.00 N ATOM 312 CA ARG A 20 4.798 1.992 6.109 1.00 0.00 C ATOM 313 C ARG A 20 4.797 0.674 6.892 1.00 0.00 C ATOM 314 O ARG A 20 5.764 0.358 7.585 1.00 0.00 O ATOM 315 CB ARG A 20 3.718 2.921 6.659 1.00 0.00 C ATOM 316 CG ARG A 20 3.824 3.154 8.156 1.00 0.00 C ATOM 317 CD ARG A 20 2.767 4.128 8.638 1.00 0.00 C ATOM 318 NE ARG A 20 2.828 4.333 10.083 1.00 0.00 N ATOM 319 CZ ARG A 20 1.838 4.859 10.796 1.00 0.00 C ATOM 320 NH1 ARG A 20 0.715 5.236 10.202 1.00 0.00 N ATOM 321 NH2 ARG A 20 1.971 5.008 12.107 1.00 0.00 N ATOM 0 H ARG A 20 3.774 2.246 4.284 1.00 0.00 H new ATOM 0 HA ARG A 20 5.781 2.445 6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.779 3.880 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.738 2.500 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.715 2.206 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.814 3.540 8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.897 5.084 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.780 3.755 8.366 1.00 0.00 H new ATOM 0 HE ARG A 20 3.679 4.057 10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.608 5.123 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.043 5.639 10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.834 4.719 12.568 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.211 5.412 12.654 1.00 0.00 H new ATOM 335 N GLU A 21 3.714 -0.085 6.771 1.00 0.00 N ATOM 336 CA GLU A 21 3.618 -1.347 7.508 1.00 0.00 C ATOM 337 C GLU A 21 4.746 -2.319 7.155 1.00 0.00 C ATOM 338 O GLU A 21 5.142 -3.141 7.981 1.00 0.00 O ATOM 339 CB GLU A 21 2.265 -2.008 7.261 1.00 0.00 C ATOM 340 CG GLU A 21 1.999 -3.183 8.185 1.00 0.00 C ATOM 341 CD GLU A 21 2.146 -2.818 9.649 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.154 -2.352 10.248 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.254 -2.999 10.197 1.00 0.00 O ATOM 0 H GLU A 21 2.908 0.139 6.187 1.00 0.00 H new ATOM 0 HA GLU A 21 3.717 -1.103 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.476 -1.267 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.217 -2.349 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.992 -3.559 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.688 -3.992 7.945 1.00 0.00 H new ATOM 350 N HIS A 22 5.257 -2.228 5.937 1.00 0.00 N ATOM 351 CA HIS A 22 6.334 -3.126 5.524 1.00 0.00 C ATOM 352 C HIS A 22 7.643 -2.775 6.220 1.00 0.00 C ATOM 353 O HIS A 22 8.339 -3.650 6.737 1.00 0.00 O ATOM 354 CB HIS A 22 6.514 -3.069 4.010 1.00 0.00 C ATOM 355 CG HIS A 22 7.779 -3.700 3.512 1.00 0.00 C ATOM 356 ND1 HIS A 22 7.827 -4.966 2.966 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.047 -3.223 3.460 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.068 -5.239 2.601 1.00 0.00 C ATOM 359 NE2 HIS A 22 9.826 -4.198 2.890 1.00 0.00 N ATOM 0 H HIS A 22 4.955 -1.559 5.229 1.00 0.00 H new ATOM 0 HA HIS A 22 6.058 -4.140 5.815 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.665 -3.563 3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.493 -2.026 3.693 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.382 -2.255 3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.404 -6.158 2.144 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.829 -4.129 2.717 1.00 0.00 H new ATOM 368 N LEU A 23 7.971 -1.492 6.226 1.00 0.00 N ATOM 369 CA LEU A 23 9.204 -1.021 6.839 1.00 0.00 C ATOM 370 C LEU A 23 9.118 -1.044 8.360 1.00 0.00 C ATOM 371 O LEU A 23 10.052 -0.628 9.043 1.00 0.00 O ATOM 372 CB LEU A 23 9.510 0.391 6.347 1.00 0.00 C ATOM 373 CG LEU A 23 9.576 0.524 4.827 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.904 1.808 4.374 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.020 0.479 4.350 1.00 0.00 C ATOM 0 H LEU A 23 7.399 -0.756 5.812 1.00 0.00 H new ATOM 0 HA LEU A 23 10.011 -1.694 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.746 1.070 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.461 0.713 6.770 1.00 0.00 H new ATOM 0 HG LEU A 23 9.042 -0.317 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.961 1.885 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.859 1.800 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.409 2.662 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.048 0.575 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.578 1.299 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.470 -0.470 4.642 1.00 0.00 H new ATOM 387 N ASN A 24 7.997 -1.532 8.887 1.00 0.00 N ATOM 388 CA ASN A 24 7.805 -1.609 10.331 1.00 0.00 C ATOM 389 C ASN A 24 8.776 -2.598 10.976 1.00 0.00 C ATOM 390 O ASN A 24 8.644 -3.809 10.801 1.00 0.00 O ATOM 391 CB ASN A 24 6.367 -2.007 10.658 1.00 0.00 C ATOM 392 CG ASN A 24 5.479 -0.797 10.852 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.897 -0.278 9.906 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.379 -0.334 12.088 1.00 0.00 N ATOM 0 H ASN A 24 7.211 -1.879 8.337 1.00 0.00 H new ATOM 0 HA ASN A 24 8.007 -0.619 10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.969 -2.625 9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.355 -2.615 11.562 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.801 0.484 12.281 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.880 -0.795 12.847 1.00 0.00 H new ATOM 401 N PRO A 25 9.769 -2.090 11.731 1.00 0.00 N ATOM 402 CA PRO A 25 10.755 -2.933 12.417 1.00 0.00 C ATOM 403 C PRO A 25 10.115 -3.787 13.500 1.00 0.00 C ATOM 404 O PRO A 25 10.372 -4.987 13.600 1.00 0.00 O ATOM 405 CB PRO A 25 11.724 -1.932 13.057 1.00 0.00 C ATOM 406 CG PRO A 25 11.456 -0.628 12.385 1.00 0.00 C ATOM 407 CD PRO A 25 10.014 -0.661 11.971 1.00 0.00 C ATOM 0 HA PRO A 25 11.235 -3.627 11.727 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.559 -1.860 14.132 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.759 -2.242 12.913 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.648 0.205 13.061 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.107 -0.494 11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.362 -0.265 12.750 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.838 -0.066 11.075 1.00 0.00 H new ATOM 415 N ASN A 26 9.278 -3.151 14.311 1.00 0.00 N ATOM 416 CA ASN A 26 8.601 -3.853 15.391 1.00 0.00 C ATOM 417 C ASN A 26 7.176 -4.210 14.976 1.00 0.00 C ATOM 418 O ASN A 26 6.288 -4.360 15.815 1.00 0.00 O ATOM 419 CB ASN A 26 8.587 -2.986 16.655 1.00 0.00 C ATOM 420 CG ASN A 26 8.117 -3.747 17.880 1.00 0.00 C ATOM 421 OD1 ASN A 26 6.932 -3.745 18.211 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.048 -4.403 18.562 1.00 0.00 N ATOM 0 H ASN A 26 9.054 -2.158 14.241 1.00 0.00 H new ATOM 0 HA ASN A 26 9.142 -4.775 15.605 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.589 -2.598 16.836 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.936 -2.126 16.494 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.792 -4.932 19.396 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.020 -4.378 18.252 1.00 0.00 H new ATOM 429 N GLY A 27 6.975 -4.360 13.671 1.00 0.00 N ATOM 430 CA GLY A 27 5.653 -4.693 13.177 1.00 0.00 C ATOM 431 C GLY A 27 5.702 -5.672 12.021 1.00 0.00 C ATOM 432 O GLY A 27 6.778 -5.990 11.514 1.00 0.00 O ATOM 0 H GLY A 27 7.694 -4.258 12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.061 -5.120 13.987 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.146 -3.782 12.858 1.00 0.00 H new ATOM 436 N HIS A 28 4.535 -6.150 11.606 1.00 0.00 N ATOM 437 CA HIS A 28 4.460 -7.093 10.497 1.00 0.00 C ATOM 438 C HIS A 28 4.717 -6.388 9.171 1.00 0.00 C ATOM 439 O HIS A 28 4.089 -5.376 8.863 1.00 0.00 O ATOM 440 CB HIS A 28 3.094 -7.786 10.476 1.00 0.00 C ATOM 441 CG HIS A 28 1.963 -6.903 10.904 1.00 0.00 C ATOM 442 ND1 HIS A 28 1.316 -6.035 10.051 1.00 0.00 N ATOM 443 CD2 HIS A 28 1.361 -6.759 12.109 1.00 0.00 C ATOM 444 CE1 HIS A 28 0.367 -5.395 10.713 1.00 0.00 C ATOM 445 NE2 HIS A 28 0.374 -5.817 11.963 1.00 0.00 N ATOM 0 H HIS A 28 3.635 -5.903 12.017 1.00 0.00 H new ATOM 0 HA HIS A 28 5.232 -7.849 10.639 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.897 -8.150 9.468 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.129 -8.658 11.129 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.535 -5.906 9.063 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.612 -7.288 13.017 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.300 -4.653 10.301 1.00 0.00 H new ATOM 454 N HIS A 29 5.650 -6.929 8.389 1.00 0.00 N ATOM 455 CA HIS A 29 5.999 -6.352 7.094 1.00 0.00 C ATOM 456 C HIS A 29 4.964 -6.715 6.032 1.00 0.00 C ATOM 457 O HIS A 29 5.295 -6.882 4.858 1.00 0.00 O ATOM 458 CB HIS A 29 7.386 -6.834 6.661 1.00 0.00 C ATOM 459 CG HIS A 29 7.506 -8.325 6.581 1.00 0.00 C ATOM 460 ND1 HIS A 29 7.988 -9.098 7.616 1.00 0.00 N ATOM 461 CD2 HIS A 29 7.207 -9.186 5.579 1.00 0.00 C ATOM 462 CE1 HIS A 29 7.981 -10.369 7.254 1.00 0.00 C ATOM 463 NE2 HIS A 29 7.512 -10.449 6.024 1.00 0.00 N ATOM 0 H HIS A 29 6.178 -7.767 8.631 1.00 0.00 H new ATOM 0 HA HIS A 29 6.012 -5.267 7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.622 -6.406 5.687 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.128 -6.455 7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.804 -8.928 4.611 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.304 -11.201 7.862 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.395 -11.310 5.490 1.00 0.00 H new ATOM 472 N PHE A 30 3.708 -6.816 6.452 1.00 0.00 N ATOM 473 CA PHE A 30 2.620 -7.165 5.540 1.00 0.00 C ATOM 474 C PHE A 30 1.270 -6.738 6.101 1.00 0.00 C ATOM 475 O PHE A 30 1.183 -6.222 7.213 1.00 0.00 O ATOM 476 CB PHE A 30 2.593 -8.676 5.276 1.00 0.00 C ATOM 477 CG PHE A 30 2.400 -9.500 6.519 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.125 -9.796 6.976 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.490 -9.976 7.229 1.00 0.00 C ATOM 480 CE1 PHE A 30 0.941 -10.552 8.116 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.311 -10.734 8.372 1.00 0.00 C ATOM 482 CZ PHE A 30 2.035 -11.022 8.815 1.00 0.00 C ATOM 0 H PHE A 30 3.416 -6.662 7.417 1.00 0.00 H new ATOM 0 HA PHE A 30 2.802 -6.634 