USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 761 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.2!) USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= -0.0184 (180deg=-0.355) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0844 K(o=-0.084,f=-2!) USER MOD Single : A 33 THR OG1 : rot 100:sc= 0.431 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.167 (180deg=-0.341) USER MOD Single : A 43 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0525 X(o=-0.052,f=-0.037) USER MOD Single : A 47 HIS : no HD1:sc= -0.0556 K(o=-0.056,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0342) USER MOD Single : A 59 CYS SG : rot 150:sc= -3.55! USER MOD Single : A 60 HIS : no HE2:sc= -5.8! C(o=-5.8!,f=-5.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 0.402 (180deg=0.204) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.22) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.556 -1.844 9.460 1.00 0.00 N ATOM 21 CA LEU A 2 -11.433 -2.367 8.418 1.00 0.00 C ATOM 22 C LEU A 2 -10.825 -3.602 7.764 1.00 0.00 C ATOM 23 O LEU A 2 -9.705 -3.999 8.083 1.00 0.00 O ATOM 24 CB LEU A 2 -11.699 -1.293 7.361 1.00 0.00 C ATOM 25 CG LEU A 2 -12.746 -0.248 7.750 1.00 0.00 C ATOM 26 CD1 LEU A 2 -12.438 1.087 7.089 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.140 -0.724 7.370 1.00 0.00 C ATOM 0 HA LEU A 2 -12.377 -2.653 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.762 -0.782 7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.020 -1.782 6.441 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.712 -0.112 8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.193 1.818 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.456 1.434 7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.444 0.967 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.872 0.032 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.187 -0.889 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.360 -1.656 7.890 1.00 0.00 H new ATOM 39 N LYS A 3 -11.572 -4.207 6.845 1.00 0.00 N ATOM 40 CA LYS A 3 -11.107 -5.399 6.145 1.00 0.00 C ATOM 41 C LYS A 3 -10.034 -5.046 5.120 1.00 0.00 C ATOM 42 O LYS A 3 -10.003 -3.930 4.599 1.00 0.00 O ATOM 43 CB LYS A 3 -12.278 -6.100 5.455 1.00 0.00 C ATOM 44 CG LYS A 3 -12.068 -7.595 5.271 1.00 0.00 C ATOM 45 CD LYS A 3 -11.582 -7.920 3.868 1.00 0.00 C ATOM 46 CE LYS A 3 -12.594 -7.498 2.815 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.576 -8.405 1.634 1.00 0.00 N ATOM 0 H LYS A 3 -12.501 -3.891 6.568 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.671 -6.074 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.184 -5.938 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.442 -5.642 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.343 -7.954 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.003 -8.121 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.633 -7.416 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.395 -8.991 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.592 -7.491 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.380 -6.479 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.280 -8.084 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.631 -8.392 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.805 -9.373 1.936 1.00 0.00 H new ATOM 61 N LEU A 4 -9.159 -6.002 4.834 1.00 0.00 N ATOM 62 CA LEU A 4 -8.084 -5.793 3.869 1.00 0.00 C ATOM 63 C LEU A 4 -8.180 -6.795 2.723 1.00 0.00 C ATOM 64 O LEU A 4 -8.576 -7.944 2.921 1.00 0.00 O ATOM 65 CB LEU A 4 -6.723 -5.916 4.555 1.00 0.00 C ATOM 66 CG LEU A 4 -5.521 -5.548 3.681 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.068 -4.124 3.969 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.379 -6.529 3.901 1.00 0.00 C ATOM 0 H LEU A 4 -9.172 -6.930 5.256 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.187 -4.788 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.719 -5.278 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.600 -6.942 4.902 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.825 -5.606 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.213 -3.880 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.884 -3.433 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.782 -4.038 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.534 -6.251 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.075 -6.505 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.709 -7.535 3.642 1.00 0.00 H new ATOM 80 N ASN A 5 -7.815 -6.352 1.525 1.00 0.00 N ATOM 81 CA ASN A 5 -7.859 -7.210 0.347 1.00 0.00 C ATOM 82 C ASN A 5 -6.534 -7.159 -0.409 1.00 0.00 C ATOM 83 O ASN A 5 -5.659 -6.352 -0.095 1.00 0.00 O ATOM 84 CB ASN A 5 -9.004 -6.786 -0.576 1.00 0.00 C ATOM 85 CG ASN A 5 -9.744 -7.973 -1.161 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.906 -9.002 -0.506 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.196 -7.834 -2.402 1.00 0.00 N ATOM 0 H ASN A 5 -7.485 -5.404 1.344 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.030 -8.234 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.704 -6.163 -0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.607 -6.174 -1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.701 -8.599 -2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.038 -6.962 -2.908 1.00 0.00 H new ATOM 94 N LEU A 6 -6.394 -8.027 -1.407 1.00 0.00 N ATOM 95 CA LEU A 6 -5.176 -8.079 -2.206 1.00 0.00 C ATOM 96 C LEU A 6 -5.502 -8.318 -3.677 1.00 0.00 C ATOM 97 O LEU A 6 -6.100 -9.333 -4.034 1.00 0.00 O ATOM 98 CB LEU A 6 -4.249 -9.181 -1.691 1.00 0.00 C ATOM 99 CG LEU A 6 -3.693 -8.953 -0.283 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.522 -9.704 0.745 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.235 -9.379 -0.209 1.00 0.00 C ATOM 0 H LEU A 6 -7.108 -8.702 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.670 -7.118 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.792 -10.126 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.413 -9.285 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.751 -7.888 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.112 -9.530 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.552 -9.350 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.497 -10.771 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.857 -9.209 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.152 -10.438 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.649 -8.795 -0.919 1.00 0.00 H new ATOM 113 N LYS A 7 -5.103 -7.377 -4.525 1.00 0.00 N ATOM 114 CA LYS A 7 -5.352 -7.485 -5.958 1.00 0.00 C ATOM 115 C LYS A 7 -4.163 -8.122 -6.671 1.00 0.00 C ATOM 116 O LYS A 7 -3.190 -8.529 -6.034 1.00 0.00 O ATOM 117 CB LYS A 7 -5.635 -6.103 -6.554 1.00 0.00 C ATOM 118 CG LYS A 7 -6.852 -5.420 -5.950 1.00 0.00 C ATOM 119 CD LYS A 7 -8.146 -6.052 -6.440 1.00 0.00 C ATOM 120 CE LYS A 7 -8.512 -5.565 -7.832 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.199 -6.580 -8.876 1.00 0.00 N ATOM 0 H LYS A 7 -4.606 -6.531 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.224 -8.122 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.762 -5.467 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.781 -6.203 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.804 -5.483 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.842 -4.361 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.042 -7.137 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.953 -5.815 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.575 -5.326 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.971 -4.644 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.867 -6.482 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.229 -6.435 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.282 -7.534 -8.469 1.00 0.00 H new ATOM 135 N LYS A 8 -4.248 -8.207 -7.994 1.00 0.00 N ATOM 136 CA LYS A 8 -3.180 -8.795 -8.794 1.00 0.00 C ATOM 137 C LYS A 8 -1.986 -7.849 -8.886 1.00 0.00 C ATOM 138 O LYS A 8 -0.840 -8.288 -8.982 1.00 0.00 O ATOM 139 CB LYS A 8 -3.690 -9.131 -10.196 1.00 0.00 C ATOM 140 CG LYS A 8 -4.390 -10.477 -10.284 1.00 0.00 C ATOM 141 CD LYS A 8 -3.554 -11.495 -11.044 1.00 0.00 C ATOM 142 CE LYS A 8 -4.347 -12.756 -11.341 1.00 0.00 C ATOM 143 NZ LYS A 8 -3.640 -13.643 -12.306 1.00 0.00 N ATOM 0 H LYS A 8 -5.046 -7.876 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.856 -9.713 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.379 -8.351 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.850 -9.122 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.592 -10.849 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.354 -10.355 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.204 -11.055 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.669 -11.749 -10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.526 -13.299 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.322 -12.485 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.214 -14.492 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.491 -13.134 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.720 -13.923 -11.910 1.00 0.00 H new ATOM 157 N SER A 9 -2.263 -6.550 -8.858 1.00 0.00 N ATOM 158 CA SER A 9 -1.213 -5.542 -8.939 1.00 0.00 C ATOM 159 C SER A 9 -0.384 -5.512 -7.658 1.00 0.00 C ATOM 160 O SER A 9 0.836 -5.365 -7.701 1.00 0.00 O ATOM 161 CB SER A 9 -1.820 -4.162 -9.200 1.00 0.00 C ATOM 162 OG SER A 9 -1.009 -3.406 -10.081 1.00 0.00 O ATOM 0 H SER A 9 -3.206 -6.170 -8.780 1.00 0.00 H new ATOM 0 HA SER A 9 -0.556 -5.805 -9.768 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.817 -4.275 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.934 -3.627 -8.257 1.00 0.00 H new ATOM 0 HG SER A 9 -1.420 -2.529 -10.233 1.00 0.00 H new ATOM 168 N PHE A 10 -1.058 -5.654 -6.521 1.00 0.00 N ATOM 169 CA PHE A 10 -0.383 -5.642 -5.228 1.00 0.00 C ATOM 170 C PHE A 10 0.418 -6.923 -5.021 1.00 0.00 C ATOM 171 O PHE A 10 1.471 -6.912 -4.385 1.00 0.00 O ATOM 172 CB PHE A 10 -1.402 -5.477 -4.099 1.00 0.00 C ATOM 173 CG PHE A 10 -0.773 -5.237 -2.756 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.236 -3.999 -2.439 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.720 -6.248 -1.810 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.343 -3.776 -1.204 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.141 -6.031 -0.575 1.00 0.00 C ATOM 178 CZ PHE A 10 0.391 -4.792 -0.270 1.00 0.00 C ATOM 0 H PHE A 10 -2.069 -5.778 -6.469 1.00 0.00 H new ATOM 0 HA PHE A 10 0.306 -4.797 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.064 -4.644 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.023 -6.372 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.270 -3.200 -3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.136 -7.217 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.758 -2.807 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.104 -6.829 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.843 -4.619 0.696 1.00 0.00 H new ATOM 188 N GLN A 11 -0.089 -8.028 -5.561 1.00 0.00 N ATOM 189 CA GLN A 11 0.581 -9.316 -5.435 1.00 0.00 C ATOM 190 C GLN A 11 1.980 -9.265 -6.038 1.00 0.00 C ATOM 191 O GLN A 11 2.948 -9.715 -5.425 1.00 0.00 O ATOM 192 CB GLN A 11 -0.242 -10.412 -6.118 1.00 0.00 C ATOM 193 CG GLN A 11 -1.280 -11.048 -5.209 1.00 0.00 C ATOM 194 CD GLN A 11 -1.912 -12.284 -5.820 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.551 -13.411 -5.485 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.861 -12.075 -6.726 1.00 0.00 N ATOM 0 H GLN A 11 -0.961 -8.056 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 11 0.672 -9.547 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.744 -9.989 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.432 -11.187 -6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.813 -11.314 -4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.059 -10.318 -4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.129 -11.122 -6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.322 -12.867 -7.174 1.00 0.00 H new ATOM 205 N LYS A 12 2.082 -8.711 -7.242 1.00 0.00 N ATOM 206 CA LYS A 12 3.365 -8.599 -7.927 1.00 0.00 C ATOM 207 C LYS A 12 4.167 -7.405 -7.404 1.00 0.00 C ATOM 208 O LYS A 12 5.361 -7.282 -7.668 1.00 0.00 O ATOM 209 CB LYS A 12 3.151 -8.463 -9.435 1.00 0.00 C ATOM 210 CG LYS A 12 2.802 -9.774 -10.120 1.00 0.00 C ATOM 211 CD LYS A 12 1.718 -9.588 -11.169 1.00 0.00 C ATOM 212 CE LYS A 12 2.309 -9.288 -12.539 1.00 0.00 C ATOM 213 NZ LYS A 12 2.089 -7.871 -12.939 1.00 0.00 N ATOM 0 H LYS A 12 1.291 -8.333 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 12 3.933 -9.507 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.352 -7.744 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.056 -8.056 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.695 -10.189 -10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.468 -10.496 -9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.107 -10.489 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.058 -8.773 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.378 -9.501 -12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.860 -9.949 -13.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.506 -7.706 -13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.068 -7.675 -12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.539 -7.241 -12.245 1.00 0.00 H new ATOM 227 N ASP A 13 3.503 -6.531 -6.660 1.00 0.00 N ATOM 228 CA ASP A 13 4.154 -5.353 -6.096 1.00 0.00 C ATOM 229 C ASP A 13 4.715 -5.649 -4.707 1.00 0.00 C ATOM 230 O ASP A 13 5.478 -4.856 -4.153 1.00 0.00 O ATOM 231 CB ASP A 13 3.165 -4.190 -6.020 1.00 0.00 C ATOM 232 CG ASP A 13 3.174 -3.340 -7.276 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.240 -2.780 -7.606 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.114 -3.235 -7.930 1.00 0.00 O ATOM 0 H ASP A 13 2.512 -6.614 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 13 4.982 -5.079 -6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.161 -4.581 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.408 -3.566 -5.160 1.00 0.00 H new ATOM 239 N PHE A 14 4.326 -6.789 -4.146 1.00 0.00 N ATOM 240 CA PHE A 14 4.779 -7.188 -2.823 1.00 0.00 C ATOM 241 C PHE A 14 6.053 -8.019 -2.904 1.00 0.00 C ATOM 242 O PHE A 14 7.103 -7.605 -2.426 1.00 0.00 O ATOM 243 CB PHE A 14 3.681 -7.978 -2.105 1.00 0.00 C ATOM 244 CG PHE A 14 4.094 -8.506 -0.761 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.978 -7.720 0.374 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.600 -9.792 -0.633 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.356 -8.206 1.612 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.980 -10.282 0.601 1.00 0.00 C ATOM 249 CZ PHE A 14 4.858 -9.488 1.725 1.00 0.00 C ATOM 0 H PHE A 14 3.695 -7.455 -4.592 1.00 0.00 H new ATOM 0 HA PHE A 14 5.000 -6.284 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.808 -7.338 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.376 -8.814 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.588 -6.716 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.698 -10.417 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.259 -7.584 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.372 -11.285 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.155 -9.869 2.691 1.00 0.00 H new ATOM 259 N ASP A 15 5.946 -9.202 -3.497 1.00 0.00 N ATOM 260 CA ASP A 15 7.085 -10.102 -3.628 1.00 0.00 C ATOM 261 C ASP A 15 7.838 -9.883 -4.939 1.00 0.00 C ATOM 262 O ASP A 15 9.062 -10.005 -4.982 1.00 0.00 O ATOM 263 CB ASP A 15 6.625 -11.557 -3.530 1.00 0.00 C ATOM 264 CG ASP A 15 7.651 -12.445 -2.853 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.991 -12.173 -1.683 1.00 0.00 O ATOM 266 OD2 ASP A 15 8.115 -13.411 -3.494 1.00 0.00 O ATOM 0 H ASP A 15 5.079 -9.561 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 15 7.770 -9.880 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.688 -11.602 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.422 -11.939 -4.531 1.00 0.00 H new ATOM 271 N LYS A 16 7.107 -9.580 -6.009 1.00 0.00 N ATOM 272 CA LYS A 16 7.736 -9.373 -7.311 1.00 0.00 C ATOM 273 C LYS A 16 8.499 -8.054 -7.349 1.00 0.00 C ATOM 274 O LYS A 16 9.567 -7.966 -7.955 1.00 0.00 O ATOM 275 CB LYS A 16 6.694 -9.420 -8.430 1.00 0.00 C ATOM 276 CG LYS A 16 6.835 -10.627 -9.342 1.00 0.00 C ATOM 277 CD LYS A 16 5.857 -11.728 -8.966 1.00 0.00 C ATOM 278 CE LYS A 16 6.295 -13.076 -9.515 1.00 0.00 C ATOM 279 NZ LYS A 16 5.349 -14.162 -9.139 1.00 0.00 N ATOM 0 H LYS A 16 6.093 -9.473 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 16 8.449 -10.182 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.698 -9.424 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.774 -8.512 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.665 -10.325 -10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.854 -11.010 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.773 -11.786 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.867 -11.483 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.369 -13.019 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.290 -13.315 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.683 -15.065 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.297 -14.234 -8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.405 -13.947 -9.519 1.00 0.00 H new ATOM 293 N LEU A 17 7.960 -7.033 -6.690 1.00 0.00 N ATOM 294 CA LEU A 17 8.618 -5.734 -6.648 1.00 0.00 C ATOM 295 C LEU A 17 9.980 -5.865 -5.987 1.00 0.00 C ATOM 296 O LEU A 17 10.921 -5.147 -6.326 1.00 0.00 O ATOM 297 CB LEU A 17 7.768 -4.717 -5.885 1.00 0.00 C ATOM 298 CG LEU A 17 7.896 -3.272 -6.367 1.00 0.00 C ATOM 299 CD1 LEU A 17 6.903 -2.378 -5.641 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.316 -2.768 -6.168 1.00 0.00 C ATOM 0 H LEU A 17 7.077 -7.080 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 17 8.744 -5.380 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.722 -5.016 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.041 -4.757 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 17 7.668 -3.242 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.008 -1.353 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.889 -2.727 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.099 -2.412 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.389 -1.738 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.573 -2.812 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.007 -3.392 -6.735 1.00 0.00 H new ATOM 312 N LEU A 18 10.075 -6.793 -5.041 1.00 0.00 N ATOM 313 CA LEU A 18 11.326 -7.026 -4.327 1.00 0.00 C ATOM 314 C LEU A 18 12.425 -7.492 -5.279 1.00 0.00 C ATOM 315 O LEU A 18 13.612 -7.336 -4.997 1.00 0.00 O ATOM 316 CB LEU A 18 11.124 -8.059 -3.217 1.00 0.00 C ATOM 317 CG LEU A 18 10.371 -7.562 -1.978 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.456 -6.396 -2.321 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.583 -8.699 -1.342 1.00 0.00 C ATOM 0 H LEU A 18 9.304 -7.394 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 18 11.636 -6.081 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.583 -8.910 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.102 -8.425 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 18 11.106 -7.205 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.935 -6.065 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.049 -5.573 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.727 -6.713 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.054 -8.329 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.863 -9.089 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.267 -9.494 -1.045 1.00 0.00 H new ATOM 331 N LEU A 19 12.021 -8.066 -6.410 1.00 0.00 N ATOM 332 CA LEU A 19 12.973 -8.554 -7.402 1.00 0.00 C ATOM 333 C LEU A 19 13.322 -7.469 -8.424 1.00 0.00 C ATOM 334 O LEU A 19 13.881 -7.760 -9.479 1.00 0.00 O ATOM 335 CB LEU A 19 12.407 -9.781 -8.121 1.00 0.00 C ATOM 336 CG LEU A 19 12.795 -11.127 -7.507 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.606 -12.076 -7.497 1.00 0.00 C ATOM 338 CD2 LEU A 19 13.962 -11.742 -8.266 1.00 0.00 C ATOM 0 H LEU A 19 11.042 -8.204 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 19 13.886 -8.832 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.320 -9.705 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.742 -9.762 -9.158 1.00 0.00 H new ATOM 0 HG LEU A 19 13.105 -10.956 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.904 -13.027 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.798 -11.641 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.263 -12.241 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.225 -12.699 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.678 -11.896 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.820 -11.071 -8.220 1.00 0.00 H new ATOM 350 N ASN A 20 12.989 -6.219 -8.105 1.00 0.00 N ATOM 351 CA ASN A 20 13.272 -5.105 -9.002 1.00 0.00 C ATOM 352 C ASN A 20 14.026 -3.997 -8.271 1.00 0.00 C ATOM 353 O ASN A 20 13.670 -2.822 -8.367 1.00 0.00 O ATOM 354 CB ASN A 20 11.972 -4.554 -9.590 1.00 0.00 C ATOM 355 CG ASN A 20 12.135 -4.100 -11.029 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.036 -2.909 -11.330 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.386 -5.047 -11.923 1.00 0.00 N ATOM 0 H ASN A 20 12.525 -5.955 -7.236 1.00 0.00 H new ATOM 0 HA ASN A 20 13.901 -5.473 -9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.199 -5.321 -9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.629 -3.716 -8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.506 -4.802 -12.906 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.459 -6.021 -11.628 1.00 0.00 H new ATOM 364 N GLY A 21 15.069 -4.378 -7.542 1.00 0.00 N ATOM 365 CA GLY A 21 15.855 -3.407 -6.805 1.00 0.00 C ATOM 366 C GLY A 21 15.120 -2.864 -5.596 1.00 0.00 C ATOM 367 O GLY A 21 15.334 -1.720 -5.192 1.00 0.00 O ATOM 0 H GLY A 21 15.384 -5.344 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.788 -3.869 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.120 -2.582 -7.466 1.00 0.00 H new ATOM 371 N PHE A 22 14.251 -3.685 -5.019 1.00 0.00 N ATOM 372 CA PHE A 22 13.477 -3.287 -3.850 1.00 0.00 C ATOM 373 C PHE A 22 13.756 -4.219 -2.673 1.00 0.00 C ATOM 374 O PHE A 22 13.604 -5.436 -2.783 1.00 0.00 O ATOM 375 CB PHE A 22 11.983 -3.289 -4.186 1.00 0.00 C ATOM 376 CG PHE A 22 11.110 -2.783 -3.075 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.954 -3.517 -1.910 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.447 -1.573 -3.195 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.150 -3.052 -0.886 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.643 -1.103 -2.173 1.00 0.00 C ATOM 381 CZ PHE A 22 9.496 -1.842 -1.017 1.00 0.00 C ATOM 0 H PHE A 22 14.064 -4.634 -5.343 1.00 0.00 H