USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 861 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 101 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= -0.401 K(o=-0.4,f=-2.5!) USER MOD Set 2.1: A 29 GLN :FLIP amide:sc= 0.0281 F(o=-0.46,f=0.31) USER MOD Set 2.2: A 30 ASN :FLIP amide:sc= 0.0219 F(o=-0.46,f=0.31) USER MOD Set 2.3: A 34 SER OG : rot 108:sc= 0.255 USER MOD Set 3.1: A 25 HIS : no HE2:sc= -6.36! C(o=-9.2!,f=-16!) USER MOD Set 3.2: A 39 MET CE :methyl -112:sc= -2.86 (180deg=0) USER MOD Set 3.3: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 23 TYR OH : rot 83:sc= 0.289 USER MOD Set 4.2: A 46 HIS :FLIP no HE2:sc= -1.58 F(o=-2.8!,f=-1.3) USER MOD Single : A 9 LYS NZ :NH3+ -117:sc= -0.145 (180deg=-1.55!) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.405 F(o=-1.1,f=-0.41) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 70:sc= 0.642 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 42:sc= -3.85! USER MOD Single : A 47 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 57 GLN : amide:sc= -3.1! C(o=-3.1!,f=-8.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 62 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.5!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -3.69 X(o=-3.7,f=-3.3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -137:sc= 2.12 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HE2:sc= -1.38 F(o=-2.3!,f=-1.4) USER MOD Single : A 80 CYS SG : rot -136:sc= -1.37 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 86 THR OG1 : rot -89:sc= 0.184 USER MOD Single : A 89 MET CE :methyl -168:sc= -0.438 (180deg=-1.02) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.473 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.654 K(o=-0.65,f=-4.3!) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= 0.077 (180deg=0.0126) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.082 -9.329 2.230 1.00 0.00 N ATOM 67 CA ILE A 8 -11.591 -8.144 1.538 1.00 0.00 C ATOM 68 C ILE A 8 -10.099 -8.257 1.244 1.00 0.00 C ATOM 69 O ILE A 8 -9.639 -7.894 0.161 1.00 0.00 O ATOM 70 CB ILE A 8 -11.846 -6.866 2.359 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.348 -6.650 2.555 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.217 -5.662 1.674 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.682 -5.776 3.743 1.00 0.00 C ATOM 0 HA ILE A 8 -12.140 -8.078 0.598 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.384 -6.984 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.763 -6.198 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.833 -7.618 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.406 -4.767 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.142 -5.816 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.652 -5.539 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.764 -5.666 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.297 -6.237 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.226 -4.795 3.612 1.00 0.00 H new ATOM 85 N LYS A 9 -9.348 -8.766 2.214 1.00 0.00 N ATOM 86 CA LYS A 9 -7.907 -8.932 2.060 1.00 0.00 C ATOM 87 C LYS A 9 -7.567 -9.474 0.676 1.00 0.00 C ATOM 88 O LYS A 9 -6.475 -9.239 0.159 1.00 0.00 O ATOM 89 CB LYS A 9 -7.363 -9.874 3.137 1.00 0.00 C ATOM 90 CG LYS A 9 -5.864 -10.098 3.047 1.00 0.00 C ATOM 91 CD LYS A 9 -5.393 -11.129 4.059 1.00 0.00 C ATOM 92 CE LYS A 9 -5.187 -10.508 5.433 1.00 0.00 C ATOM 93 NZ LYS A 9 -6.450 -10.472 6.220 1.00 0.00 N ATOM 0 H LYS A 9 -9.713 -9.071 3.116 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.440 -7.954 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.603 -9.467 4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.871 -10.835 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.604 -10.429 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.343 -9.156 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.125 -11.933 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.460 -11.576 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.435 -11.077 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.801 -9.495 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.711 -9.484 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.210 -10.931 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.313 -10.976 7.119 1.00 0.00 H new ATOM 107 N GLN A 10 -8.509 -10.199 0.081 1.00 0.00 N ATOM 108 CA GLN A 10 -8.307 -10.774 -1.244 1.00 0.00 C ATOM 109 C GLN A 10 -8.391 -9.698 -2.322 1.00 0.00 C ATOM 110 O GLN A 10 -7.443 -9.488 -3.077 1.00 0.00 O ATOM 111 CB GLN A 10 -9.346 -11.864 -1.513 1.00 0.00 C ATOM 112 CG GLN A 10 -8.907 -12.877 -2.558 1.00 0.00 C ATOM 113 CD GLN A 10 -7.770 -13.757 -2.077 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.544 -13.264 -2.204 1.00 0.00 O flip ATOM 115 NE2 GLN A 10 -7.991 -14.869 -1.596 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.419 -10.402 0.495 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.311 -11.216 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.562 -12.386 -0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.275 -11.396 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.756 -13.504 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.597 -12.351 -3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.949 -15.209 -1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.216 -15.450 -1.277 1.00 0.00 H new ATOM 124 N MET A 11 -9.533 -9.021 -2.387 1.00 0.00 N ATOM 125 CA MET A 11 -9.740 -7.966 -3.373 1.00 0.00 C ATOM 126 C MET A 11 -8.647 -6.907 -3.273 1.00 0.00 C ATOM 127 O MET A 11 -8.377 -6.186 -4.235 1.00 0.00 O ATOM 128 CB MET A 11 -11.113 -7.320 -3.180 1.00 0.00 C ATOM 129 CG MET A 11 -11.171 -6.357 -2.005 1.00 0.00 C ATOM 130 SD MET A 11 -12.640 -5.312 -2.035 1.00 0.00 S ATOM 131 CE MET A 11 -12.022 -3.885 -2.922 1.00 0.00 C ATOM 0 H MET A 11 -10.328 -9.184 -1.769 1.00 0.00 H new ATOM 0 HA MET A 11 -9.695 -8.416 -4.365 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.386 -6.786 -4.090 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.857 -8.103 -3.035 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.152 -6.924 -1.074 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.282 -5.727 -2.012 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.817 -3.146 -3.022 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.188 -3.448 -2.373 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.684 -4.190 -3.912 1.00 0.00 H new ATOM 141 N LEU A 12 -8.022 -6.817 -2.104 1.00 0.00 N ATOM 142 CA LEU A 12 -6.958 -5.844 -1.879 1.00 0.00 C ATOM 143 C LEU A 12 -5.676 -6.264 -2.591 1.00 0.00 C ATOM 144 O LEU A 12 -5.078 -5.481 -3.330 1.00 0.00 O ATOM 145 CB LEU A 12 -6.694 -5.687 -0.380 1.00 0.00 C ATOM 146 CG LEU A 12 -7.840 -5.102 0.445 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.508 -5.149 1.929 1.00 0.00 C ATOM 148 CD2 LEU A 12 -8.138 -3.675 0.009 1.00 0.00 C ATOM 0 H LEU A 12 -8.233 -7.405 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.282 -4.887 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.441 -6.665 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.818 -5.051 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.731 -5.707 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.335 -4.728 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.346 -6.183 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.605 -4.569 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.957 -3.275 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.250 -3.058 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.421 -3.668 -1.044 1.00 0.00 H new ATOM 160 N LEU A 13 -5.260 -7.506 -2.366 1.00 0.00 N ATOM 161 CA LEU A 13 -4.050 -8.032 -2.989 1.00 0.00 C ATOM 162 C LEU A 13 -4.156 -7.986 -4.510 1.00 0.00 C ATOM 163 O LEU A 13 -3.272 -7.462 -5.188 1.00 0.00 O ATOM 164 CB LEU A 13 -3.798 -9.468 -2.527 1.00 0.00 C ATOM 165 CG LEU A 13 -2.356 -9.965 -2.635 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.498 -9.357 -1.537 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.309 -11.485 -2.571 1.00 0.00 C ATOM 0 H LEU A 13 -5.742 -8.167 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.212 -7.406 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.114 -9.555 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.435 -10.133 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.955 -9.649 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.475 -9.722 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.505 -8.271 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.898 -9.641 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.275 -11.821 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.729 -11.822 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.889 -11.902 -3.394 1.00 0.00 H new ATOM 179 N ASP A 14 -5.243 -8.535 -5.039 1.00 0.00 N ATOM 180 CA ASP A 14 -5.466 -8.554 -6.480 1.00 0.00 C ATOM 181 C ASP A 14 -5.454 -7.139 -7.050 1.00 0.00 C ATOM 182 O ASP A 14 -4.973 -6.912 -8.160 1.00 0.00 O ATOM 183 CB ASP A 14 -6.797 -9.236 -6.802 1.00 0.00 C ATOM 184 CG ASP A 14 -7.013 -9.408 -8.293 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.454 -8.605 -9.070 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.741 -10.345 -8.682 1.00 0.00 O ATOM 0 H ASP A 14 -5.984 -8.973 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.656 -9.119 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.828 -10.212 -6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.614 -8.647 -6.385 1.00 0.00 H new ATOM 191 N TRP A 15 -5.987 -6.194 -6.285 1.00 0.00 N ATOM 192 CA TRP A 15 -6.038 -4.801 -6.714 1.00 0.00 C ATOM 193 C TRP A 15 -4.641 -4.189 -6.745 1.00 0.00 C ATOM 194 O TRP A 15 -4.177 -3.731 -7.790 1.00 0.00 O ATOM 195 CB TRP A 15 -6.943 -3.992 -5.784 1.00 0.00 C ATOM 196 CG TRP A 15 -6.863 -2.513 -6.017 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.523 -1.797 -6.974 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.077 -1.571 -5.280 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.195 -0.467 -6.877 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.310 -0.301 -5.844 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.201 -1.675 -4.196 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.697 0.852 -5.361 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.593 -0.530 -3.718 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.844 0.720 -4.300 1.00 0.00 C ATOM 0 H TRP A 15 -6.390 -6.367 -5.364 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.449 -4.773 -7.723 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.974 -4.319 -5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.673 -4.205 -4.750 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.203 -2.215 -7.701 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.552 0.277 -7.477 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.003 -2.634 -3.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.888 1.816 -5.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.913 -0.599 -2.882 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.354 1.597 -3.903 1.00 0.00 H new ATOM 215 N CYS A 16 -3.977 -4.185 -5.595 1.00 0.00 N ATOM 216 CA CYS A 16 -2.633 -3.628 -5.490 1.00 0.00 C ATOM 217 C CYS A 16 -1.797 -3.993 -6.712 1.00 0.00 C ATOM 218 O CYS A 16 -1.091 -3.151 -7.268 1.00 0.00 O ATOM 219 CB CYS A 16 -1.947 -4.131 -4.219 1.00 0.00 C ATOM 220 SG CYS A 16 -2.759 -3.614 -2.688 1.00 0.00 S ATOM 0 H CYS A 16 -4.347 -4.561 -4.722 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.719 -2.542 -5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.907 -5.220 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.917 -3.775 -4.210 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.894 -4.236 -2.568 1.00 0.00 H new ATOM 226 N ARG A 17 -1.880 -5.253 -7.125 1.00 0.00 N ATOM 227 CA ARG A 17 -1.129 -5.731 -8.280 1.00 0.00 C ATOM 228 C ARG A 17 -1.500 -4.943 -9.533 1.00 0.00 C ATOM 229 O ARG A 17 -0.629 -4.521 -10.293 1.00 0.00 O ATOM 230 CB ARG A 17 -1.390 -7.221 -8.505 1.00 0.00 C ATOM 231 CG ARG A 17 -0.785 -8.114 -7.434 1.00 0.00 C ATOM 232 CD ARG A 17 -1.569 -9.408 -7.280 1.00 0.00 C ATOM 233 NE ARG A 17 -1.183 -10.403 -8.277 1.00 0.00 N ATOM 234 CZ ARG A 17 0.007 -10.994 -8.304 1.00 0.00 C ATOM 235 NH1 ARG A 17 0.922 -10.691 -7.394 1.00 0.00 N ATOM 236 NH2 ARG A 17 0.283 -11.890 -9.243 1.00 0.00 N ATOM 0 H ARG A 17 -2.460 -5.962 -6.677 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.068 -5.582 -8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.466 -7.391 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.988 -7.509 -9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.249 -8.342 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.767 -7.582 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.407 -9.814 -6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.635 -9.199 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.864 -10.658 -8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.714 -10.003 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.835 -11.146 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.418 -12.126 -9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.197 -12.343 -9.263 1.00 0.00 H new ATOM 250 N ALA A 18 -2.798 -4.750 -9.741 1.00 0.00 N ATOM 251 CA ALA A 18 -3.284 -4.013 -10.901 1.00 0.00 C ATOM 252 C ALA A 18 -2.727 -2.593 -10.922 1.00 0.00 C ATOM 253 O ALA A 18 -2.565 -1.994 -11.985 1.00 0.00 O ATOM 254 CB ALA A 18 -4.805 -3.985 -10.909 1.00 0.00 C ATOM 0 H ALA A 18 -3.532 -5.094 -9.122 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.936 -4.525 -11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.154 -3.431 -11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.187 -5.005 -10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.165 -3.499 -10.002 1.00 0.00 H new ATOM 260 N LYS A 19 -2.436 -2.060 -9.740 1.00 0.00 N ATOM 261 CA LYS A 19 -1.897 -0.710 -9.622 1.00 0.00 C ATOM 262 C LYS A 19 -0.383 -0.743 -9.441 1.00 0.00 C ATOM 263 O LYS A 19 0.286 0.287 -9.523 1.00 0.00 O ATOM 264 CB LYS A 19 -2.546 0.019 -8.443 1.00 0.00 C ATOM 265 CG LYS A 19 -4.063 0.045 -8.505 1.00 0.00 C ATOM 266 CD LYS A 19 -4.560 0.926 -9.639 1.00 0.00 C ATOM 267 CE LYS A 19 -5.900 0.444 -10.174 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.665 1.544 -10.825 1.00 0.00 N ATOM 0 H LYS A 19 -2.564 -2.542 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.124 -0.173 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.237 -0.462 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.174 1.043 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.440 -0.969 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.461 0.410 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.656 1.953 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.826 0.932 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.737 -0.359 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.488 0.026 -9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.572 1.175 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.843 2.300 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.115 1.926 -11.621 1.00 0.00 H new ATOM 282 N THR A 20 0.153 -1.935 -9.195 1.00 0.00 N ATOM 283 CA THR A 20 1.588 -2.102 -9.003 1.00 0.00 C ATOM 284 C THR A 20 2.166 -3.091 -10.010 1.00 0.00 C ATOM 285 O THR A 20 3.256 -3.629 -9.811 1.00 0.00 O ATOM 286 CB THR A 20 1.912 -2.590 -7.578 1.00 0.00 C ATOM 287 OG1 THR A 20 1.145 -1.850 -6.622 1.00 0.00 O ATOM 288 CG2 THR A 20 3.395 -2.434 -7.277 1.00 0.00 C ATOM 0 H THR A 20 -0.385 -2.798 -9.124 1.00 0.00 H new ATOM 0 HA THR A 20 2.043 -1.123 -9.156 1.00 0.00 H new ATOM 0 HB THR A 20 1.654 -3.647 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.250 -2.242 -6.547 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.600 -2.785 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.975 -3.021 -7.989 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.675 -1.384 -7.360 1.00 0.00 H new ATOM 296 N ARG A 21 1.429 -3.327 -11.090 1.00 0.00 N ATOM 297 CA ARG A 21 1.869 -4.252 -12.128 1.00 0.00 C ATOM 298 C ARG A 21 2.881 -3.587 -13.056 1.00 0.00 C ATOM 299 O ARG A 21 2.791 -2.392 -13.336 1.00 0.00 O ATOM 300 CB ARG A 21 0.670 -4.752 -12.936 1.00 0.00 C ATOM 301 CG ARG A 21 -0.353 -3.670 -13.240 1.00 0.00 C ATOM 302 CD ARG A 21 -1.164 -4.004 -14.483 1.00 0.00 C ATOM 303 NE ARG A 21 -1.868 -2.836 -15.006 1.00 0.00 N ATOM 304 CZ ARG A 21 -2.959 -2.913 -15.760 1.00 0.00 C ATOM 305 NH1 ARG A 21 -3.469 -4.095 -16.076 1.00 0.00 N ATOM 306 NH2 ARG A 21 -3.543 -1.805 -16.198 1.00 0.00 N ATOM 0 H ARG A 21 0.525 -2.891 -11.269 1.00 0.00 H new ATOM 0 HA ARG A 21 2.351 -5.101 -11.643 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.027 -5.177 -13.874 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.182 -5.557 -12.386 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.023 -3.551 -12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.155 -2.716 -13.381 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.502 -4.403 -15.252 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.885 -4.786 -14.246 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.502 -1.911 -14.780 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.024 -4.949 -15.740 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.307 -4.151 -16.655 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.154 -0.894 -15.956 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.381 -1.865 -16.777 1.00 0.00 H new ATOM 320 N GLY A 22 3.845 -4.370 -13.531 1.00 0.00 N ATOM 321 CA GLY A 22 4.860 -3.840 -14.423 1.00 0.00 C ATOM 322 C GLY A 22 6.117 -3.423 -13.686 1.00 0.00 C ATOM 323 O GLY A 22 7.229 -3.692 -14.141 1.00 0.00 O ATOM 0 H GLY A 22 3.941 -5.362 -13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.113 -4.593 -15.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.456 -2.982 -14.960 1.00 0.00 H new ATOM 327 N TYR A 23 5.942 -2.763 -12.547 1.00 0.00 N ATOM 328 CA TYR A 23 7.072 -2.304 -11.748 1.00 0.00 C ATOM 329 C TYR A 23 8.155 -3.376 -11.669 1.00 0.00 C ATOM 330 O TYR A 23 7.875 -4.535 -11.365 1.00 0.00 O ATOM 331 CB TYR A 23 6.609 -1.928 -10.339 1.00 0.00 C ATOM 332 CG TYR A 23 5.920 -0.583 -10.267 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.546 -0.474 -10.443 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.644 0.578 -10.024 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.913 0.752 -10.379 1.00 0.00 C ATOM 336 CE2 TYR A 23 6.019 1.808 -9.957 1.00 0.00 C ATOM 337 CZ TYR A 23 4.653 1.890 -10.136 1.00 0.00 C ATOM 338 OH TYR A 23 4.027 3.113 -10.071 1.00 0.00 O ATOM 0 H TYR A 23 5.028 -2.534 -12.156 1.00 0.00 H new ATOM 0 HA TYR A 23 7.492 -1.423 -12.233 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.928 -2.696 -9.972 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.471 -1.922 -9.672 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.963 -1.363 -10.633 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.713 0.518 -9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.844 0.819 -10.519 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.596 2.701 -9.766 1.00 0.00 H new ATOM 0 HH TYR A 23 3.649 3.240 -9.176 1.00 0.00 H new ATOM 348 N GLU A 24 9.393 -2.979 -11.946 1.00 0.00 N ATOM 349 CA GLU A 24 10.519 -3.905 -11.907 1.00 0.00 C ATOM 350 C GLU A 24 10.845 -4.304 -10.471 1.00 0.00 C ATOM 351 O GLU A 24 10.533 -3.578 -9.526 1.00 0.00 O ATOM 352 CB GLU A 24 11.748 -3.276 -12.565 1.00 0.00 C ATOM 353 CG GLU A 24 12.875 -4.263 -12.817 1.00 0.00 C ATOM 354 CD GLU A 24 12.538 -5.270 -13.899 1.00 0.00 C ATOM 355 OE1 GLU A 24 12.804 -4.980 -15.084 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.007 -6.349 -13.560 1.00 0.00 O ATOM 0 H GLU A 24 9.642 -2.023 -12.200 1.00 0.00 H new ATOM 0 HA GLU A 24 10.239 -4.801 -12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.452 -2.826 -13.512 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.117 -2.470 -11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.774 -3.717 -13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.103 -4.792 -11.892 1.00 0.00 H new ATOM 363 N HIS A 25 11.475 -5.464 -10.314 1.00 0.00 N ATOM 364 CA HIS A 25 11.845 -5.961 -8.993 1.00 0.00 C ATOM 365 C HIS A 25 10.695 -5.786 -8.006 1.00 0.00 C ATOM 366 O HIS A 25 10.914 -5.628 -6.805 1.00 0.00 O ATOM 367 CB HIS A 25 13.088 -5.234 -8.481 1.00 0.00 C ATOM 368 CG HIS A 25 12.926 -3.746 -8.411 1.00 0.00 C ATOM 369 ND1 HIS A 25 12.058 -3.124 -7.538 1.00 0.00 N ATOM 370 CD2 HIS A 25 13.527 -2.756 -9.111 1.00 0.00 C ATOM 371 CE1 HIS A 25 12.132 -1.816 -7.705 1.00 0.00 C ATOM 372 NE2 HIS A 25 13.017 -1.566 -8.654 1.00 0.00 N ATOM 0 H HIS A 25 11.740 -6.077 -11.085 1.00 0.00 H new ATOM 0 HA HIS A 25 12.067 -7.025 -9.081 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.337 -5.611 -7.489 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.930 -5.469 -9.132 1.00 0.00 H new ATOM 0 HD1 HIS A 25 11.454 -3.600 -6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.270 -2.879 -9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.565 -1.076 -7.159 1.00 0.00 H new ATOM 381 N VAL A 26 9.470 -5.814 -8.520 1.00 0.00 N ATOM 382 CA VAL A 26 8.286 -5.659 -7.684 1.00 0.00 C ATOM 383 C VAL A 26 7.295 -6.794 -7.917 1.00 0.00 C ATOM 384 O VAL A 26 7.024 -7.171 -9.058 1.00 0.00 O ATOM 385 CB VAL A 26 7.582 -4.315 -7.951 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.215 -4.286 -7.285 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.444 -3.158 -7.469 1.00 0.00 C ATOM 0 H VAL A 26 9.271 -5.943 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 26 8.625 -5.684 -6.648 1.00 0.00 H new ATOM 0 HB VAL A 26 7.437 -4.208 -9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.733 -3.329 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.599 -5.092 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.332 -4.416 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.932 -2.216 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.622 -3.258 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.397 -3.170 -7.998 1.00 0.00 H new ATOM 397 N ASP A 27 6.757 -7.335 -6.830 1.00 0.00 N ATOM 398 CA ASP A 27 5.794 -8.427 -6.915 1.00 0.00 C ATOM 399 C ASP A 27 5.046 -8.597 -5.597 1.00 0.00 C ATOM 400 O ASP A 27 5.602 -9.094 -4.617 1.00 0.00 O ATOM 401 CB ASP A 27 6.502 -9.731 -7.286 1.00 0.00 C ATOM 402 CG ASP A 27 6.727 -9.864 -8.779 1.00 0.00 C ATOM 403 OD1 ASP A 27 5.735 -9.806 -9.536 1.00 0.00 O ATOM 404 OD2 ASP A 27 7.895 -10.027 -9.192 1.00 0.00 O ATOM 0 H ASP A 27 6.971 -7.035 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 27 5.071 -8.181 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.462 -9.779 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.909 -10.575 -6.934 1.00 0.00 H new ATOM 409 N ILE A 28 3.785 -8.180 -5.580 1.00 0.00 N ATOM 410 CA ILE A 28 2.962 -8.286 -4.382 1.00 0.00 C ATOM 411 C ILE A 28 2.320 -9.665 -4.276 1.00 0.00 C ATOM 412 O ILE A 28 1.314 -9.943 -4.929 1.00 0.00 O ATOM 413 CB ILE A 28 1.855 -7.214 -4.363 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.462 -5.821 -4.541 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.065 -7.292 -3.065 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.428 -4.722 -4.654 1.00 0.00 C ATOM 0 H ILE A 28 3.311 -7.766 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 28 3.623 -8.129 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 28 1.173 -7.401 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.116 -5.608 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.085 -5.816 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.287 -6.529 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.607 -8.277 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.735 -7.126 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.929 -3.762 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.788 -4.911 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.820 -4.700 -3.749 1.00 0.00 H new ATOM 428 N GLN A 29 2.907 -10.523 -3.449 1.00 0.00 N ATOM 429 CA GLN A 29 2.391 -11.873 -3.257 1.00 0.00 C ATOM 430 C GLN A 29 1.643 -11.987 -1.933 1.00 0.00 C ATOM 431 O GLN A 29 0.696 -12.762 -1.809 1.00 0.00 O ATOM 432 CB GLN A 29 3.534 -12.889 -3.299 1.00 0.00 C ATOM 433 CG GLN A 29 3.069 -14.332 -3.191 1.00 0.00 C ATOM 434 CD GLN A 29 4.221 -15.307 -3.045 1.00 0.00 C ATOM 435 OE1 GLN A 29 4.943 -15.209 -1.934 1.00 0.00 O flip ATOM 436 NE2 GLN A 29 4.461 -16.139 -3.920 1.00 0.00 N flip ATOM 0 H GLN A 29 3.740 -10.308 -2.901 1.00 0.00 H new ATOM 0 HA GLN A 29 1.694 -12.087 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.087 -12.763 -4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.227 -12.677 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.403 -14.432 -2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.489 -14.590 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.881 -16.180 -4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.240 -16.788 -3.807 1.00 0.00 H new ATOM 445 N ASN A 30 2.076 -11.210 -0.945 1.00 0.00 N ATOM 446 CA ASN A 30 1.447 -11.224 0.370 1.00 0.00 C ATOM 447 C ASN A 30 1.962 -10.075 1.232 1.00 0.00 C ATOM 448 O ASN A 30 3.083 -9.602 1.049 1.00 0.00 O ATOM 449 CB ASN A 30 1.711 -12.559 1.070 1.00 0.00 C ATOM 450 CG ASN A 30 3.035 -13.174 0.662 1.00 0.00 C ATOM 451 OD1 ASN A 30 4.076 -12.350 0.600 1.00 0.00 O flip ATOM 452 ND2 ASN A 30 3.122 -14.375 0.405 1.00 0.00 N flip ATOM 0 H ASN A 30 2.860 -10.563 -1.031 1.00 0.00 H new ATOM 0 HA ASN A 30 0.373 -11.099 0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.701 -12.408 2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.904 -13.254 0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.296 -14.971 0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.020 -14.774 0.131 1.00 0.00 H new ATOM 459 N PHE A 31 1.134 -9.631 2.172 1.00 0.00 N ATOM 460 CA PHE A 31 1.505 -8.537 3.062 1.00 0.00 C ATOM 461 C PHE A 31 2.306 -9.053 4.254 1.00 0.00 C ATOM 462 O PHE A 31 1.981 -8.765 5.406 1.00 0.00 O ATOM 463 CB PHE A 31 0.254 -7.804 3.553 1.00 0.00 C ATOM 464 CG PHE A 31 -0.820 -7.688 2.510 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.807 -6.648 1.595 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.844 -8.619 2.445 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.794 -6.538 0.634 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.834 -8.515 1.486 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.809 -7.473 0.580 1.00 0.00 C ATOM 0 H PHE A 31 0.202 -10.012 2.337 1.00 0.00 H new ATOM 0 HA PHE A 31 2.129 -7.841 2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.148 -8.328 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.535 -6.805 3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.016 -5.914 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.869 -9.435 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.772 -5.722 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.626 -9.248 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.582 -7.389 -0.170 1.00 0.00 H new ATOM 479 N SER A 32 3.354 -9.819 3.968 1.00 0.00 N ATOM 480 CA SER A 32 4.200 -10.380 5.015 1.00 0.00 C ATOM 481 C SER A 32 5.586 -9.743 4.993 1.00 0.00 C ATOM 482 O SER A 32 5.945 -8.981 5.890 1.00 0.00 O ATOM 483 CB SER A 32 4.320 -11.896 4.846 1.00 0.00 C ATOM 484 OG SER A 32 4.779 -12.507 6.039 1.00 0.00 O ATOM 0 H SER A 32 3.638 -10.065 3.020 1.00 0.00 H new ATOM 0 HA SER A 32 3.736 -10.165 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.351 -12.312 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.007 -12.121 4.031 1.00 0.00 H new ATOM 0 