4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.790 -8.900 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.527 -8.970 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.266 -9.431 6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.490 -9.753 6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.058 -10.776 8.461 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.168 -11.100 8.917 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.893 -11.614 9.707 1.00 0.00 H new ATOM 492 N LEU A 31 0.222 -6.977 5.319 1.00 0.00 N ATOM 493 CA LEU A 31 -1.133 -6.634 5.723 1.00 0.00 C ATOM 494 C LEU A 31 -2.149 -7.454 4.938 1.00 0.00 C ATOM 495 O LEU A 31 -1.911 -7.815 3.786 1.00 0.00 O ATOM 496 CB LEU A 31 -1.395 -5.150 5.489 1.00 0.00 C ATOM 497 CG LEU A 31 -0.818 -4.202 6.537 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.073 -2.757 6.143 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.411 -4.494 7.908 1.00 0.00 C ATOM 0 H LEU A 31 0.288 -7.409 4.398 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.237 -6.857 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.988 -4.877 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.473 -4.994 5.439 1.00 0.00 H new ATOM 0 HG LEU A 31 0.259 -4.361 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.655 -2.094 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.600 -2.553 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.146 -2.586 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.987 -3.808 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.493 -4.364 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.178 -5.520 8.194 1.00 0.00 H new ATOM 511 N THR A 32 -3.283 -7.746 5.566 1.00 0.00 N ATOM 512 CA THR A 32 -4.328 -8.510 4.900 1.00 0.00 C ATOM 513 C THR A 32 -5.247 -7.579 4.121 1.00 0.00 C ATOM 514 O THR A 32 -5.248 -6.369 4.345 1.00 0.00 O ATOM 515 CB THR A 32 -5.168 -9.324 5.903 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.856 -8.442 6.796 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.291 -10.276 6.700 1.00 0.00 C ATOM 0 H THR A 32 -3.499 -7.469 6.523 1.00 0.00 H new ATOM 0 HA THR A 32 -3.836 -9.204 4.219 1.00 0.00 H new ATOM 0 HB THR A 32 -5.894 -9.911 5.340 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.389 -8.967 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.908 -10.839 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.792 -10.967 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.543 -9.706 7.252 1.00 0.00 H new ATOM 525 N LYS A 33 -6.030 -8.146 3.210 1.00 0.00 N ATOM 526 CA LYS A 33 -6.949 -7.346 2.404 1.00 0.00 C ATOM 527 C LYS A 33 -7.840 -6.494 3.300 1.00 0.00 C ATOM 528 O LYS A 33 -8.110 -5.330 3.006 1.00 0.00 O ATOM 529 CB LYS A 33 -7.812 -8.260 1.528 1.00 0.00 C ATOM 530 CG LYS A 33 -8.422 -7.569 0.313 1.00 0.00 C ATOM 531 CD LYS A 33 -9.613 -6.700 0.692 1.00 0.00 C ATOM 532 CE LYS A 33 -10.274 -6.088 -0.535 1.00 0.00 C ATOM 533 NZ LYS A 33 -11.486 -5.300 -0.176 1.00 0.00 N ATOM 0 H LYS A 33 -6.049 -9.146 3.011 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.364 -6.686 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.204 -9.098 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.615 -8.675 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.664 -6.954 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.737 -8.320 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.342 -7.299 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.286 -5.906 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.561 -5.444 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.548 -6.879 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.272 -5.568 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.747 -5.495 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.286 -4.285 -0.287 1.00 0.00 H new ATOM 547 N GLU A 34 -8.279 -7.086 4.403 1.00 0.00 N ATOM 548 CA GLU A 34 -9.144 -6.401 5.354 1.00 0.00 C ATOM 549 C GLU A 34 -8.389 -5.315 6.119 1.00 0.00 C ATOM 550 O GLU A 34 -8.962 -4.286 6.478 1.00 0.00 O ATOM 551 CB GLU A 34 -9.728 -7.412 6.341 1.00 0.00 C ATOM 552 CG GLU A 34 -10.443 -8.574 5.673 1.00 0.00 C ATOM 553 CD GLU A 34 -11.677 -8.140 4.908 1.00 0.00 C ATOM 554 OE1 GLU A 34 -11.549 -7.813 3.709 1.00 0.00 O ATOM 555 OE2 GLU A 34 -12.772 -8.125 5.507 1.00 0.00 O ATOM 0 H GLU A 34 -8.048 -8.045 4.662 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.947 -5.923 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.925 -7.802 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.426 -6.899 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.755 -9.075 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.728 -9.304 6.431 1.00 0.00 H new ATOM 562 N GLU A 35 -7.104 -5.549 6.366 1.00 0.00 N ATOM 563 CA GLU A 35 -6.293 -4.583 7.104 1.00 0.00 C ATOM 564 C GLU A 35 -5.992 -3.351 6.263 1.00 0.00 C ATOM 565 O GLU A 35 -5.790 -2.261 6.797 1.00 0.00 O ATOM 566 CB GLU A 35 -4.988 -5.227 7.577 1.00 0.00 C ATOM 567 CG GLU A 35 -5.175 -6.211 8.720 1.00 0.00 C ATOM 568 CD GLU A 35 -3.869 -6.836 9.171 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.495 -7.893 8.622 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.220 -6.267 10.073 1.00 0.00 O ATOM 0 H GLU A 35 -6.605 -6.388 6.071 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.869 -4.267 7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.522 -5.742 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.299 -4.443 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.639 -5.699 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.862 -6.998 8.408 1.00 0.00 H new ATOM 577 N LEU A 36 -5.966 -3.527 4.948 1.00 0.00 N ATOM 578 CA LEU A 36 -5.678 -2.414 4.056 1.00 0.00 C ATOM 579 C LEU A 36 -6.815 -1.400 4.058 1.00 0.00 C ATOM 580 O LEU A 36 -6.590 -0.208 3.871 1.00 0.00 O ATOM 581 CB LEU A 36 -5.419 -2.923 2.640 1.00 0.00 C ATOM 582 CG LEU A 36 -4.337 -3.999 2.530 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.012 -4.309 1.078 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.081 -3.572 3.271 1.00 0.00 C ATOM 0 H LEU A 36 -6.138 -4.417 4.481 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.781 -1.913 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.350 -3.322 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.136 -2.078 2.012 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.725 -4.907 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.240 -5.077 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.909 -4.667 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.654 -3.406 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.323 -4.350 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.702 -2.645 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.316 -3.414 4.324 1.00 0.00 H new ATOM 596 N LEU A 37 -8.037 -1.877 4.264 1.00 0.00 N ATOM 597 CA LEU A 37 -9.200 -0.998 4.290 1.00 0.00 C ATOM 598 C LEU A 37 -9.011 0.118 5.316 1.00 0.00 C ATOM 599 O LEU A 37 -9.162 1.298 4.999 1.00 0.00 O ATOM 600 CB LEU A 37 -10.465 -1.797 4.611 1.00 0.00 C ATOM 601 CG LEU A 37 -10.811 -2.898 3.605 1.00 0.00 C ATOM 602 CD1 LEU A 37 -12.029 -3.681 4.072 1.00 0.00 C ATOM 603 CD2 LEU A 37 -11.058 -2.304 2.226 1.00 0.00 C ATOM 0 H LEU A 37 -8.248 -2.863 4.415 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.308 -0.547 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.350 -2.250 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.306 -1.106 4.674 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.964 -3.581 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.261 -4.460 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.819 -4.138 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.880 -3.007 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.302 -3.102 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.888 -1.599 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.161 -1.785 1.887 1.00 0.00 H new ATOM 615 N GLN A 38 -8.681 -0.263 6.547 1.00 0.00 N ATOM 616 CA GLN A 38 -8.466 0.707 7.617 1.00 0.00 C ATOM 617 C GLN A 38 -7.141 1.438 7.432 1.00 0.00 C ATOM 618 O GLN A 38 -7.049 2.647 7.645 1.00 0.00 O ATOM 619 CB GLN A 38 -8.491 0.009 8.978 1.00 0.00 C ATOM 620 CG GLN A 38 -9.797 -0.712 9.268 1.00 0.00 C ATOM 621 CD GLN A 38 -9.792 -1.408 10.615 1.00 0.00 C ATOM 622 OE1 GLN A 38 -10.171 -0.824 11.631 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.361 -2.664 10.630 1.00 0.00 N ATOM 0 H GLN A 38 -8.557 -1.236 6.828 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.272 1.440 7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.672 -0.708 9.024 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.312 0.748 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.618 0.004 9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.984 -1.446 8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.056 -3.109 9.764 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.335 -3.184 11.507 1.00 0.00 H new ATOM 632 N ARG A 39 -6.114 0.691 7.042 1.00 0.00 N ATOM 633 CA ARG A 39 -4.790 1.253 6.826 1.00 0.00 C ATOM 634 C ARG A 39 -4.834 2.409 5.830 1.00 0.00 C ATOM 635 O ARG A 39 -4.348 3.507 6.106 1.00 0.00 O ATOM 636 CB ARG A 39 -3.861 0.161 6.311 1.00 0.00 C ATOM 637 CG ARG A 39 -2.426 0.343 6.746 1.00 0.00 C ATOM 638 CD ARG A 39 -2.219 -0.101 8.185 1.00 0.00 C ATOM 639 NE ARG A 39 -2.915 0.760 9.137 1.00 0.00 N ATOM 640 CZ ARG A 39 -3.060 0.468 10.426 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.559 -0.658 10.916 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.707 1.305 11.228 1.00 0.00 N ATOM 0 H ARG A 39 -6.176 -0.312 6.869 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.419 1.643 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.220 -0.807 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.904 0.141 5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.770 -0.229 6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.144 1.391 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.571 -1.126 8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.153 -0.103 8.412 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.312 1.635 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.060 -1.303 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.672 -0.879 11.905 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.093 2.172 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.818 1.081 12.217 1.00 0.00 H new ATOM 656 N CYS A 40 -5.421 2.141 4.674 1.00 0.00 N ATOM 657 CA CYS A 40 -5.560 3.139 3.616 1.00 0.00 C ATOM 658 C CYS A 40 -6.243 4.397 4.143 1.00 0.00 C ATOM 659 O CYS A 40 -5.984 5.501 3.663 1.00 0.00 O ATOM 660 CB CYS A 40 -6.357 2.563 2.444 1.00 0.00 C ATOM 661 SG CYS A 40 -5.539 1.190 1.599 1.00 0.00 S ATOM 0 H CYS A 40 -5.815 1.230 4.440 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.562 3.407 3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.327 2.225 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.548 3.358 1.723 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.648 0.112 2.317 1.00 0.00 H new ATOM 667 N ALA A 41 -7.125 4.222 5.125 1.00 0.00 N ATOM 668 CA ALA A 41 -7.839 5.351 5.717 1.00 0.00 C ATOM 669 C ALA A 41 -6.877 6.339 6.377 1.00 0.00 C ATOM 670 O ALA A 41 -7.304 7.350 6.935 1.00 0.00 O ATOM 671 CB ALA A 41 -8.867 4.863 6.726 1.00 0.00 C ATOM 0 H ALA A 41 -7.361 3.314 5.526 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.355 5.873 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.389 5.718 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.586 4.213 6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.364 4.308 7.518 1.00 0.00 H new ATOM 677 N GLN A 42 -5.580 6.044 6.312 1.00 0.00 N ATOM 678 CA GLN A 42 -4.607 6.946 6.911 1.00 0.00 C ATOM 679 C GLN A 42 -4.003 7.824 5.822 1.00 0.00 C ATOM 680 O GLN A 42 -3.490 8.911 6.087 1.00 0.00 O ATOM 681 CB GLN A 42 -3.506 6.160 7.627 1.00 0.00 C ATOM 682 CG GLN A 42 -4.020 5.291 8.763 1.00 0.00 C ATOM 683 CD GLN A 42 -2.902 4.589 9.507 1.00 0.00 C ATOM 684 OE1 GLN A 42 -2.505 3.478 9.154 1.00 0.00 O ATOM 685 NE2 GLN A 42 -2.386 5.235 10.548 1.00 0.00 N ATOM 0 H GLN A 42 -5.190 5.214 5.865 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.109 7.571 7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.991 5.529 6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.769 6.860 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.585 5.908 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.710 4.547 8.364 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.744 6.154 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.632 4.811 11.088 1.00 0.00 H new ATOM 694 N LYS A 43 -4.074 7.321 4.590 1.00 0.00 N ATOM 695 CA LYS A 43 -3.563 8.025 3.421 1.00 0.00 C ATOM 696 C LYS A 43 -4.056 9.465 3.403 1.00 0.00 C ATOM 697 O LYS A 43 -3.280 10.402 3.209 1.00 0.00 O ATOM 698 CB LYS A 43 -4.023 7.309 2.157 1.00 0.00 C ATOM 699 CG LYS A 43 -3.374 7.833 0.892 1.00 0.00 C ATOM 700 CD LYS A 43 -2.939 6.689 0.004 1.00 0.00 C ATOM 701 CE LYS A 43 -2.258 7.179 -1.262 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.163 8.020 -2.092 1.00 0.00 N ATOM 0 H LYS A 43 -4.488 6.413 4.377 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.474 8.033 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.806 6.245 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.105 7.407 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.075 8.471 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.513 8.450 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.257 6.041 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.807 6.086 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.371 7.754 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.921 6.323 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.137 7.689 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.135 7.948 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.850 9.011 -2.051 1.00 0.00 H new ATOM 716 N SER A 44 -5.358 9.627 3.610 1.00 0.00 N ATOM 717 CA SER A 44 -5.980 10.943 3.623 1.00 0.00 C ATOM 718 C SER A 44 -7.137 10.975 4.621 1.00 0.00 C ATOM 719 O SER A 44 -7.888 10.006 4.733 1.00 0.00 O ATOM 720 CB SER A 44 -6.483 11.300 2.223 1.00 0.00 C ATOM 721 OG SER A 44 -7.100 12.576 2.213 1.00 0.00 O ATOM 0 H SER A 44 -6.006 8.856 3.772 1.00 0.00 H new ATOM 0 HA SER A 44 -5.235 11.678 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.650 11.290 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.194 10.546 1.885 1.00 0.00 H new ATOM 0 HG SER A 44 -7.411 12.782 1.307 1.00 0.00 H new ATOM 727 N PRO A 45 -7.297 12.087 5.363 1.00 0.00 N ATOM 728 CA PRO A 45 -8.372 12.224 6.353 1.00 0.00 C ATOM 729 C PRO A 45 -9.743 11.919 5.759 1.00 0.00 C ATOM 730 O PRO A 45 -10.245 12.666 4.920 1.00 0.00 O ATOM 731 CB PRO A 45 -8.284 13.691 6.777 1.00 0.00 C ATOM 732 CG PRO A 45 -6.873 14.081 6.508 1.00 0.00 C ATOM 733 CD PRO A 45 -6.450 13.294 5.298 1.00 0.00 C ATOM 0 HA PRO A 45 -8.257 11.524 7.180 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.980 14.309 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.534 13.814 7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.792 15.152 6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.236 13.855 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.616 13.853 4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.390 13.043 5.332 1.00 0.00 H new ATOM 741 N ARG A 46 -10.336 10.811 6.199 1.00 0.00 N ATOM 742 CA ARG A 46 -11.649 10.406 5.709 1.00 0.00 C ATOM 743 C ARG A 46 -11.607 10.145 4.207 1.00 0.00 C ATOM 744 O ARG A 46 -11.741 11.066 3.401 1.00 0.00 O ATOM 745 CB ARG A 46 -12.700 11.472 6.030 1.00 0.00 C ATOM 746 CG ARG A 46 -12.854 11.744 7.518 1.00 0.00 C ATOM 747 CD ARG A 46 -13.911 12.804 7.784 1.00 0.00 C ATOM 748 NE ARG A 46 -14.072 13.070 9.211 1.00 0.00 N ATOM 749 CZ ARG A 46 -14.949 13.939 9.705 1.00 0.00 C ATOM 750 NH1 ARG A 46 -15.742 14.623 8.890 1.00 0.00 N ATOM 751 NH2 ARG A 46 -15.035 14.124 11.015 1.00 0.00 N ATOM 0 H ARG A 46 -9.929 10.181 6.891 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.927 9.481 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.431 12.400 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.662 11.156 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.125 10.821 8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.899 12.069 7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.636 13.726 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.864 12.479 7.366 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.478 12.561 9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.680 14.483 7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.414 15.289 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.428 13.600 11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.708 14.791 11.393 1.00 0.00 H new ATOM 765 N VAL A 47 -11.412 8.883 3.838 1.00 0.00 N ATOM 766 CA VAL A 47 -11.346 8.498 2.434 1.00 0.00 C ATOM 767 C VAL A 47 -12.725 8.522 1.786 1.00 0.00 C ATOM 768 O VAL A 47 -13.729 8.795 2.445 1.00 0.00 O ATOM 769 CB VAL A 47 -10.736 7.093 2.263 1.00 0.00 C ATOM 770 CG1 VAL A 47 -9.292 7.076 2.741 1.00 0.00 C ATOM 771 CG2 VAL A 47 -11.563 6.057 3.011 1.00 0.00 C ATOM 0 H VAL A 47 -11.297 8.110 4.493 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.705 9.228 1.940 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.748 6.839 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.878 6.076 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.708 7.788 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.254 7.352 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.117 5.071 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.585 6.306 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.580 6.051 2.619 1.00 0.00 H new ATOM 781 N ALA A 48 -12.765 8.235 0.489 1.00 0.00 N ATOM 782 CA ALA A 48 -14.019 8.223 -0.253 1.00 0.00 C ATOM 783 C ALA A 48 -14.615 6.817 -0.289 1.00 0.00 C ATOM 784 O ALA A 48 -13.907 5.834 -0.072 1.00 0.00 O ATOM 785 CB ALA A 48 -13.796 8.744 -1.665 1.00 0.00 C ATOM 0 H ALA A 48 -11.942 8.008 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.727 8.877 0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.739 8.731 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.417 9.765 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.072 8.110 -2.177 1.00 0.00 H new ATOM 791 N PRO A 49 -15.930 6.701 -0.560 1.00 0.00 N ATOM 792 CA PRO A 49 -16.612 5.402 -0.627 1.00 0.00 C ATOM 793 C PRO A 49 -16.027 4.490 -1.702 1.00 0.00 C ATOM 794 O PRO A 49 -16.496 3.370 -1.899 1.00 0.00 O ATOM 795 CB PRO A 49 -18.062 5.767 -0.970 1.00 0.00 C ATOM 796 CG PRO A 49 -18.203 7.199 -0.586 1.00 0.00 C ATOM 797 CD PRO A 49 -16.856 7.820 -0.810 1.00 0.00 C ATOM 0 HA PRO A 49 -16.509 4.847 0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -18.265 5.622 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -18.766 5.141 -0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.965 7.692 -1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.509 7.296 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -16.754 8.209 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.677 8.652 -0.129 1.00 0.00 H new ATOM 805 N GLY A 50 -15.002 4.978 -2.397 1.00 0.00 N ATOM 806 CA GLY A 50 -14.376 4.188 -3.441 1.00 0.00 C ATOM 807 C GLY A 50 -13.456 3.114 -2.892 1.00 0.00 C ATOM 808 O GLY A 50 -12.667 2.527 -3.632 1.00 0.00 O ATOM 0 H GLY A 50 -14.596 5.903 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.150 3.721 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.807 4.847 -4.098 1.00 0.00 H new ATOM 812 N SER A 51 -13.558 2.856 -1.591 1.00 0.00 N ATOM 813 CA SER A 51 -12.731 1.840 -0.948 1.00 0.00 C ATOM 814 C SER A 51 -13.472 0.509 -0.870 1.00 0.00 C ATOM 815 O SER A 51 -12.868 -0.538 -0.637 1.00 0.00 O ATOM 816 CB SER A 51 -12.324 2.295 0.456 1.00 0.00 C ATOM 817 OG SER A 51 -11.534 1.313 1.101 1.00 0.00 O ATOM 0 H SER A 51 -14.203 3.335 -0.963 1.00 0.00 H new ATOM 0 HA SER A 51 -11.833 1.702 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.767 