new ATOM 0 HA PHE A 22 13.776 -2.278 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.819 -2.676 -5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.679 -4.304 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.466 -4.462 -1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.559 -0.990 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.033 -3.634 0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.131 -0.158 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.871 -1.475 -0.216 1.00 0.00 H new ATOM 391 N ASP A 23 14.168 -3.639 -1.549 1.00 0.00 N ATOM 392 CA ASP A 23 14.474 -4.418 -0.353 1.00 0.00 C ATOM 393 C ASP A 23 13.201 -4.804 0.395 1.00 0.00 C ATOM 394 O ASP A 23 12.267 -4.009 0.501 1.00 0.00 O ATOM 395 CB ASP A 23 15.398 -3.624 0.573 1.00 0.00 C ATOM 396 CG ASP A 23 15.959 -4.474 1.698 1.00 0.00 C ATOM 397 OD1 ASP A 23 16.311 -5.644 1.439 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.044 -3.969 2.837 1.00 0.00 O ATOM 0 H ASP A 23 14.298 -2.633 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 23 14.977 -5.332 -0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.220 -3.207 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.849 -2.783 0.996 1.00 0.00 H new ATOM 403 N ASP A 24 13.171 -6.029 0.911 1.00 0.00 N ATOM 404 CA ASP A 24 12.013 -6.522 1.649 1.00 0.00 C ATOM 405 C ASP A 24 12.172 -6.295 3.152 1.00 0.00 C ATOM 406 O ASP A 24 11.464 -6.902 3.957 1.00 0.00 O ATOM 407 CB ASP A 24 11.808 -8.013 1.371 1.00 0.00 C ATOM 408 CG ASP A 24 12.969 -8.858 1.862 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.010 -8.891 1.172 1.00 0.00 O ATOM 410 OD2 ASP A 24 12.836 -9.486 2.932 1.00 0.00 O ATOM 0 H ASP A 24 13.936 -6.699 0.832 1.00 0.00 H new ATOM 0 HA ASP A 24 11.140 -5.964 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.890 -8.347 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.679 -8.166 0.300 1.00 0.00 H new ATOM 415 N SER A 25 13.106 -5.427 3.530 1.00 0.00 N ATOM 416 CA SER A 25 13.352 -5.134 4.936 1.00 0.00 C ATOM 417 C SER A 25 12.491 -3.970 5.420 1.00 0.00 C ATOM 418 O SER A 25 12.076 -3.933 6.578 1.00 0.00 O ATOM 419 CB SER A 25 14.831 -4.814 5.160 1.00 0.00 C ATOM 420 OG SER A 25 15.228 -5.135 6.482 1.00 0.00 O ATOM 0 H SER A 25 13.704 -4.915 2.882 1.00 0.00 H new ATOM 0 HA SER A 25 13.083 -6.019 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.439 -5.373 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.010 -3.756 4.970 1.00 0.00 H new ATOM 0 HG SER A 25 16.178 -4.923 6.599 1.00 0.00 H new ATOM 426 N VAL A 26 12.234 -3.017 4.530 1.00 0.00 N ATOM 427 CA VAL A 26 11.430 -1.849 4.872 1.00 0.00 C ATOM 428 C VAL A 26 9.938 -2.137 4.740 1.00 0.00 C ATOM 429 O VAL A 26 9.134 -1.665 5.543 1.00 0.00 O ATOM 430 CB VAL A 26 11.788 -0.643 3.983 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.093 0.615 4.482 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.295 -0.444 3.932 1.00 0.00 C ATOM 0 H VAL A 26 12.571 -3.030 3.567 1.00 0.00 H new ATOM 0 HA VAL A 26 11.655 -1.610 5.911 1.00 0.00 H new ATOM 0 HB VAL A 26 11.438 -0.846 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.358 1.456 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.013 0.468 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.409 0.824 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.528 0.412 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.673 -0.265 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.766 -1.337 3.522 1.00 0.00 H new ATOM 442 N LEU A 27 9.573 -2.905 3.720 1.00 0.00 N ATOM 443 CA LEU A 27 8.174 -3.244 3.486 1.00 0.00 C ATOM 444 C LEU A 27 7.580 -3.989 4.680 1.00 0.00 C ATOM 445 O LEU A 27 6.413 -3.798 5.024 1.00 0.00 O ATOM 446 CB LEU A 27 8.037 -4.082 2.206 1.00 0.00 C ATOM 447 CG LEU A 27 8.010 -5.600 2.405 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.605 -6.063 2.760 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.510 -6.310 1.156 1.00 0.00 C ATOM 0 H LEU A 27 10.224 -3.304 3.044 1.00 0.00 H new ATOM 0 HA LEU A 27 7.616 -2.316 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.121 -3.785 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.866 -3.836 1.542 1.00 0.00 H new ATOM 0 HG LEU A 27 8.674 -5.854 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.602 -7.144 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.284 -5.578 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.920 -5.799 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.484 -7.388 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.872 -6.053 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.533 -5.999 0.946 1.00 0.00 H new ATOM 461 N ASN A 28 8.389 -4.838 5.308 1.00 0.00 N ATOM 462 CA ASN A 28 7.942 -5.612 6.462 1.00 0.00 C ATOM 463 C ASN A 28 7.322 -4.707 7.523 1.00 0.00 C ATOM 464 O ASN A 28 6.255 -5.002 8.059 1.00 0.00 O ATOM 465 CB ASN A 28 9.114 -6.392 7.063 1.00 0.00 C ATOM 466 CG ASN A 28 8.660 -7.621 7.825 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.503 -8.030 7.735 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.574 -8.220 8.582 1.00 0.00 N ATOM 0 H ASN A 28 9.358 -5.007 5.037 1.00 0.00 H new ATOM 0 HA ASN A 28 7.181 -6.314 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.794 -6.693 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.676 -5.740 7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.327 -9.053 9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.522 -7.847 8.628 1.00 0.00 H new ATOM 475 N GLU A 29 7.997 -3.601 7.816 1.00 0.00 N ATOM 476 CA GLU A 29 7.513 -2.649 8.808 1.00 0.00 C ATOM 477 C GLU A 29 6.203 -2.000 8.356 1.00 0.00 C ATOM 478 O GLU A 29 5.486 -1.404 9.160 1.00 0.00 O ATOM 479 CB GLU A 29 8.567 -1.568 9.061 1.00 0.00 C ATOM 480 CG GLU A 29 9.776 -2.069 9.833 1.00 0.00 C ATOM 481 CD GLU A 29 10.278 -1.059 10.848 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.637 -0.918 11.911 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.312 -0.411 10.578 1.00 0.00 O ATOM 0 H GLU A 29 8.882 -3.342 7.380 1.00 0.00 H new ATOM 0 HA GLU A 29 7.325 -3.194 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.899 -1.164 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.109 -0.747 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.517 -2.996 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.578 -2.305 9.133 1.00 0.00 H new ATOM 490 N VAL A 30 5.903 -2.113 7.065 1.00 0.00 N ATOM 491 CA VAL A 30 4.689 -1.531 6.505 1.00 0.00 C ATOM 492 C VAL A 30 3.519 -2.515 6.549 1.00 0.00 C ATOM 493 O VAL A 30 2.598 -2.370 7.352 1.00 0.00 O ATOM 494 CB VAL A 30 4.916 -1.080 5.048 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.627 -0.564 4.425 1.00 0.00 C ATOM 496 CG2 VAL A 30 6.008 -0.023 4.984 1.00 0.00 C ATOM 0 H VAL A 30 6.486 -2.603 6.387 1.00 0.00 H new ATOM 0 HA VAL A 30 4.441 -0.665 7.119 1.00 0.00 H new ATOM 0 HB VAL A 30 5.239 -1.947 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.818 -0.253 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.878 -1.356 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.261 0.287 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.156 0.285 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.714 0.840 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.937 -0.436 5.376 1.00 0.00 H new ATOM 506 N ILE A 31 3.558 -3.503 5.660 1.00 0.00 N ATOM 507 CA ILE A 31 2.504 -4.510 5.562 1.00 0.00 C ATOM 508 C ILE A 31 2.092 -5.054 6.933 1.00 0.00 C ATOM 509 O ILE A 31 0.904 -5.217 7.209 1.00 0.00 O ATOM 510 CB ILE A 31 2.945 -5.672 4.639 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.618 -5.334 3.183 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.282 -6.987 5.037 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.400 -4.155 2.647 1.00 0.00 C ATOM 0 H ILE A 31 4.317 -3.629 4.990 1.00 0.00 H new ATOM 0 HA ILE A 31 1.633 -4.018 5.129 1.00 0.00 H new ATOM 0 HB ILE A 31 4.022 -5.798 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.820 -6.206 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.552 -5.122 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.615 -7.780 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.557 -7.238 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.199 -6.884 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.118 -3.972 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.180 -3.270 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.467 -4.372 2.700 1.00 0.00 H new ATOM 525 N LEU A 32 3.070 -5.348 7.783 1.00 0.00 N ATOM 526 CA LEU A 32 2.781 -5.884 9.110 1.00 0.00 C ATOM 527 C LEU A 32 1.895 -4.934 9.918 1.00 0.00 C ATOM 528 O LEU A 32 1.256 -5.342 10.887 1.00 0.00 O ATOM 529 CB LEU A 32 4.086 -6.208 9.858 1.00 0.00 C ATOM 530 CG LEU A 32 4.603 -5.143 10.836 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.592 -3.764 10.196 1.00 0.00 C ATOM 532 CD2 LEU A 32 3.784 -5.149 12.120 1.00 0.00 C ATOM 0 H LEU A 32 4.062 -5.226 7.580 1.00 0.00 H new ATOM 0 HA LEU A 32 2.224 -6.812 8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.940 -7.136 10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.864 -6.397 9.118 1.00 0.00 H new ATOM 0 HG LEU A 32 5.635 -5.388 11.087 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.963 -3.029 10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.232 -3.767 9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.574 -3.506 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.167 -4.387 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.741 -4.936 11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.858 -6.128 12.594 1.00 0.00 H new ATOM 544 N THR A 33 1.858 -3.665 9.516 1.00 0.00 N ATOM 545 CA THR A 33 1.048 -2.668 10.209 1.00 0.00 C ATOM 546 C THR A 33 -0.395 -2.683 9.703 1.00 0.00 C ATOM 547 O THR A 33 -1.323 -2.340 10.434 1.00 0.00 O ATOM 548 CB THR A 33 1.646 -1.270 10.023 1.00 0.00 C ATOM 549 OG1 THR A 33 2.951 -1.204 10.567 1.00 0.00 O ATOM 550 CG2 THR A 33 0.827 -0.173 10.671 1.00 0.00 C ATOM 0 H THR A 33 2.378 -3.305 8.716 1.00 0.00 H new ATOM 0 HA THR A 33 1.046 -2.919 11.270 1.00 0.00 H new ATOM 0 HB THR A 33 1.656 -1.106 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.610 -1.289 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.308 0.790 10.500 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.173 -0.161 10.237 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.755 -0.357 11.743 1.00 0.00 H new ATOM 558 N LEU A 34 -0.571 -3.070 8.444 1.00 0.00 N ATOM 559 CA LEU A 34 -1.896 -3.115 7.836 1.00 0.00 C ATOM 560 C LEU A 34 -2.561 -4.474 8.038 1.00 0.00 C ATOM 561 O LEU A 34 -3.780 -4.561 8.179 1.00 0.00 O ATOM 562 CB LEU A 34 -1.797 -2.806 6.342 1.00 0.00 C ATOM 563 CG LEU A 34 -1.122 -1.477 5.999 1.00 0.00 C ATOM 564 CD1 LEU A 34 -1.065 -1.280 4.493 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.858 -0.322 6.662 1.00 0.00 C ATOM 0 H LEU A 34 0.187 -3.357 7.825 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.512 -2.362 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.247 -3.612 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.802 -2.805 5.919 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.101 -1.500 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.582 -0.329 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.496 -2.092 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.077 -1.277 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.366 0.617 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.889 -0.298 