HG SER A 32 4.846 -13.476 5.906 1.00 0.00 H new ATOM 490 N SER A 33 6.360 -10.062 3.961 1.00 0.00 N ATOM 491 CA SER A 33 7.709 -9.525 3.823 1.00 0.00 C ATOM 492 C SER A 33 7.889 -8.852 2.465 1.00 0.00 C ATOM 493 O SER A 33 8.679 -7.919 2.322 1.00 0.00 O ATOM 494 CB SER A 33 8.744 -10.638 3.995 1.00 0.00 C ATOM 495 OG SER A 33 10.051 -10.167 3.714 1.00 0.00 O ATOM 0 H SER A 33 6.077 -10.689 3.208 1.00 0.00 H new ATOM 0 HA SER A 33 7.858 -8.777 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.704 -11.022 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.503 -11.469 3.332 1.00 0.00 H new ATOM 0 HG SER A 33 10.694 -10.897 3.833 1.00 0.00 H new ATOM 501 N SER A 34 7.151 -9.335 1.470 1.00 0.00 N ATOM 502 CA SER A 34 7.231 -8.784 0.122 1.00 0.00 C ATOM 503 C SER A 34 7.280 -7.260 0.160 1.00 0.00 C ATOM 504 O SER A 34 7.795 -6.621 -0.758 1.00 0.00 O ATOM 505 CB SER A 34 6.036 -9.247 -0.713 1.00 0.00 C ATOM 506 OG SER A 34 6.112 -10.635 -0.986 1.00 0.00 O ATOM 0 H SER A 34 6.491 -10.106 1.572 1.00 0.00 H new ATOM 0 HA SER A 34 8.149 -9.148 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.110 -9.028 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.005 -8.690 -1.650 1.00 0.00 H new ATOM 0 HG SER A 34 5.433 -11.109 -0.462 1.00 0.00 H new ATOM 512 N TRP A 35 6.740 -6.684 1.228 1.00 0.00 N ATOM 513 CA TRP A 35 6.721 -5.234 1.386 1.00 0.00 C ATOM 514 C TRP A 35 7.952 -4.753 2.148 1.00 0.00 C ATOM 515 O TRP A 35 8.452 -3.655 1.907 1.00 0.00 O ATOM 516 CB TRP A 35 5.451 -4.797 2.118 1.00 0.00 C ATOM 517 CG TRP A 35 4.191 -5.188 1.406 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.669 -6.444 1.296 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.297 -4.316 0.705 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.504 -6.407 0.568 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.254 -5.113 0.195 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.276 -2.940 0.461 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.203 -4.578 -0.545 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.232 -2.411 -0.274 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.207 -3.228 -0.770 1.00 0.00 C ATOM 0 H TRP A 35 6.310 -7.198 1.997 1.00 0.00 H new ATOM 0 HA TRP A 35 6.733 -4.785 0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.447 -5.235 3.116 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.467 -3.715 2.245 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.107 -7.336 1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.920 -7.212 0.342 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.061 -2.302 0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.412 -5.206 -0.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.206 -1.349 -0.470 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.405 -2.784 -1.341 1.00 0.00 H new ATOM 536 N SER A 36 8.435 -5.583 3.067 1.00 0.00 N ATOM 537 CA SER A 36 9.606 -5.240 3.866 1.00 0.00 C ATOM 538 C SER A 36 10.681 -4.587 3.002 1.00 0.00 C ATOM 539 O SER A 36 11.476 -3.780 3.486 1.00 0.00 O ATOM 540 CB SER A 36 10.171 -6.490 4.543 1.00 0.00 C ATOM 541 OG SER A 36 11.112 -6.146 5.545 1.00 0.00 O ATOM 0 H SER A 36 8.034 -6.497 3.277 1.00 0.00 H new ATOM 0 HA SER A 36 9.297 -4.528 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.359 -7.067 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.646 -7.128 3.798 1.00 0.00 H new ATOM 0 HG SER A 36 11.457 -6.962 5.964 1.00 0.00 H new ATOM 547 N ASP A 37 10.698 -4.941 1.722 1.00 0.00 N ATOM 548 CA ASP A 37 11.674 -4.389 0.789 1.00 0.00 C ATOM 549 C ASP A 37 11.601 -2.865 0.765 1.00 0.00 C ATOM 550 O ASP A 37 12.603 -2.182 0.975 1.00 0.00 O ATOM 551 CB ASP A 37 11.439 -4.945 -0.616 1.00 0.00 C ATOM 552 CG ASP A 37 12.088 -6.300 -0.819 1.00 0.00 C ATOM 553 OD1 ASP A 37 12.106 -7.099 0.142 1.00 0.00 O ATOM 554 OD2 ASP A 37 12.576 -6.562 -1.937 1.00 0.00 O ATOM 0 H ASP A 37 10.047 -5.608 1.306 1.00 0.00 H new ATOM 0 HA ASP A 37 12.668 -4.682 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.367 -5.028 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.832 -4.243 -1.352 1.00 0.00 H new ATOM 559 N GLY A 38 10.408 -2.338 0.507 1.00 0.00 N ATOM 560 CA GLY A 38 10.227 -0.899 0.459 1.00 0.00 C ATOM 561 C GLY A 38 9.760 -0.418 -0.900 1.00 0.00 C ATOM 562 O GLY A 38 8.634 0.058 -1.044 1.00 0.00 O ATOM 0 H GLY A 38 9.564 -2.882 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.500 -0.602 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.168 -0.409 0.711 1.00 0.00 H new ATOM 566 N MET A 39 10.627 -0.542 -1.900 1.00 0.00 N ATOM 567 CA MET A 39 10.296 -0.116 -3.255 1.00 0.00 C ATOM 568 C MET A 39 8.821 -0.358 -3.556 1.00 0.00 C ATOM 569 O MET A 39 8.157 0.478 -4.169 1.00 0.00 O ATOM 570 CB MET A 39 11.165 -0.857 -4.272 1.00 0.00 C ATOM 571 CG MET A 39 12.517 -0.204 -4.508 1.00 0.00 C ATOM 572 SD MET A 39 12.428 1.180 -5.660 1.00 0.00 S ATOM 573 CE MET A 39 13.678 0.708 -6.853 1.00 0.00 C ATOM 0 H MET A 39 11.563 -0.934 -1.798 1.00 0.00 H new ATOM 0 HA MET A 39 10.493 0.953 -3.331 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.320 -1.880 -3.928 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.630 -0.917 -5.220 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.918 0.145 -3.557 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.213 -0.949 -4.894 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.520 1.397 -6.789 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.021 -0.305 -6.640 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.255 0.744 -7.857 1.00 0.00 H new ATOM 583 N ALA A 40 8.313 -1.507 -3.121 1.00 0.00 N ATOM 584 CA ALA A 40 6.916 -1.858 -3.343 1.00 0.00 C ATOM 585 C ALA A 40 5.992 -0.716 -2.935 1.00 0.00 C ATOM 586 O ALA A 40 5.318 -0.119 -3.774 1.00 0.00 O ATOM 587 CB ALA A 40 6.563 -3.125 -2.580 1.00 0.00 C ATOM 0 H ALA A 40 8.849 -2.211 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 40 6.777 -2.039 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.517 -3.375 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.195 -3.944 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.724 -2.965 -1.514 1.00 0.00 H new ATOM 593 N PHE A 41 5.964 -0.418 -1.640 1.00 0.00 N ATOM 594 CA PHE A 41 5.120 0.651 -1.120 1.00 0.00 C ATOM 595 C PHE A 41 5.214 1.895 -1.999 1.00 0.00 C ATOM 596 O PHE A 41 4.210 2.554 -2.269 1.00 0.00 O ATOM 597 CB PHE A 41 5.524 0.996 0.315 1.00 0.00 C ATOM 598 CG PHE A 41 4.813 0.174 1.352 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.444 0.294 1.530 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.513 -0.717 2.149 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.786 -0.461 2.483 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.861 -1.475 3.103 1.00 0.00 C ATOM 603 CZ PHE A 41 3.496 -1.346 3.271 1.00 0.00 C ATOM 0 H PHE A 41 6.516 -0.902 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 41 4.088 0.300 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.599 0.855 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.321 2.051 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.885 0.985 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.581 -0.820 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.718 -0.359 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.418 -2.168 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.985 -1.936 4.017 1.00 0.00 H new ATOM 613 N CYS A 42 6.426 2.208 -2.442 1.00 0.00 N ATOM 614 CA CYS A 42 6.653 3.373 -3.290 1.00 0.00 C ATOM 615 C CYS A 42 5.933 3.222 -4.626 1.00 0.00 C ATOM 616 O CYS A 42 5.301 4.160 -5.111 1.00 0.00 O ATOM 617 CB CYS A 42 8.151 3.576 -3.524 1.00 0.00 C ATOM 618 SG CYS A 42 9.028 4.291 -2.115 1.00 0.00 S ATOM 0 H CYS A 42 7.267 1.672 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 42 6.251 4.247 -2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.603 2.615 -3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.288 4.223 -4.390 1.00 0.00 H new ATOM 0 HG CYS A 42 8.604 3.741 -1.016 1.00 0.00 H new ATOM 624 N ALA A 43 6.034 2.035 -5.215 1.00 0.00 N ATOM 625 CA ALA A 43 5.392 1.761 -6.495 1.00 0.00 C ATOM 626 C ALA A 43 3.878 1.918 -6.394 1.00 0.00 C ATOM 627 O ALA A 43 3.252 2.552 -7.245 1.00 0.00 O ATOM 628 CB ALA A 43 5.748 0.362 -6.975 1.00 0.00 C ATOM 0 H ALA A 43 6.554 1.248 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 43 5.759 2.487 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.262 0.171 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.828 0.282 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.409 -0.371 -6.243 1.00 0.00 H new ATOM 634 N LEU A 44 3.295 1.337 -5.352 1.00 0.00 N ATOM 635 CA LEU A 44 1.854 1.412 -5.140 1.00 0.00 C ATOM 636 C LEU A 44 1.383 2.863 -5.112 1.00 0.00 C ATOM 637 O LEU A 44 0.324 3.193 -5.646 1.00 0.00 O ATOM 638 CB LEU A 44 1.473 0.715 -3.833 1.00 0.00 C ATOM 639 CG LEU A 44 -0.007 0.764 -3.453 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.780 -0.329 -4.176 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.175 0.631 -1.946 1.00 0.00 C ATOM 0 H LEU A 44 3.798 0.808 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 44 1.363 0.905 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.776 -0.330 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.050 1.163 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.410 1.729 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.832 -0.279 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.687 -0.189 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.376 -1.303 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.235 0.668 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.244 -0.320 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.345 1.449 -1.448 1.00 0.00 H new ATOM 653 N VAL A 45 2.178 3.726 -4.488 1.00 0.00 N ATOM 654 CA VAL A 45 1.844 5.142 -4.393 1.00 0.00 C ATOM 655 C VAL A 45 2.146 5.867 -5.700 1.00 0.00 C ATOM 656 O VAL A 45 1.245 6.392 -6.354 1.00 0.00 O ATOM 657 CB VAL A 45 2.617 5.825 -3.249 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.279 7.307 -3.187 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.315 5.145 -1.922 1.00 0.00 C ATOM 0 H VAL A 45 3.058 3.469 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 45 0.775 5.202 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 45 3.685 5.728 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.834 7.773 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.550 7.782 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.210 7.429 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.869 5.640 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.247 5.209 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.612 4.098 -1.974 1.00 0.00 H new ATOM 669 N HIS A 46 3.421 5.891 -6.075 1.00 0.00 N ATOM 670 CA HIS A 46 3.844 6.551 -7.306 1.00 0.00 C ATOM 671 C HIS A 46 2.786 6.397 -8.395 1.00 0.00 C ATOM 672 O HIS A 46 2.462 7.353 -9.098 1.00 0.00 O ATOM 673 CB HIS A 46 5.175 5.974 -7.787 1.00 0.00 C ATOM 674 CG HIS A 46 5.711 6.647 -9.014 1.00 0.00 C ATOM 675 ND1 HIS A 46 6.205 7.894 -9.195 1.00 0.00 N flip ATOM 676 CD2 HIS A 46 5.778 6.027 -10.244 1.00 0.00 C flip ATOM 677 CE1 HIS A 46 6.559 8.004 -10.517 1.00 0.00 C flip ATOM 678 NE2 HIS A 46 6.291 6.864 -11.128 1.00 0.00 N flip ATOM 0 H HIS A 46 4.179 5.461 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 46 3.972 7.613 -7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.909 6.059 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.048 4.911 -7.992 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.297 8.617 -8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.461 5.016 -10.452 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.987 8.880 -10.982 1.00 0.00 H new ATOM 687 N ASN A 47 2.252 5.187 -8.528 1.00 0.00 N ATOM 688 CA ASN A 47 1.232 4.909 -9.532 1.00 0.00 C ATOM 689 C ASN A 47 0.117 5.949 -9.478 1.00 0.00 C ATOM 690 O ASN A 47 -0.283 6.500 -10.504 1.00 0.00 O ATOM 691 CB ASN A 47 0.650 3.509 -9.324 1.00 0.00 C ATOM 692 CG ASN A 47 -0.135 3.024 -10.527 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.440 2.682 -11.561 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.456 2.992 -10.398 1.00 0.00 N ATOM 0 H ASN A 47 2.509 4.384 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 47 1.702 4.958 -10.514 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.460 2.809 -9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.001 3.515 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.037 2.675 -11.174 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.890 3.285 -9.523 1.00 0.00 H new ATOM 701 N PHE A 48 -0.381 6.212 -8.274 1.00 0.00 N ATOM 702 CA PHE A 48 -1.451 7.185 -8.086 1.00 0.00 C ATOM 703 C PHE A 48 -0.961 8.598 -8.391 1.00 0.00 C ATOM 704 O PHE A 48 -1.531 9.297 -9.229 1.00 0.00 O ATOM 705 CB PHE A 48 -1.984 7.117 -6.653 1.00 0.00 C ATOM 706 CG PHE A 48 -2.051 5.721 -6.104 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.524 4.678 -6.884 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.641 5.451 -4.809 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.587 3.392 -6.381 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.701 4.167 -4.300 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.174 3.136 -5.088 1.00 0.00 C ATOM 0 H PHE A 48 -0.061 5.765 -7.415 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.256 6.941 -8.779 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.347 7.722 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.980 7.559 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.847 4.872 -7.896 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.270 6.254 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.959 2.588 -6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.379 3.971 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.221 