3.230 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.216 2.496 1.049 1.00 0.00 H new ATOM 0 HG SER A 51 -11.655 0.450 0.653 1.00 0.00 H new ATOM 823 N ALA A 52 -14.785 0.562 -1.066 1.00 0.00 N ATOM 824 CA ALA A 52 -15.620 -0.634 -1.025 1.00 0.00 C ATOM 825 C ALA A 52 -15.645 -1.360 -2.373 1.00 0.00 C ATOM 826 O ALA A 52 -15.542 -2.587 -2.418 1.00 0.00 O ATOM 827 CB ALA A 52 -17.034 -0.277 -0.587 1.00 0.00 C ATOM 0 H ALA A 52 -15.296 1.424 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.182 -1.315 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.645 -1.179 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.005 0.171 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.465 0.433 -1.293 1.00 0.00 H new ATOM 833 N PRO A 53 -15.790 -0.616 -3.488 1.00 0.00 N ATOM 834 CA PRO A 53 -15.826 -1.202 -4.836 1.00 0.00 C ATOM 835 C PRO A 53 -14.686 -2.192 -5.087 1.00 0.00 C ATOM 836 O PRO A 53 -13.756 -2.292 -4.286 1.00 0.00 O ATOM 837 CB PRO A 53 -15.687 0.021 -5.745 1.00 0.00 C ATOM 838 CG PRO A 53 -16.288 1.130 -4.960 1.00 0.00 C ATOM 839 CD PRO A 53 -15.940 0.852 -3.529 1.00 0.00 C ATOM 0 HA PRO A 53 -16.733 -1.783 -5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.643 0.223 -5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.208 -0.125 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.892 2.094 -5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.368 1.167 -5.100 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.020 1.358 -3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -16.723 1.194 -2.852 1.00 0.00 H new ATOM 847 N PRO A 54 -14.751 -2.937 -6.211 1.00 0.00 N ATOM 848 CA PRO A 54 -13.739 -3.928 -6.580 1.00 0.00 C ATOM 849 C PRO A 54 -12.321 -3.520 -6.206 1.00 0.00 C ATOM 850 O PRO A 54 -11.768 -2.569 -6.758 1.00 0.00 O ATOM 851 CB PRO A 54 -13.893 -4.007 -8.094 1.00 0.00 C ATOM 852 CG PRO A 54 -15.349 -3.782 -8.328 1.00 0.00 C ATOM 853 CD PRO A 54 -15.827 -2.868 -7.224 1.00 0.00 C ATOM 0 HA PRO A 54 -13.886 -4.872 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.288 -3.252 -8.595 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.574 -4.976 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.519 -3.331 -9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.894 -4.726 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.972 -1.849 -7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.781 -3.200 -6.816 1.00 0.00 H new ATOM 861 N TRP A 55 -11.741 -4.253 -5.258 1.00 0.00 N ATOM 862 CA TRP A 55 -10.381 -3.987 -4.823 1.00 0.00 C ATOM 863 C TRP A 55 -9.387 -5.064 -5.292 1.00 0.00 C ATOM 864 O TRP A 55 -8.193 -4.935 -5.021 1.00 0.00 O ATOM 865 CB TRP A 55 -10.313 -3.837 -3.302 1.00 0.00 C ATOM 866 CG TRP A 55 -9.523 -2.633 -2.888 1.00 0.00 C ATOM 867 CD1 TRP A 55 -9.703 -1.361 -3.339 1.00 0.00 C ATOM 868 CD2 TRP A 55 -8.436 -2.580 -1.954 1.00 0.00 C ATOM 869 NE1 TRP A 55 -8.793 -0.516 -2.755 1.00 0.00 N ATOM 870 CE2 TRP A 55 -8.005 -1.238 -1.898 1.00 0.00 C ATOM 871 CE3 TRP A 55 -7.780 -3.526 -1.158 1.00 0.00 C ATOM 872 CZ2 TRP A 55 -6.954 -0.826 -1.084 1.00 0.00 C ATOM 873 CZ3 TRP A 55 -6.744 -3.111 -0.353 1.00 0.00 C ATOM 874 CH2 TRP A 55 -6.340 -1.773 -0.320 1.00 0.00 C ATOM 0 H TRP A 55 -12.194 -5.032 -4.781 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.087 -3.047 -5.290 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -11.323 -3.762 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -9.863 -4.731 -2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -10.454 -1.060 -4.054 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.716 0.486 -2.930 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.081 -4.563 -1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.637 0.206 -1.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.233 -3.833 0.266 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.524 -1.484 0.325 1.00 0.00 H new ATOM 885 N PRO A 56 -9.833 -6.150 -5.986 1.00 0.00 N ATOM 886 CA PRO A 56 -8.908 -7.178 -6.480 1.00 0.00 C ATOM 887 C PRO A 56 -7.775 -6.559 -7.285 1.00 0.00 C ATOM 888 O PRO A 56 -6.799 -7.227 -7.628 1.00 0.00 O ATOM 889 CB PRO A 56 -9.784 -8.057 -7.374 1.00 0.00 C ATOM 890 CG PRO A 56 -11.157 -7.894 -6.830 1.00 0.00 C ATOM 891 CD PRO A 56 -11.234 -6.481 -6.323 1.00 0.00 C ATOM 0 HA PRO A 56 -8.431 -7.732 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.730 -7.741 -8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.465 -9.099 -7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.906 -8.074 -7.601 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.347 -8.608 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.634 -5.806 -7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.884 -6.404 -5.451 1.00 0.00 H new ATOM 899 N ALA A 57 -7.930 -5.273 -7.592 1.00 0.00 N ATOM 900 CA ALA A 57 -6.929 -4.522 -8.335 1.00 0.00 C ATOM 901 C ALA A 57 -5.543 -4.752 -7.744 1.00 0.00 C ATOM 902 O ALA A 57 -4.533 -4.646 -8.437 1.00 0.00 O ATOM 903 CB ALA A 57 -7.291 -3.045 -8.316 1.00 0.00 C ATOM 0 H ALA A 57 -8.751 -4.727 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.910 -4.867 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.543 -2.480 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.269 -2.904 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.321 -2.691 -7.286 1.00 0.00 H new ATOM 909 N LEU A 58 -5.514 -5.073 -6.454 1.00 0.00 N ATOM 910 CA LEU A 58 -4.267 -5.341 -5.748 1.00 0.00 C ATOM 911 C LEU A 58 -3.624 -6.623 -6.272 1.00 0.00 C ATOM 912 O LEU A 58 -2.415 -6.677 -6.511 1.00 0.00 O ATOM 913 CB LEU A 58 -4.541 -5.449 -4.245 1.00 0.00 C ATOM 914 CG LEU A 58 -3.413 -6.045 -3.400 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.101 -5.323 -3.655 1.00 0.00 C ATOM 916 CD2 LEU A 58 -3.775 -5.975 -1.928 1.00 0.00 C ATOM 0 H LEU A 58 -6.348 -5.154 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.573 -4.519 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.766 -4.453 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.435 -6.055 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.285 -7.089 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.316 -5.767 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.834 -5.414 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.210 -4.269 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.967 -6.401 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.928 -4.935 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.691 -6.538 -1.751 1.00 0.00 H new ATOM 928 N ARG A 59 -4.444 -7.655 -6.445 1.00 0.00 N ATOM 929 CA ARG A 59 -3.960 -8.927 -6.957 1.00 0.00 C ATOM 930 C ARG A 59 -3.300 -8.726 -8.315 1.00 0.00 C ATOM 931 O ARG A 59 -2.332 -9.406 -8.658 1.00 0.00 O ATOM 932 CB ARG A 59 -5.110 -9.929 -7.075 1.00 0.00 C ATOM 933 CG ARG A 59 -5.789 -10.236 -5.751 1.00 0.00 C ATOM 934 CD ARG A 59 -6.938 -11.215 -5.928 1.00 0.00 C ATOM 935 NE ARG A 59 -6.492 -12.484 -6.496 1.00 0.00 N ATOM 936 CZ ARG A 59 -7.308 -13.498 -6.768 1.00 0.00 C ATOM 937 NH1 ARG A 59 -8.608 -13.393 -6.525 1.00 0.00 N ATOM 938 NH2 ARG A 59 -6.824 -14.620 -7.285 1.00 0.00 N ATOM 0 H ARG A 59 -5.443 -7.633 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.223 -9.325 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.851 -9.538 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.730 -10.857 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.060 -10.651 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.162 -9.312 -5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.412 -11.396 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.694 -10.773 -6.577 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.498 -12.599 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.985 -12.532 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.231 -14.173 -6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.825 -14.705 -7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.451 -15.397 -7.493 1.00 0.00 H new ATOM 952 N SER A 60 -3.837 -7.782 -9.083 1.00 0.00 N ATOM 953 CA SER A 60 -3.290 -7.483 -10.399 1.00 0.00 C ATOM 954 C SER A 60 -1.843 -7.018 -10.286 1.00 0.00 C ATOM 955 O SER A 60 -1.035 -7.247 -11.187 1.00 0.00 O ATOM 956 CB SER A 60 -4.131 -6.412 -11.096 1.00 0.00 C ATOM 957 OG SER A 60 -5.473 -6.837 -11.249 1.00 0.00 O ATOM 0 H SER A 60 -4.643 -7.216 -8.818 1.00 0.00 H new ATOM 0 HA SER A 60 -3.317 -8.395 -10.995 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.102 -5.489 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.703 -6.189 -12.073 1.00 0.00 H new ATOM 0 HG SER A 60 -5.990 -6.134 -11.695 1.00 0.00 H new ATOM 963 N LEU A 61 -1.518 -6.364 -9.172 1.00 0.00 N ATOM 964 CA LEU A 61 -0.162 -5.879 -8.951 1.00 0.00 C ATOM 965 C LEU A 61 0.778 -7.026 -8.606 1.00 0.00 C ATOM 966 O LEU A 61 1.961 -6.985 -8.944 1.00 0.00 O ATOM 967 CB LEU A 61 -0.127 -4.817 -7.853 1.00 0.00 C ATOM 968 CG LEU A 61 -0.460 -3.401 -8.320 1.00 0.00 C ATOM 969 CD1 LEU A 61 -1.963 -3.200 -8.404 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.176 -2.376 -7.397 1.00 0.00 C ATOM 0 H LEU A 61 -2.171 -6.160 -8.416 1.00 0.00 H new ATOM 0 HA LEU A 61 0.178 -5.421 -9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.830 -5.101 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.866 -4.812 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.049 -3.262 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.176 -2.185 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.386 -3.912 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.407 -3.359 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.070 -1.372 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.203 -2.514 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.258 -2.505 -7.400 1.00 0.00 H new ATOM 982 N LEU A 62 0.256 -8.048 -7.923 1.00 0.00 N ATOM 983 CA LEU A 62 1.067 -9.208 -7.574 1.00 0.00 C ATOM 984 C LEU A 62 1.744 -9.724 -8.830 1.00 0.00 C ATOM 985 O LEU A 62 2.909 -10.122 -8.821 1.00 0.00 O ATOM 986 CB LEU A 62 0.197 -10.321 -6.988 1.00 0.00 C ATOM 987 CG LEU A 62 -0.559 -9.983 -5.701 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.661 -11.004 -5.465 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.390 -9.953 -4.511 1.00 0.00 C ATOM 0 H LEU A 62 -0.712 -8.093 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 62 1.806 -8.912 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.530 -10.621 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.832 -11.186 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.004 -8.994 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.195 -10.757 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.356 -10.990 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.223 -11.998 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.168 -9.711 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.861 -10.929 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.158 -9.197 -4.677 1.00 0.00 H new ATOM 1001 N HIS A 63 0.979 -9.704 -9.913 1.00 0.00 N ATOM 1002 CA HIS A 63 1.454 -10.147 -11.209 1.00 0.00 C ATOM 1003 C HIS A 63 2.589 -9.256 -11.697 1.00 0.00 C ATOM 1004 O HIS A 63 3.551 -9.734 -12.300 1.00 0.00 O ATOM 1005 CB HIS A 63 0.297 -10.123 -12.206 1.00 0.00 C ATOM 1006 CG HIS A 63 0.672 -10.574 -13.583 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.495 -11.868 -14.026 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.215 -9.895 -14.623 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.915 -11.966 -15.276 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.354 -10.783 -15.661 1.00 0.00 N ATOM 0 H HIS A 63 0.012 -9.379 -9.914 1.00 0.00 H new ATOM 0 HA HIS A 63 1.836 -11.164 -11.120 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.505 -10.759 -11.832 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.100 -9.109 -12.262 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.488 -8.850 -14.633 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.901 -12.862 -15.879 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.735 -10.563 -16.581 1.00 0.00 H new ATOM 1019 N ARG A 64 2.472 -7.957 -11.434 1.00 0.00 N ATOM 1020 CA ARG A 64 3.493 -7.005 -11.843 1.00 0.00 C ATOM 1021 C ARG A 64 4.695 -7.081 -10.912 1.00 0.00 C ATOM 1022 O ARG A 64 5.707 -6.415 -11.131 1.00 0.00 O ATOM 1023 CB ARG A 64 2.922 -5.588 -11.860 1.00 0.00 C ATOM 1024 CG ARG A 64 1.701 -5.440 -12.754 1.00 0.00 C ATOM 1025 CD ARG A 64 1.325 -3.982 -12.942 1.00 0.00 C ATOM 1026 NE ARG A 64 2.370 -3.234 -13.636 1.00 0.00 N ATOM 1027 CZ ARG A 64 2.801 -2.038 -13.249 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.284 -1.462 -12.174 1.00 0.00 N ATOM 1029 NH2 ARG A 64 3.751 -1.420 -13.936 1.00 0.00 N ATOM 0 H ARG A 64 1.681 -7.543 -10.940 1.00 0.00 H new ATOM 0 HA ARG A 64 3.820 -7.260 -12.851 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.656 -5.299 -10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.695 -4.897 -12.196 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.902 -5.893 -13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.861 -5.980 -12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.396 -3.917 -13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.138 -3.527 -11.969 1.00 0.00 H new ATOM 0 HE ARG A 64 2.793 -3.653 -14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.554 -1.937 -11.642 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.616 -0.544 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.152 -1.862 -14.763 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.081 -0.502 -13.638 1.00 0.00 H new ATOM 1043 N ASN A 65 4.566 -7.897 -9.867 1.00 0.00 N ATOM 1044 CA ASN A 65 5.637 -8.092 -8.898 1.00 0.00 C ATOM 1045 C ASN A 65 5.882 -6.842 -8.055 1.00 0.00 C ATOM 1046 O ASN A 65 6.993 -6.620 -7.575 1.00 0.00 O ATOM 1047 CB ASN A 65 6.928 -8.510 -9.604 1.00 0.00 C ATOM 1048 CG ASN A 65 7.778 -9.412 -8.736 1.00 0.00 C ATOM 1049 OD1 ASN A 65 9.007 -9.395 -8.814 1.00 0.00 O ATOM 1050 ND2 ASN A 65 7.121 -10.210 -7.903 1.00 0.00 N ATOM 0 H ASN A 65 3.723 -8.436 -9.671 1.00 0.00 H new ATOM 0 HA ASN A 65 5.321 -8.888 -8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.684 -9.025 -10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.499 -7.621 -9.873 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.636 -10.844 -7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.102 -10.189 -7.874 1.00 0.00 H new ATOM 1057 N LEU A 66 4.844 -6.029 -7.868 1.00 0.00 N ATOM 1058 CA LEU A 66 4.968 -4.823 -7.053 1.00 0.00 C ATOM 1059 C LEU A 66 4.516 -5.119 -5.631 1.00 0.00 C ATOM 1060 O LEU A 66 4.895 -4.430 -4.684 1.00 0.00 O ATOM 1061 CB LEU A 66 4.136 -3.675 -7.618 1.00 0.00 C ATOM 1062 CG LEU A 66 4.229 -3.453 -9.132 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.799 -2.040 -9.477 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.637 -3.707 -9.646 1.00 0.00 C ATOM 0 H LEU A 66 3.917 -6.181 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 66 6.015 -4.520 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.091 -3.850 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.437 -2.755 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 66 3.561 -4.165 -9.617 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.868 -1.891 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.769 -1.884 -9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.450 -1.328 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.667 -3.540 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.332 -3.027 -9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.923 -4.736 -9.430 1.00 0.00 H new ATOM 1076 N VAL A 67 3.698 -6.155 -5.503 1.00 0.00 N ATOM 1077 CA VAL A 67 3.190 -6.587 -4.210 1.00 0.00 C ATOM 1078 C VAL A 67 3.364 -8.094 -4.054 1.00 0.00 C ATOM 1079 O VAL A 67 3.481 -8.817 -5.043 1.00 0.00 O ATOM 1080 CB VAL A 67 1.704 -6.223 -4.034 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.534 -4.722 -3.875 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.892 -6.727 -5.211 1.00 0.00 C ATOM 0 H VAL A 67 3.370 -6.716 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 67 3.763 -6.067 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 67 1.338 -6.706 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.477 -4.487 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.085 -4.384 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.918 -4.216 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.156 -6.461 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.262 -6.272 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.985 -7.811 -5.280 1.00 0.00 H new ATOM 1092 N LEU A 68 3.381 -8.564 -2.813 1.00 0.00 N ATOM 1093 CA LEU A 68 3.559 -9.986 -2.544 1.00 0.00 C ATOM 1094 C LEU A 68 2.279 -10.603 -1.995 1.00 0.00 C ATOM 1095 O LEU A 68 1.562 -9.966 -1.237 1.00 0.00 O ATOM 1096 CB LEU A 68 4.690 -10.189 -1.539 1.00 0.00 C ATOM 1097 CG LEU A 68 5.175 -11.634 -1.395 1.00 0.00 C ATOM 1098 CD1 LEU A 68 5.826 -12.111 -2.684 1.00 0.00 C ATOM 1099 CD2 LEU A 68 6.143 -11.757 -0.229 1.00 0.00 C ATOM 0 H LEU A 68 3.274 -7.985 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 68 3.808 -10.479 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.534 -9.566 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.357 -9.834 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 68 4.312 -12.268 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.164 -13.140 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.102 -12.061 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.679 -11.474 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.478 -12.791 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.004 -11.110 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.643 -11.458 0.692 1.00 0.00 H new ATOM 1111 N ARG A 69 2.004 -11.845 -2.385 1.00 0.00 N ATOM 1112 CA ARG A 69 0.814 -12.556 -1.916 1.00 0.00 C ATOM 1113 C ARG A 69 1.198 -13.724 -1.019 1.00 0.00 C ATOM 1114 O ARG A 69 2.288 -14.284 -1.147 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.031 -13.059 -3.083 1.00 0.00 C ATOM 1116 CG ARG A 69 0.785 -13.557 -4.258 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.032 -14.479 -5.144 1.00 0.00 C ATOM 1118 NE ARG A 69 0.746 -14.992 -6.267 1.00 0.00 N ATOM 1119 CZ ARG A 69 0.241 -15.765 -7.224 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -1.039 -16.114 -7.194 1.00 0.00 N ATOM 1121 NH2 ARG A 69 1.015 -16.192 -8.213 1.00 0.00 N ATOM 0 H ARG A 69 2.589 -12.382 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 69 0.220 -11.846 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.675 -13.865 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.683 -12.254 -3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.141 -12.708 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.666 -14.085 -3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.406 -15.314 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.902 -13.941 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 69 1.734 -14.743 -6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.639 -15.789 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.423 -16.707 -7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.000 -15.928 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.625 -16.785 -8.946 1.00 0.00 H new ATOM 1135 N THR A 70 0.299 -14.087 -0.112 1.00 0.00 N ATOM 1136 CA THR A 70 0.571 -15.175 0.815 1.00 0.00 C ATOM 1137 C THR A 70 -0.589 -16.177 0.900 1.00 0.00 C ATOM 1138 O THR A 70 -1.567 -16.090 0.157 1.00 0.00 O ATOM 1139 CB THR A 70 0.924 -14.629 2.212 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.636 -13.397 2.072 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.793 -15.610 2.986 1.00 0.00 C ATOM 0 H THR A 70 -0.615 -13.648 0.000 1.00 0.00 H new ATOM 0 HA THR A 70 1.432 -15.717 0.423 1.00 0.00 H new ATOM 0 HB THR A 70 -0.005 -14.477 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.111 -12.776 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.025 -15.195 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.259 -16.552 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.719 -15.786 2.439 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.434 -17.133 1.810 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.381 -18.228 2.034 1.00 0.00 C ATOM 1151 C HIS A 71 -2.844 -17.909 1.689 1.00 0.00 C ATOM 1152 O HIS A 71 -3.421 -18.602 0.853 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.307 -18.581 3.516 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.833 -19.970 3.795 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.578 -21.098 3.520 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.327 -20.407 4.334 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.895 -22.170 3.879 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.265 -21.778 4.375 1.00 0.00 N ATOM 0 H HIS A 71 0.375 -17.172 2.431 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.092 -19.040 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.640 -17.876 4.012 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.295 -18.451 3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.149 -19.792 4.670 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.228 -23.193 3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.996 -22.394 4.731 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.412 -16.867 2.322 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.819 -16.461 2.073 1.00 0.00 C ATOM 1169 C GLN A 72 -5.584 -16.323 3.400 1.00 0.00 C ATOM 1170 O GLN A 72 -5.755 -17.313 4.112 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.575 -17.454 1.180 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.034 -17.087 0.959 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.750 -18.067 0.050 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.321 -19.056 0.509 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.723 -17.795 -1.250 1.00 0.00 N ATOM 0 H GLN A 72 -2.926 -16.289 3.008 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.770 -15.503 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.074 -17.515 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.523 -18.446 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.545 -17.049 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.092 -16.088 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.238 -16.964 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.188 -18.417 -1.911 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.060 -15.105 3.768 1.00 0.00 N ATOM 1185 CA PRO A 73 -5.887 -13.875 2.977 1.00 0.00 C ATOM 1186 C PRO A 73 -4.429 -13.631 2.639 1.00 0.00 C ATOM 1187 O PRO A 73 -3.592 -13.474 3.529 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.417 -12.774 3.898 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.372 -13.469 4.803 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.814 -14.850 5.009 1.00 0.00 C ATOM 0 HA PRO A 73 -6.407 -13.922 2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.609 -12.304 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.911 -11.986 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.466 -12.940 5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.368 -13.512 4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.169 -14.896 5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.605 -15.585 5.156 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.130 -13.608 1.346 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.760 -13.425 0.914 1.00 0.00 C ATOM 1200 C ALA A 74 -2.129 -12.211 1.563 1.00 0.00 C ATOM 1201 O ALA A 74 -2.443 -11.076 1.209 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.703 -13.305 -0.601 1.00 0.00 C ATOM 0 H ALA A 74 -4.809 -13.712 0.592 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.190 -14.300 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.669 -13.168 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.103 -14.213 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.297 -12.449 -0.921 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.244 -12.450 2.521 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.559 -11.352 3.183 1.00 0.00 C ATOM 1210 C ARG A 75 0.201 -10.569 2.118 1.00 0.00 C ATOM 1211 O ARG A 75 0.927 -11.153 1.314 1.00 0.00 O ATOM 1212 CB ARG A 75 0.387 -11.902 4.256 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.305 -12.837 5.242 1.00 0.00 C ATOM 1214 CD ARG A 75 0.667 -13.829 5.866 1.00 0.00 C ATOM 1215 NE ARG A 75 0.132 -14.420 7.089 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.756 -15.365 7.787 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.932 -15.826 7.381 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.203 -15.851 8.889 1.00 0.00 N ATOM 0 H ARG A 75 -0.987 -13.380 2.852 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.268 -10.691 3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.205 -12.435 3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.829 -11.069 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.778 -12.249 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.099 -13.381 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.890 -14.619 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.608 -13.325 6.088 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.772 -14.090 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.359 -15.456 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.409 -16.551 7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.702 -15.500 9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.682 -16.576 9.423 1.00 0.00 H new ATOM 1232 N TYR A 76 0.036 -9.252 2.104 1.00 0.00 N ATOM 1233 CA TYR A 76 0.691 -8.460 1.074 1.00 0.00 C ATOM 1234 C TYR A 76 1.903 -7.703 1.585 1.00 0.00 C ATOM 1235 O TYR A 76 1.888 -7.123 2.668 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.316 -7.512 0.424 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.448 -8.247 -0.257 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.224 -8.963 -1.426 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.732 -8.243 0.274 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.243 -9.653 -2.050 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.761 -8.929 -0.347 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.511 -9.632 -1.508 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.532 -10.318 -2.126 1.00 0.00 O ATOM 0 H TYR A 76 -0.527 -8.724 2.771 1.00 0.00 H new ATOM 0 HA TYR A 76 1.067 -9.156 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.725 -6.845 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.198 -6.886 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.233 -8.980 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.930 -7.697 1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.049 -10.206 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.755 -8.914 0.075 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.360 -10.201 -1.615 1.00 0.00 H new ATOM 1253 N SER A 77 2.955 -7.717 0.770 1.00 0.00 N ATOM 1254 CA SER A 77 4.200 -7.044 1.112 1.00 0.00 C ATOM 1255 C SER A 77 4.817 -6.383 -0.116 1.00 0.00 C ATOM 1256 O SER A 77 4.908 -6.990 -1.181 1.00 0.00 O ATOM 1257 CB SER A 77 5.190 -8.039 1.720 1.00 0.00 C ATOM 1258 OG SER A 77 4.653 -8.651 2.879 1.00 0.00 O ATOM 0 H SER A 77 2.967 -8.189 -0.134 1.00 0.00 H new ATOM 0 HA SER A 77 3.976 -6.269 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.440 -8.803 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.117 -7.525 1.973 1.00 0.00 H new ATOM 0 HG SER A 77 4.929 -8.147 3.673 1.00 0.00 H new ATOM 1264 N LEU A 78 5.243 -5.136 0.046 1.00 0.00 N ATOM 1265 CA LEU A 78 5.858 -4.395 -1.050 1.00 0.00 C ATOM 1266 C LEU A 78 7.071 -5.131 -1.608 1.00 0.00 C ATOM 1267 O LEU A 78 7.998 -5.457 -0.865 1.00 0.00 O ATOM 1268 CB LEU A 78 6.328 -3.025 -0.570 1.00 0.00 C ATOM 1269 CG LEU A 78 5.291 -1.909 -0.565 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.963 -0.595 -0.222 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.600 -1.802 -1.911 1.00 0.00 C ATOM 0 H LEU A 78 5.175 -4.618 0.922 1.00 0.00 H new ATOM 0 HA LEU A 78 5.101 -4.292 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.716 -3.134 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.162 -2.712 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 78 4.535 -2.141 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.221 0.203 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.422 -0.668 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.730 -0.374 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.865 -0.998 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.339 -1.588 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.099 -2.743 -2.139 1.00 0.00 H new ATOM 1283 N THR A 79 7.070 -5.395 -2.911 1.00 0.00 N ATOM 1284 CA THR A 79 8.213 -6.052 -3.524 1.00 0.00 C ATOM 1285 C THR A 79 9.221 -4.983 -3.964 1.00 0.00 C ATOM 1286 O THR A 79 8.962 -3.799 -3.771 1.00 0.00 O ATOM 1287 CB THR A 79 7.766 -6.919 -4.717 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.363 -6.766 -4.933 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.074 -8.391 -4.474 1.00 0.00 C ATOM 0 H THR A 79 6.307 -5.169 -3.549 1.00 0.00 H new ATOM 0 HA THR A 79 8.687 -6.715 -2.801 1.00 0.00 H new ATOM 0 HB THR A 79 8.317 -6.586 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.998 -7.593 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.747 -8.978 -5.333 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.147 -8.520 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.548 -8.730 -3.582 1.00 0.00 H new ATOM 1297 N PRO A 80 10.381 -5.355 -4.547 1.00 0.00 N ATOM 1298 CA PRO A 80 11.387 -4.374 -4.977 1.00 0.00 C ATOM 1299 C PRO A 80 10.798 -3.168 -5.703 1.00 0.00 C ATOM 1300 O PRO A 80 11.036 -2.026 -5.311 1.00 0.00 O ATOM 1301 CB PRO A 80 12.256 -5.187 -5.928 1.00 0.00 C ATOM 1302 CG PRO A 80 12.219 -6.564 -5.367 1.00 0.00 C ATOM 1303 CD PRO A 80 10.834 -6.740 -4.802 1.00 0.00 C ATOM 0 HA PRO A 80 11.914 -3.941 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.866 -5.161 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.274 -4.800 -5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.424 -7.306 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.976 -6.691 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.177 -7.253 -5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.847 -7.332 -3.887 1.00 0.00 H new ATOM 1311 N GLU A 81 10.035 -3.418 -6.758 1.00 0.00 N ATOM 1312 CA GLU A 81 9.434 -2.331 -7.518 1.00 0.00 C ATOM 1313 C GLU A 81 8.446 -1.546 -6.664 1.00 0.00 C ATOM 1314 O GLU A 81 8.446 -0.315 -6.676 1.00 0.00 O ATOM 1315 CB GLU A 81 8.736 -2.874 -8.761 1.00 0.00 C ATOM 1316 CG GLU A 81 9.686 -3.432 -9.806 1.00 0.00 C ATOM 1317 CD GLU A 81 10.494 -4.610 -9.299 1.00 0.00 C ATOM 1318 OE1 GLU A 81 9.941 -5.729 -9.240 1.00 0.00 O ATOM 1319 OE2 GLU A 81 11.682 -4.415 -8.966 1.00 0.00 O ATOM 0 H GLU A 81 9.819 -4.353 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 81 10.232 -1.655 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.040 -3.658 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.144 -2.077 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.115 -3.740 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.366 -2.644 -10.130 1.00 0.00 H new ATOM 1326 N GLY A 82 7.601 -2.262 -5.929 1.00 0.00 N ATOM 1327 CA GLY A 82 6.636 -1.585 -5.081 1.00 0.00 C ATOM 1328 C GLY A 82 7.311 -0.733 -4.032 1.00 0.00 C ATOM 1329 O GLY A 82 6.778 0.293 -3.622 1.00 0.00 O ATOM 0 H GLY A 82 7.566 -3.281 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.988 -0.960 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.999 -2.323 -4.595 1.00 0.00 H new ATOM 1333 N LEU A 83 8.490 -1.166 -3.598 1.00 0.00 N ATOM 1334 CA LEU A 83 9.246 -0.432 -2.597 1.00 0.00 C ATOM 1335 C LEU A 83 9.750 0.872 -3.190 1.00 0.00 C ATOM 1336 O LEU A 83 9.550 1.946 -2.624 1.00 0.00 O ATOM 1337 CB LEU A 83 10.430 -1.269 -2.103 1.00 0.00 C ATOM 1338 CG LEU A 83 10.551 -1.413 -0.582 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.555 -0.055 0.102 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.421 -2.266 -0.039 1.00 0.00 C ATOM 0 H LEU A 83 8.940 -2.021 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 83 8.593 -0.217 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.355 -2.265 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.350 -0.824 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 83 11.501 -1.904 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.642 -0.191 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.400 0.532 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.626 0.469 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.522 -2.358 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.466 -1.798 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.462 -3.256 -0.493 1.00 0.00 H new ATOM 1352 N GLU A 84 10.407 0.764 -4.342 1.00 0.00 N ATOM 1353 CA GLU A 84 10.937 1.943 -5.011 1.00 0.00 C ATOM 1354 C GLU A 84 9.832 2.943 -5.286 1.00 0.00 C ATOM 1355 O GLU A 84 9.926 4.111 -4.909 1.00 0.00 O ATOM 1356 CB GLU A 84 11.613 1.542 -6.314 1.00 0.00 C ATOM 1357 CG GLU A 84 12.833 0.673 -6.096 1.00 0.00 C ATOM 1358 CD GLU A 84 14.104 1.480 -5.919 1.00 0.00 C ATOM 1359 OE1 GLU A 84 14.770 1.768 -6.935 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.435 1.822 -4.765 1.00 0.00 O ATOM 0 H GLU A 84 10.582 -0.117 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 84 11.672 2.411 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.898 1.007 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.904 2.440 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.677 0.050 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.951 -0.000 -6.945 1.00 0.00 H new ATOM 1367 N LEU A 85 8.779 2.469 -5.936 1.00 0.00 N ATOM 1368 CA LEU A 85 7.659 3.318 -6.253 1.00 0.00 C ATOM 1369 C LEU A 85 7.055 3.898 -4.983 1.00 0.00 C ATOM 1370 O LEU A 85 6.817 5.099 -4.896 1.00 0.00 O ATOM 1371 CB LEU A 85 6.613 2.510 -7.015 1.00 0.00 C ATOM 1372 CG LEU A 85 6.981 2.164 -8.459 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.900 1.302 -9.092 1.00 0.00 C ATOM 1374 CD2 LEU A 85 7.196 3.433 -9.272 1.00 0.00 C ATOM 0 H LEU A 85 8.684 1.503 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 85 8.001 4.145 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.427 1.583 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.678 3.070 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 85 7.912 1.598 -8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.178 1.065 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.792 0.378 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.954 1.844 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.457 3.169 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.281 4.025 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.005 4.015 -8.830 1.00 0.00 H new ATOM 1386 N ALA A 86 6.836 3.041 -3.991 1.00 0.00 N ATOM 1387 CA ALA A 86 6.247 3.486 -2.732 1.00 0.00 C ATOM 1388 C ALA A 86 7.020 4.658 -2.145 1.00 0.00 C ATOM 1389 O ALA A 86 6.423 5.614 -1.651 1.00 0.00 O ATOM 1390 CB ALA A 86 6.181 2.342 -1.737 1.00 0.00 C ATOM 0 H ALA A 86 7.054 2.045 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 86 5.232 3.823 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.739 2.695 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.570 1.538 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.187 1.970 -1.543 1.00 0.00 H new ATOM 1396 N GLN A 87 8.348 4.580 -2.188 1.00 0.00 N ATOM 1397 CA GLN A 87 9.170 5.667 -1.671 1.00 0.00 C ATOM 1398 C GLN A 87 8.793 6.957 -2.381 1.00 0.00 C ATOM 1399 O GLN A 87 8.782 8.036 -1.788 1.00 0.00 O ATOM 1400 CB GLN A 87 10.657 5.372 -1.884 1.00 0.00 C ATOM 1401 CG GLN A 87 11.168 4.181 -1.089 1.00 0.00 C ATOM 1402 CD GLN A 87 12.638 3.903 -1.334 1.00 0.00 C ATOM 1403 OE1 GLN A 87 12.995 3.143 -2.234 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.499 4.519 -0.533 1.00 0.00 N ATOM 0 H GLN A 87 8.869 3.790 -2.569 1.00 0.00 H new ATOM 0 HA GLN A 87 8.992 5.767 -0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.833 5.191 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.235 6.254 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.009 4.363 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.586 3.297 -1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.158 5.141 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.501 4.371 -0.651 1.00 0.00 H new ATOM 1413 N LYS A 88 8.485 6.821 -3.665 1.00 0.00 N ATOM 1414 CA LYS A 88 8.092 7.963 -4.479 1.00 0.00 C ATOM 1415 C LYS A 88 6.694 8.444 -4.105 1.00 0.00 C ATOM 1416 O LYS A 88 6.482 9.630 -3.849 1.00 0.00 O ATOM 1417 CB LYS A 88 8.135 7.575 -5.953 1.00 0.00 C ATOM 1418 CG LYS A 88 9.389 6.799 -6.331 1.00 0.00 C ATOM 1419 CD LYS A 88 9.390 6.395 -7.796 1.00 0.00 C ATOM 1420 CE LYS A 88 10.533 5.437 -8.104 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.563 5.052 -9.541 1.00 0.00 N ATOM 0 H LYS A 88 8.500 5.932 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 88 8.790 8.779 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.258 6.973 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.076 8.477 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.269 7.408 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.464 5.907 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.440 5.923 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.479 7.284 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.480 5.903 -7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.432 4.542 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.003 4.115 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.592 5.019 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.115 5.752 -10.077 1.00 0.00 H new ATOM 1435 N LEU A 89 5.742 7.516 -4.085 1.00 0.00 N ATOM 1436 CA LEU A 89 4.372 7.846 -3.729 1.00 0.00 C ATOM 1437 C LEU A 89 4.331 8.518 -2.363 1.00 0.00 C ATOM 1438 O LEU A 89 3.414 9.278 -2.051 1.00 0.00 O ATOM 1439 CB LEU A 89 3.525 6.573 -3.705 1.00 0.00 C ATOM 1440 CG LEU A 89 3.081 6.052 -5.075 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.274 5.751 -5.966 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.218 4.810 -4.913 1.00 0.00 C ATOM 0 H LEU A 89 5.896 6.533 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 89 3.969 8.534 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.093 5.789 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.637 6.759 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 89 2.492 6.834 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.924 5.383 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.856 6.660 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.899 4.993 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.910 4.451 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.790 4.033 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.335 5.055 -4.323 1.00 0.00 H new ATOM 1454 N ALA A 90 5.343 8.223 -1.561 1.00 0.00 N ATOM 1455 CA ALA A 90 5.445 8.780 -0.216 1.00 0.00 C ATOM 1456 C ALA A 90 5.903 10.234 -0.243 1.00 0.00 C ATOM 1457 O ALA A 90 5.516 11.030 0.611 1.00 0.00 O ATOM 1458 CB ALA A 90 6.399 7.940 0.618 1.00 0.00 C ATOM 0 H ALA A 90 6.108 7.599 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 90 4.453 8.758 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.472 8.360 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.026 6.918 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.385 7.939 0.153 1.00 0.00 H new ATOM 1464 N GLU A 91 6.729 10.572 -1.227 1.00 0.00 N ATOM 1465 CA GLU A 91 7.238 11.935 -1.358 1.00 0.00 C ATOM 1466 C GLU A 91 6.087 12.930 -1.388 1.00 0.00 C ATOM 1467 O GLU A 91 6.118 13.962 -0.718 1.00 0.00 O ATOM 1468 CB GLU A 91 8.067 12.084 -2.631 1.00 0.00 C ATOM 1469 CG GLU A 91 9.035 10.943 -2.847 1.00 0.00 C ATOM 1470 CD GLU A 91 9.826 11.083 -4.132 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.284 10.742 -5.205 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.989 11.535 -4.067 1.00 0.00 O ATOM 0 H GLU A 91 7.060 9.925 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 91 7.872 