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.847 -0.457 7.744 1.00 0.00 H new ATOM 577 N ARG A 35 -1.758 -5.533 8.038 1.00 0.00 N ATOM 578 CA ARG A 35 -2.281 -6.884 8.208 1.00 0.00 C ATOM 579 C ARG A 35 -2.255 -7.324 9.671 1.00 0.00 C ATOM 580 O ARG A 35 -2.302 -8.518 9.964 1.00 0.00 O ATOM 581 CB ARG A 35 -1.479 -7.868 7.355 1.00 0.00 C ATOM 582 CG ARG A 35 -1.363 -7.445 5.901 1.00 0.00 C ATOM 583 CD ARG A 35 -1.022 -8.622 5.000 1.00 0.00 C ATOM 584 NE ARG A 35 -2.209 -9.177 4.350 1.00 0.00 N ATOM 585 CZ ARG A 35 -2.893 -10.224 4.810 1.00 0.00 C ATOM 586 NH1 ARG A 35 -2.516 -10.842 5.924 1.00 0.00 N ATOM 587 NH2 ARG A 35 -3.960 -10.656 4.152 1.00 0.00 N ATOM 0 H ARG A 35 -0.746 -5.482 7.923 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.321 -6.878 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.479 -7.973 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.951 -8.849 7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.302 -6.998 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.594 -6.678 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.309 -8.302 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.534 -9.399 5.588 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.534 -8.735 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.696 -10.516 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.047 -11.643 6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.256 -10.187 3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.485 -11.457 4.502 1.00 0.00 H new ATOM 601 N LYS A 36 -2.186 -6.363 10.587 1.00 0.00 N ATOM 602 CA LYS A 36 -2.162 -6.678 12.011 1.00 0.00 C ATOM 603 C LYS A 36 -3.466 -6.258 12.686 1.00 0.00 C ATOM 604 O LYS A 36 -4.138 -7.077 13.313 1.00 0.00 O ATOM 605 CB LYS A 36 -0.975 -5.990 12.689 1.00 0.00 C ATOM 606 CG LYS A 36 0.191 -6.924 12.965 1.00 0.00 C ATOM 607 CD LYS A 36 1.193 -6.299 13.921 1.00 0.00 C ATOM 608 CE LYS A 36 2.413 -7.187 14.111 1.00 0.00 C ATOM 609 NZ LYS A 36 2.298 -8.038 15.327 1.00 0.00 N ATOM 0 H LYS A 36 -2.146 -5.367 10.371 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.053 -7.758 12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.632 -5.170 12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.309 -5.551 13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.182 -7.858 13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.688 -7.173 12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.505 -5.327 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.716 -6.123 14.885 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.539 -7.822 13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.306 -6.566 14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.150 -8.628 15.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.203 -7.432 16.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.461 -8.649 15.245 1.00 0.00 H new ATOM 623 N LYS A 37 -3.818 -4.979 12.542 1.00 0.00 N ATOM 624 CA LYS A 37 -5.049 -4.432 13.127 1.00 0.00 C ATOM 625 C LYS A 37 -4.975 -2.912 13.252 1.00 0.00 C ATOM 626 O LYS A 37 -6.001 -2.240 13.361 1.00 0.00 O ATOM 627 CB LYS A 37 -5.323 -5.037 14.509 1.00 0.00 C ATOM 628 CG LYS A 37 -4.081 -5.156 15.379 1.00 0.00 C ATOM 629 CD LYS A 37 -4.238 -4.399 16.689 1.00 0.00 C ATOM 630 CE LYS A 37 -2.892 -4.144 17.349 1.00 0.00 C ATOM 631 NZ LYS A 37 -2.086 -3.144 16.596 1.00 0.00 N ATOM 0 H LYS A 37 -3.266 -4.297 12.022 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.864 -4.695 12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.061 -4.423 15.025 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.764 -6.026 14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.882 -6.207 15.588 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.218 -4.770 14.836 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.740 -3.449 16.504 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.874 -4.969 17.366 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.048 -3.791 18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.338 -5.080 17.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.303 -2.808 17.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.701 -3.585 15.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.690 -2.339 16.332 1.00 0.00 H new ATOM 645 N GLU A 38 -3.759 -2.369 13.242 1.00 0.00 N ATOM 646 CA GLU A 38 -3.564 -0.929 13.361 1.00 0.00 C ATOM 647 C GLU A 38 -3.721 -0.239 12.006 1.00 0.00 C ATOM 648 O GLU A 38 -2.963 -0.510 11.074 1.00 0.00 O ATOM 649 CB GLU A 38 -2.180 -0.629 13.939 1.00 0.00 C ATOM 650 CG GLU A 38 -2.107 0.692 14.688 1.00 0.00 C ATOM 651 CD GLU A 38 -0.691 1.220 14.799 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.099 1.002 13.857 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.372 1.852 15.828 1.00 0.00 O ATOM 0 H GLU A 38 -2.896 -2.905 13.153 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.327 -0.540 14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.894 -1.436 14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.451 -0.618 13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.727 1.429 14.178 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.522 0.562 15.687 1.00 0.00 H new ATOM 660 N PRO A 39 -4.708 0.668 11.876 1.00 0.00 N ATOM 661 CA PRO A 39 -4.949 1.394 10.627 1.00 0.00 C ATOM 662 C PRO A 39 -3.929 2.504 10.397 1.00 0.00 C ATOM 663 O PRO A 39 -3.023 2.705 11.206 1.00 0.00 O ATOM 664 CB PRO A 39 -6.344 1.983 10.832 1.00 0.00 C ATOM 665 CG PRO A 39 -6.452 2.177 12.306 1.00 0.00 C ATOM 666 CD PRO A 39 -5.661 1.059 12.934 1.00 0.00 C ATOM 0 HA PRO A 39 -4.866 0.748 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.460 2.926 10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.118 1.310 10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.055 3.148 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.493 2.146 12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.145 1.390 13.835 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.303 0.227 13.222 1.00 0.00 H new ATOM 674 N LEU A 40 -4.082 3.222 9.291 1.00 0.00 N ATOM 675 CA LEU A 40 -3.174 4.313 8.955 1.00 0.00 C ATOM 676 C LEU A 40 -3.777 5.659 9.346 1.00 0.00 C ATOM 677 O LEU A 40 -4.994 5.792 9.475 1.00 0.00 O ATOM 678 CB LEU A 40 -2.853 4.297 7.460 1.00 0.00 C ATOM 679 CG LEU A 40 -1.901 3.186 7.016 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.215 2.750 5.592 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.456 3.647 7.130 1.00 0.00 C ATOM 0 H LEU A 40 -4.827 3.069 8.611 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.250 4.172 9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.786 4.199 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.418 5.258 7.187 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.041 2.328 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.527 1.959 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.239 2.379 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.104 3.600 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.208 2.844 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.302 4.520 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.238 3.907 8.166 1.00 0.00 H new ATOM 693 N ASP A 41 -2.916 6.655 9.533 1.00 0.00 N ATOM 694 CA ASP A 41 -3.363 7.991 9.911 1.00 0.00 C ATOM 695 C ASP A 41 -3.485 8.895 8.686 1.00 0.00 C ATOM 696 O ASP A 41 -2.863 8.643 7.653 1.00 0.00 O ATOM 697 CB ASP A 41 -2.392 8.609 10.919 1.00 0.00 C ATOM 698 CG ASP A 41 -2.620 8.099 12.329 1.00 0.00 C ATOM 699 OD1 ASP A 41 -3.609 8.524 12.962 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.810 7.274 12.799 1.00 0.00 O ATOM 0 H ASP A 41 -1.906 6.562 9.429 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.347 7.900 10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.369 8.387 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.500 9.694 10.906 1.00 0.00 H new ATOM 705 N PRO A 42 -4.293 9.964 8.786 1.00 0.00 N ATOM 706 CA PRO A 42 -4.496 10.908 7.682 1.00 0.00 C ATOM 707 C PRO A 42 -3.309 11.847 7.480 1.00 0.00 C ATOM 708 O PRO A 42 -3.300 12.656 6.554 1.00 0.00 O ATOM 709 CB PRO A 42 -5.730 11.697 8.125 1.00 0.00 C ATOM 710 CG PRO A 42 -5.680 11.665 9.613 1.00 0.00 C ATOM 711 CD PRO A 42 -5.073 10.337 9.983 1.00 0.00 C ATOM 0 HA PRO A 42 -4.611 10.397 6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.703 12.720 7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.647 11.243 7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.081 12.489 10.000 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.678 11.769 10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.438 10.419 10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.839 9.595 10.209 1.00 0.00 H new ATOM 719 N GLN A 43 -2.307 11.736 8.348 1.00 0.00 N ATOM 720 CA GLN A 43 -1.119 12.578 8.253 1.00 0.00 C ATOM 721 C GLN A 43 -0.026 11.900 7.431 1.00 0.00 C ATOM 722 O GLN A 43 1.142 12.285 7.499 1.00 0.00 O ATOM 723 CB GLN A 43 -0.591 12.908 9.649 1.00 0.00 C ATOM 724 CG GLN A 43 -1.654 13.444 10.594 1.00 0.00 C ATOM 725 CD GLN A 43 -1.557 14.945 10.787 1.00 0.00 C ATOM 726 OE1 GLN A 43 -1.497 15.433 11.916 1.00 0.00 O ATOM 727 NE2 GLN A 43 -1.542 15.686 9.686 1.00 0.00 N ATOM 0 H GLN A 43 -2.294 11.073 9.123 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.403 13.502 7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.151 12.010 10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.208 13.644 9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.641 13.194 10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.558 12.950 11.561 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.594 15.240 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.479 16.702 9.756 1.00 0.00 H new ATOM 736 N PHE A 44 -0.406 10.890 6.651 1.00 0.00 N ATOM 737 CA PHE A 44 0.546 10.166 5.818 1.00 0.00 C ATOM 738 C PHE A 44 0.265 10.401 4.336 1.00 0.00 C ATOM 739 O PHE A 44 0.671 9.609 3.485 1.00 0.00 O ATOM 740 CB PHE A 44 0.489 8.669 6.127 1.00 0.00 C ATOM 741 CG PHE A 44 1.145 8.302 7.429 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.695 8.841 8.623 1.00 0.00 C ATOM 743 CD2 PHE A 44 2.210 7.416 7.456 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.297 8.504 9.821 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.816 7.076 8.650 1.00 0.00 C ATOM 746 CZ PHE A 44 2.357 7.621 9.835 1.00 0.00 C ATOM 0 H PHE A 44 -1.367 10.556 6.580 1.00 0.00 H new ATOM 0 HA PHE A 44 1.545 10.541 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.553 8.350 6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.972 8.120 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.135 9.532 8.618 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.570 6.986 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.938 8.932 10.745 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.647 6.386 8.658 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.828 7.356 10.770 1.00 0.00 H new ATOM 756 N GLN A 45 -0.431 11.494 4.033 1.00 0.00 N ATOM 757 CA GLN A 45 -0.764 11.830 2.652 1.00 0.00 C ATOM 758 C GLN A 45 -1.657 10.760 2.034 1.00 0.00 C ATOM 759 O GLN A 45 -1.451 10.347 0.893 1.00 0.00 O ATOM 760 CB GLN A 45 0.513 11.992 1.822 1.00 0.00 C ATOM 761 CG GLN A 45 1.490 13.001 2.404 1.00 0.00 C ATOM 762 CD GLN A 45 0.893 14.389 2.525 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.958 15.190 1.592 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.303 14.680 3.679 1.00 0.00 N ATOM 0 H GLN A 45 -0.775 12.161 4.724 