2.132 -4.694 1.00 0.00 H new ATOM 721 N PHE A 49 0.100 9.011 -7.705 1.00 0.00 N ATOM 722 CA PHE A 49 0.667 10.340 -7.901 1.00 0.00 C ATOM 723 C PHE A 49 2.136 10.251 -8.303 1.00 0.00 C ATOM 724 O PHE A 49 3.039 10.307 -7.467 1.00 0.00 O ATOM 725 CB PHE A 49 0.525 11.171 -6.624 1.00 0.00 C ATOM 726 CG PHE A 49 -0.829 11.060 -5.984 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.126 10.003 -5.139 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.805 12.013 -6.227 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.371 9.898 -4.548 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.052 11.914 -5.639 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.336 10.854 -4.799 1.00 0.00 C ATOM 0 H PHE A 49 0.584 8.444 -7.009 1.00 0.00 H new ATOM 0 HA PHE A 49 0.118 10.827 -8.706 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.283 10.855 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.723 12.217 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.376 9.252 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.589 12.843 -6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.589 9.069 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.804 12.664 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.310 10.773 -4.340 1.00 0.00 H new ATOM 741 N PRO A 50 2.383 10.109 -9.613 1.00 0.00 N ATOM 742 CA PRO A 50 3.741 10.009 -10.157 1.00 0.00 C ATOM 743 C PRO A 50 4.504 11.325 -10.056 1.00 0.00 C ATOM 744 O PRO A 50 5.730 11.336 -9.957 1.00 0.00 O ATOM 745 CB PRO A 50 3.509 9.636 -11.623 1.00 0.00 C ATOM 746 CG PRO A 50 2.149 10.158 -11.937 1.00 0.00 C ATOM 747 CD PRO A 50 1.355 10.035 -10.666 1.00 0.00 C ATOM 0 HA PRO A 50 4.347 9.287 -9.610 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.264 10.084 -12.269 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.563 8.557 -11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.196 11.195 -12.269 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.688 9.586 -12.742 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.623 10.837 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.805 9.095 -10.625 1.00 0.00 H new ATOM 755 N GLU A 51 3.770 12.433 -10.082 1.00 0.00 N ATOM 756 CA GLU A 51 4.379 13.755 -9.994 1.00 0.00 C ATOM 757 C GLU A 51 4.670 14.124 -8.542 1.00 0.00 C ATOM 758 O GLU A 51 5.388 15.085 -8.267 1.00 0.00 O ATOM 759 CB GLU A 51 3.464 14.806 -10.625 1.00 0.00 C ATOM 760 CG GLU A 51 2.060 14.820 -10.043 1.00 0.00 C ATOM 761 CD GLU A 51 1.370 16.158 -10.217 1.00 0.00 C ATOM 762 OE1 GLU A 51 2.069 17.192 -10.212 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.129 16.171 -10.357 1.00 0.00 O ATOM 0 H GLU A 51 2.753 12.441 -10.163 1.00 0.00 H new ATOM 0 HA GLU A 51 5.322 13.730 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.912 15.791 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.402 14.624 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.464 14.043 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.108 14.576 -8.982 1.00 0.00 H new ATOM 770 N ALA A 52 4.107 13.353 -7.617 1.00 0.00 N ATOM 771 CA ALA A 52 4.306 13.598 -6.194 1.00 0.00 C ATOM 772 C ALA A 52 5.754 13.339 -5.791 1.00 0.00 C ATOM 773 O ALA A 52 6.303 14.031 -4.932 1.00 0.00 O ATOM 774 CB ALA A 52 3.365 12.730 -5.373 1.00 0.00 C ATOM 0 H ALA A 52 3.510 12.554 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 52 4.082 14.646 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.524 12.923 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.333 12.965 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.562 11.679 -5.584 1.00 0.00 H new ATOM 780 N PHE A 53 6.368 12.339 -6.415 1.00 0.00 N ATOM 781 CA PHE A 53 7.752 11.989 -6.119 1.00 0.00 C ATOM 782 C PHE A 53 8.324 11.073 -7.197 1.00 0.00 C ATOM 783 O PHE A 53 7.585 10.360 -7.876 1.00 0.00 O ATOM 784 CB PHE A 53 7.847 11.307 -4.752 1.00 0.00 C ATOM 785 CG PHE A 53 7.409 9.870 -4.767 1.00 0.00 C ATOM 786 CD1 PHE A 53 6.088 9.538 -5.020 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.319 8.853 -4.530 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.683 8.217 -5.033 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.920 7.530 -4.543 1.00 0.00 C ATOM 790 CZ PHE A 53 6.600 7.211 -4.796 1.00 0.00 C ATOM 0 H PHE A 53 5.929 11.757 -7.128 1.00 0.00 H new ATOM 0 HA PHE A 53 8.337 12.909 -6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.877 11.361 -4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.236 11.857 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.367 10.320 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.352 9.097 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.650 7.971 -5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.639 6.746 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.286 6.178 -4.809 1.00 0.00 H new ATOM 800 N ASP A 54 9.643 11.100 -7.349 1.00 0.00 N ATOM 801 CA ASP A 54 10.315 10.272 -8.345 1.00 0.00 C ATOM 802 C ASP A 54 10.459 8.836 -7.850 1.00 0.00 C ATOM 803 O ASP A 54 10.773 8.600 -6.683 1.00 0.00 O ATOM 804 CB ASP A 54 11.691 10.851 -8.675 1.00 0.00 C ATOM 805 CG ASP A 54 11.639 12.339 -8.964 1.00 0.00 C ATOM 806 OD1 ASP A 54 11.270 12.712 -10.097 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.967 13.131 -8.055 1.00 0.00 O ATOM 0 H ASP A 54 10.269 11.686 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 54 9.705 10.266 -9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.368 10.669 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.103 10.330 -9.539 1.00 0.00 H new ATOM 812 N TYR A 55 10.227 7.882 -8.744 1.00 0.00 N ATOM 813 CA TYR A 55 10.327 6.469 -8.397 1.00 0.00 C ATOM 814 C TYR A 55 11.727 5.936 -8.685 1.00 0.00 C ATOM 815 O TYR A 55 12.428 5.480 -7.783 1.00 0.00 O ATOM 816 CB TYR A 55 9.290 5.657 -9.174 1.00 0.00 C ATOM 817 CG TYR A 55 9.373 4.169 -8.921 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.302 3.658 -7.631 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.524 3.272 -9.972 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.378 2.300 -7.394 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.599 1.912 -9.746 1.00 0.00 C ATOM 822 CZ TYR A 55 9.526 1.430 -8.455 1.00 0.00 C ATOM 823 OH TYR A 55 9.603 0.076 -8.225 1.00 0.00 O ATOM 0 H TYR A 55 9.968 8.061 -9.714 1.00 0.00 H new ATOM 0 HA TYR A 55 10.132 6.368 -7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.293 6.007 -8.908 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.419 5.844 -10.240 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.185 4.336 -6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.584 3.646 -10.984 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.322 1.921 -6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.714 1.229 -10.575 1.00 0.00 H new ATOM 0 HH TYR A 55 9.705 -0.395 -9.078 1.00 0.00 H new ATOM 833 N GLY A 56 12.128 5.998 -9.951 1.00 0.00 N ATOM 834 CA GLY A 56 13.442 5.518 -10.337 1.00 0.00 C ATOM 835 C GLY A 56 14.550 6.120 -9.495 1.00 0.00 C ATOM 836 O GLY A 56 15.646 5.568 -9.415 1.00 0.00 O ATOM 0 H GLY A 56 11.567 6.372 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.470 4.432 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.618 5.755 -11.386 1.00 0.00 H new ATOM 840 N GLN A 57 14.262 7.255 -8.866 1.00 0.00 N ATOM 841 CA GLN A 57 15.244 7.933 -8.027 1.00 0.00 C ATOM 842 C GLN A 57 15.562 7.106 -6.785 1.00 0.00 C ATOM 843 O GLN A 57 16.706 7.062 -6.332 1.00 0.00 O ATOM 844 CB GLN A 57 14.729 9.314 -7.617 1.00 0.00 C ATOM 845 CG GLN A 57 14.943 10.382 -8.677 1.00 0.00 C ATOM 846 CD GLN A 57 14.725 9.860 -10.084 1.00 0.00 C ATOM 847 OE1 GLN A 57 13.758 9.145 -10.350 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.624 10.216 -10.993 1.00 0.00 N ATOM 0 H GLN A 57 13.358 7.724 -8.921 1.00 0.00 H new ATOM 0 HA GLN A 57 16.160 8.052 -8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.664 9.244 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.228 9.621 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.262 11.213 -8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 57 15.956 10.775 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.410 10.810 -10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.529 9.896 -11.957 1.00 0.00 H new ATOM 857 N LEU A 58 14.542 6.453 -6.239 1.00 0.00 N ATOM 858 CA LEU A 58 14.713 5.627 -5.048 1.00 0.00 C ATOM 859 C LEU A 58 15.566 4.400 -5.354 1.00 0.00 C ATOM 860 O LEU A 58 15.636 3.950 -6.498 1.00 0.00 O ATOM 861 CB LEU A 58 13.350 5.193 -4.505 1.00 0.00 C ATOM 862 CG LEU A 58 12.380 6.319 -4.148 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.963 5.782 -4.018 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.812 7.008 -2.862 1.00 0.00 C ATOM 0 H LEU A 58 13.589 6.479 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 58 15.225 6.223 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.874 4.552 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.513 4.585 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 58 12.395 7.054 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.287 6.598 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.655 5.337 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.931 5.026 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.110 7.807 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.827 6.283 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.809 7.428 -2.992 1.00 0.00 H new ATOM 876 N SER A 59 16.211 3.862 -4.324 1.00 0.00 N ATOM 877 CA SER A 59 17.061 2.688 -4.483 1.00 0.00 C ATOM 878 C SER A 59 16.492 1.498 -3.716 1.00 0.00 C ATOM 879 O SER A 59 15.825 1.649 -2.692 1.00 0.00 O ATOM 880 CB SER A 59 18.480 2.990 -3.998 1.00 0.00 C ATOM 881 OG SER A 59 19.201 3.734 -4.965 1.00 0.00 O ATOM 0 H SER A 59 16.161 4.220 -3.370 1.00 0.00 H new ATOM 0 HA SER A 59 17.093 2.434 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.437 3.548 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 59 19.003 2.057 -3.789 1.00 0.00 H new ATOM 0 HG SER A 59 20.104 3.916 -4.631 1.00 0.00 H new ATOM 887 N PRO A 60 16.761 0.286 -4.222 1.00 0.00 N ATOM 888 CA PRO A 60 16.286 -0.955 -3.601 1.00 0.00 C ATOM 889 C PRO A 60 16.985 -1.244 -2.276 1.00 0.00 C ATOM 890 O PRO A 60 16.462 -1.975 -1.436 1.00 0.00 O ATOM 891 CB PRO A 60 16.637 -2.026 -4.636 1.00 0.00 C ATOM 892 CG PRO A 60 17.779 -1.454 -5.402 1.00 0.00 C ATOM 893 CD PRO A 60 17.550 0.032 -5.439 1.00 0.00 C ATOM 0 HA PRO A 60 15.224 -0.910 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.913 -2.965 -4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.790 -2.239 -5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.729 -1.691 -4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.819 -1.868 -6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.490 0.584 -5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 60 17.011 0.333 -6.337 1.00 0.00 H new ATOM 901 N GLN A 61 18.168 -0.666 -2.098 1.00 0.00 N ATOM 902 CA GLN A 61 18.938 -0.863 -0.875 1.00 0.00 C ATOM 903 C GLN A 61 18.366 -0.031 0.268 1.00 0.00 C ATOM 904 O GLN A 61 18.642 -0.293 1.437 1.00 0.00 O ATOM 905 CB GLN A 61 20.405 -0.496 -1.106 1.00 0.00 C ATOM 906 CG GLN A 61 21.230 -1.628 -1.696 1.00 0.00 C ATOM 907 CD GLN A 61 22.685 -1.250 -1.889 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.088 -0.121 -1.607 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.484 -2.195 -2.372 1.00 0.00 N ATOM 0 H GLN A 61 18.614 -0.058 -2.784 1.00 0.00 H new ATOM 0 HA GLN A 61 18.874 -1.916 -0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.455 0.365 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.848 -0.191 -0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.168 -2.497 -1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 61 20.804 -1.921 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.108 -3.117 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.473 -1.998 -2.523 1.00 0.00 H new ATOM 918 N ASN A 62 17.569 0.974 -0.080 1.00 0.00 N ATOM 919 CA ASN A 62 16.959 1.846 0.918 1.00 0.00 C ATOM 920 C ASN A 62 15.735 1.185 1.542 1.00 0.00 C ATOM 921 O ASN A 62 14.675 1.106 0.922 1.00 0.00 O ATOM 922 CB ASN A 62 16.564 3.182 0.284 1.00 0.00 C ATOM 923 CG ASN A 62 17.720 4.163 0.235 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.607 4.137 1.088 1.00 0.00 O ATOM 925 ND2 ASN A 62 17.714 5.035 -0.766 1.00 0.00 N ATOM 0 H ASN A 62 17.330 1.205 -1.044 1.00 0.00 H new ATOM 0 HA ASN A 62 17.692 2.027 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.197 3.007 -0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.742 3.621 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.465 5.720 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.958 5.020 -1.451 1.00 0.00 H new ATOM 932 N ARG A 63 15.889 0.711 2.775 1.00 0.00 N ATOM 933 CA ARG A 63 14.796 0.056 3.484 1.00 0.00 C ATOM 934 C ARG A 63 13.911 1.082 4.185 1.00 0.00 C ATOM 935 O ARG A 63 12.698 0.901 4.291 1.00 0.00 O ATOM 936 CB ARG A 63 15.347 -0.940 4.505 1.00 0.00 C ATOM 937 CG ARG A 63 16.416 -1.862 3.940 1.00 0.00 C ATOM 938 CD ARG A 63 17.413 -2.279 5.010 1.00 0.00 C ATOM 939 NE ARG A 63 18.475 -1.291 5.183 1.00 0.00 N ATOM 940 CZ ARG A 63 19.377 -1.345 6.157 1.00 0.00 C ATOM 941 NH1 ARG A 63 19.347 -2.334 7.039 1.00 0.00 N ATOM 942 NH2 ARG A 63 20.312 -0.408 6.249 1.00 0.00 N ATOM 0 H ARG A 63 16.760 0.769 3.303 1.00 0.00 H new ATOM 0 HA ARG A 63 14.192 -0.481 2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.763 -0.390 5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.526 -1.544 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.946 -2.748 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.941 -1.358 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.891 -2.420 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.852 -3.240 4.742 1.00 0.00 H new ATOM 0 HE ARG A 63 18.527 -0.518 