USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 862 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 97 TYR OH : rot -130:sc= -1.8 USER MOD Set 1.2: A 115 HIS : no HE2:sc= -0.72 K(o=-2.5,f=-6.8!) USER MOD Set 2.1: A 2 LYS NZ :NH3+ -118:sc= 0.668 (180deg=0.144) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= -0.317 USER MOD Single : A 14 THR OG1 : rot -32:sc= 0.0522 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 27 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.37) USER MOD Single : A 30 THR OG1 : rot 27:sc= 0.558! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00312) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 167:sc= 0 (180deg=-0.209) USER MOD Single : A 62 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.5) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.0286 (180deg=-0.212) USER MOD Single : A 70 ASN : amide:sc= -4.94! C(o=-4.9!,f=-1.9!) USER MOD Single : A 71 SER OG : rot -17:sc= 0.895 USER MOD Single : A 74 SER OG : rot 128:sc= 0.896! USER MOD Single : A 80 THR OG1 : rot -82:sc= -2.64! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 70:sc= -2.91! USER MOD Single : A 114 LYS NZ :NH3+ 176:sc= -2.15! (180deg=-2.18!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.583 1.118 14.476 1.00 0.00 N ATOM 21 CA LYS A 2 -0.195 0.117 13.489 1.00 0.00 C ATOM 22 C LYS A 2 -1.350 -0.190 12.542 1.00 0.00 C ATOM 23 O LYS A 2 -2.131 -1.112 12.778 1.00 0.00 O ATOM 24 CB LYS A 2 0.263 -1.166 14.185 1.00 0.00 C ATOM 25 CG LYS A 2 1.437 -0.962 15.128 1.00 0.00 C ATOM 26 CD LYS A 2 2.624 -0.337 14.413 1.00 0.00 C ATOM 27 CE LYS A 2 3.942 -0.778 15.029 1.00 0.00 C ATOM 28 NZ LYS A 2 4.642 -1.784 14.183 1.00 0.00 N ATOM 0 HA LYS A 2 0.632 0.521 12.906 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.574 -1.584 14.745 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.539 -1.901 13.429 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.132 -0.323 15.957 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.732 -1.920 15.556 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.603 -0.615 13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.546 0.749 14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.586 0.090 15.168 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.758 -1.200 16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.739 -2.675 14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.091 -1.953 13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.585 -1.428 13.929 1.00 0.00 H new ATOM 42 N ARG A 3 -1.454 0.589 11.470 1.00 0.00 N ATOM 43 CA ARG A 3 -2.516 0.398 10.489 1.00 0.00 C ATOM 44 C ARG A 3 -2.002 0.647 9.074 1.00 0.00 C ATOM 45 O ARG A 3 -1.571 1.749 8.745 1.00 0.00 O ATOM 46 CB ARG A 3 -3.692 1.332 10.787 1.00 0.00 C ATOM 47 CG ARG A 3 -4.015 1.458 12.267 1.00 0.00 C ATOM 48 CD ARG A 3 -3.271 2.622 12.901 1.00 0.00 C ATOM 49 NE ARG A 3 -4.073 3.293 13.923 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.749 4.464 14.468 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.643 5.095 14.094 1.00 0.00 N ATOM 52 NH2 ARG A 3 -4.533 5.004 15.391 1.00 0.00 N ATOM 0 H ARG A 3 -0.817 1.357 11.259 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.855 -0.636 10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.468 2.321 10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.575 0.968 10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.088 1.597 12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.750 0.533 12.779 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.344 2.260 13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.994 3.339 12.128 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.930 2.838 14.237 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.036 4.683 13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.400 5.992 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.383 4.522 15.683 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.286 5.901 15.809 1.00 0.00 H new ATOM 66 N VAL A 4 -2.054 -0.385 8.242 1.00 0.00 N ATOM 67 CA VAL A 4 -1.596 -0.280 6.861 1.00 0.00 C ATOM 68 C VAL A 4 -2.739 -0.551 5.885 1.00 0.00 C ATOM 69 O VAL A 4 -3.751 -1.144 6.252 1.00 0.00 O ATOM 70 CB VAL A 4 -0.448 -1.266 6.576 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.194 -0.968 5.230 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.594 -1.214 7.685 1.00 0.00 C ATOM 0 H VAL A 4 -2.409 -1.306 8.499 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.233 0.738 6.721 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.865 -2.272 6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.003 -1.676 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.553 -1.060 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.594 0.046 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.396 -1.918 7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.004 -0.206 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.129 -1.480 8.634 1.00 0.00 H new ATOM 82 N LEU A 5 -2.571 -0.112 4.642 1.00 0.00 N ATOM 83 CA LEU A 5 -3.590 -0.312 3.618 1.00 0.00 C ATOM 84 C LEU A 5 -3.078 -1.233 2.514 1.00 0.00 C ATOM 85 O LEU A 5 -1.964 -1.065 2.020 1.00 0.00 O ATOM 86 CB LEU A 5 -4.012 1.031 3.018 1.00 0.00 C ATOM 87 CG LEU A 5 -5.176 0.957 2.029 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.439 0.489 2.733 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.400 2.307 1.367 1.00 0.00 C ATOM 0 H LEU A 5 -1.740 0.384 4.320 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.454 -0.781 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.286 1.705 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.153 1.473 2.513 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.926 0.234 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.259 0.441 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.272 -0.500 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.693 1.190 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.232 2.235 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.630 3.052 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.499 2.603 0.830 1.00 0.00 H new ATOM 101 N VAL A 6 -3.899 -2.206 2.132 1.00 0.00 N ATOM 102 CA VAL A 6 -3.523 -3.154 1.084 1.00 0.00 C ATOM 103 C VAL A 6 -4.397 -2.989 -0.156 1.00 0.00 C ATOM 104 O VAL A 6 -5.446 -3.623 -0.277 1.00 0.00 O ATOM 105 CB VAL A 6 -3.624 -4.610 1.577 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.069 -5.570 0.535 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.899 -4.776 2.904 1.00 0.00 C ATOM 0 H VAL A 6 -4.826 -2.360 2.529 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.487 -2.936 0.825 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.677 -4.848 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.150 -6.593 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.637 -5.471 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.022 -5.335 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.981 -5.811 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.848 -4.517 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.348 -4.119 3.649 1.00 0.00 H new ATOM 117 N VAL A 7 -3.956 -2.142 -1.079 1.00 0.00 N ATOM 118 CA VAL A 7 -4.700 -1.901 -2.311 1.00 0.00 C ATOM 119 C VAL A 7 -4.411 -2.988 -3.342 1.00 0.00 C ATOM 120 O VAL A 7 -3.299 -3.085 -3.860 1.00 0.00 O ATOM 121 CB VAL A 7 -4.356 -0.526 -2.915 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.239 -0.227 -4.117 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.489 0.566 -1.863 1.00 0.00 C ATOM 0 H VAL A 7 -3.089 -1.611 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.759 -1.918 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.321 -0.551 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.978 0.749 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.088 -0.992 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.284 -0.223 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.242 1.531 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.513 0.589 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.807 0.361 -1.038 1.00 0.00 H new ATOM 133 N ASP A 8 -5.419 -3.806 -3.633 1.00 0.00 N ATOM 134 CA ASP A 8 -5.267 -4.888 -4.599 1.00 0.00 C ATOM 135 C ASP A 8 -6.576 -5.149 -5.342 1.00 0.00 C ATOM 136 O ASP A 8 -7.651 -5.162 -4.743 1.00 0.00 O ATOM 137 CB ASP A 8 -4.796 -6.163 -3.893 1.00 0.00 C ATOM 138 CG ASP A 8 -4.660 -7.338 -4.842 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.584 -7.107 -6.067 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.630 -8.490 -4.360 1.00 0.00 O ATOM 0 H ASP A 8 -6.347 -3.740 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.517 -4.588 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.835 -5.975 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.502 -6.419 -3.103 1.00 0.00 H new ATOM 145 N ASP A 9 -6.472 -5.357 -6.651 1.00 0.00 N ATOM 146 CA ASP A 9 -7.641 -5.618 -7.486 1.00 0.00 C ATOM 147 C ASP A 9 -8.354 -6.895 -7.043 1.00 0.00 C ATOM 148 O ASP A 9 -9.361 -6.840 -6.338 1.00 0.00 O ATOM 149 CB ASP A 9 -7.226 -5.718 -8.958 1.00 0.00 C ATOM 150 CG ASP A 9 -8.371 -6.132 -9.864 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.516 -5.707 -9.604 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.121 -6.881 -10.831 1.00 0.00 O ATOM 0 H ASP A 9 -5.587 -5.350 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.337 -4.787 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.838 -4.754 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.414 -6.439 -9.054 1.00 0.00 H new ATOM 157 N GLU A 10 -7.829 -8.043 -7.461 1.00 0.00 N ATOM 158 CA GLU A 10 -8.423 -9.327 -7.104 1.00 0.00 C ATOM 159 C GLU A 10 -7.910 -9.809 -5.752 1.00 0.00 C ATOM 160 O GLU A 10 -6.895 -9.325 -5.252 1.00 0.00 O ATOM 161 CB GLU A 10 -8.119 -10.370 -8.181 1.00 0.00 C ATOM 162 CG GLU A 10 -9.158 -11.477 -8.268 1.00 0.00 C ATOM 163 CD GLU A 10 -9.808 -11.563 -9.635 1.00 0.00 C ATOM 164 OE1 