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.308 12.774 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.008 11.025 1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.244 12.300 0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.813 12.662 3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.379 13.046 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.272 13.986 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.119 15.598 3.819 1.00 0.00 H new ATOM 773 N ASP A 46 -2.652 10.317 2.795 1.00 0.00 N ATOM 774 CA ASP A 46 -3.579 9.295 2.322 1.00 0.00 C ATOM 775 C ASP A 46 -4.762 9.929 1.595 1.00 0.00 C ATOM 776 O ASP A 46 -5.901 9.859 2.059 1.00 0.00 O ATOM 777 CB ASP A 46 -4.077 8.447 3.495 1.00 0.00 C ATOM 778 CG ASP A 46 -4.836 9.268 4.520 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.681 10.508 4.520 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.584 8.671 5.322 1.00 0.00 O ATOM 0 H ASP A 46 -2.837 10.649 3.741 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.048 8.653 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.723 7.654 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.227 7.964 3.977 1.00 0.00 H new ATOM 785 N HIS A 47 -4.482 10.549 0.453 1.00 0.00 N ATOM 786 CA HIS A 47 -5.521 11.196 -0.341 1.00 0.00 C ATOM 787 C HIS A 47 -5.599 10.585 -1.735 1.00 0.00 C ATOM 788 O HIS A 47 -4.828 9.687 -2.075 1.00 0.00 O ATOM 789 CB HIS A 47 -5.252 12.699 -0.443 1.00 0.00 C ATOM 790 CG HIS A 47 -5.731 13.475 0.745 1.00 0.00 C ATOM 791 ND1 HIS A 47 -6.165 12.877 1.910 1.00 0.00 N ATOM 792 CD2 HIS A 47 -5.842 14.810 0.946 1.00 0.00 C ATOM 793 CE1 HIS A 47 -6.524 13.809 2.774 1.00 0.00 C ATOM 794 NE2 HIS A 47 -6.336 14.990 2.213 1.00 0.00 N ATOM 0 H HIS A 47 -3.545 10.617 0.057 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.477 11.039 0.158 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.181 12.861 -0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.736 13.087 -1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.589 15.588 0.240 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.906 13.635 3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.527 15.891 2.651 1.00 0.00 H new ATOM 803 N ALA A 48 -6.538 11.074 -2.539 1.00 0.00 N ATOM 804 CA ALA A 48 -6.716 10.574 -3.898 1.00 0.00 C ATOM 805 C ALA A 48 -5.602 11.067 -4.814 1.00 0.00 C ATOM 806 O ALA A 48 -4.893 12.020 -4.490 1.00 0.00 O ATOM 807 CB ALA A 48 -8.074 10.994 -4.439 1.00 0.00 C ATOM 0 H ALA A 48 -7.187 11.815 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.670 9.485 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.195 10.615 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.861 10.587 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.142 12.082 -4.448 1.00 0.00 H new ATOM 813 N LEU A 49 -5.456 10.414 -5.962 1.00 0.00 N ATOM 814 CA LEU A 49 -4.428 10.786 -6.928 1.00 0.00 C ATOM 815 C LEU A 49 -5.044 11.483 -8.136 1.00 0.00 C ATOM 816 O LEU A 49 -6.265 11.617 -8.233 1.00 0.00 O ATOM 817 CB LEU A 49 -3.652 9.547 -7.379 1.00 0.00 C ATOM 818 CG LEU A 49 -2.574 9.069 -6.405 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.439 7.555 -6.458 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.242 9.737 -6.718 1.00 0.00 C ATOM 0 H LEU A 49 -6.036 9.625 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.741 11.480 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.359 8.734 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.184 9.760 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.872 9.350 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.667 7.234 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.389 7.095 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.163 7.249 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.485 9.386 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.939 9.485 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.347 10.818 -6.628 1.00 0.00 H new ATOM 832 N LYS A 50 -4.193 11.928 -9.054 1.00 0.00 N ATOM 833 CA LYS A 50 -4.653 12.612 -10.257 1.00 0.00 C ATOM 834 C LYS A 50 -4.292 11.820 -11.509 1.00 0.00 C ATOM 835 O LYS A 50 -3.365 11.011 -11.498 1.00 0.00 O ATOM 836 CB LYS A 50 -4.045 14.014 -10.334 1.00 0.00 C ATOM 837 CG LYS A 50 -4.249 14.836 -9.071 1.00 0.00 C ATOM 838 CD LYS A 50 -5.381 15.837 -9.232 1.00 0.00 C ATOM 839 CE LYS A 50 -5.901 16.310 -7.884 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.765 17.516 -8.015 1.00 0.00 N ATOM 0 H LYS A 50 -3.180 11.827 -8.988 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.739 12.694 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.977 13.927 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.484 14.546 -11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.466 14.171 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.327 15.364 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.032 16.693 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.194 15.381 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.467 15.507 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.060 16.535 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.100 17.807 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.218 18.290 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.582 17.294 -8.619 1.00 0.00 H new ATOM 854 N GLY A 51 -5.029 12.060 -12.589 1.00 0.00 N ATOM 855 CA GLY A 51 -4.771 11.362 -13.834 1.00 0.00 C ATOM 856 C GLY A 51 -5.416 9.991 -13.876 1.00 0.00 C ATOM 857 O GLY A 51 -6.544 9.813 -13.416 1.00 0.00 O ATOM 0 H GLY A 51 -5.801 12.726 -12.624 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.143 11.960 -14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.695 11.258 -13.972 1.00 0.00 H new ATOM 861 N LYS A 52 -4.698 9.020 -14.431 1.00 0.00 N ATOM 862 CA LYS A 52 -5.205 7.656 -14.533 1.00 0.00 C ATOM 863 C LYS A 52 -5.545 7.089 -13.158 1.00 0.00 C ATOM 864 O LYS A 52 -6.349 6.165 -13.040 1.00 0.00 O ATOM 865 CB LYS A 52 -4.176 6.760 -15.226 1.00 0.00 C ATOM 866 CG LYS A 52 -3.945 7.114 -16.686 1.00 0.00 C ATOM 867 CD LYS A 52 -5.229 7.009 -17.493 1.00 0.00 C ATOM 868 CE LYS A 52 -4.947 6.665 -18.946 1.00 0.00 C ATOM 869 NZ LYS A 52 -4.253 7.774 -19.655 1.00 0.00 N ATOM 0 H LYS A 52 -3.763 9.152 -14.817 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.119 7.681 -15.127 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.229 6.827 -14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.507 5.723 -15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.550 8.127 -16.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.193 6.448 -17.109 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.873 6.246 -17.056 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.771 7.953 -17.440 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.335 5.765 -18.993 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.885 6.440 -19.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.079 7.499 -20.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.848 8.627 -19.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.346 7.972 -19.186 1.00 0.00 H new ATOM 883 N TRP A 53 -4.930 7.648 -12.118 1.00 0.00 N ATOM 884 CA TRP A 53 -5.172 7.195 -10.754 1.00 0.00 C ATOM 885 C TRP A 53 -6.221 8.065 -10.069 1.00 0.00 C ATOM 886 O TRP A 53 -6.109 8.371 -8.880 1.00 0.00 O ATOM 887 CB TRP A 53 -3.871 7.210 -9.947 1.00 0.00 C ATOM 888 CG TRP A 53 -2.680 6.737 -10.722 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.428 7.280 -10.712 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.628 5.625 -11.623 1.00 0.00 C ATOM 891 NE1 TRP A 53 -0.600 6.575 -11.550 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.312 5.554 -12.122 1.00 0.00 C ATOM 893 CE3 TRP A 53 -3.563 4.682 -12.057 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.913 4.579 -13.032 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.165 3.714 -12.960 1.00 0.00 C ATOM 896 CH2 TRP A 53 -1.850 3.669 -13.438 1.00 0.00 C ATOM 0 H TRP A 53 -4.261 8.414 -12.196 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.548 6.173 -10.800 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.684 8.224 -9.593 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.993 6.582 -9.065 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.132 8.140 -10.129 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.385 6.778 -11.719 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.580 4.709 -11.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.100 4.542 -13.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.880 2.981 -13.302 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.569 2.900 -14.142 1.00 0.00 H new ATOM 907 N LYS A 54 -7.239 8.462 -10.825 1.00 0.00 N ATOM 908 CA LYS A 54 -8.308 9.299 -10.291 1.00 0.00 C ATOM 909 C LYS A 54 -9.255 8.487 -9.412 1.00 0.00 C ATOM 910 O LYS A 54 -9.525 8.863 -8.272 1.00 0.00 O ATOM 911 CB LYS A 54 -9.085 9.960 -11.433 1.00 0.00 C ATOM 912 CG LYS A 54 -9.257 11.461 -11.261 1.00 0.00 C ATOM 913 CD LYS A 54 -8.604 12.232 -12.397 1.00 0.00 C ATOM 914 CE LYS A 54 -8.109 13.593 -11.935 1.00 0.00 C ATOM 915 NZ LYS A 54 -7.679 14.447 -13.076 1.00 0.00 N ATOM 0 H LYS A 54 -7.347 8.218 -11.809 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.853 10.075 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.568 9.767 -12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.068 9.496 -11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.319 11.704 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.821 11.772 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.769 11.656 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.319 12.360 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.901 14.098 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.274 13.461 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.224 15.309 -12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.003 13.922 -13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.509 14.708 -13.647 1.00 0.00 H new ATOM 929 N PRO A 55 -9.774 7.360 -9.927 1.00 0.00 N ATOM 930 CA PRO A 55 -10.693 6.505 -9.176 1.00 0.00 C ATOM 931 C PRO A 55 -9.965 5.599 -8.186 1.00 0.00 C ATOM 932 O PRO A 55 -10.236 4.400 -8.114 1.00 0.00 O ATOM 933 CB PRO A 55 -11.360 5.676 -10.271 1.00 0.00 C ATOM 934 CG PRO A 55 -10.327 5.563 -11.337 1.00 0.00 C ATOM 935 CD PRO A 55 -9.512 6.831 -11.281 1.00 0.00 C ATOM 0 HA PRO A 55 -11.391 7.081 -8.568 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.656 4.695 -9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.262 6.162 -10.643 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.696 4.689 -11.175 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.791 5.443 -12.316 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.451 6.632 -11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.818 7.538 -12.052 1.00 0.00 H new ATOM 943 N PHE A 56 -9.043 6.179 -7.423 1.00 0.00 N ATOM 944 CA PHE A 56 -8.281 5.421 -6.437 1.00 0.00 C ATOM 945 C PHE A 56 -7.789 6.330 -5.315 1.00 0.00 C ATOM 946 O PHE A 56 -8.021 7.538 -5.336 1.00 0.00 O ATOM 947 CB PHE A 56 -7.094 4.725 -7.105 1.00 0.00 C ATOM 948 CG PHE A 56 -7.494 3.778 -8.201 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.093 2.565 -7.902 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.271 4.102 -9.529 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.463 1.692 -8.907 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.638 3.233 -10.541 