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.630 -3.056 6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.041 -2.373 7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 63 20.338 0.354 5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 63 21.004 -0.450 6.997 1.00 0.00 H new ATOM 956 N ARG A 64 14.526 2.160 4.662 1.00 0.00 N ATOM 957 CA ARG A 64 13.794 3.213 5.354 1.00 0.00 C ATOM 958 C ARG A 64 13.154 4.176 4.358 1.00 0.00 C ATOM 959 O ARG A 64 11.930 4.245 4.248 1.00 0.00 O ATOM 960 CB ARG A 64 14.728 3.981 6.292 1.00 0.00 C ATOM 961 CG ARG A 64 13.999 4.883 7.274 1.00 0.00 C ATOM 962 CD ARG A 64 14.950 5.864 7.941 1.00 0.00 C ATOM 963 NE ARG A 64 14.238 6.864 8.733 1.00 0.00 N ATOM 964 CZ ARG A 64 14.840 7.861 9.372 1.00 0.00 C ATOM 965 NH1 ARG A 64 16.159 7.991 9.311 1.00 0.00 N ATOM 966 NH2 ARG A 64 14.124 8.730 10.072 1.00 0.00 N ATOM 0 H ARG A 64 15.529 2.326 4.582 1.00 0.00 H new ATOM 0 HA ARG A 64 13.003 2.745 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.336 3.268 6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.412 4.585 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.215 5.432 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.510 4.274 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.642 5.319 8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.548 6.364 7.179 1.00 0.00 H new ATOM 0 HE ARG A 64 13.223 6.793 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.713 7.325 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.619 8.757 9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.110 8.633 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.587 9.495 10.562 1.00 0.00 H new ATOM 980 N GLN A 65 13.989 4.916 3.637 1.00 0.00 N ATOM 981 CA GLN A 65 13.504 5.874 2.651 1.00 0.00 C ATOM 982 C GLN A 65 12.303 5.316 1.895 1.00 0.00 C ATOM 983 O GLN A 65 11.242 5.938 1.850 1.00 0.00 O ATOM 984 CB GLN A 65 14.619 6.235 1.668 1.00 0.00 C ATOM 985 CG GLN A 65 14.384 7.547 0.937 1.00 0.00 C ATOM 986 CD GLN A 65 15.665 8.154 0.400 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.114 7.817 -0.695 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.261 9.055 1.172 1.00 0.00 N ATOM 0 H GLN A 65 15.005 4.871 3.717 1.00 0.00 H new ATOM 0 HA GLN A 65 13.191 6.774 3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.564 6.294 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.720 5.434 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.692 7.380 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.907 8.255 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.853 9.304 2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.127 9.498 0.864 1.00 0.00 H new ATOM 997 N ASN A 66 12.478 4.140 1.301 1.00 0.00 N ATOM 998 CA ASN A 66 11.408 3.498 0.545 1.00 0.00 C ATOM 999 C ASN A 66 10.075 3.623 1.277 1.00 0.00 C ATOM 1000 O ASN A 66 9.063 4.000 0.685 1.00 0.00 O ATOM 1001 CB ASN A 66 11.737 2.023 0.308 1.00 0.00 C ATOM 1002 CG ASN A 66 12.641 1.818 -0.892 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.898 2.748 -1.656 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.128 0.594 -1.063 1.00 0.00 N ATOM 0 H ASN A 66 13.350 3.612 1.328 1.00 0.00 H new ATOM 0 HA ASN A 66 11.323 4.003 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.218 1.614 1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.812 1.466 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.742 0.395 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.888 -0.147 -0.404 1.00 0.00 H new ATOM 1011 N PHE A 67 10.082 3.304 2.567 1.00 0.00 N ATOM 1012 CA PHE A 67 8.874 3.380 3.379 1.00 0.00 C ATOM 1013 C PHE A 67 8.458 4.831 3.602 1.00 0.00 C ATOM 1014 O PHE A 67 7.343 5.227 3.265 1.00 0.00 O ATOM 1015 CB PHE A 67 9.095 2.688 4.726 1.00 0.00 C ATOM 1016 CG PHE A 67 8.942 1.196 4.666 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.836 0.423 3.943 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.904 0.565 5.333 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.696 -0.951 3.885 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.760 -0.808 5.280 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.657 -1.568 4.555 1.00 0.00 C ATOM 0 H PHE A 67 10.911 2.990 3.072 1.00 0.00 H new ATOM 0 HA PHE A 67 8.074 2.870 2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.094 2.928 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.387 3.089 5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.651 0.899 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.199 1.154 5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.399 -1.542 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.947 -1.287 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.547 -2.641 4.512 1.00 0.00 H new ATOM 1031 N GLU A 68 9.364 5.619 4.174 1.00 0.00 N ATOM 1032 CA GLU A 68 9.091 7.026 4.443 1.00 0.00 C ATOM 1033 C GLU A 68 8.466 7.701 3.226 1.00 0.00 C ATOM 1034 O GLU A 68 7.301 8.100 3.253 1.00 0.00 O ATOM 1035 CB GLU A 68 10.379 7.752 4.838 1.00 0.00 C ATOM 1036 CG GLU A 68 11.030 7.197 6.094 1.00 0.00 C ATOM 1037 CD GLU A 68 10.444 7.786 7.363 1.00 0.00 C ATOM 1038 OE1 GLU A 68 10.236 9.016 7.406 1.00 0.00 O ATOM 1039 OE2 GLU A 68 10.194 7.015 8.313 1.00 0.00 O ATOM 0 H GLU A 68 10.292 5.307 4.460 1.00 0.00 H new ATOM 0 HA GLU A 68 8.384 7.081 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.089 7.690 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.159 8.809 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.911 6.114 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.101 7.400 6.064 1.00 0.00 H new ATOM 1046 N VAL A 69 9.249 7.827 2.159 1.00 0.00 N ATOM 1047 CA VAL A 69 8.774 8.454 0.932 1.00 0.00 C ATOM 1048 C VAL A 69 7.355 8.004 0.599 1.00 0.00 C ATOM 1049 O VAL A 69 6.448 8.825 0.465 1.00 0.00 O ATOM 1050 CB VAL A 69 9.696 8.129 -0.258 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.109 8.670 -1.553 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.090 8.690 -0.020 1.00 0.00 C ATOM 0 H VAL A 69 10.215 7.503 2.120 1.00 0.00 H new ATOM 0 HA VAL A 69 8.780 9.530 1.103 1.00 0.00 H new ATOM 0 HB VAL A 69 9.775 7.046 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.775 8.431 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.134 8.216 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.998 9.752 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.728 8.451 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.032 9.772 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.510 8.249 0.884 1.00 0.00 H new ATOM 1062 N ALA A 70 7.171 6.695 0.466 1.00 0.00 N ATOM 1063 CA ALA A 70 5.863 6.135 0.151 1.00 0.00 C ATOM 1064 C ALA A 70 4.780 6.737 1.041 1.00 0.00 C ATOM 1065 O ALA A 70 3.669 7.008 0.586 1.00 0.00 O ATOM 1066 CB ALA A 70 5.887 4.621 0.298 1.00 0.00 C ATOM 0 H ALA A 70 7.912 6.002 0.572 1.00 0.00 H new ATOM 0 HA ALA A 70 5.628 6.385 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.903 4.217 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.627 4.201 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.148 4.359 1.323 1.00 0.00 H new ATOM 1072 N PHE A 71 5.111 6.944 2.311 1.00 0.00 N ATOM 1073 CA PHE A 71 4.166 7.512 3.265 1.00 0.00 C ATOM 1074 C PHE A 71 4.001 9.012 3.039 1.00 0.00 C ATOM 1075 O PHE A 71 2.896 9.496 2.796 1.00 0.00 O ATOM 1076 CB PHE A 71 4.634 7.249 4.698 1.00 0.00 C ATOM 1077 CG PHE A 71 4.547 5.805 5.101 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.340 5.127 5.042 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.672 5.126 5.541 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.257 3.798 5.412 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.595 3.797 5.913 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.385 3.133 5.849 1.00 0.00 C ATOM 0 H PHE A 71 6.027 6.727 2.704 1.00 0.00 H new ATOM 0 HA PHE A 71 3.200 7.031 3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.665 7.586 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.033 7.846 5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.454 5.643 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.620 5.641 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.311 3.280 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.479 3.278 6.253 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.322 2.095 6.141 1.00 0.00 H new ATOM 1092 N SER A 72 5.109 9.742 3.121 1.00 0.00 N ATOM 1093 CA SER A 72 5.087 11.188 2.930 1.00 0.00 C ATOM 1094 C SER A 72 4.372 11.554 1.633 1.00 0.00 C ATOM 1095 O SER A 72 3.380 12.283 1.643 1.00 0.00 O ATOM 1096 CB SER A 72 6.513 11.742 2.914 1.00 0.00 C ATOM 1097 OG SER A 72 6.515 13.138 2.669 1.00 0.00 O ATOM 0 H SER A 72 6.032 9.356 3.318 1.00 0.00 H new ATOM 0 HA SER A 72 4.541 11.632 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.997 11.536 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.095 11.234 2.145 1.00 0.00 H new ATOM 0 HG SER A 72 7.438 13.468 2.665 1.00 0.00 H new ATOM 1103 N SER A 73 4.884 11.043 0.518 1.00 0.00 N ATOM 1104 CA SER A 73 4.298 11.318 -0.788 1.00 0.00 C ATOM 1105 C SER A 73 2.777 11.398 -0.696 1.00 0.00 C ATOM 1106 O SER A 73 2.153 12.271 -1.297 1.00 0.00 O ATOM 1107 CB SER A 73 4.703 10.236 -1.791 1.00 0.00 C ATOM 1108 OG SER A 73 6.102 10.249 -2.018 1.00 0.00 O ATOM 0 H SER A 73 5.704 10.436 0.493 1.00 0.00 H new ATOM 0 HA SER A 73 4.675 12.281 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.401 9.258 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.177 10.393 -2.733 1.00 0.00 H new ATOM 0 HG SER A 73 6.279 10.139 -2.976 1.00 0.00 H new ATOM 1114 N ALA A 74 2.188 10.478 0.062 1.00 0.00 N ATOM 1115 CA ALA A 74 0.741 10.445 0.236 1.00 0.00 C ATOM 1116 C ALA A 74 0.258 11.641 1.049 1.00 0.00 C ATOM 1117 O ALA A 74 -0.406 12.533 0.523 1.00 0.00 O ATOM 1118 CB ALA A 74 0.320 9.145 0.905 1.00 0.00 C ATOM 0 H ALA A 74 2.690 9.746 0.565 1.00 0.00 H new ATOM 0 HA ALA A 74 0.280 10.500 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.763 9.134 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.623 8.302 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.798 9.067 1.882 1.00 0.00 H new ATOM 1124 N GLU A 75 0.595 11.651 2.335 1.00 0.00 N ATOM 1125 CA GLU A 75 0.193 12.738 3.221 1.00 0.00 C ATOM 1126 C GLU A 75 0.231 14.077 2.490 1.00 0.00 C ATOM 1127 O GLU A 75 -0.572 14.970 2.763 1.00 0.00 O ATOM 1128 CB GLU A 75 1.105 12.789 4.449 1.00 0.00 C ATOM 1129 CG GLU A 75 1.060 14.117 5.186 1.00 0.00 C ATOM 1130 CD GLU A 75 2.067 15.116 4.650 1.00 0.00 C ATOM 1131 OE1 GLU A 75 3.134 14.681 4.169 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.789 16.331 4.713 1.00 0.00 O ATOM 0 H GLU A 75 1.145 10.920 2.786 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.830 12.549 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.820 11.992 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.131 12.590 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.058 14.539 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.251 13.947 6.246 1.00 0.00 H new ATOM 1139 N THR A 76 1.172 14.211 1.560 1.00 0.00 N ATOM 1140 CA THR A 76 1.317 15.441 0.791 1.00 0.00 C ATOM 1141 C THR A 76 -0.043 16.042 0.454 1.00 0.00 C ATOM 1142 O THR A 76 -0.442 17.058 1.023 1.00 0.00 O ATOM 1143 CB THR A 76 2.096 15.197 -0.516 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.345 14.559 -0.230 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.346 16.507 -1.248 1.00 0.00 C ATOM 0 H THR A 76 1.845 13.483 1.321 1.00 0.00 H new ATOM 0 HA THR A 76 1.876 16.140 1.414 1.00 0.00 H new ATOM 0 HB THR A 76 1.496 14.550 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.833 14.406 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.897 16.311 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.392 16.976 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.928 17.174 -0.612 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.752 15.408 -0.475 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.069 15.880 -0.887 1.00 0.00 C ATOM 1155 C HIS A 77 -3.160 14.921 -0.421 1.00 0.00 C ATOM 1156 O HIS A 77 -4.340 15.271 -0.402 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.126 16.037 -2.407 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.251 15.069 -3.142 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.988 13.761 -2.911 1.00 0.00 N flip ATOM 1160 CD2 HIS A 77 -0.522 15.412 -4.261 1.00 0.00 C flip ATOM 1161 CE1 HIS A 77 -0.116 13.342 -3.885 1.00 0.00 C flip ATOM 1162 NE2 HIS A 77 0.149 14.358 -4.687 1.00 0.00 N flip ATOM 0 H HIS A 77 -0.436 14.566 -0.957 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.241 16.851 -0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.156 15.908 -2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.831 17.053 -2.670 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.367 13.193 -2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.503 16.390 -4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.287 12.345 -3.980 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.758 13.711 -0.048 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.701 12.702 0.419 1.00 0.00 C ATOM 1173 C ALA A 78 -3.962 12.845 1.914 1.00 0.00 C ATOM 1174 O ALA A 78 -5.004 12.421 2.416 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.182 11.308 0.102 1.00 0.00 C ATOM 0 H ALA A 78 -1.785 13.405 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.646 12.853 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.896 10.565 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.054 11.204 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.223 11.155 0.598 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.010 13.443 2.622 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.138 13.641 4.061 1.00 0.00 C ATOM 1183 C ASP A 79 -3.659 12.378 4.740 1.00 0.00 C ATOM 1184 O ASP A 