GLU A 10 -10.054 -10.500 -10.243 1.00 0.00 O ATOM 165 OE2 GLU A 10 -10.072 -12.693 -10.097 1.00 0.00 O ATOM 0 H GLU A 10 -6.996 -8.110 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.502 -9.192 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.050 -9.872 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.144 -10.814 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.687 -12.431 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.927 -11.308 -7.514 1.00 0.00 H new ATOM 217 N THR A 14 -4.699 -10.394 -0.453 1.00 0.00 N ATOM 218 CA THR A 14 -5.551 -9.915 0.633 1.00 0.00 C ATOM 219 C THR A 14 -5.998 -11.061 1.539 1.00 0.00 C ATOM 220 O THR A 14 -6.259 -10.860 2.724 1.00 0.00 O ATOM 221 CB THR A 14 -6.775 -9.194 0.064 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.554 -10.076 -0.724 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.418 -8.002 -0.796 1.00 0.00 C ATOM 0 HA THR A 14 -4.966 -9.218 1.233 1.00 0.00 H new ATOM 0 HB THR A 14 -7.334 -8.842 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.968 -10.727 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.330 -7.536 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.857 -7.280 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.809 -8.330 -1.638 1.00 0.00 H new ATOM 231 N SER A 15 -6.086 -12.262 0.975 1.00 0.00 N ATOM 232 CA SER A 15 -6.502 -13.433 1.737 1.00 0.00 C ATOM 233 C SER A 15 -5.342 -13.995 2.554 1.00 0.00 C ATOM 234 O SER A 15 -5.448 -14.162 3.769 1.00 0.00 O ATOM 235 CB SER A 15 -7.049 -14.511 0.798 1.00 0.00 C ATOM 236 OG SER A 15 -7.381 -15.690 1.513 1.00 0.00 O ATOM 0 H SER A 15 -5.875 -12.449 -0.005 1.00 0.00 H new ATOM 0 HA SER A 15 -7.290 -13.125 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.932 -14.134 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.307 -14.742 0.033 1.00 0.00 H new ATOM 0 HG SER A 15 -7.729 -16.363 0.891 1.00 0.00 H new ATOM 242 N SER A 16 -4.235 -14.286 1.878 1.00 0.00 N ATOM 243 CA SER A 16 -3.055 -14.830 2.541 1.00 0.00 C ATOM 244 C SER A 16 -2.399 -13.781 3.433 1.00 0.00 C ATOM 245 O SER A 16 -2.331 -13.944 4.651 1.00 0.00 O ATOM 246 CB SER A 16 -2.050 -15.335 1.505 1.00 0.00 C ATOM 247 OG SER A 16 -2.671 -16.198 0.569 1.00 0.00 O ATOM 0 H SER A 16 -4.130 -14.154 0.872 1.00 0.00 H new ATOM 0 HA SER A 16 -3.373 -15.664 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.605 -14.488 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.239 -15.862 2.008 1.00 0.00 H new ATOM 0 HG SER A 16 -2.007 -16.505 -0.083 1.00 0.00 H new ATOM 253 N LEU A 17 -1.921 -12.703 2.816 1.00 0.00 N ATOM 254 CA LEU A 17 -1.268 -11.618 3.541 1.00 0.00 C ATOM 255 C LEU A 17 -2.054 -11.235 4.793 1.00 0.00 C ATOM 256 O LEU A 17 -1.479 -11.072 5.869 1.00 0.00 O ATOM 257 CB LEU A 17 -1.101 -10.402 2.616 1.00 0.00 C ATOM 258 CG LEU A 17 -0.866 -9.053 3.310 1.00 0.00 C ATOM 259 CD1 LEU A 17 -2.191 -8.423 3.713 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.036 -9.219 4.523 1.00 0.00 C ATOM 0 H LEU A 17 -1.975 -12.558 1.808 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.285 -11.962 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.263 -10.593 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.993 -10.318 1.995 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.368 -8.389 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.005 -7.467 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.802 -8.262 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.716 -9.087 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.188 -8.250 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.431 -9.902 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.998 -9.624 4.208 1.00 0.00 H new ATOM 272 N SER A 18 -3.367 -11.089 4.650 1.00 0.00 N ATOM 273 CA SER A 18 -4.220 -10.717 5.776 1.00 0.00 C ATOM 274 C SER A 18 -3.867 -11.516 7.030 1.00 0.00 C ATOM 275 O SER A 18 -3.884 -10.987 8.141 1.00 0.00 O ATOM 276 CB SER A 18 -5.694 -10.921 5.418 1.00 0.00 C ATOM 277 OG SER A 18 -6.498 -10.988 6.583 1.00 0.00 O ATOM 0 H SER A 18 -3.864 -11.222 3.769 1.00 0.00 H new ATOM 0 HA SER A 18 -4.048 -9.662 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.034 -10.102 4.784 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.808 -11.839 4.841 1.00 0.00 H new ATOM 0 HG SER A 18 -7.435 -11.117 6.327 1.00 0.00 H new ATOM 283 N ALA A 19 -3.534 -12.789 6.849 1.00 0.00 N ATOM 284 CA ALA A 19 -3.164 -13.642 7.972 1.00 0.00 C ATOM 285 C ALA A 19 -1.836 -13.191 8.566 1.00 0.00 C ATOM 286 O ALA A 19 -1.641 -13.210 9.781 1.00 0.00 O ATOM 287 CB ALA A 19 -3.080 -15.092 7.527 1.00 0.00 C ATOM 0 H ALA A 19 -3.513 -13.251 5.940 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.933 -13.558 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.803 -15.718 8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.049 -15.411 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.328 -15.189 6.744 1.00 0.00 H new ATOM 293 N ILE A 20 -0.930 -12.784 7.687 1.00 0.00 N ATOM 294 CA ILE A 20 0.392 -12.317 8.088 1.00 0.00 C ATOM 295 C ILE A 20 0.304 -10.989 8.831 1.00 0.00 C ATOM 296 O ILE A 20 0.555 -10.920 10.032 1.00 0.00 O ATOM 297 CB ILE A 20 1.303 -12.157 6.855 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.612 -13.523 6.257 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.585 -11.418 7.212 1.00 0.00 C ATOM 300 CD1 ILE A 20 0.827 -13.810 4.998 1.00 0.00 C ATOM 0 H ILE A 20 -1.089 -12.768 6.680 1.00 0.00 H new ATOM 0 HA ILE A 20 0.818 -13.064 8.758 1.00 0.00 H new ATOM 0 HB ILE A 20 0.776 -11.559 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.678 -13.583 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.396 -14.294 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.208 -11.320 6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.339 -10.427 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.127 -11.977 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.092 -14.798 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.240 -13.781 5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.062 -13.059 4.244 1.00 0.00 H new ATOM 312 N LEU A 21 -0.063 -9.940 8.105 1.00 0.00 N ATOM 313 CA LEU A 21 -0.201 -8.611 8.684 1.00 0.00 C ATOM 314 C LEU A 21 -1.031 -8.675 9.973 1.00 0.00 C ATOM 315 O LEU A 21 -0.856 -7.852 10.872 1.00 0.00 O ATOM 316 CB LEU A 21 -0.795 -7.660 7.629 1.00 0.00 C ATOM 317 CG LEU A 21 -2.233 -7.262 7.829 1.00 0.00 C ATOM 318 CD1 LEU A 21 -3.107 -8.498 7.829 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.358 -6.476 9.118 1.00 0.00 C ATOM 0 H LEU A 21 -0.271 -9.986 7.108 1.00 0.00 H new ATOM 0 HA LEU A 21 0.774 -8.216 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.189 -6.754 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.703 -8.132 6.651 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.569 -6.623 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.148 -8.208 7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.004 -9.016 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.799 -9.161 8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.398 -6.185 9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.030 -7.094 9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.736 -5.583 9.061 1.00 0.00 H new ATOM 331 N GLU A 22 -1.915 -9.667 10.068 1.00 0.00 N ATOM 332 CA GLU A 22 -2.744 -9.834 11.258 1.00 0.00 C ATOM 333 C GLU A 22 -1.924 -10.377 12.424 1.00 0.00 C ATOM 334 O GLU A 22 -2.234 -10.115 13.587 1.00 0.00 O ATOM 335 CB GLU A 22 -3.915 -10.771 10.974 1.00 0.00 C ATOM 336 CG GLU A 22 -5.168 -10.058 10.492 1.00 0.00 C ATOM 337 CD GLU A 22 -6.366 -10.982 10.398 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.909 -11.359 11.458 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.761 -11.330 9.265 1.00 0.00 O ATOM 0 H GLU A 22 -2.074 -10.363 9.339 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.132 -8.852 11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.611 -11.500 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.151 -11.328 11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.399 -9.238 11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.977 -9.617 9.514 1.00 0.00 H new ATOM 346 N GLU A 23 -0.875 -11.133 12.110 1.00 0.00 N ATOM 347 CA GLU A 23 -0.016 -11.707 13.133 1.00 0.00 C ATOM 348 C GLU A 23 0.979 -10.669 13.639 1.00 0.00 C ATOM 349 O GLU A 23 1.307 -10.635 14.826 1.00 0.00 O ATOM 350 CB GLU A 23 0.721 -12.928 12.571 1.00 0.00 C ATOM 351 CG GLU A 23 1.886 -13.391 13.429 1.00 0.00 C ATOM 352 CD GLU A 23 1.885 -14.890 13.659 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.977 -15.642 12.666 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.793 -15.312 14.831 1.00 0.00 O ATOM 0 H GLU A 23 -0.602 -11.360 11.154 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.634 -12.025 13.973 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.013 -13.750 12.463 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.089 -12.691 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.822 -13.102 12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.849 -12.880 14.391 1.00 0.00 H new ATOM 361 N GLU A 24 1.457 -9.824 12.732 1.00 0.00 N ATOM 362 CA GLU A 24 2.415 -8.787 13.092 1.00 0.00 C ATOM 363 C GLU A 24 1.798 -7.774 14.057 1.00 0.00 C ATOM 364 O GLU A 24 2.513 -7.021 14.717 1.00 0.00 O ATOM 365 CB GLU A 24 2.922 -8.072 11.841 1.00 0.00 C ATOM 366 CG GLU A 24 4.141 -8.731 11.213 1.00 0.00 C ATOM 367 CD GLU A 24 3.948 -10.217 10.974 1.00 0.00 C ATOM 368 OE1 GLU A 24 3.655 -10.942 11.948 1.00 0.00 O ATOM 369 OE2 GLU A 24 4.094 -10.655 9.815 1.00 0.00 O ATOM 0 H GLU A 24 1.197 -9.837 11.746 1.00 0.00 H new ATOM 0 HA GLU A 24 3.254 -9.269 13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.120 -8.035 11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.168 -7.041 12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.365 -8.241 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.004 -8.581 11.862 1.00 0.00 H new ATOM 376 N GLY A 25 0.470 -7.760 14.133 1.00 0.00 N ATOM 377 CA GLY A 25 -0.212 -6.833 15.018 1.00 0.00 C ATOM 378 C GLY A 25 -0.465 -5.493 14.359 1.00 0.00 C ATOM 379 O GLY A 25 0.096 -4.476 14.769 1.00 0.00 O ATOM 0 H GLY A 25 -0.145 -8.373 13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.161 -7.266 15.333 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.385 -6.686 15.918 1.00 0.00 H new ATOM 383 N TYR A 26 -1.303 -5.494 13.329 1.00 0.00 N ATOM 384 CA TYR A 26 -1.623 -4.271 12.602 1.00 0.00 C ATOM 385 C TYR A 26 -3.113 -4.190 12.287 1.00 0.00 C ATOM 386 O TYR A 26 -3.893 -5.061 12.671 1.00 0.00 O ATOM 387 CB TYR A 26 -0.829 -4.214 11.297 1.00 0.00 C ATOM 388 CG TYR A 26 0.644 -3.939 11.481 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.476 -4.868 12.092 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.203 -2.749 11.040 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.824 -4.615 12.258 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.549 -2.490 11.202 1.00 0.00 C ATOM 393 CZ TYR A 26 3.355 -3.425 11.813 1.00 0.00 C ATOM 394 OH TYR A 26 4.698 -3.170 11.977 1.00 0.00 O ATOM 0 H TYR A 26 -1.773 -6.328 12.978 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.354 -3.426 13.236 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.947 -5.161 10.771 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.255 -3.440 10.659 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.063 -5.802 12.443 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.574 -2.012 10.562 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.459 -5.347 12.735 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.968 -1.559 10.851 1.00 0.00 H new ATOM 0 HH TYR A 26 4.911 -2.288 11.608 1.00 0.00 H new ATOM 404 N HIS A 27 -3.493 -3.139 11.569 1.00 0.00 N ATOM 405 CA HIS A 27 -4.880 -2.931 11.173 1.00 0.00 C ATOM 406 C HIS A 27 -4.956 -2.698 9.666 1.00 0.00 C ATOM 407 O HIS A 27 -4.827 -1.568 9.196 1.00 0.00 O ATOM 408 CB HIS A 27 -5.478 -1.738 11.924 1.00 0.00 C ATOM 409 CG HIS A 27 -6.735 -2.068 12.665 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.625 -3.035 12.246 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.252 -1.556 13.807 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.635 -3.102 13.096 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.432 -2.215 14.052 1.00 0.00 N ATOM 0 H HIS A 27 -2.853 -2.412 11.247 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.457 -3.821 11.427 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.740 -1.356 12.629 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.684 -0.938 11.213 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.817 -0.775 14.413 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.481 -3.769 13.021 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.051 -2.046 14.845 1.00 0.00 H new ATOM 422 N PRO A 28 -5.152 -3.773 8.882 1.00 0.00 N ATOM 423 CA PRO A 28 -5.226 -3.683 7.429 1.00 0.00 C ATOM 424 C PRO A 28 -6.616 -3.317 6.928 1.00 0.00 C ATOM 425 O PRO A 28 -7.618 -3.881 7.367 1.00 0.00 O ATOM 426 CB PRO A 28 -4.839 -5.086 6.979 1.00 0.00 C ATOM 427 CG PRO A 28 -5.274 -5.986 8.088 1.00 0.00 C ATOM 428 CD PRO A 28 -5.304 -5.161 9.353 1.00 0.00 C ATOM 0 HA PRO A 28 -4.582 -2.897 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.331 -5.349 6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.765 -5.163 6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.259 -6.404 7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.587 -6.825 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.240 -5.297 9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.498 -5.442 10.031 1.00 0.00 H new ATOM 436 N ASP A 29 -6.664 -2.363 6.007 1.00 0.00 N ATOM 437 CA ASP A 29 -7.937 -1.916 5.449 1.00 0.00 C ATOM 438 C ASP A 29 -8.109 -2.331 3.998 1.00 0.00 C ATOM 439 O ASP A 29 -9.058 -1.915 3.339 1.00 0.00 O ATOM 440 CB ASP A 29 -8.094 -0.408 5.599 1.00 0.00 C ATOM 441 CG ASP A 29 -9.429 -0.027 6.210 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.626 -0.286 7.416 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.278 0.531 5.483 1.00 0.00 O ATOM 0 H ASP A 29 -5.844 -1.886 5.632 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.724 -2.409 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.288 -0.021 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.996 0.064 4.622 1.00 0.00 H new ATOM 448 N THR A 30 -7.172 -3.143 3.523 1.00 0.00 N ATOM 449 CA THR A 30 -7.149 -3.657 2.143 1.00 0.00 C ATOM 450 C THR A 30 -8.221 -3.050 1.241 1.00 0.00 C ATOM 451 O THR A 30 -9.418 -3.152 1.513 1.00 0.00 O ATOM 452 CB THR A 30 -7.290 -5.175 2.138 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.629 -5.557 2.400 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.407 -5.865 3.154 1.00 0.00 C ATOM 0 H THR A 30 -6.390 -3.473 4.089 1.00 0.00 H new ATOM 0 HA THR A 30 -6.183 -3.360 1.734 1.00 0.00 H new ATOM 0 HB THR A 30 -6.978 -5.488 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.235 -4.841 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.558 -6.943 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.363 -5.633 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.663 -5.517 4.155 1.00 0.00 H new ATOM 462 N ALA A 31 -7.775 -2.437 0.153 1.00 0.00 N ATOM 463 CA ALA A 31 -8.681 -1.823 -0.807 1.00 0.00 C ATOM 464 C ALA A 31 -8.802 -2.671 -2.068 1.00 0.00 C ATOM 465 O ALA A 31 -8.320 -3.802 -2.119 1.00 0.00 O ATOM 466 CB ALA A 31 -8.206 -0.420 -1.156 1.00 0.00 C ATOM 0 H ALA A 31 -6.787 -2.352 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.668 -1.758 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.892 0.028 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.177 0.190 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.208 -0.471 -1.591 1.00 0.00 H new ATOM 472 N LYS A 32 -9.455 -2.115 -3.084 1.00 0.00 N ATOM 473 CA LYS A 32 -9.650 -2.809 -4.345 1.00 0.00 C ATOM 474 C LYS A 32 -8.709 -2.256 -5.415 1.00 0.00 C ATOM 475 O LYS A 32 -8.100 -3.011 -6.171 1.00 0.00 O ATOM 476 CB LYS A 32 -11.112 -2.669 -4.778 1.00 0.00 C ATOM 477 CG LYS A 32 -11.355 -3.026 -6.227 1.00 0.00 C ATOM 478 CD LYS A 32 -12.829 -2.934 -6.589 1.00 0.00 C ATOM 479 CE LYS A 32 -13.074 -3.325 -8.038 1.00 0.00 C ATOM 480 NZ LYS A 32 -13.929 -2.330 -8.744 1.00 0.00 N ATOM 0 H LYS A 32 -9.859 -1.179 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.417 -3.866 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.731 -3.307 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.435 -1.642 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.780 -2.357 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.996 -4.037 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.407 -3.585 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.183 -1.917 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.119 -3.416 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.551 -4.304 -8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.073 -2.632 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.850 -2.261 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.462 -1.401 -8.732 1.00 0.00 H new ATOM 494 N THR A 33 -8.589 -0.936 -5.465 1.00 0.00 N ATOM 495 CA THR A 33 -7.717 -0.279 -6.431 1.00 0.00 C ATOM 496 C THR A 33 -7.410 1.144 -5.984 1.00 0.00 C ATOM 497 O THR A 33 -7.696 1.519 -4.848 1.00 0.00 O ATOM 498 CB THR A 33 -8.361 -0.265 -7.820 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.322 -1.295 -7.938 1.00 0.00 O ATOM 500 CG2 THR A 33 -7.363 -0.441 -8.944 1.00 0.00 C ATOM 0 H THR A 33 -9.087 -0.296 -4.845 1.00 0.00 H new ATOM 0 HA THR A 33 -6.785 -0.841 -6.487 1.00 0.00 H new ATOM 0 HB THR A 33 -8.822 0.718 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.723 -1.268 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.885 -0.422 -9.901 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.633 0.368 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.851 -1.396 -8.830 1.00 0.00 H new ATOM 508 N LEU A 34 -6.829 1.934 -6.878 1.00 0.00 N ATOM 509 CA LEU A 34 -6.489 3.315 -6.561 1.00 0.00 C ATOM 510 C LEU A 34 -7.748 4.149 -6.359 1.00 0.00 C ATOM 511 O LEU A 34 -7.906 4.811 -5.333 1.00 0.00 O ATOM 512 CB LEU A 34 -5.622 3.915 -7.667 1.00 0.00 C ATOM 513 CG LEU A 34 -4.365 3.109 -8.003 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.733 3.612 -9.292 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.369 3.173 -6.852 1.00 0.00 C ATOM 0 H LEU A 34 -6.584 1.644 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.922 3.324 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.225 4.014 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.324 4.921 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.652 2.068 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.841 3.026 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.446 3.510 -10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.459 4.661 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.481 2.595 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.087 4.210 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.825 2.760 -5.953 1.00 0.00 H new ATOM 527 N ARG A 35 -8.649 4.109 -7.336 1.00 0.00 N ATOM 528 CA ARG A 35 -9.897 4.859 -7.245 1.00 0.00 C ATOM 529 C ARG A 35 -10.665 4.451 -5.992 1.00 0.00 C ATOM 530 O ARG A 35 -11.153 5.300 -5.243 1.00 0.00 O ATOM 531 CB ARG A 35 -10.756 4.624 -8.490 1.00 0.00 C ATOM 532 CG ARG A 35 -11.024 3.158 -8.781 1.00 0.00 C ATOM 533 CD ARG A 35 -11.337 2.931 -10.252 1.00 0.00 C ATOM 534 NE ARG A 35 -11.608 1.526 -10.546 1.00 0.00 N ATOM 535 CZ ARG A 35 -12.177 1.100 -11.671 1.00 0.00 C ATOM 536 NH1 ARG A 35 -12.539 1.967 -12.609 1.00 0.00 N ATOM 537 NH2 ARG A 35 -12.387 -0.196 -11.859 1.00 0.00 N ATOM 0 H ARG A 35 -8.540 3.569 -8.194 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.659 5.921 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.708 5.140 -8.366 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.261 5.071 -9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.155 2.565 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.859 2.812 -8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.200 3.533 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.497 3.272 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.346 0.830 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.381 2.965 -12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.975 1.635 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.112 -0.867 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.823 -0.522 -12.721 1.00 0.00 H new ATOM 551 N GLU A 36 -10.753 3.144 -5.763 1.00 0.00 N ATOM 552 CA GLU A 36 -11.446 2.621 -4.595 1.00 0.00 C ATOM 553 C GLU A 36 -10.663 2.941 -3.326 1.00 0.00 C ATOM 554 O GLU A 36 -11.246 3.210 -2.275 1.00 0.00 O ATOM 555 CB GLU A 36 -11.646 1.107 -4.723 1.00 0.00 C ATOM 556 CG GLU A 36 -12.624 0.535 -3.711 1.00 0.00 C ATOM 557 CD GLU A 36 -13.926 0.084 -4.346 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.776 0.951 -4.636 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.095 -1.136 -4.551 1.00 0.00 O ATOM 0 H GLU A 36 -10.353 2.430 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.424 3.098 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.002 0.880 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.683 0.610 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.161 -0.310 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.836 1.287 -2.951 1.00 0.00 H new ATOM 566 N ALA A 37 -9.336 2.922 -3.432 1.00 0.00 N ATOM 567 CA ALA A 37 -8.479 3.220 -2.294 1.00 0.00 C ATOM 568 C ALA A 37 -8.595 4.686 -1.907 1.00 0.00 C ATOM 569 O ALA A 37 -8.540 5.032 -0.727 1.00 0.00 O ATOM 570 CB ALA A 37 -7.032 2.866 -2.605 1.00 0.00 C ATOM 0 H ALA A 37 -8.835 2.704 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.808 2.613 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.408 3.096 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.958 1.803 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.692 3.445 -3.463 1.00 0.00 H new ATOM 576 N GLU A 38 -8.775 5.545 -2.905 1.00 0.00 N ATOM 577 CA GLU A 38 -8.918 6.969 -2.655 1.00 0.00 C ATOM 578 C GLU A 38 -10.186 7.228 -1.858 1.00 0.00 C ATOM 579 O GLU A 38 -10.184 8.002 -0.902 1.00 0.00 O ATOM 580 CB GLU A 38 -8.951 7.747 -3.970 1.00 0.00 C ATOM 581 CG GLU A 38 -7.615 7.775 -4.694 1.00 0.00 C ATOM 582 CD GLU A 38 -7.752 8.150 -6.157 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.850 7.958 -6.719 1.00 0.00 O ATOM 584 OE2 GLU A 38 -6.760 8.637 -6.739 1.00 0.00 O ATOM 0 H GLU A 38 -8.825 5.279 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.058 7.310 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.701 7.304 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.267 8.771 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.954 8.487 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.143 6.795 -4.617 1.00 0.00 H new ATOM 591 N LYS A 39 -11.265 6.556 -2.246 1.00 0.00 N ATOM 592 CA LYS A 39 -12.536 6.697 -1.550 1.00 0.00 C ATOM 593 C LYS A 39 -12.366 6.317 -0.083 1.00 0.00 C ATOM 594 O LYS A 39 -12.928 6.956 0.807 1.00 0.00 O ATOM 595 CB LYS A 39 -13.604 5.818 -2.204 1.00 0.00 C ATOM 596 CG LYS A 39 -14.944 5.852 -1.490 1.00 0.00 C ATOM 597 CD LYS A 39 -14.980 4.871 -0.330 1.00 0.00 C ATOM 598 CE LYS A 39 -16.357 4.249 -0.168 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.388 5.265 0.180 1.00 0.00 N ATOM 0 H LYS A 39 -11.284 5.911 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.859 7.736 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.744 6.139 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.245 4.789 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.136 6.860 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.740 5.613 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.242 4.086 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.701 5.384 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.640 3.747 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.322 3.487 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.306 4.796 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.115 5.750 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.464 5.960 -0.590 1.00 0.00 H new ATOM 613 N LYS A 40 -11.572 5.276 0.158 1.00 0.00 N ATOM 614 CA LYS A 40 -11.310 4.813 1.513 1.00 0.00 C ATOM 615 C LYS A 40 -10.397 5.789 2.249 1.00 0.00 C ATOM 616 O LYS A 40 -10.689 6.205 3.370 1.00 0.00 O ATOM 617 CB LYS A 40 -10.676 3.423 1.488 1.00 0.00 C ATOM 618 CG LYS A 40 -11.649 2.316 1.115 1.00 0.00 C ATOM 619 CD LYS A 40 -11.779 1.288 2.229 1.00 0.00 C ATOM 620 CE LYS A 40 -12.740 0.173 1.849 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.746 -0.923 2.856 1.00 0.00 N ATOM 0 H LYS A 40 -11.100 4.739 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.261 4.758 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.849 3.423 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.253 3.208 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.627 2.747 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.310 1.825 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.799 0.865 2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.129 1.777 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.746 0.580 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.461 -0.230 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.414 -1.663 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.792 -1.329 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.037 -0.544 3.780 1.00 0.00 H new ATOM 635 N ILE A 41 -9.287 6.152 1.607 1.00 0.00 N ATOM 636 CA ILE A 41 -8.331 7.080 2.202 1.00 0.00 C ATOM 637 C ILE A 41 -8.956 8.458 2.403 1.00 0.00 C ATOM 638 O ILE A 41 -8.553 9.210 3.291 1.00 0.00 O ATOM 639 CB ILE A 41 -7.068 7.222 1.329 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.488 5.844 1.001 1.00 0.00 C ATOM 641 CG2 ILE A 41 -6.028 8.088 2.028 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.921 5.743 -0.398 1.00 0.00 C ATOM 0 H ILE A 41 -9.030 5.818 0.678 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.049 6.667 3.171 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.347 7.710 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.703 5.609 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.268 5.092 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.144 8.176 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.443 9.079 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.751 7.629 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.528 4.739 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.707 5.946 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.119 6.471 -0.519 1.00 0.00 H new ATOM 654 N LYS A 42 -9.942 8.785 1.571 1.00 0.00 N ATOM 655 CA LYS A 42 -10.624 10.074 1.653 1.00 0.00 C ATOM 656 C LYS A 42 -11.068 10.377 3.082 1.00 0.00 C ATOM 657 O LYS A 42 -11.180 11.539 3.473 1.00 0.00 O ATOM 658 CB LYS A 42 -11.831 10.096 0.718 1.00 0.00 C ATOM 659 CG LYS A 42 -11.479 10.425 -0.724 1.00 0.00 C ATOM 660 CD LYS A 42 -12.259 11.629 -1.231 1.00 0.00 C ATOM 661 CE LYS A 42 -11.382 12.869 -1.310 1.00 0.00 C ATOM 662 NZ LYS A 42 -10.730 13.004 -2.643 1.00 0.00 N ATOM 0 H LYS A 42 -10.287 8.174 0.831 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.917 10.845 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.323 9.124 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.550 10.829 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.410 10.624 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.689 9.562 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.669 11.409 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.104 11.821 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.986 13.754 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.617 12.823 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.141 13.861 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.134 12.171 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.460 13.074 -3.381 1.00 0.00 H new ATOM 676 N GLU A 43 -11.319 9.326 3.856 1.00 0.00 N ATOM 677 CA GLU A 43 -11.750 9.482 5.238 1.00 0.00 C ATOM 678 C GLU A 43 -10.819 8.735 6.189 1.00 0.00 C ATOM 679 O GLU A 43 -10.460 9.246 7.250 1.00 0.00 O ATOM 680 CB GLU A 43 -13.184 8.977 5.407 1.00 0.00 C ATOM 681 CG GLU A 43 -14.190 9.698 4.526 1.00 0.00 C ATOM 682 CD GLU A 43 -15.587 9.121 4.642 1.00 0.00 C ATOM 683 OE1 GLU A 43 -16.241 9.355 5.681 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.027 8.435 3.696 1.00 0.00 O ATOM 0 H GLU A 43 -11.231 8.358 3.548 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.714 10.543 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.214 7.911 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.480 9.090 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.213 10.754 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.863 9.643 3.488 1.00 0.00 H new ATOM 691 N LEU A 44 -10.432 7.525 5.802 1.00 0.00 N ATOM 692 CA LEU A 44 -9.543 6.708 6.620 1.00 0.00 C ATOM 693 C LEU A 44 -8.090 7.143 6.448 1.00 0.00 C ATOM 694 O LEU A 44 -7.518 7.018 5.366 1.00 0.00 O ATOM 695 CB LEU A 44 -9.696 5.229 6.254 1.00 0.00 C ATOM 696 CG LEU A 44 -10.332 4.356 7.336 1.00 0.00 C ATOM 697 CD1 LEU A 44 -9.499 4.391 8.608 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.756 4.811 7.618 1.00 0.00 C ATOM 0 H LEU A 44 -10.720 7.088 4.927 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.821 6.846 7.665 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.298 5.155 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.712 4.826 6.016 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.364 3.328 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.967 3.764 9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.497 