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.235 2.028 -10.229 1.00 0.00 C ATOM 0 H PHE A 56 -8.806 7.170 -7.469 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.939 4.666 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.424 5.480 -7.515 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.532 4.177 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.273 2.299 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.805 5.044 -9.777 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.929 0.749 -8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.458 3.497 -11.573 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.524 1.348 -11.017 1.00 0.00 H new ATOM 963 N ARG A 57 -7.108 5.741 -4.337 1.00 0.00 N ATOM 964 CA ARG A 57 -6.585 6.500 -3.208 1.00 0.00 C ATOM 965 C ARG A 57 -5.166 6.059 -2.863 1.00 0.00 C ATOM 966 O ARG A 57 -4.876 4.865 -2.796 1.00 0.00 O ATOM 967 CB ARG A 57 -7.493 6.331 -1.989 1.00 0.00 C ATOM 968 CG ARG A 57 -7.072 7.173 -0.794 1.00 0.00 C ATOM 969 CD ARG A 57 -8.019 8.342 -0.572 1.00 0.00 C ATOM 970 NE ARG A 57 -9.050 8.030 0.414 1.00 0.00 N ATOM 971 CZ ARG A 57 -9.999 8.885 0.791 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.049 10.104 0.267 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.899 8.521 1.694 1.00 0.00 N ATOM 0 H ARG A 57 -6.906 4.742 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.559 7.552 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.513 6.595 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.504 5.281 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.046 6.550 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.061 7.548 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.451 9.211 -0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.491 8.611 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.043 7.103 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.359 10.389 -0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.778 10.755 0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.865 7.586 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.626 9.176 1.983 1.00 0.00 H new ATOM 987 N GLU A 58 -4.288 7.031 -2.640 1.00 0.00 N ATOM 988 CA GLU A 58 -2.900 6.745 -2.299 1.00 0.00 C ATOM 989 C GLU A 58 -2.681 6.844 -0.792 1.00 0.00 C ATOM 990 O GLU A 58 -3.567 7.277 -0.054 1.00 0.00 O ATOM 991 CB GLU A 58 -1.963 7.710 -3.029 1.00 0.00 C ATOM 992 CG GLU A 58 -0.725 7.042 -3.605 1.00 0.00 C ATOM 993 CD GLU A 58 0.349 8.040 -3.990 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.000 9.194 -4.313 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.542 7.667 -3.966 1.00 0.00 O ATOM 0 H GLU A 58 -4.514 8.025 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.676 5.726 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.512 8.195 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.654 8.494 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.320 6.342 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.006 6.459 -4.482 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.498 6.442 -0.342 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.166 6.487 1.077 1.00 0.00 C ATOM 1004 C CYS A 59 0.325 6.248 1.295 1.00 0.00 C ATOM 1005 O CYS A 59 0.842 5.177 0.982 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.979 5.447 1.847 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.940 5.659 3.644 1.00 0.00 S ATOM 0 H CYS A 59 -0.753 6.082 -0.939 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.415 7.480 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.015 5.489 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.604 4.454 1.601 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.054 5.227 4.156 1.00 0.00 H new ATOM 1013 N HIS A 60 1.009 7.253 1.832 1.00 0.00 N ATOM 1014 CA HIS A 60 2.440 7.151 2.090 1.00 0.00 C ATOM 1015 C HIS A 60 2.704 6.679 3.517 1.00 0.00 C ATOM 1016 O HIS A 60 3.024 7.481 4.395 1.00 0.00 O ATOM 1017 CB HIS A 60 3.120 8.501 1.854 1.00 0.00 C ATOM 1018 CG HIS A 60 2.858 9.079 0.497 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.581 10.130 -0.025 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.944 8.747 -0.448 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.123 10.422 -1.231 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.132 9.597 -1.510 1.00 0.00 N ATOM 0 H HIS A 60 0.595 8.147 2.097 1.00 0.00 H new ATOM 0 HA HIS A 60 2.856 6.417 1.400 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.779 9.207 2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.195 8.384 1.988 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.349 10.608 0.445 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.206 7.961 -0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.497 11.203 -1.877 1.00 0.00 H new ATOM 1031 N ILE A 61 2.570 5.375 3.744 1.00 0.00 N ATOM 1032 CA ILE A 61 2.798 4.799 5.065 1.00 0.00 C ATOM 1033 C ILE A 61 4.185 5.157 5.591 1.00 0.00 C ATOM 1034 O ILE A 61 4.406 5.211 6.800 1.00 0.00 O ATOM 1035 CB ILE A 61 2.648 3.265 5.043 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.289 2.867 4.460 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.817 2.691 6.444 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.388 2.135 3.140 1.00 0.00 C ATOM 0 H ILE A 61 2.304 4.697 3.029 1.00 0.00 H new ATOM 0 HA ILE A 61 2.042 5.221 5.728 1.00 0.00 H new ATOM 0 HB ILE A 61 3.430 2.852 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.766 2.235 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.684 3.764 4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.708 1.607 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.807 2.944 6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.057 3.111 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.388 1.885 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.883 2.772 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.965 1.220 3.274 1.00 0.00 H new ATOM 1050 N LYS A 62 5.115 5.397 4.673 1.00 0.00 N ATOM 1051 CA LYS A 62 6.481 5.744 5.042 1.00 0.00 C ATOM 1052 C LYS A 62 7.010 6.873 4.160 1.00 0.00 C ATOM 1053 O LYS A 62 6.411 7.199 3.136 1.00 0.00 O ATOM 1054 CB LYS A 62 7.386 4.516 4.917 1.00 0.00 C ATOM 1055 CG LYS A 62 7.505 3.714 6.203 1.00 0.00 C ATOM 1056 CD LYS A 62 8.797 2.913 6.242 1.00 0.00 C ATOM 1057 CE LYS A 62 9.832 3.568 7.142 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.587 3.272 8.581 1.00 0.00 N ATOM 0 H LYS A 62 4.947 5.357 3.668 1.00 0.00 H new ATOM 0 HA LYS A 62 6.481 6.086 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.000 3.869 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.380 4.838 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.468 4.388 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.654 3.039 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.590 1.904 6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.198 2.819 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.827 3.219 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.817 4.647 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.315 3.737 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.648 3.627 8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.626 2.244 8.736 1.00 0.00 H new ATOM 1072 N PRO A 63 8.145 7.486 4.545 1.00 0.00 N ATOM 1073 CA PRO A 63 8.746 8.582 3.775 1.00 0.00 C ATOM 1074 C PRO A 63 9.310 8.122 2.433 1.00 0.00 C ATOM 1075 O PRO A 63 9.801 8.930 1.644 1.00 0.00 O ATOM 1076 CB PRO A 63 9.867 9.088 4.684 1.00 0.00 C ATOM 1077 CG PRO A 63 10.211 7.922 5.547 1.00 0.00 C ATOM 1078 CD PRO A 63 8.928 7.166 5.754 1.00 0.00 C ATOM 0 HA PRO A 63 8.009 9.344 3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.728 9.419 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.539 9.939 5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.962 7.292 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.628 8.251 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.103 6.094 5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.415 7.485 6.661 1.00 0.00 H new ATOM 1086 N ASP A 64 9.230 6.823 2.179 1.00 0.00 N ATOM 1087 CA ASP A 64 9.722 6.250 0.933 1.00 0.00 C ATOM 1088 C ASP A 64 8.818 5.112 0.470 1.00 0.00 C ATOM 1089 O ASP A 64 9.261 4.193 -0.219 1.00 0.00 O ATOM 1090 CB ASP A 64 11.154 5.740 1.111 1.00 0.00 C ATOM 1091 CG ASP A 64 11.265 4.707 2.216 1.00 0.00 C ATOM 1092 OD1 ASP A 64 10.504 4.806 3.201 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.114 3.799 2.095 1.00 0.00 O ATOM 0 H ASP A 64 8.827 6.143 2.823 1.00 0.00 H new ATOM 0 HA ASP A 64 9.716 7.031 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.501 5.305 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.811 6.580 1.335 1.00 0.00 H new ATOM 1098 N VAL A 65 7.546 5.180 0.855 1.00 0.00 N ATOM 1099 CA VAL A 65 6.575 4.156 0.482 1.00 0.00 C ATOM 1100 C VAL A 65 5.253 4.780 0.054 1.00 0.00 C ATOM 1101 O VAL A 65 4.840 5.813 0.582 1.00 0.00 O ATOM 1102 CB VAL A 65 6.310 3.180 1.645 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.327 2.096 1.231 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.610 2.565 2.134 1.00 0.00 C ATOM 0 H VAL A 65 7.164 5.934 1.426 1.00 0.00 H new ATOM 0 HA VAL A 65 7.005 3.607 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 65 5.866 3.744 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.157 1.420 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.383 2.554 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.736 1.536 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.402 1.879 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.085 2.020 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.278 3.354 2.481 1.00 0.00 H new ATOM 1114 N LEU A 66 4.588 4.136 -0.899 1.00 0.00 N ATOM 1115 CA LEU A 66 3.303 4.614 -1.396 1.00 0.00 C ATOM 1116 C LEU A 66 2.389 3.440 -1.731 1.00 0.00 C ATOM 1117 O LEU A 66 2.551 2.788 -2.762 1.00 0.00 O ATOM 1118 CB LEU A 66 3.496 5.495 -2.633 1.00 0.00 C ATOM 1119 CG LEU A 66 4.747 6.375 -2.620 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.987 6.977 -3.995 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.618 7.470 -1.571 1.00 0.00 C ATOM 0 H LEU A 66 4.919 3.280 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 66 2.837 5.210 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.532 4.854 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.622 6.137 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 66 5.604 5.753 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.881 7.600 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.124 6.178 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.129 7.585 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.517 8.086 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.751 8.091 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.493 7.018 -0.587 1.00 0.00 H new ATOM 1133 N LEU A 67 1.434 3.173 -0.848 1.00 0.00 N ATOM 1134 CA LEU A 67 0.498 2.073 -1.044 1.00 0.00 C ATOM 1135 C LEU A 67 -0.858 2.583 -1.524 1.00 0.00 C ATOM 1136 O LEU A 67 -1.421 3.517 -0.954 1.00 0.00 O ATOM 1137 CB LEU A 67 0.334 1.289 0.263 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.765 0.222 0.266 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.787 -0.546 -1.048 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.571 -0.732 1.436 1.00 0.00 C ATOM 0 H LEU A 67 1.288 3.703 0.011 1.00 0.00 H new ATOM 0 HA LEU A 67 0.902 1.413 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.283 0.807 