79 -4.654 12.417 5.464 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.072 14.816 4.355 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.716 15.531 5.644 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.532 15.888 5.817 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.622 15.733 6.479 1.00 0.00 O ATOM 0 H ASP A 79 -2.141 13.799 2.223 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.149 13.865 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.032 15.524 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.098 14.454 4.415 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.982 11.261 4.499 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.378 9.986 5.086 1.00 0.00 C ATOM 1195 C CYS A 80 -2.896 9.878 6.528 1.00 0.00 C ATOM 1196 O CYS A 80 -1.775 10.260 6.864 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.819 8.826 4.260 1.00 0.00 C ATOM 1198 SG CYS A 80 -3.008 7.206 5.041 1.00 0.00 S ATOM 0 H CYS A 80 -2.157 11.212 3.902 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.467 9.934 5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.318 8.811 3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.761 9.005 4.071 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.905 6.530 4.910 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.762 9.346 7.404 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.447 9.176 8.825 1.00 0.00 C ATOM 1206 C PRO A 81 -2.395 8.098 9.061 1.00 0.00 C ATOM 1207 O PRO A 81 -2.727 6.948 9.350 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.786 8.760 9.438 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.539 8.135 8.315 1.00 0.00 C ATOM 1210 CD PRO A 81 -5.115 8.869 7.073 1.00 0.00 C ATOM 0 HA PRO A 81 -3.027 10.083 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.644 8.057 10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.320 9.620 9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.312 7.072 8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.614 8.220 8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.108 8.214 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.788 9.696 6.845 1.00 0.00 H new ATOM 1218 N GLN A 82 -1.127 8.477 8.938 1.00 0.00 N ATOM 1219 CA GLN A 82 -0.027 7.541 9.138 1.00 0.00 C ATOM 1220 C GLN A 82 -0.312 6.609 10.311 1.00 0.00 C ATOM 1221 O GLN A 82 -0.380 7.044 11.461 1.00 0.00 O ATOM 1222 CB GLN A 82 1.279 8.299 9.379 1.00 0.00 C ATOM 1223 CG GLN A 82 1.907 8.849 8.109 1.00 0.00 C ATOM 1224 CD GLN A 82 3.017 9.842 8.389 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.493 9.957 9.519 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.437 10.568 7.359 1.00 0.00 N ATOM 0 H GLN A 82 -0.836 9.425 8.701 1.00 0.00 H new ATOM 0 HA GLN A 82 0.073 6.939 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.089 9.123 10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.991 7.633 9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.304 8.024 7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.137 9.331 7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.015 10.441 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.182 11.253 7.488 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.479 5.325 10.013 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.757 4.330 11.043 1.00 0.00 C ATOM 1237 C LEU A 83 0.499 3.537 11.388 1.00 0.00 C ATOM 1238 O LEU A 83 0.778 3.272 12.558 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.863 3.381 10.578 1.00 0.00 C ATOM 1240 CG LEU A 83 -3.114 4.040 9.997 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -4.010 3.001 9.342 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.871 4.794 11.081 1.00 0.00 C ATOM 0 H LEU A 83 -0.427 4.949 9.066 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.090 4.854 11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.447 2.712 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.162 2.762 11.424 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.804 4.754 9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.895 3.489 8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.466 2.506 8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.312 2.262 10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.759 5.257 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.169 4.100 11.867 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.228 5.566 11.504 1.00 0.00 H new ATOM 1254 N LEU A 84 1.255 3.162 10.362 1.00 0.00 N ATOM 1255 CA LEU A 84 2.484 2.401 10.556 1.00 0.00 C ATOM 1256 C LEU A 84 3.628 3.313 10.987 1.00 0.00 C ATOM 1257 O LEU A 84 3.661 4.493 10.635 1.00 0.00 O ATOM 1258 CB LEU A 84 2.861 1.666 9.268 1.00 0.00 C ATOM 1259 CG LEU A 84 1.714 0.974 8.530 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.034 0.843 7.049 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.433 -0.391 9.140 1.00 0.00 C ATOM 0 H LEU A 84 1.039 3.372 9.388 1.00 0.00 H new ATOM 0 HA LEU A 84 2.308 1.671 11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.325 2.380 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.616 0.917 9.508 1.00 0.00 H new ATOM 0 HG LEU A 84 0.819 1.587 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.207 0.348 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.183 1.834 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.942 0.253 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.614 -0.868 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.326 -1.012 9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.158 -0.272 10.188 1.00 0.00 H new ATOM 1273 N ASP A 85 4.565 2.759 11.748 1.00 0.00 N ATOM 1274 CA ASP A 85 5.713 3.522 12.224 1.00 0.00 C ATOM 1275 C ASP A 85 6.995 3.062 11.536 1.00 0.00 C ATOM 1276 O ASP A 85 7.709 2.196 12.043 1.00 0.00 O ATOM 1277 CB ASP A 85 5.854 3.379 13.740 1.00 0.00 C ATOM 1278 CG ASP A 85 4.855 4.231 14.498 1.00 0.00 C ATOM 1279 OD1 ASP A 85 4.577 5.362 14.047 1.00 0.00 O ATOM 1280 OD2 ASP A 85 4.351 3.766 15.542 1.00 0.00 O ATOM 0 H ASP A 85 4.552 1.784 12.049 1.00 0.00 H new ATOM 0 HA ASP A 85 5.547 4.571 11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.719 2.333 14.017 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.865 3.660 14.036 1.00 0.00 H new ATOM 1285 N THR A 86 7.281 3.647 10.377 1.00 0.00 N ATOM 1286 CA THR A 86 8.474 3.296 9.618 1.00 0.00 C ATOM 1287 C THR A 86 9.631 2.943 10.545 1.00 0.00 C ATOM 1288 O THR A 86 10.218 1.866 10.436 1.00 0.00 O ATOM 1289 CB THR A 86 8.908 4.447 8.690 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.785 4.920 7.938 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.005 3.991 7.739 1.00 0.00 C ATOM 0 H THR A 86 6.702 4.366 9.944 1.00 0.00 H new ATOM 0 HA THR A 86 8.219 2.427 9.012 1.00 0.00 H new ATOM 0 HB THR A 86 9.298 5.256 9.308 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.710 4.409 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.295 4.820 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.870 3.659 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.637 3.167 7.128 1.00 0.00 H new ATOM 1299 N GLU A 87 9.954 3.855 11.456 1.00 0.00 N ATOM 1300 CA GLU A 87 11.042 3.638 12.402 1.00 0.00 C ATOM 1301 C GLU A 87 11.059 2.191 12.888 1.00 0.00 C ATOM 1302 O GLU A 87 12.099 1.533 12.872 1.00 0.00 O ATOM 1303 CB GLU A 87 10.907 4.586 13.595 1.00 0.00 C ATOM 1304 CG GLU A 87 11.270 6.026 13.272 1.00 0.00 C ATOM 1305 CD GLU A 87 10.748 7.005 14.305 1.00 0.00 C ATOM 1306 OE1 GLU A 87 9.545 6.933 14.635 1.00 0.00 O ATOM 1307 OE2 GLU A 87 11.540 7.844 14.783 1.00 0.00 O ATOM 0 H GLU A 87 9.478 4.751 11.559 1.00 0.00 H new ATOM 0 HA GLU A 87 11.982 3.843 11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.881 4.552 13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.546 4.232 14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.354 6.117 13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.868 6.287 12.293 1.00 0.00 H new ATOM 1314 N ASP A 88 9.901 1.704 13.319 1.00 0.00 N ATOM 1315 CA ASP A 88 9.782 0.336 13.810 1.00 0.00 C ATOM 1316 C ASP A 88 9.726 -0.654 12.650 1.00 0.00 C ATOM 1317 O ASP A 88 10.149 -1.802 12.781 1.00 0.00 O ATOM 1318 CB ASP A 88 8.533 0.191 14.681 1.00 0.00 C ATOM 1319 CG ASP A 88 8.779 0.606 16.119 1.00 0.00 C ATOM 1320 OD1 ASP A 88 8.682 1.816 16.411 1.00 0.00 O ATOM 1321 OD2 ASP A 88 9.070 -0.279 16.951 1.00 0.00 O ATOM 0 H ASP A 88 9.031 2.236 13.338 1.00 0.00 H new ATOM 0 HA ASP A 88 10.663 0.114 14.412 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.730 0.798 14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.195 -0.845 14.657 1.00 0.00 H new ATOM 1326 N MET A 89 9.200 -0.201 11.517 1.00 0.00 N ATOM 1327 CA MET A 89 9.089 -1.047 10.335 1.00 0.00 C ATOM 1328 C MET A 89 10.468 -1.466 9.835 1.00 0.00 C ATOM 1329 O MET A 89 10.669 -2.609 9.423 1.00 0.00 O ATOM 1330 CB MET A 89 8.333 -0.313 9.226 1.00 0.00 C ATOM 1331 CG MET A 89 6.951 0.164 9.645 1.00 0.00 C ATOM 1332 SD MET A 89 5.780 -1.192 9.848 1.00 0.00 S ATOM 1333 CE MET A 89 5.081 -1.285 8.201 1.00 0.00 C ATOM 0 H MET A 89 8.844 0.747 11.393 1.00 0.00 H new ATOM 0 HA MET A 89 8.534 -1.944 10.611 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.922 0.545 8.903 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.235 -0.975 8.365 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.030 0.714 10.583 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.569 0.860 8.898 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.198 -1.924 8.216 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.800 -0.286 7.868 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.819 -1.702 7.516 1.00 0.00 H new ATOM 1343 N VAL A 90 11.415 -0.534 9.872 1.00 0.00 N ATOM 1344 CA VAL A 90 12.775 -0.807 9.423 1.00 0.00 C ATOM 1345 C VAL A 90 13.384 -1.973 10.193 1.00 0.00 C ATOM 1346 O VAL A 90 13.616 -3.045 9.634 1.00 0.00 O ATOM 1347 CB VAL A 90 13.679 0.430 9.587 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.145 0.031 9.524 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.354 1.470 8.526 1.00 0.00 C ATOM 0 H VAL A 90 11.265 0.417 10.208 1.00 0.00 H new ATOM 0 HA VAL A 90 12.714 -1.066 8.366 1.00 0.00 H new ATOM 0 HB VAL A 90 13.490 0.871 10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.769 0.917 9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.364 -0.676 10.324 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.354 -0.435 8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.001 2.337 8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.515 1.043 7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.313 1.777 8.624 1.00 0.00 H new ATOM 1359 N ARG A 91 13.640 -1.757 11.479 1.00 0.00 N ATOM 1360 CA ARG A 91 14.222 -2.791 12.326 1.00 0.00 C ATOM 1361 C ARG A 91 13.435 -4.093 12.215 1.00 0.00 C ATOM 1362 O ARG A 91 14.014 -5.174 12.099 1.00 0.00 O ATOM 1363 CB ARG A 91 14.257 -2.326 13.784 1.00 0.00 C ATOM 1364 CG ARG A 91 12.936 -1.756 14.273 1.00 0.00 C ATOM 1365 CD ARG A 91 13.041 -1.253 15.704 1.00 0.00 C ATOM 1366 NE ARG A 91 13.084 -2.350 16.668 1.00 0.00 N ATOM 1367 CZ ARG A 91 12.965 -2.181 17.980 1.00 0.00 C ATOM 1368 NH1 ARG A 91 12.795 -0.965 18.482 1.00 0.00 N ATOM 1369 NH2 ARG A 91 13.014 -3.228 18.792 1.00 0.00 N ATOM 0 H ARG A 91 13.454 -0.875 11.957 1.00 0.00 H new ATOM 0 HA ARG A 91 15.241 -2.973 11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.537 -3.167 14.418 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.033 -1.569 13.897 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.628 -0.939 13.621 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.163 -2.522 14.211 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.938 -0.643 15.809 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.190 -0.609 15.925 1.00 0.00 H new ATOM 0 HE ARG A 91 13.212 -3.298 16.314 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.755 -0.157 17.860 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.704 -0.838 19.490 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.143 -4.165 18.409 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.923 -3.097 19.799 1.00 0.00 H new ATOM 1383 N LEU A 92 12.112 -3.983 12.252 1.00 0.00 N ATOM 1384 CA LEU A 92 11.243 -5.151 12.156 1.00 0.00 C ATOM 1385 C LEU A 92 11.668 -6.051 10.999 1.00 0.00 C ATOM 1386 O LEU A 92 11.859 -5.586 9.876 1.00 0.00 O ATOM 1387 CB LEU A 92 9.788 -4.716 11.971 1.00 0.00 C ATOM 1388 CG LEU A 92 9.013 -4.405 13.252 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.779 -3.574 12.941 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.626 -5.692 13.967 1.00 0.00 C ATOM 0 H LEU A 92 11.617 -3.096 12.348 1.00 0.00 H new ATOM 0 HA LEU A 92 11.331 -5.716 13.084 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.772 -3.830 11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.260 -5.503 11.433 1.00 0.00 H new ATOM 0 HG LEU A 92 9.658 -3.826 13.913 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.240 -3.363 13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.080 -2.636 12.474 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.130 -4.126 12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.075 -5.452 14.876 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.999 -6.297 13.312 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.526 -6.250 14.225 1.00 0.00 H new ATOM 1402 N ARG A 93 11.811 -7.342 11.282 1.00 0.00 N ATOM 1403 CA ARG A 93 12.211 -8.307 10.266 1.00 0.00 C ATOM 1404 C ARG A 93 11.258 -8.270 9.075 1.00 0.00 C ATOM 1405 O ARG A 93 11.656 -8.531 7.941 1.00 0.00 O ATOM 1406 CB ARG A 93 12.251 -9.717 10.858 1.00 0.00 C ATOM 1407 CG ARG A 93 13.511 -10.008 11.655 1.00 0.00 C ATOM 1408 CD ARG A 93 13.381 -11.295 12.454 1.00 0.00 C ATOM 1409 NE ARG A 93 14.508 -11.493 13.361 1.00 0.00 N ATOM 1410 CZ ARG A 93 14.545 -12.441 14.291 1.00 0.00 C ATOM 1411 NH1 