4.018 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.435 5.416 8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.194 4.179 8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.746 5.846 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.350 4.734 6.707 1.00 0.00 H new ATOM 710 N PHE A 45 -7.499 7.650 7.525 1.00 0.00 N ATOM 711 CA PHE A 45 -6.112 8.101 7.495 1.00 0.00 C ATOM 712 C PHE A 45 -5.157 6.918 7.625 1.00 0.00 C ATOM 713 O PHE A 45 -4.940 6.400 8.721 1.00 0.00 O ATOM 714 CB PHE A 45 -5.855 9.103 8.621 1.00 0.00 C ATOM 715 CG PHE A 45 -4.519 9.784 8.529 1.00 0.00 C ATOM 716 CD1 PHE A 45 -4.361 10.926 7.761 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.422 9.281 9.211 1.00 0.00 C ATOM 718 CE1 PHE A 45 -3.133 11.555 7.674 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.193 9.907 9.127 1.00 0.00 C ATOM 720 CZ PHE A 45 -2.048 11.045 8.358 1.00 0.00 C ATOM 0 H PHE A 45 -7.958 7.759 8.429 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.934 8.589 6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.640 9.859 8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.925 8.586 9.578 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.207 11.330 7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.529 8.391 9.814 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.023 12.444 7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.345 9.506 9.663 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.088 11.535 8.292 1.00 0.00 H new ATOM 730 N PHE A 46 -4.593 6.491 6.499 1.00 0.00 N ATOM 731 CA PHE A 46 -3.666 5.366 6.491 1.00 0.00 C ATOM 732 C PHE A 46 -2.215 5.846 6.514 1.00 0.00 C ATOM 733 O PHE A 46 -1.771 6.538 5.598 1.00 0.00 O ATOM 734 CB PHE A 46 -3.894 4.496 5.253 1.00 0.00 C ATOM 735 CG PHE A 46 -5.229 3.811 5.236 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.637 3.027 6.303 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.076 3.953 4.151 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.868 2.398 6.287 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.307 3.326 4.127 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.704 2.549 5.197 1.00 0.00 C ATOM 0 H PHE A 46 -4.762 6.906 5.583 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.853 4.777 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.802 5.117 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.108 3.743 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.986 2.906 7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.771 4.562 3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.176 1.790 7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.957 3.443 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.667 2.060 5.182 1.00 0.00 H new ATOM 750 N PRO A 47 -1.450 5.475 7.557 1.00 0.00 N ATOM 751 CA PRO A 47 -0.043 5.862 7.677 1.00 0.00 C ATOM 752 C PRO A 47 0.843 5.096 6.700 1.00 0.00 C ATOM 753 O PRO A 47 1.975 5.493 6.424 1.00 0.00 O ATOM 754 CB PRO A 47 0.305 5.484 9.117 1.00 0.00 C ATOM 755 CG PRO A 47 -0.618 4.363 9.444 1.00 0.00 C ATOM 756 CD PRO A 47 -1.891 4.639 8.690 1.00 0.00 C ATOM 0 HA PRO A 47 0.115 6.916 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.347 5.178 9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.161 6.326 9.794 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.189 3.406 9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.804 4.311 10.517 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.362 3.717 8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.620 5.159 9.311 1.00 0.00 H new ATOM 764 N VAL A 48 0.321 3.990 6.181 1.00 0.00 N ATOM 765 CA VAL A 48 1.054 3.163 5.238 1.00 0.00 C ATOM 766 C VAL A 48 0.121 2.495 4.236 1.00 0.00 C ATOM 767 O VAL A 48 -0.890 1.905 4.611 1.00 0.00 O ATOM 768 CB VAL A 48 1.845 2.075 5.973 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.922 1.484 5.079 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.439 2.647 7.240 1.00 0.00 C ATOM 0 H VAL A 48 -0.614 3.646 6.401 1.00 0.00 H new ATOM 0 HA VAL A 48 1.738 3.822 4.702 1.00 0.00 H new ATOM 0 HB VAL A 48 1.166 1.265 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.467 0.715 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.460 1.043 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.612 2.270 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.001 1.872 7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.106 3.472 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.639 3.011 7.885 1.00 0.00 H new ATOM 780 N ILE A 49 0.481 2.583 2.965 1.00 0.00 N ATOM 781 CA ILE A 49 -0.300 1.975 1.897 1.00 0.00 C ATOM 782 C ILE A 49 0.517 0.883 1.217 1.00 0.00 C ATOM 783 O ILE A 49 1.742 0.866 1.324 1.00 0.00 O ATOM 784 CB ILE A 49 -0.732 3.014 0.843 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.250 4.285 1.521 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.794 2.426 -0.075 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.504 4.066 2.338 1.00 0.00 C ATOM 0 H ILE A 49 1.316 3.074 2.645 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.198 1.550 2.346 1.00 0.00 H new ATOM 0 HB ILE A 49 0.137 3.278 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.470 4.686 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.450 5.038 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.089 3.171 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.391 1.550 -0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.664 2.135 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.814 5.009 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.299 3.695 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.304 3.337 3.123 1.00 0.00 H new ATOM 799 N VAL A 50 -0.154 -0.026 0.520 1.00 0.00 N ATOM 800 CA VAL A 50 0.540 -1.109 -0.163 1.00 0.00 C ATOM 801 C VAL A 50 -0.248 -1.592 -1.371 1.00 0.00 C ATOM 802 O VAL A 50 -1.194 -2.369 -1.245 1.00 0.00 O ATOM 803 CB VAL A 50 0.799 -2.296 0.782 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.530 -3.418 0.057 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.591 -1.833 1.991 1.00 0.00 C ATOM 0 H VAL A 50 -1.168 -0.035 0.414 1.00 0.00 H new ATOM 0 HA VAL A 50 1.497 -0.709 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.161 -2.687 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.701 -4.245 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.926 -3.764 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.487 -3.049 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.770 -2.679 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.545 -1.420 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.027 -1.067 2.524 1.00 0.00 H new ATOM 815 N LEU A 51 0.153 -1.121 -2.540 1.00 0.00 N ATOM 816 CA LEU A 51 -0.505 -1.494 -3.784 1.00 0.00 C ATOM 817 C LEU A 51 -0.198 -2.942 -4.150 1.00 0.00 C ATOM 818 O LEU A 51 0.728 -3.548 -3.609 1.00 0.00 O ATOM 819 CB LEU A 51 -0.072 -0.563 -4.919 1.00 0.00 C ATOM 820 CG LEU A 51 -0.967 -0.590 -6.160 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.422 -0.364 -5.776 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.511 0.456 -7.166 1.00 0.00 C ATOM 0 H LEU A 51 0.935 -0.476 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.581 -1.396 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.038 0.457 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.943 -0.826 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.885 -1.573 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.042 -0.387 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.744 -1.149 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.523 0.606 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.158 0.424 -8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.564 1.445 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.517 0.249 -7.465 1.00 0.00 H new ATOM 834 N ASP A 52 -0.981 -3.486 -5.072 1.00 0.00 N ATOM 835 CA ASP A 52 -0.802 -4.862 -5.521 1.00 0.00 C ATOM 836 C ASP A 52 -1.305 -5.027 -6.950 1.00 0.00 C ATOM 837 O ASP A 52 -2.184 -5.845 -7.222 1.00 0.00 O ATOM 838 CB ASP A 52 -1.541 -5.826 -4.589 1.00 0.00 C ATOM 839 CG ASP A 52 -0.859 -7.176 -4.494 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.371 -7.206 -4.282 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.555 -8.204 -4.635 1.00 0.00 O ATOM 0 H ASP A 52 -1.750 -2.993 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 52 0.262 -5.096 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.608 -5.385 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.562 -5.962 -4.947 1.00 0.00 H new ATOM 846 N VAL A 53 -0.740 -4.235 -7.858 1.00 0.00 N ATOM 847 CA VAL A 53 -1.119 -4.270 -9.267 1.00 0.00 C ATOM 848 C VAL A 53 -1.249 -5.701 -9.791 1.00 0.00 C ATOM 849 O VAL A 53 -0.279 -6.287 -10.271 1.00 0.00 O ATOM 850 CB VAL A 53 -0.095 -3.507 -10.133 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.532 -3.476 -11.591 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.107 -2.097 -9.598 1.00 0.00 C ATOM 0 H VAL A 53 -0.011 -3.555 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.093 -3.785 -9.338 1.00 0.00 H new ATOM 0 HB VAL A 53 0.858 -4.034 -10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.206 -2.933 -12.181 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.618 -4.496 -11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.498 -2.978 -11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.832 -1.572 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.842 -1.561 -9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.476 -2.146 -8.573 1.00 0.00 H new ATOM 862 N TRP A 54 -2.459 -6.247 -9.707 1.00 0.00 N ATOM 863 CA TRP A 54 -2.724 -7.599 -10.185 1.00 0.00 C ATOM 864 C TRP A 54 -3.099 -7.561 -11.662 1.00 0.00 C ATOM 865 O TRP A 54 -2.290 -7.889 -12.530 1.00 0.00 O ATOM 866 CB TRP A 54 -3.850 -8.239 -9.366 1.00 0.00 C ATOM 867 CG TRP A 54 -4.334 -9.544 -9.924 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.623 -9.878 -10.225 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.536 -10.686 -10.249 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.675 -11.161 -10.716 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.406 -11.678 -10.740 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.169 -10.967 -10.174 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.952 -12.929 -11.152 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.720 -12.209 -10.582 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.609 -13.176 -11.067 1.00 0.00 C ATOM 0 H TRP A 54 -3.271 -5.773 -9.312 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.823 -8.201 -10.065 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.500 -8.397 -8.346 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.688 -7.544 -9.312 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.477 -9.229 -10.096 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.520 -11.649 -11.014 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.475 -10.227 -9.