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.129 1.997 1.066 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.726 0.725 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.577 -1.297 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.974 0.145 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.174 -1.037 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.359 -1.485 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.399 -1.221 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.614 -0.174 2.371 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.377 1.957 -2.575 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.667 2.340 -3.134 1.00 0.00 C ATOM 1154 C VAL A 68 -3.745 1.332 -2.751 1.00 0.00 C ATOM 1155 O VAL A 68 -3.514 0.124 -2.775 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.604 2.449 -4.671 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.935 2.926 -5.232 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.477 3.377 -5.092 1.00 0.00 C ATOM 0 H VAL A 68 -0.923 1.181 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.918 3.317 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.402 1.458 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.868 2.996 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.719 2.218 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.173 3.906 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.447 3.443 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.647 4.369 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.528 2.986 -4.726 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.922 1.836 -2.397 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.035 0.977 -2.009 1.00 0.00 C ATOM 1170 C TYR A 69 -7.368 1.693 -2.189 1.00 0.00 C ATOM 1171 O TYR A 69 -7.417 2.920 -2.282 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.874 0.528 -0.554 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.891 1.670 0.436 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.089 2.152 0.950 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.709 2.262 0.860 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.109 3.194 1.857 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.721 3.307 1.767 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.922 3.768 2.261 1.00 0.00 C ATOM 1179 OH TYR A 69 -5.936 4.805 3.166 1.00 0.00 O ATOM 0 H TYR A 69 -5.130 2.834 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.028 0.101 -2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.675 -0.169 -0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.935 -0.017 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.020 1.704 0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.766 1.902 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.048 3.557 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.794 3.759 2.086 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.017 5.095 3.346 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.448 0.920 -2.237 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.784 1.480 -2.406 1.00 0.00 C ATOM 1191 C LEU A 70 -10.594 1.350 -1.120 1.00 0.00 C ATOM 1192 O LEU A 70 -10.085 0.887 -0.098 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.511 0.780 -3.557 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.283 1.709 -4.496 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.336 2.387 -5.473 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.359 0.936 -5.244 1.00 0.00 C ATOM 0 H LEU A 70 -8.424 -0.097 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.681 2.539 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.780 0.222 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.206 0.052 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.767 2.480 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.903 3.044 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.602 2.973 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.823 1.631 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.898 1.612 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.896 0.144 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.055 0.497 -4.529 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.858 1.759 -1.177 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.737 1.688 -0.017 1.00 0.00 C ATOM 1210 C VAL A 71 -14.033 0.958 -0.353 1.00 0.00 C ATOM 1211 O VAL A 71 -14.913 1.507 -1.015 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.078 3.091 0.519 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.825 2.994 1.840 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.814 3.924 0.672 1.00 0.00 C ATOM 0 H VAL A 71 -12.295 2.143 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.198 1.134 0.752 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.729 3.587 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.056 3.996 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.751 2.438 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.204 2.479 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.073 4.912 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.137 3.433 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.325 4.024 -0.297 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.144 -0.283 0.110 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.333 -1.090 -0.139 1.00 0.00 C ATOM 1226 C LYS A 72 -16.359 -0.903 0.973 1.00 0.00 C ATOM 1227 O LYS A 72 -16.082 -0.260 1.985 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.955 -2.568 -0.259 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.652 -3.284 -1.402 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.472 -4.792 -1.310 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.776 -5.528 -1.569 1.00 0.00 C ATOM 1232 NZ LYS A 72 -16.937 -6.706 -0.671 1.00 0.00 N ATOM 0 H LYS A 72 -13.424 -0.752 0.660 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.778 -0.759 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.877 -2.648 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.197 -3.073 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.715 -3.042 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.255 -2.927 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.722 -5.114 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.096 -5.054 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.613 -4.845 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.807 -5.856 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.943 -6.965 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.394 -7.508 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.587 -6.469 0.279 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.547 -1.470 0.780 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.613 -1.366 1.770 1.00 0.00 C ATOM 1248 C ASP A 73 -18.163 -1.926 3.115 1.00 0.00 C ATOM 1249 O ASP A 73 -18.113 -3.142 3.308 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.860 -2.107 1.287 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.229 -1.750 -0.139 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.377 -0.545 -0.431 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -20.370 -2.676 -0.966 1.00 0.00 O ATOM 0 H ASP A 73 -17.795 -2.005 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.853 -0.311 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.691 -3.181 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.696 -1.872 1.945 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.833 -1.033 4.041 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.384 -1.435 5.369 1.00 0.00 C ATOM 1260 C ASP A 74 -16.146 -2.325 5.281 1.00 0.00 C ATOM 1261 O ASP A 74 -15.875 -3.120 6.180 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.502 -2.170 6.109 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.635 -1.246 6.510 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -19.950 -0.320 5.732 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.209 -1.448 7.600 1.00 0.00 O ATOM 0 H ASP A 74 -17.868 -0.024 3.896 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.123 -0.534 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.893 -2.965 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.092 -2.646 7.000 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.397 -2.186 4.190 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.189 -2.976 3.984 1.00 0.00 C ATOM 1272 C GLU A 75 -13.186 -2.217 3.122 1.00 0.00 C ATOM 1273 O GLU A 75 -13.543 -1.255 2.439 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.535 -4.313 3.324 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.409 -5.210 4.186 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.832 -6.475 3.465 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.923 -6.449 2.220 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.074 -7.493 4.147 1.00 0.00 O ATOM 0 H GLU A 75 -15.607 -1.533 3.435 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.737 -3.165 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.045 -4.121 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.611 -4.841 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.867 -5.477 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.296 -4.658 4.496 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.931 -2.653 3.156 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.878 -2.012 2.378 1.00 0.00 C ATOM 1287 C LEU A 76 -10.194 -3.018 1.459 1.00 0.00 C ATOM 1288 O LEU A 76 -10.075 -4.198 1.790 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.846 -1.367 3.305 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.078 -0.192 2.699 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.959 1.047 2.635 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.816 0.089 3.501 1.00 0.00 C ATOM 0 H LEU A 76 -11.619 -3.448 3.714 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.336 -1.237 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.354 -1.023 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.130 -2.129 3.613 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.788 -0.458 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.395 1.873 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.833 0.840 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.281 1.317 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.281 0.928 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.085 0.334 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.176 -0.794 3.494 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.745 -2.544 0.300 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.075 -3.405 -0.667 1.00 0.00 C ATOM 1306 C ILE A 77 -7.781 -2.769 -1.167 1.00 0.00 C ATOM 1307 O ILE A 77 -7.772 -1.616 -1.602 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.987 -3.715 -1.872 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.264 -2.444 -2.679 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.290 -4.341 -1.397 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.297 -2.232 -3.823 1.00 0.00 C ATOM 0 H ILE A 77 -9.833 -1.570 0.009 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.841 -4.337 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.475 -4.426 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.279 -2.489 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.220 -1.583 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.925 -4.555 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.076 -5.267 