12.140 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.397 12.151 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.623 13.021 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.725 10.892 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.484 10.003 -2.865 1.00 0.00 H new ATOM 1479 N SER A 92 5.076 12.600 -2.179 1.00 0.00 N ATOM 1480 CA SER A 92 3.902 13.447 -2.320 1.00 0.00 C ATOM 1481 C SER A 92 3.172 13.612 -0.988 1.00 0.00 C ATOM 1482 O SER A 92 2.512 14.624 -0.753 1.00 0.00 O ATOM 1483 CB SER A 92 2.965 12.844 -3.363 1.00 0.00 C ATOM 1484 OG SER A 92 1.819 13.654 -3.556 1.00 0.00 O ATOM 0 H SER A 92 5.046 11.746 -2.736 1.00 0.00 H new ATOM 0 HA SER A 92 4.226 14.436 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.495 12.730 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.659 11.847 -3.047 1.00 0.00 H new ATOM 0 HG SER A 92 1.238 13.244 -4.230 1.00 0.00 H new ATOM 1490 N GLU A 93 3.295 12.612 -0.121 1.00 0.00 N ATOM 1491 CA GLU A 93 2.649 12.654 1.183 1.00 0.00 C ATOM 1492 C GLU A 93 3.572 13.289 2.212 1.00 0.00 C ATOM 1493 O GLU A 93 3.210 13.441 3.379 1.00 0.00 O ATOM 1494 CB GLU A 93 2.302 11.238 1.635 1.00 0.00 C ATOM 1495 CG GLU A 93 1.717 10.369 0.538 1.00 0.00 C ATOM 1496 CD GLU A 93 0.310 10.779 0.153 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.649 10.257 0.761 1.00 0.00 O ATOM 1498 OE2 GLU A 93 0.164 11.623 -0.758 1.00 0.00 O ATOM 0 H GLU A 93 3.835 11.765 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 93 1.740 13.249 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.202 10.760 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.591 11.294 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.359 10.420 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.711 9.330 0.868 1.00 0.00 H new ATOM 1505 N GLY A 94 4.767 13.657 1.768 1.00 0.00 N ATOM 1506 CA GLY A 94 5.724 14.234 2.688 1.00 0.00 C ATOM 1507 C GLY A 94 6.465 13.141 3.422 1.00 0.00 C ATOM 1508 O GLY A 94 7.323 13.403 4.267 1.00 0.00 O ATOM 0 H GLY A 94 5.086 13.568 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.431 14.861 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.211 14.878 3.402 1.00 0.00 H new ATOM 1512 N LEU A 95 6.113 11.902 3.084 1.00 0.00 N ATOM 1513 CA LEU A 95 6.718 10.722 3.683 1.00 0.00 C ATOM 1514 C LEU A 95 6.490 10.701 5.189 1.00 0.00 C ATOM 1515 O LEU A 95 7.297 10.161 5.946 1.00 0.00 O ATOM 1516 CB LEU A 95 8.214 10.673 3.369 1.00 0.00 C ATOM 1517 CG LEU A 95 8.732 9.316 2.878 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.252 9.275 2.930 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.133 8.179 3.694 1.00 0.00 C ATOM 0 H LEU A 95 5.399 11.692 2.386 1.00 0.00 H new ATOM 0 HA LEU A 95 6.242 9.840 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.435 11.425 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.767 10.953 4.266 1.00 0.00 H new ATOM 0 HG LEU A 95 8.420 9.187 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.602 8.305 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.659 10.060 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.585 9.431 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.516 7.227 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.407 8.300 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.047 8.195 3.598 1.00 0.00 H new ATOM 1531 N SER A 96 5.374 11.282 5.613 1.00 0.00 N ATOM 1532 CA SER A 96 5.030 11.329 7.028 1.00 0.00 C ATOM 1533 C SER A 96 4.191 10.115 7.415 1.00 0.00 C ATOM 1534 O SER A 96 3.258 10.220 8.213 1.00 0.00 O ATOM 1535 CB SER A 96 4.268 12.619 7.340 1.00 0.00 C ATOM 1536 OG SER A 96 3.954 12.708 8.718 1.00 0.00 O ATOM 0 H SER A 96 4.693 11.727 4.998 1.00 0.00 H new ATOM 0 HA SER A 96 5.951 11.312 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.868 13.480 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.351 12.654 6.752 1.00 0.00 H new ATOM 0 HG SER A 96 3.519 11.879 9.009 1.00 0.00 H new ATOM 1542 N LEU A 97 4.538 8.961 6.855 1.00 0.00 N ATOM 1543 CA LEU A 97 3.802 7.740 7.152 1.00 0.00 C ATOM 1544 C LEU A 97 4.438 7.006 8.328 1.00 0.00 C ATOM 1545 O LEU A 97 3.875 6.967 9.422 1.00 0.00 O ATOM 1546 CB LEU A 97 3.763 6.822 5.924 1.00 0.00 C ATOM 1547 CG LEU A 97 3.077 7.409 4.686 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.973 8.434 4.002 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.695 6.302 3.717 1.00 0.00 C ATOM 0 H LEU A 97 5.313 8.847 6.202 1.00 0.00 H new ATOM 0 HA LEU A 97 2.781 8.015 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.786 6.554 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.253 5.899 6.198 1.00 0.00 H new ATOM 0 HG LEU A 97 2.168 7.917 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.463 8.836 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.195 9.244 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.903 7.956 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.209 6.735 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.591 5.766 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.010 5.610 4.207 1.00 0.00 H new ATOM 1561 N LEU A 98 5.610 6.424 8.088 1.00 0.00 N ATOM 1562 CA LEU A 98 6.328 5.702 9.136 1.00 0.00 C ATOM 1563 C LEU A 98 6.367 6.504 10.434 1.00 0.00 C ATOM 1564 O LEU A 98 6.924 7.601 10.478 1.00 0.00 O ATOM 1565 CB LEU A 98 7.757 5.394 8.682 1.00 0.00 C ATOM 1566 CG LEU A 98 7.880 4.352 7.569 1.00 0.00 C ATOM 1567 CD1 LEU A 98 9.299 4.325 7.022 1.00 0.00 C ATOM 1568 CD2 LEU A 98 7.485 2.977 8.085 1.00 0.00 C ATOM 0 H LEU A 98 6.081 6.437 7.183 1.00 0.00 H new ATOM 0 HA LEU A 98 5.795 4.770 9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.220 6.320 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.328 5.050 9.544 1.00 0.00 H new ATOM 0 HG LEU A 98 7.203 4.627 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.370 3.578 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.552 5.306 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.993 4.071 7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.578 2.246 7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.141 2.695 8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.453 3.002 8.435 1.00 0.00 H new ATOM 1580 N ASN A 99 5.771 5.944 11.486 1.00 0.00 N ATOM 1581 CA ASN A 99 5.734 6.593 12.796 1.00 0.00 C ATOM 1582 C ASN A 99 4.950 7.902 12.746 1.00 0.00 C ATOM 1583 O ASN A 99 5.307 8.826 12.015 1.00 0.00 O ATOM 1584 CB ASN A 99 7.153 6.851 13.306 1.00 0.00 C ATOM 1585 CG ASN A 99 7.165 7.519 14.668 1.00 0.00 C ATOM 1586 OD1 ASN A 99 7.167 8.745 14.770 1.00 0.00 O ATOM 1587 ND2 ASN A 99 7.175 6.712 15.722 1.00 0.00 N ATOM 0 H ASN A 99 5.305 5.037 11.456 1.00 0.00 H new ATOM 0 HA ASN A 99 5.225 5.919 13.485 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.693 5.906 13.363 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.684 7.479 12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.185 7.103 16.664 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.173 5.701 15.590 1.00 0.00 H new ATOM 1594 N VAL A 100 3.882 7.974 13.535 1.00 0.00 N ATOM 1595 CA VAL A 100 3.046 9.169 13.588 1.00 0.00 C ATOM 1596 C VAL A 100 2.678 9.517 15.026 1.00 0.00 C ATOM 1597 O VAL A 100 2.894 8.723 15.942 1.00 0.00 O ATOM 1598 CB VAL A 100 1.754 8.992 12.768 1.00 0.00 C ATOM 1599 CG1 VAL A 100 2.078 8.755 11.302 1.00 0.00 C ATOM 1600 CG2 VAL A 100 0.916 7.851 13.328 1.00 0.00 C ATOM 0 H VAL A 100 3.575 7.218 14.147 1.00 0.00 H new ATOM 0 HA VAL A 100 3.630 9.982 13.157 1.00 0.00 H new ATOM 0 HB VAL A 100 1.172 9.910 12.843 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.152 8.632 10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.631 9.608 10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.684 7.854 11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.008 7.742 12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.489 6.925 13.288 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.650 8.068 14.363 1.00 0.00 H new ATOM 1610 N GLY A 101 2.121 10.709 15.218 1.00 0.00 N ATOM 1611 CA GLY A 101 1.731 11.138 16.549 1.00 0.00 C ATOM 1612 C GLY A 101 2.484 12.371 17.008 1.00 0.00 C ATOM 1613 O GLY A 101 3.513 12.264 17.676 1.00 0.00 O ATOM 0 H GLY A 101 1.933 11.384 14.477 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.661 11.345 16.561 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.907 10.326 17.255 1.00 0.00 H new ATOM 1617 N ILE A 102 1.971 13.543 16.649 1.00 0.00 N ATOM 1618 CA ILE A 102 2.601 14.803 17.028 1.00 0.00 C ATOM 1619 C ILE A 102 1.559 15.873 17.338 1.00 0.00 C ATOM 1620 O ILE A 102 1.900 17.001 17.694 1.00 0.00 O ATOM 1621 CB ILE A 102 3.551 15.315 15.924 1.00 0.00 C ATOM 1622 CG1 ILE A 102 2.913 15.167 14.538 1.00 0.00 C ATOM 1623 CG2 ILE A 102 4.877 14.571 15.982 1.00 0.00 C ATOM 1624 CD1 ILE A 102 1.783 16.139 14.272 1.00 0.00 C ATOM 0 H ILE A 102 1.120 13.647 16.096 1.00 0.00 H new ATOM 0 HA ILE A 102 3.184 14.605 17.928 1.00 0.00 H new ATOM 0 HB ILE A 102 3.736 16.375 16.098 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.683 15.304 13.779 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.536 14.150 14.430 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.537 14.942 15.198 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.342 14.732 16.954 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.703 13.505 15.835 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.385 15.970 13.271 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.992 15.988 15.007 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.157 17.160 14.346 1.00 0.00 H new ATOM 1636 N GLY A 103 0.287 15.509 17.202 1.00 0.00 N ATOM 1637 CA GLY A 103 -0.785 16.449 17.473 1.00 0.00 C ATOM 1638 C GLY A 103 -2.020 16.177 16.637 1.00 0.00 C ATOM 1639 O GLY A 103 -2.889 15.408 17.097 1.00 0.00 O ATOM 1640 OXT GLY A 103 -2.118 16.732 15.523 1.00 0.00 O ATOM 0 H GLY A 103 -0.020 14.581 16.909 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.048 16.401 18.530 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.434 17.462 17.278 1.00 0.00 H new TER 1644 GLY A 103