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.636 -13.677 -11.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.666 -12.437 -10.526 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.227 -14.136 -11.380 1.00 0.00 H new ATOM 886 N MET A 55 -4.328 -7.139 -11.939 1.00 0.00 N ATOM 887 CA MET A 55 -4.812 -7.032 -13.308 1.00 0.00 C ATOM 888 C MET A 55 -5.797 -5.868 -13.457 1.00 0.00 C ATOM 889 O MET A 55 -6.859 -6.023 -14.061 1.00 0.00 O ATOM 890 CB MET A 55 -5.481 -8.341 -13.735 1.00 0.00 C ATOM 891 CG MET A 55 -5.624 -8.489 -15.240 1.00 0.00 C ATOM 892 SD MET A 55 -5.560 -10.209 -15.779 1.00 0.00 S ATOM 893 CE MET A 55 -6.841 -10.932 -14.757 1.00 0.00 C ATOM 0 H MET A 55 -5.008 -6.865 -11.230 1.00 0.00 H new ATOM 0 HA MET A 55 -3.956 -6.839 -13.954 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.900 -9.179 -13.350 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.468 -8.401 -13.277 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.569 -8.048 -15.556 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.830 -7.928 -15.733 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.084 -11.928 -15.128 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.488 -11.004 -13.728 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.732 -10.305 -14.792 1.00 0.00 H new ATOM 903 N PRO A 56 -5.465 -4.679 -12.908 1.00 0.00 N ATOM 904 CA PRO A 56 -6.316 -3.503 -12.980 1.00 0.00 C ATOM 905 C PRO A 56 -5.936 -2.586 -14.140 1.00 0.00 C ATOM 906 O PRO A 56 -5.261 -3.007 -15.079 1.00 0.00 O ATOM 907 CB PRO A 56 -6.043 -2.813 -11.638 1.00 0.00 C ATOM 908 CG PRO A 56 -4.722 -3.347 -11.154 1.00 0.00 C ATOM 909 CD PRO A 56 -4.243 -4.363 -12.164 1.00 0.00 C ATOM 0 HA PRO A 56 -7.363 -3.753 -13.151 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.005 -1.730 -11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.836 -3.027 -10.921 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.997 -2.539 -11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.831 -3.806 -10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.468 -3.955 -12.813 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.823 -5.246 -11.682 1.00 0.00 H new ATOM 917 N ASP A 57 -6.370 -1.330 -14.066 1.00 0.00 N ATOM 918 CA ASP A 57 -6.069 -0.358 -15.111 1.00 0.00 C ATOM 919 C ASP A 57 -5.977 1.053 -14.534 1.00 0.00 C ATOM 920 O ASP A 57 -6.730 1.947 -14.925 1.00 0.00 O ATOM 921 CB ASP A 57 -7.136 -0.410 -16.205 1.00 0.00 C ATOM 922 CG ASP A 57 -6.766 0.426 -17.414 1.00 0.00 C ATOM 923 OD1 ASP A 57 -6.014 1.410 -17.249 1.00 0.00 O ATOM 924 OD2 ASP A 57 -7.227 0.097 -18.527 1.00 0.00 O ATOM 0 H ASP A 57 -6.929 -0.963 -13.296 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.102 -0.614 -15.545 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.285 -1.445 -16.514 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.085 -0.058 -15.800 1.00 0.00 H new ATOM 929 N GLY A 58 -5.049 1.249 -13.602 1.00 0.00 N ATOM 930 CA GLY A 58 -4.875 2.554 -12.989 1.00 0.00 C ATOM 931 C GLY A 58 -3.419 2.875 -12.710 1.00 0.00 C ATOM 932 O GLY A 58 -2.695 2.058 -12.139 1.00 0.00 O ATOM 0 H GLY A 58 -4.414 0.527 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.293 3.318 -13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.437 2.592 -12.056 1.00 0.00 H new ATOM 936 N ASP A 59 -2.989 4.066 -13.114 1.00 0.00 N ATOM 937 CA ASP A 59 -1.609 4.492 -12.904 1.00 0.00 C ATOM 938 C ASP A 59 -1.365 4.851 -11.442 1.00 0.00 C ATOM 939 O ASP A 59 -2.248 5.380 -10.766 1.00 0.00 O ATOM 940 CB ASP A 59 -1.283 5.691 -13.796 1.00 0.00 C ATOM 941 CG ASP A 59 -2.213 6.863 -13.552 1.00 0.00 C ATOM 942 OD1 ASP A 59 -3.436 6.701 -13.748 1.00 0.00 O ATOM 943 OD2 ASP A 59 -1.718 7.943 -13.164 1.00 0.00 O ATOM 0 H ASP A 59 -3.575 4.753 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.955 3.661 -13.169 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.254 6.004 -13.618 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.348 5.391 -14.842 1.00 0.00 H new ATOM 948 N GLY A 60 -0.162 4.558 -10.959 1.00 0.00 N ATOM 949 CA GLY A 60 0.177 4.856 -9.580 1.00 0.00 C ATOM 950 C GLY A 60 1.069 6.077 -9.445 1.00 0.00 C ATOM 951 O GLY A 60 1.166 6.664 -8.368 1.00 0.00 O ATOM 0 H GLY A 60 0.584 4.119 -11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.739 5.016 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.679 3.994 -9.139 1.00 0.00 H new ATOM 955 N VAL A 61 1.724 6.459 -10.540 1.00 0.00 N ATOM 956 CA VAL A 61 2.610 7.612 -10.544 1.00 0.00 C ATOM 957 C VAL A 61 1.911 8.858 -10.005 1.00 0.00 C ATOM 958 O VAL A 61 2.502 9.643 -9.263 1.00 0.00 O ATOM 959 CB VAL A 61 3.124 7.897 -11.965 1.00 0.00 C ATOM 960 CG1 VAL A 61 4.108 9.049 -11.954 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.760 6.650 -12.562 1.00 0.00 C ATOM 0 H VAL A 61 1.654 5.981 -11.438 1.00 0.00 H new ATOM 0 HA VAL A 61 3.450 7.373 -9.892 1.00 0.00 H new ATOM 0 HB VAL A 61 2.276 8.180 -12.589 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.461 9.236 -12.968 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.617 9.943 -11.570 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.955 8.798 -11.316 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.118 6.870 -13.568 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.597 6.335 -11.939 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.021 5.850 -12.607 1.00 0.00 H new ATOM 971 N ASN A 62 0.652 9.034 -10.387 1.00 0.00 N ATOM 972 CA ASN A 62 -0.128 10.184 -9.947 1.00 0.00 C ATOM 973 C ASN A 62 -0.817 9.907 -8.607 1.00 0.00 C ATOM 974 O ASN A 62 -1.348 10.821 -7.976 1.00 0.00 O ATOM 975 CB ASN A 62 -1.158 10.555 -11.027 1.00 0.00 C ATOM 976 CG ASN A 62 -2.483 11.031 -10.460 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.775 12.227 -10.447 1.00 0.00 O ATOM 978 ND2 ASN A 62 -3.294 10.091 -9.989 1.00 0.00 N ATOM 0 H ASN A 62 0.149 8.394 -11.001 1.00 0.00 H new ATOM 0 HA ASN A 62 0.548 11.026 -9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.741 11.337 -11.662 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.334 9.688 -11.663 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.200 10.349 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.011 9.111 -10.020 1.00 0.00 H new ATOM 985 N PHE A 63 -0.810 8.647 -8.178 1.00 0.00 N ATOM 986 CA PHE A 63 -1.441 8.270 -6.918 1.00 0.00 C ATOM 987 C PHE A 63 -0.557 8.625 -5.725 1.00 0.00 C ATOM 988 O PHE A 63 -1.050 9.074 -4.690 1.00 0.00 O ATOM 989 CB PHE A 63 -1.756 6.774 -6.902 1.00 0.00 C ATOM 990 CG PHE A 63 -2.530 6.346 -5.688 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.699 7.001 -5.335 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.089 5.297 -4.898 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.413 6.617 -4.217 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.799 4.909 -3.778 1.00 0.00 C ATOM 995 CZ PHE A 63 -3.963 5.571 -3.437 1.00 0.00 C ATOM 0 H PHE A 63 -0.376 7.874 -8.682 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.371 8.833 -6.835 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.325 6.519 -7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.823 6.212 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.056 7.821 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.180 4.777 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.323 7.135 -3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.445 4.090 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.520 5.270 -2.562 1.00 0.00 H new ATOM 1005 N ILE A 64 0.749 8.417 -5.872 1.00 0.00 N ATOM 1006 CA ILE A 64 1.697 8.713 -4.800 1.00 0.00 C ATOM 1007 C ILE A 64 1.449 10.096 -4.205 1.00 0.00 C ATOM 1008 O ILE A 64 1.660 10.315 -3.012 1.00 0.00 O ATOM 1009 CB ILE A 64 3.154 8.627 -5.296 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.420 7.261 -5.934 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.125 8.880 -4.150 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.646 7.327 -7.429 1.00 0.00 C ATOM 0 H ILE A 64 1.175 8.045 -6.721 1.00 0.00 H new ATOM 0 HA ILE A 64 1.541 7.960 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 64 3.308 9.397 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.294 6.812 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.575 6.603 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.148 8.815 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.950 9.874 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.972 8.132 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.828 6.324 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.764 7.746 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.509 7.959 -7.639 1.00 0.00 H new ATOM 1024 N ASP A 65 0.998 11.025 -5.041 1.00 0.00 N ATOM 1025 CA ASP A 65 0.719 12.383 -4.589 1.00 0.00 C ATOM 1026 C ASP A 65 -0.583 12.430 -3.800 1.00 0.00 C ATOM 1027 O ASP A 65 -0.721 13.211 -2.860 1.00 0.00 O ATOM 1028 CB ASP A 65 0.645 13.338 -5.782 1.00 0.00 C ATOM 1029 CG ASP A 