ARG A 93 13.523 -13.274 14.435 1.00 0.00 N ATOM 1412 NH2 ARG A 93 15.606 -12.558 15.079 1.00 0.00 N ATOM 0 H ARG A 93 11.656 -7.743 12.207 1.00 0.00 H new ATOM 0 HA ARG A 93 13.209 -8.038 9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.383 -9.856 11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.167 -10.444 10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 93 14.362 -10.084 10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.715 -9.178 12.331 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.454 -11.274 13.027 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.313 -12.141 11.770 1.00 0.00 H new ATOM 0 HE ARG A 93 15.311 -10.869 13.276 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.706 -13.188 13.831 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.554 -14.001 15.150 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.394 -11.920 14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.633 -13.286 15.793 1.00 0.00 H new ATOM 1426 N GLU A 94 9.997 -7.944 9.343 1.00 0.00 N ATOM 1427 CA GLU A 94 8.987 -7.874 8.294 1.00 0.00 C ATOM 1428 C GLU A 94 7.666 -7.345 8.845 1.00 0.00 C ATOM 1429 O GLU A 94 7.280 -7.627 9.980 1.00 0.00 O ATOM 1430 CB GLU A 94 8.775 -9.254 7.667 1.00 0.00 C ATOM 1431 CG GLU A 94 8.243 -10.291 8.643 1.00 0.00 C ATOM 1432 CD GLU A 94 8.288 -11.698 8.081 1.00 0.00 C ATOM 1433 OE1 GLU A 94 9.372 -12.124 7.630 1.00 0.00 O ATOM 1434 OE2 GLU A 94 7.237 -12.374 8.091 1.00 0.00 O ATOM 0 H GLU A 94 9.651 -7.724 10.277 1.00 0.00 H new ATOM 0 HA GLU A 94 9.343 -7.185 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.079 -9.162 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.721 -9.606 7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.827 -10.252 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.215 -10.042 8.907 1.00 0.00 H new ATOM 1441 N PRO A 95 6.955 -6.559 8.023 1.00 0.00 N ATOM 1442 CA PRO A 95 5.666 -5.974 8.405 1.00 0.00 C ATOM 1443 C PRO A 95 4.564 -7.021 8.516 1.00 0.00 C ATOM 1444 O PRO A 95 4.402 -7.861 7.631 1.00 0.00 O ATOM 1445 CB PRO A 95 5.366 -5.000 7.263 1.00 0.00 C ATOM 1446 CG PRO A 95 6.113 -5.545 6.094 1.00 0.00 C ATOM 1447 CD PRO A 95 7.354 -6.182 6.657 1.00 0.00 C ATOM 0 HA PRO A 95 5.708 -5.501 9.386 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.297 -4.946 7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.695 -3.990 7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.511 -6.274 5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.366 -4.753 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.660 -7.051 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.195 -5.489 6.661 1.00 0.00 H new ATOM 1455 N ASP A 96 3.808 -6.965 9.607 1.00 0.00 N ATOM 1456 CA ASP A 96 2.719 -7.908 9.833 1.00 0.00 C ATOM 1457 C ASP A 96 1.530 -7.590 8.932 1.00 0.00 C ATOM 1458 O ASP A 96 1.127 -6.434 8.806 1.00 0.00 O ATOM 1459 CB ASP A 96 2.287 -7.880 11.299 1.00 0.00 C ATOM 1460 CG ASP A 96 1.481 -9.103 11.689 1.00 0.00 C ATOM 1461 OD1 ASP A 96 0.590 -9.500 10.909 1.00 0.00 O ATOM 1462 OD2 ASP A 96 1.741 -9.664 12.774 1.00 0.00 O ATOM 0 H ASP A 96 3.930 -6.276 10.349 1.00 0.00 H new ATOM 0 HA ASP A 96 3.080 -8.907 9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.171 -7.813 11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.694 -6.984 11.483 1.00 0.00 H new ATOM 1467 N TRP A 97 0.974 -8.623 8.309 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.170 -8.452 7.419 1.00 0.00 C ATOM 1469 C TRP A 97 -1.275 -7.652 8.100 1.00 0.00 C ATOM 1470 O TRP A 97 -1.944 -6.836 7.466 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.707 -9.815 6.980 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.039 -10.721 8.127 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.200 -11.606 8.742 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.301 -10.832 8.794 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.864 -12.260 9.751 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.154 -11.803 9.804 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.539 -10.204 8.638 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.200 -12.159 10.651 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.577 -10.559 9.479 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.402 -11.529 10.476 1.00 0.00 C ATOM 0 H TRP A 97 1.296 -9.586 8.403 1.00 0.00 H new ATOM 0 HA TRP A 97 0.163 -7.900 6.540 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.600 -9.667 6.373 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.033 -10.301 6.345 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.834 -11.768 8.474 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.462 -12.971 10.362 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.683 -9.454 7.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.067 -12.906 11.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.539 -10.081 9.366 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.232 -11.784 11.118 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.461 -7.890 9.394 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.484 -7.191 10.161 1.00 0.00 C ATOM 1493 C LYS A 98 -2.282 -5.680 10.088 1.00 0.00 C ATOM 1494 O LYS A 98 -3.241 -4.923 9.936 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.458 -7.649 11.621 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.740 -9.131 11.799 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.484 -9.580 13.228 1.00 0.00 C ATOM 1498 CE LYS A 98 -1.003 -9.819 13.480 1.00 0.00 C ATOM 1499 NZ LYS A 98 -0.724 -10.111 14.913 1.00 0.00 N ATOM 0 H LYS A 98 -0.916 -8.562 9.933 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.455 -7.432 9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.481 -7.420 12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.195 -7.077 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.776 -9.340 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.112 -9.706 11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.855 -8.824 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.041 -10.495 13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.660 -10.652 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.436 -8.941 13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.296 -10.268 15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.028 -9.306 15.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.245 -10.964 15.201 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.030 -5.250 10.195 1.00 0.00 N ATOM 1514 CA CYS A 99 -0.702 -3.830 10.140 1.00 0.00 C ATOM 1515 C CYS A 99 -0.857 -3.291 8.722 1.00 0.00 C ATOM 1516 O CYS A 99 -1.753 -2.494 8.444 1.00 0.00 O ATOM 1517 CB CYS A 99 0.726 -3.595 10.635 1.00 0.00 C ATOM 1518 SG CYS A 99 1.023 -4.158 12.327 1.00 0.00 S ATOM 0 H CYS A 99 -0.225 -5.864 10.320 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.396 -3.297 10.790 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.419 -4.106 9.967 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.950 -2.530 10.573 1.00 0.00 H new ATOM 0 HG CYS A 99 2.258 -3.918 12.654 1.00 0.00 H new ATOM 1524 N VAL A 100 0.023 -3.730 7.828 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.015 -3.291 6.438 1.00 0.00 C ATOM 1526 C VAL A 100 -1.448 -3.220 5.923 1.00 0.00 C ATOM 1527 O VAL A 100 -1.869 -2.207 5.364 1.00 0.00 O ATOM 1528 CB VAL A 100 0.799 -4.232 5.530 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.728 -3.771 4.082 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.242 -4.312 6.003 1.00 0.00 C ATOM 0 H VAL A 100 0.771 -4.390 8.041 1.00 0.00 H new ATOM 0 HA VAL A 100 0.428 -2.296 6.408 1.00 0.00 H new ATOM 0 HB VAL A 100 0.366 -5.230 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.309 -4.448 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.310 -3.771 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.134 -2.763 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.802 -4.981 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.690 -3.319 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.270 -4.694 7.024 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.194 -4.302 6.117 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.581 -4.364 5.670 1.00 0.00 C ATOM 1542 C TYR A 101 -4.340 -3.103 6.073 1.00 0.00 C ATOM 1543 O TYR A 101 -5.068 -2.518 5.271 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.273 -5.597 6.254 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.772 -5.598 6.061 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.598 -4.830 6.872 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.363 -6.368 5.067 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.968 -4.829 6.700 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.733 -6.373 4.887 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.531 -5.602 5.706 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.896 -5.603 5.530 1.00 0.00 O ATOM 0 H TYR A 101 -1.862 -5.148 6.581 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.582 -4.436 4.582 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.855 -6.491 5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.052 -5.657 7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.161 -4.223 7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.741 -6.973 4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.595 -4.226 7.340 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.176 -6.977 4.109 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.261 -4.734 5.799 1.00 0.00 H new ATOM 1561 N THR A 102 -4.163 -2.688 7.324 1.00 0.00 N ATOM 1562 CA THR A 102 -4.830 -1.497 7.836 1.00 0.00 C ATOM 1563 C THR A 102 -4.498 -0.274 6.989 1.00 0.00 C ATOM 1564 O THR A 102 -5.380 0.511 6.642 1.00 0.00 O ATOM 1565 CB THR A 102 -4.435 -1.218 9.298 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.537 -2.418 10.072 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.325 -0.142 9.903 1.00 0.00 C ATOM 0 H THR A 102 -3.563 -3.159 8.001 1.00 0.00 H new ATOM 0 HA THR A 102 -5.902 -1.689 7.787 1.00 0.00 H new ATOM 0 HB THR A 102 -3.404 -0.865 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.736 -2.965 9.934 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.027 0.038 10.936 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.223 0.780 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.364 -0.472 9.877 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.221 -0.118 6.659 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.772 1.011 5.853 1.00 0.00 C ATOM 1577 C TYR A 103 -3.393 0.968 4.460 1.00 0.00 C ATOM 1578 O TYR A 103 -3.874 1.981 3.951 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.246 1.012 5.743 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.691 2.229 5.038 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.556 3.441 5.703 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.299 2.165 3.706 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.050 4.555 5.063 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.210 3.274 3.058 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.332 4.467 3.740 1.00 0.00 C ATOM 1586 OH TYR A 103 0.838 5.574 3.099 1.00 0.00 O ATOM 0 H TYR A 103 -2.478 -0.759 6.937 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.095 1.928 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.818 0.955 6.744 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.928 0.117 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.852 3.513 6.739 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.394 1.233 3.169 1.00 0.00 H new ATOM 0 HE1 TYR A 103 0.046 5.490 5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.511 3.207 2.023 1.00 0.00 H new ATOM 0 HH TYR A 103 1.059 5.343 2.173 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.381 -0.212 3.850 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.944 -0.389 2.518 1.00 0.00 C ATOM 1598 C ILE A 104 -5.415 0.011 2.485 1.00 0.00 C ATOM 1599 O ILE A 104 -5.858 0.709 1.573 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.809 -1.846 2.038 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.341 -2.277 2.051 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.401 -2.003 0.646 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.496 -1.570 1.015 1.00 0.00 C ATOM 0 H ILE A 104 -2.987 -1.060 4.258 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.379 0.259 1.848 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.363 -2.490 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.924 -2.087 3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.285 -3.352 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.298 -3.038 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.457 -1.733 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.873 -1.350 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.467 -1.924 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.889 -1.780 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.522 -0.495 1.196 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.166 -0.434 3.488 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.587 -0.121 3.574 1.00 0.00 C ATOM 1617 C GLN A 105 -7.802 1.361 3.866 1.00 0.00 C ATOM 1618 O GLN A 105 -8.579 2.030 3.186 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.253 -0.968 4.661 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.772 -0.919 4.625 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.349 -1.607 3.404 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.551 -2.822 3.400 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -10.620 -0.833 2.360 1.00 0.00 N ATOM 0 H GLN A 105 -5.814 -1.012 4.251 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.043 -0.353 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.929 -2.003 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.910 -0.626 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.168 -1.390 5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.099 0.121 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.437 0.169 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.012 -1.241 1.511 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.107 1.866 4.880 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.223 3.269 5.262 1.00 0.00 C ATOM 1634 C GLU A 106 -6.928 4.181 4.075 1.00 0.00 C ATOM 1635 O GLU A 106 -7.710 5.078 3.757 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.269 3.588 6.414 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.369 5.021 6.908 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.467 5.208 7.938 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.637 5.377 7.535 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.155 5.186 9.147 1.00 0.00 O ATOM 0 H GLU A 106 -6.458 1.325 5.452 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.247 3.447 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.475 2.911 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.246 3.394 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.415 5.319 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.554 5.681 6.061 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.793 3.947 3.424 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.392 4.748 2.273 1.00 0.00 C ATOM 1649 C PHE A 107 -6.376 4.573 1.120 1.00 0.00 C ATOM 1650 O PHE A 107 -6.912 5.548 0.593 1.00 0.00 O ATOM 1651 CB PHE A 107 -3.983 4.359 1.821 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.336 5.383 0.932 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.255 6.709 1.325 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.808 5.018 -0.296 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.659 7.653 0.510 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.211 5.958 -1.115 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.137 7.277 -0.712 1.00 0.00 C ATOM 0 H PHE A 107 -5.135 3.209 3.674 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.393 5.796 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.357 4.205 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.029 3.407 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.662 7.009 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.863 3.988 -0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.602 8.683 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.803 5.661 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.672 8.013 -1.351 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.607 3.324 0.732 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.523 3.020 -0.361 1.00 0.00 C ATOM 1669 C TYR A 108 -8.796 3.852 -0.252 1.00 0.00 C ATOM 1670 O TYR A 108 -9.238 4.462 -1.226 1.00 0.00 O ATOM 1671 CB TYR A 108 -7.872 1.530 -0.363 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.952 1.163 -1.355 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -8.657 1.002 -2.704 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -10.266 0.977 -0.945 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -9.641 0.667 -3.614 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -11.255 0.640 -1.848 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.938 0.487 -3.181 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.921 0.152 -4.085 1.00 0.00 O ATOM 0 H TYR A 108 -6.173 2.505 1.158 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.026 3.271 -1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.974 0.955 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.195 1.240 0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.642 1.141 -3.046 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.519 1.098 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.396 0.547 -4.659 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.271 0.497 -1.512 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.778 0.061 -3.618 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.382 3.872 0.941 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.605 4.628 1.179 1.00 0.00 C ATOM 1690 C ARG A 109 -10.446 6.077 0.726 1.00 0.00 C ATOM 1691 O ARG A 109 -11.342 6.644 0.100 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.976 4.584 2.663 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.334 5.196 2.969 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.877 4.706 4.302 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.213 3.285 4.267 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.983 2.690 5.172 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -14.493 3.388 6.176 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.243 1.392 5.072 1.00 0.00 N ATOM 0 H ARG A 109 -9.029 3.373 1.758 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.405 4.170 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.970 3.547 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.212 5.110 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.249 6.283 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.036 4.944 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.137 4.884 5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.764 5.282 4.566 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.836 2.719 3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.295 4.385 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.084 2.928 6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -13.852 0.851 4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.834 0.935 5.767 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.301 6.669 1.048 1.00 0.00 N ATOM 1713 CA CYS A 110 -9.024 8.052 0.675 1.00 0.00 C ATOM 1714 C CYS A 110 -9.043 8.221 -0.840 1.00 0.00 C ATOM 1715 O CYS A 110 -9.742 9.085 -1.371 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.670 8.491 1.233 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.630 8.654 3.033 1.00 0.00 S ATOM 0 H CYS A 110 -8.550 6.213 1.566 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.805 8.681 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.912 7.770 0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.398 9.447 0.786 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.443 9.027 3.409 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.270 7.391 -1.532 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.196 7.449 -2.988 1.00 0.00 C ATOM 1725 C LEU A 111 -9.590 7.410 -3.606 1.00 0.00 C ATOM 1726 O LEU A 111 -9.979 8.314 -4.346 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.356 6.288 -3.523 1.00 0.00 C ATOM 1728 CG LEU A 111 -5.966 6.125 -2.906 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.324 4.828 -3.372 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.085 7.315 -3.256 1.00 0.00 C ATOM 0 H LEU A 111 -7.686 6.670 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.722 8.390 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.911 5.363 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.241 6.415 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.073 6.084 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.336 4.729 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -5.946 3.985 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.230 4.838 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.100 7.182 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.985 7.388 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.538 8.229 -2.871 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.340 6.357 -3.296 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.692 6.201 -3.818 1.00 0.00 C ATOM 1744 C VAL A 112 -12.457 7.519 -3.764 1.00 0.00 C ATOM 1745 O VAL A 112 -13.163 7.876 -4.707 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.477 5.132 -3.035 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -13.892 5.003 -3.577 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -11.753 3.795 -3.088 1.00 0.00 C ATOM 0 H VAL A 112 -10.034 5.599 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.596 5.882 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.541 5.444 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.431 4.243 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.407 5.959 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.854 4.714 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.321 3.051 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.656 3.474 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.762 3.900 -2.647 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.312 8.236 -2.655 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.990 9.515 -2.479 1.00 0.00 C ATOM 1760 C GLN A 113 -12.290 10.616 -3.269 1.00 0.00 C ATOM 1761 O GLN A 113 -12.926 11.565 -3.729 1.00 0.00 O ATOM 1762 CB GLN A 113 -13.040 9.889 -0.996 1.00 0.00 C ATOM 1763 CG GLN A 113 -14.056 9.085 -0.200 1.00 0.00 C ATOM 1764 CD GLN A 113 -15.486 9.483 -0.510 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -15.765 10.081 -1.549 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -16.401 9.152 0.394 1.00 0.00 N ATOM 0 H GLN A 113 -11.732 7.954 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.008 9.413 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.052 9.744 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -13.276 10.949 -0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.923 8.025 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.868 9.221 0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -16.125 8.656 1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -17.380 9.394 0.241 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.977 10.483 -3.424 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.190 11.466 -4.159 1.00 0.00 C ATOM 1777 C LYS A 114 -10.604 11.506 -5.627 1.00 0.00 C ATOM 1778 O LYS A 114 -10.625 12.569 -6.247 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.699 11.141 -4.048 1.00 0.00 C ATOM 1780 CG LYS A 114 -8.102 11.475 -2.692 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.766 12.953 -2.579 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.510 13.299 -3.364 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.071 14.701 -3.117 1.00 0.00 N ATOM 0 H LYS A 114 -10.435 9.704 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.376 12.446 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.551 10.080 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.158 11.690 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.805 11.200 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.200 10.883 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.602 13.547 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.626 13.217 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.709 12.613 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.697 13.159 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.447 15.011 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.903 15.323 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.556 14.750 -2.215 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.935 10.342 -6.176 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.346 10.267 -7.566 1.00 0.00 C ATOM 1799 C GLY A 115 -10.340 9.532 -8.429 1.00 0.00 C ATOM 1800 O GLY A 115 -10.289 9.732 -9.644 1.00 0.00 O ATOM 0 H GLY A 115 -10.926 9.449 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.311 9.764 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.486 11.275 -7.955 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.536 8.681 -7.803 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.524 7.914 -8.522 1.00 0.00 C ATOM 1806 C LEU A 116 -9.070 6.553 -8.942 1.00 0.00 C ATOM 1807 O LEU A 116 -8.955 6.157 -10.102 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.280 7.731 -7.651 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.451 8.989 -7.392 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.672 8.857 -6.092 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.508 9.256 -8.556 1.00 0.00 C ATOM 0 H LEU A 116 -9.565 8.504 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.252 8.469 -9.420 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.591 7.321 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.637 6.987 -8.122 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.131 9.836 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.088 9.762 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.367 8.715 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.002 7.999 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.926 10.155 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.834 8.408 -8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.087 9.396 -9.469 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.666 5.840 -7.991 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.232 4.525 -8.263 1.00 0.00 C ATOM 1825 C VAL A 117 -11.690 4.633 -8.698 1.00 0.00 C ATOM 1826 O VAL A 117 -12.441 5.464 -8.187 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.143 3.609 -7.028 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.768 2.254 -7.322 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.696 3.453 -6.585 1.00 0.00 C ATOM 0 H VAL A 117 -9.769 6.152 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.646 4.090 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.701 4.070 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.696 1.620 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.817 2.387 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.240 1.782 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.651 2.803 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.113 3.014 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.286 4.430 -6.331 1.00 0.00 H new