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.804 -3.649 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.553 -1.313 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.282 -2.155 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.358 -3.075 -4.512 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.692 -3.528 -1.109 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.395 -3.037 -1.562 1.00 0.00 C ATOM 1325 C LEU A 78 -5.343 -2.979 -3.085 1.00 0.00 C ATOM 1326 O LEU A 78 -6.073 -3.699 -3.769 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.273 -3.931 -1.034 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.111 -3.937 0.487 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.921 -4.793 0.893 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.954 -2.518 1.011 1.00 0.00 C ATOM 0 H LEU A 78 -6.681 -4.484 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.257 -2.029 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.455 -4.952 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.333 -3.611 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.010 -4.368 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.821 -4.786 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.075 -5.816 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.013 -4.392 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.840 -2.541 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.072 -2.060 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.837 -1.934 0.751 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.480 -2.118 -3.612 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.336 -1.966 -5.055 1.00 0.00 C ATOM 1344 C LEU A 79 -2.930 -2.354 -5.507 1.00 0.00 C ATOM 1345 O LEU A 79 -2.744 -3.356 -6.195 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.645 -0.525 -5.470 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.841 -0.366 -6.411 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -7.142 -0.342 -5.623 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.696 0.899 -7.242 1.00 0.00 C ATOM 0 H LEU A 79 -3.869 -1.514 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.047 -2.635 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.828 0.065 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.763 -0.105 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.866 -1.222 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.981 -0.228 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.250 -1.275 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.129 0.495 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.554 0.998 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.646 1.765 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.783 0.842 -7.835 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.946 -1.550 -5.117 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.559 -1.814 -5.484 1.00 0.00 C ATOM 1363 C ARG A 80 0.404 -1.087 -4.550 1.00 0.00 C ATOM 1364 O ARG A 80 0.002 -0.206 -3.790 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.303 -1.386 -6.931 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.501 0.103 -7.172 1.00 0.00 C ATOM 1367 CD ARG A 80 0.825 0.842 -7.240 1.00 0.00 C ATOM 1368 NE ARG A 80 0.998 1.540 -8.513 1.00 0.00 N ATOM 1369 CZ ARG A 80 2.173 1.962 -8.974 1.00 0.00 C ATOM 1370 NH1 ARG A 80 3.281 1.758 -8.272 1.00 0.00 N ATOM 1371 NH2 ARG A 80 2.240 2.589 -10.140 1.00 0.00 N ATOM 0 H ARG A 80 -2.082 -0.714 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.385 -2.886 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.716 -1.657 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.970 -1.943 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.049 0.251 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.111 0.523 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.882 1.560 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.642 0.134 -7.101 1.00 0.00 H new ATOM 0 HE ARG A 80 0.169 1.714 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.235 1.276 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.179 2.084 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.391 2.748 -10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.140 2.913 -10.494 1.00 0.00 H new ATOM 1385 N LEU A 81 1.676 -1.465 -4.614 1.00 0.00 N ATOM 1386 CA LEU A 81 2.702 -0.855 -3.777 1.00 0.00 C ATOM 1387 C LEU A 81 3.800 -0.231 -4.633 1.00 0.00 C ATOM 1388 O LEU A 81 4.234 -0.818 -5.624 1.00 0.00 O ATOM 1389 CB LEU A 81 3.304 -1.899 -2.834 1.00 0.00 C ATOM 1390 CG LEU A 81 4.096 -1.332 -1.654 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.390 -0.694 -2.136 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.256 -0.323 -0.883 1.00 0.00 C ATOM 0 H LEU A 81 2.022 -2.193 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 81 2.236 -0.067 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.498 -2.521 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.960 -2.551 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 81 4.348 -2.153 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.940 -0.296 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.999 -1.443 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.160 0.116 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.835 0.070 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.972 0.496 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.358 -0.811 -0.504 1.00 0.00 H new ATOM 1404 N GLY A 82 4.245 0.958 -4.244 1.00 0.00 N ATOM 1405 CA GLY A 82 5.288 1.638 -4.989 1.00 0.00 C ATOM 1406 C GLY A 82 6.074 2.613 -4.135 1.00 0.00 C ATOM 1407 O GLY A 82 6.004 2.568 -2.906 1.00 0.00 O ATOM 0 H GLY A 82 3.903 1.463 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.969 0.899 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.841 2.173 -5.827 1.00 0.00 H new ATOM 1411 N SER A 83 6.823 3.496 -4.787 1.00 0.00 N ATOM 1412 CA SER A 83 7.626 4.487 -4.080 1.00 0.00 C ATOM 1413 C SER A 83 7.624 5.818 -4.823 1.00 0.00 C ATOM 1414 O SER A 83 7.049 5.937 -5.905 1.00 0.00 O ATOM 1415 CB SER A 83 9.062 3.984 -3.913 1.00 0.00 C ATOM 1416 OG SER A 83 9.473 3.227 -5.039 1.00 0.00 O ATOM 0 H SER A 83 6.891 3.546 -5.804 1.00 0.00 H new ATOM 0 HA SER A 83 7.185 4.641 -3.095 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.734 4.832 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.134 3.372 -3.014 1.00 0.00 H new ATOM 0 HG SER A 83 10.394 2.919 -4.908 1.00 0.00 H new ATOM 1422 N HIS A 84 8.270 6.821 -4.234 1.00 0.00 N ATOM 1423 CA HIS A 84 8.342 8.146 -4.838 1.00 0.00 C ATOM 1424 C HIS A 84 9.004 8.087 -6.211 1.00 0.00 C ATOM 1425 O HIS A 84 8.735 8.919 -7.076 1.00 0.00 O ATOM 1426 CB HIS A 84 9.114 9.102 -3.928 1.00 0.00 C ATOM 1427 CG HIS A 84 8.733 10.539 -4.110 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.104 11.283 -5.210 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.007 11.370 -3.323 1.00 0.00 C ATOM 1430 CE1 HIS A 84 8.625 12.510 -5.092 1.00 0.00 C ATOM 1431 NE2 HIS A 84 7.956 12.587 -3.956 1.00 0.00 N ATOM 0 H HIS A 84 8.751 6.740 -3.338 1.00 0.00 H new ATOM 0 HA HIS A 84 7.324 8.515 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.945 8.818 -2.889 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.181 8.990 -4.119 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.553 11.121 -2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.758 13.312 -5.803 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.478 13.417 -3.605 1.00 0.00 H new ATOM 1440 N SER A 85 9.872 7.098 -6.403 1.00 0.00 N ATOM 1441 CA SER A 85 10.574 6.934 -7.672 1.00 0.00 C ATOM 1442 C SER A 85 9.675 6.277 -8.716 1.00 0.00 C ATOM 1443 O SER A 85 9.829 6.510 -9.915 1.00 0.00 O ATOM 1444 CB SER A 85 11.837 6.094 -7.472 1.00 0.00 C ATOM 1445 OG SER A 85 12.954 6.915 -7.179 1.00 0.00 O ATOM 0 H SER A 85 10.106 6.399 -5.698 1.00 0.00 H new ATOM 0 HA SER A 85 10.853 7.924 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.681 5.384 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.036 5.511 -8.371 1.00 0.00 H new ATOM 0 HG SER A 85 13.748 6.355 -7.054 1.00 0.00 H new ATOM 1451 N GLU A 86 8.737 5.457 -8.253 1.00 0.00 N ATOM 1452 CA GLU A 86 7.816 4.768 -9.151 1.00 0.00 C ATOM 1453 C GLU A 86 6.629 5.659 -9.507 1.00 0.00 C ATOM 1454 O GLU A 86 6.530 6.159 -10.628 1.00 0.00 O ATOM 1455 CB GLU A 86 7.323 3.468 -8.510 1.00 0.00 C ATOM 1456 CG GLU A 86 7.454 2.255 -9.415 1.00 0.00 C ATOM 1457 CD GLU A 86 7.677 0.971 -8.641 1.00 0.00 C ATOM 1458 OE1 GLU A 86 8.650 0.910 -7.860 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.877 0.027 -8.814 1.00 0.00 O ATOM 0 H GLU A 86 8.594 5.253 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 86 8.353 4.531 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.885 3.289 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.278 3.587 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.552 2.158 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.285 2.408 -10.104 1.00 0.00 H new ATOM 1466 N LEU A 87 5.730 5.852 -8.546 1.00 0.00 N ATOM 1467 CA LEU A 87 4.550 6.682 -8.760 1.00 0.00 C ATOM 1468 C LEU A 87 4.944 8.115 -9.104 1.00 0.00 C ATOM 1469 O LEU A 87 4.330 8.748 -9.961 1.00 0.00 O ATOM 1470 CB LEU A 87 3.660 6.667 -7.516 1.00 0.00 C ATOM 1471 CG LEU A 87 2.940 5.344 -7.252 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.883 4.342 -6.604 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.715 5.572 -6.379 1.00 0.00 C ATOM 0 H LEU A 87 5.796 5.445 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 87 3.994 6.269 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.272 6.910 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.914 7.456 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 87 2.610 4.933 -8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.353 3.407 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.729 4.158 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.244 4.742 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.214 4.621 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.022 6.005 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.030 6.254 -6.884 1.00 0.00 H new ATOM 1485 N PHE A 88 5.972 8.619 -8.427 1.00 0.00 N ATOM 1486 CA PHE A 88 6.446 9.978 -8.662 1.00 0.00 C ATOM 1487 C PHE A 88 7.773 9.969 -9.412 1.00 0.00 C ATOM 1488 O PHE A 88 8.290 11.067 -9.712 1.00 0.00 O ATOM 1489 CB PHE A 88 6.601 10.722 -7.335 1.00 0.00 C ATOM 1490 CG PHE A 88 5.365 11.463 -6.914 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.268 10.780 -6.415 1.00 0.00 C ATOM 1492 CD2 PHE A 88 5.299 12.844 -7.018 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.128 11.460 -6.027 1.00 0.00 C ATOM 1494 CE2 PHE A 88 4.163 13.528 -6.631 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.076 12.836 -6.135 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.287 8.865 -9.693 1.00 0.00 O ATOM 0 H PHE A 88 6.491 8.108 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 88 5.707 10.494 -9.275 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.869 10.008 -6.557 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.427 11.428 -7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.303 9.704 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.145 13.391 -7.406 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.279 10.916 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.125 14.604 -6.716 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.187 13.369 -5.832 1.00 0.00 H new