65 0.709 14.794 -5.363 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.831 15.309 -5.173 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.364 15.419 -5.223 1.00 0.00 O ATOM 0 H ASP A 65 0.818 10.863 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 65 1.532 12.699 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.466 13.124 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.281 13.161 -6.329 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.530 11.579 -4.180 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.814 11.516 -3.498 1.00 0.00 C ATOM 1038 C PHE A 66 -2.611 11.128 -2.038 1.00 0.00 C ATOM 1039 O PHE A 66 -3.191 11.732 -1.137 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.734 10.509 -4.195 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.001 10.218 -3.441 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -6.141 10.976 -3.654 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -5.050 9.186 -2.518 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -7.306 10.710 -2.960 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -6.211 8.915 -1.822 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.340 9.679 -2.042 1.00 0.00 C ATOM 0 H PHE A 66 -1.431 10.925 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.283 12.499 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.990 10.890 -5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.189 9.577 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.119 11.784 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.169 8.586 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.188 11.307 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.236 8.107 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.249 9.470 -1.497 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.769 10.125 -1.809 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.479 9.671 -0.456 1.00 0.00 C ATOM 1058 C ILE A 67 -0.923 10.821 0.380 1.00 0.00 C ATOM 1059 O ILE A 67 -1.307 11.007 1.534 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.478 8.492 -0.457 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.122 7.251 -1.079 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.002 8.186 0.956 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.068 7.230 -2.591 1.00 0.00 C ATOM 0 H ILE A 67 -1.277 9.613 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.414 9.323 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 67 0.386 8.778 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.622 6.362 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.163 7.195 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.705 7.353 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.496 9.065 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.851 7.921 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.543 6.321 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.593 8.100 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.029 7.254 -2.918 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.028 11.601 -0.217 1.00 0.00 N ATOM 1076 CA LYS A 68 0.563 12.741 0.473 1.00 0.00 C ATOM 1077 C LYS A 68 -0.387 13.937 0.449 1.00 0.00 C ATOM 1078 O LYS A 68 -0.257 14.860 1.253 1.00 0.00 O ATOM 1079 CB LYS A 68 1.898 13.119 -0.170 1.00 0.00 C ATOM 1080 CG LYS A 68 2.958 12.036 -0.052 1.00 0.00 C ATOM 1081 CD LYS A 68 4.315 12.620 0.308 1.00 0.00 C ATOM 1082 CE LYS A 68 5.146 11.639 1.119 1.00 0.00 C ATOM 1083 NZ LYS A 68 4.613 11.467 2.499 1.00 0.00 N ATOM 0 H LYS A 68 0.303 11.465 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 68 0.739 12.458 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.734 13.342 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.270 14.032 0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.659 11.314 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.033 11.494 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.851 12.886 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.177 13.539 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.163 10.673 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.176 11.991 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.353 11.065 3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.318 12.391 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.795 10.825 2.478 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.346 13.911 -0.475 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.320 14.988 -0.599 1.00 0.00 C ATOM 1099 C GLU A 69 -3.296 14.969 0.571 1.00 0.00 C ATOM 1100 O GLU A 69 -3.801 16.010 0.991 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.084 14.861 -1.917 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.920 16.085 -2.256 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.189 16.214 -3.742 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.063 15.483 -4.253 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -3.524 17.045 -4.396 1.00 0.00 O ATOM 0 H GLU A 69 -1.467 13.154 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.783 15.937 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.373 14.682 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.736 13.989 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.869 16.032 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.406 16.980 -1.904 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.556 13.775 1.092 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.472 13.610 2.216 1.00 0.00 C ATOM 1114 C ASN A 70 -3.860 12.717 3.295 1.00 0.00 C ATOM 1115 O ASN A 70 -4.566 12.206 4.163 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.806 13.020 1.741 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.673 12.218 0.458 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.841 10.998 0.454 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.371 12.903 -0.640 1.00 0.00 N ATOM 0 H ASN A 70 -3.145 12.905 0.754 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.654 14.595 2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.214 12.380 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.521 13.828 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.270 12.418 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.241 13.913 -0.591 1.00 0.00 H new ATOM 1126 N SER A 71 -2.542 12.538 3.237 1.00 0.00 N ATOM 1127 CA SER A 71 -1.836 11.712 4.210 1.00 0.00 C ATOM 1128 C SER A 71 -0.329 11.942 4.116 1.00 0.00 C ATOM 1129 O SER A 71 0.420 11.059 3.692 1.00 0.00 O ATOM 1130 CB SER A 71 -2.162 10.232 3.988 1.00 0.00 C ATOM 1131 OG SER A 71 -3.009 9.738 5.011 1.00 0.00 O ATOM 0 H SER A 71 -1.942 12.955 2.525 1.00 0.00 H new ATOM 0 HA SER A 71 -2.167 11.997 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.644 10.104 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.239 9.653 3.964 1.00 0.00 H new ATOM 0 HG SER A 71 -2.985 10.348 5.778 1.00 0.00 H new ATOM 1137 N PRO A 72 0.139 13.139 4.510 1.00 0.00 N ATOM 1138 CA PRO A 72 1.563 13.488 4.467 1.00 0.00 C ATOM 1139 C PRO A 72 2.382 12.682 5.463 1.00 0.00 C ATOM 1140 O PRO A 72 3.597 12.541 5.321 1.00 0.00 O ATOM 1141 CB PRO A 72 1.593 14.980 4.830 1.00 0.00 C ATOM 1142 CG PRO A 72 0.177 15.445 4.740 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.678 14.245 5.023 1.00 0.00 C ATOM 0 HA PRO A 72 2.000 13.272 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.992 15.131 5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.233 15.537 4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.018 16.240 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.037 15.851 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.884 14.136 6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.641 14.306 4.517 1.00 0.00 H new ATOM 1151 N ASP A 73 1.703 12.159 6.467 1.00 0.00 N ATOM 1152 CA ASP A 73 2.350 11.359 7.499 1.00 0.00 C ATOM 1153 C ASP A 73 2.134 9.871 7.250 1.00 0.00 C ATOM 1154 O ASP A 73 2.067 9.077 8.187 1.00 0.00 O ATOM 1155 CB ASP A 73 1.814 11.739 8.878 1.00 0.00 C ATOM 1156 CG ASP A 73 2.592 11.085 10.004 1.00 0.00 C ATOM 1157 OD1 ASP A 73 3.814 11.327 10.098 1.00 0.00 O ATOM 1158 OD2 ASP A 73 1.981 10.330 10.789 1.00 0.00 O ATOM 0 H ASP A 73 0.697 12.273 6.593 1.00 0.00 H new ATOM 0 HA ASP A 73 3.420 11.563 7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.854 12.822 8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.766 11.450 8.949 1.00 0.00 H new ATOM 1163 N SER A 74 2.025 9.499 5.978 1.00 0.00 N ATOM 1164 CA SER A 74 1.815 8.106 5.604 1.00 0.00 C ATOM 1165 C SER A 74 3.036 7.549 4.875 1.00 0.00 C ATOM 1166 O SER A 74 4.117 8.138 4.922 1.00 0.00 O ATOM 1167 CB SER A 74 0.570 7.979 4.722 1.00 0.00 C ATOM 1168 OG SER A 74 0.339 6.632 4.350 1.00 0.00 O ATOM 0 H SER A 74 2.079 10.144 5.189 1.00 0.00 H new ATOM 0 HA SER A 74 1.666 7.525 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.298 8.365 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.691 8.590 3.828 1.00 0.00 H new ATOM 0 HG SER A 74 -0.585 6.387 4.565 1.00 0.00 H new ATOM 1174 N VAL A 75 2.860 6.422 4.187 1.00 0.00 N ATOM 1175 CA VAL A 75 3.951 5.811 3.442 1.00 0.00 C ATOM 1176 C VAL A 75 3.434 5.002 2.264 1.00 0.00 C ATOM 1177 O VAL A 75 2.459 4.271 2.380 1.00 0.00 O ATOM 1178 CB VAL A 75 4.815 4.892 4.315 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.982 4.362 3.492 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.303 5.630 5.550 1.00 0.00 C ATOM 0 H VAL A 75 1.975 5.918 4.132 1.00 0.00 H new ATOM 0 HA VAL A 75 4.564 6.639 3.086 1.00 0.00 H new ATOM 0 HB VAL A 75 4.215 4.048 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.597 3.709 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.600 3.800 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.585 5.197 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.914 4.961 6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.899 6.491 5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.447 5.968 6.134 1.00 0.00 H new ATOM 1190 N VAL A 76 4.086 5.160 1.124 1.00 0.00 N ATOM 1191 CA VAL A 76 3.679 4.457 -0.088 1.00 0.00 C ATOM 1192 C VAL A 76 4.659 3.348 -0.453 1.00 0.00 C ATOM 1193 O VAL A 76 5.783 3.614 -0.876 1.00 0.00 O ATOM 1194 CB VAL A 76 3.546 5.419 -1.288 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.669 4.805 -2.368 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.992 6.765 -0.845 1.00 0.00 C ATOM 0 H VAL A 76 4.898 5.767 1.009 1.00 0.00 H new ATOM 0 HA VAL A 76 2.705 4.017 0.129 1.00 0.00 H new ATOM 0 HB VAL A 76 4.540 5.584 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.586 5.497 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.114 3.871 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.677 4.607 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.907 7.426 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.008 6.624 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.663 7.211 -0.111 1.00 0.00 H new ATOM 1206 N ILE A 77 4.218 2.105 -0.297 1.00 0.00 N ATOM 1207 CA ILE A 77 5.050 0.954 -0.622 1.00 0.00 C ATOM 1208 C ILE A 77 4.892 0.577 -2.092 1.00 0.00 C ATOM 1209 O ILE A 77 5.868 0.528 -2.840 1.00 0.00 O ATOM 1210 CB ILE A 77 4.696 -0.264 0.253 1.00 0.00 C ATOM 1211 CG1 ILE A 77 4.730 0.119 1.734 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.651 -1.415 -0.024 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.106 0.514 2.224 1.00 0.00 C ATOM 0 H ILE A 77 3.289 1.869 0.052 1.00 0.00 H new ATOM 0 HA ILE A 77 6.084 1.237 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 77 3.686 -0.590 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.041 0.947 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.369 -0.722 2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.386 -2.267 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.581 -1.701 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.671 -1.103 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.055 0.773 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.794 -0.320 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.461 1.374 1.657 1.00 0.00 H new ATOM 1225 N VAL A 78 3.651 0.322 -2.497 1.00 0.00 N ATOM 1226 CA VAL A 78 3.350 -0.042 -3.878 1.00 0.00 C ATOM 1227 C VAL A 78 4.193 -1.226 -4.341 1.00 0.00 C ATOM 1228 O VAL A 78 5.376 -1.081 -4.648 1.00 0.00 O ATOM 1229 CB VAL A 78 3.575 1.146 -4.832 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.055 0.818 -6.223 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.906 2.400 -4.290 1.00 0.00 C ATOM 0 H VAL A 78 2.835 0.361 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 78 2.298 -0.326 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 78 4.646 1.334 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.222 1.669 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.582 -0.053 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.988 0.603 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.076 3.229 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.835 2.226 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.328 2.645 -3.315 1.00 0.00 H new ATOM 1241 N ILE A 79 3.569 -2.399 -4.391 1.00 0.00 N ATOM 1242 CA ILE A 79 4.251 -3.617 -4.818 1.00 0.00 C ATOM 1243 C ILE A 79 3.853 -3.971 -6.252 1.00 0.00 C ATOM 1244 O ILE A 79 3.156 -3.202 -6.913 1.00 0.00 O ATOM 1245 CB ILE A 79 3.922 -4.808 -3.887 1.00 0.00 C ATOM 1246 CG1 ILE A 79 3.633 -4.318 -2.466 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.066 -5.812 -3.870 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.115 -5.403 -1.547 1.00 0.00 C ATOM 0 H ILE A 79 2.589 -2.532 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 79 5.323 -3.427 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 79 3.031 -5.302 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.546 -3.899 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.902 -3.511 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.813 -6.641 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.233 -6.190 -4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.972 -5.325 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.932 -4.985 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.185 -5.806 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.854 -6.201 -1.473 1.00 0.00 H new ATOM 1260 N THR A 80 4.294 -5.133 -6.730 1.00 0.00 N ATOM 1261 CA THR A 80 3.974 -5.574 -8.086 1.00 0.00 C ATOM 1262 C THR A 80 4.483 -4.572 -9.117 1.00 0.00 C ATOM 1263 O THR A 80 4.780 -3.425 -8.787 1.00 0.00 O ATOM 1264 CB THR A 80 2.461 -5.775 -8.247 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.766 -5.371 -7.082 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.076 -7.211 -8.528 1.00 0.00 C ATOM 0 H THR A 80 4.873 -5.785 -6.200 1.00 0.00 H new ATOM 0 HA THR A 80 4.473 -6.528 -8.255 1.00 0.00 H new ATOM 0 HB THR A 80 2.184 -5.160 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.792 -6.092 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.993 -7.284 -8.631 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.551 -7.541 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.406 -7.844 -7.704 1.00 0.00 H new ATOM 1317 N VAL A 85 8.908 -2.790 -15.212 1.00 0.00 N ATOM 1318 CA VAL A 85 9.203 -2.243 -13.889 1.00 0.00 C ATOM 1319 C VAL A 85 9.487 -0.744 -13.945 1.00 0.00 C ATOM 1320 O VAL A 85 10.260 -0.219 -13.143 1.00 0.00 O ATOM 1321 CB VAL A 85 10.400 -2.959 -13.234 1.00 0.00 C ATOM 1322 CG1 VAL A 85 10.090 -4.433 -13.025 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.657 -2.788 -14.075 1.00 0.00 C ATOM 0 HA VAL A 85 8.312 -2.410 -13.284 1.00 0.00 H new ATOM 0 HB VAL A 85 10.579 -2.504 -12.260 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.946 -4.923 -12.562 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.220 -4.533 -12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.881 -4.901 -13.987 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.489 -3.301 -13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.493 -3.212 -15.065 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.890 -1.727 -14.169 1.00 0.00 H new ATOM 1333 N ASP A 86 8.857 -0.058 -14.894 1.00 0.00 N ATOM 1334 CA ASP A 86 9.044 1.379 -15.047 1.00 0.00 C ATOM 1335 C ASP A 86 8.222 2.142 -14.015 1.00 0.00 C ATOM 1336 O ASP A 86 8.757 2.974 -13.282 1.00 0.00 O ATOM 1337 CB ASP A 86 8.656 1.822 -16.458 1.00 0.00 C ATOM 1338 CG ASP A 86 9.379 1.032 -17.531 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.524 0.601 -17.280 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.800 0.845 -18.622 1.00 0.00 O ATOM 0 H ASP A 86 8.214 -0.474 -15.567 1.00 0.00 H new ATOM 0 HA ASP A 86 10.098 1.603 -14.886 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.580 1.707 -16.589 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.880 2.882 -16.578 1.00 0.00 H new ATOM 1345 N THR A 87 6.922 1.853 -13.949 1.00 0.00 N ATOM 1346 CA THR A 87 6.044 2.516 -12.987 1.00 0.00 C ATOM 1347 C THR A 87 6.686 2.514 -11.606 1.00 0.00 C ATOM 1348 O THR A 87 6.511 3.445 -10.820 1.00 0.00 O ATOM 1349 CB THR A 87 4.673 1.827 -12.942 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.668 2.742 -12.547 1.00 0.00 O ATOM 1351 CG2 THR A 87 4.610 0.643 -11.992 1.00 0.00 C ATOM 0 H THR A 87 6.457 1.169 -14.546 1.00 0.00 H new ATOM 0 HA THR A 87 5.896 3.548 -13.304 1.00 0.00 H new ATOM 0 HB THR A 87 4.509 1.461 -13.956 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.801 2.286 -12.525 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.610 0.210 -12.016 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.338 -0.108 -12.298 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.836 0.977 -10.979 1.00 0.00 H new ATOM 1359 N ALA A 88 7.446 1.460 -11.333 1.00 0.00 N ATOM 1360 CA ALA A 88 8.140 1.325 -10.065 1.00 0.00 C ATOM 1361 C ALA A 88 9.101 2.485 -9.868 1.00 0.00 C ATOM 1362 O ALA A 88 8.984 3.254 -8.915 1.00 0.00 O ATOM 1363 CB ALA A 88 8.894 0.004 -10.021 1.00 0.00 C ATOM 0 H ALA A 88 7.596 0.685 -11.979 1.00 0.00 H new ATOM 0 HA ALA A 88 7.407 1.338 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.411 -0.088 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.190 -0.821 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.621 -0.027 -10.832 1.00 0.00 H new ATOM 1369 N VAL A 89 10.047 2.608 -10.788 1.00 0.00 N ATOM 1370 CA VAL A 89 11.031 3.675 -10.735 1.00 0.00 C ATOM 1371 C VAL A 89 10.376 5.038 -10.943 1.00 0.00 C ATOM 1372 O VAL A 89 10.899 6.062 -10.507 1.00 0.00 O ATOM 1373 CB VAL A 89 12.133 3.464 -11.795 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.766 2.093 -11.628 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.574 3.624 -13.204 1.00 0.00 C ATOM 0 H VAL A 89 10.152 1.978 -11.583 1.00 0.00 H new ATOM 0 HA VAL A 89 11.484 3.650 -9.744 1.00 0.00 H new ATOM 0 HB VAL A 89 12.899 4.226 -11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.542 1.956 -12.381 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.207 2.015 -10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.004 1.323 -11.748 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.371 3.470 -13.931 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.786 2.889 -13.368 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.164 4.627 -13.321 1.00 0.00 H new ATOM 1385 N LYS A 90 9.227 5.041 -11.614 1.00 0.00 N ATOM 1386 CA LYS A 90 8.499 6.275 -11.883 1.00 0.00 C ATOM 1387 C LYS A 90 7.625 6.672 -10.696 1.00 0.00 C ATOM 1388 O LYS A 90 7.225 7.830 -10.570 1.00 0.00 O ATOM 1389 CB LYS A 90 7.631 6.113 -13.132 1.00 0.00 C ATOM 1390 CG LYS A 90 6.922 7.390 -13.551 1.00 0.00 C ATOM 1391 CD LYS A 90 6.299 7.254 -14.931 1.00 0.00 C ATOM 1392 CE LYS A 90 7.226 7.780 -16.015 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.875 7.234 -17.356 1.00 0.00 N ATOM 0 H LYS A 90 8.781 4.201 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 90 9.231 7.066 -12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.256 5.767 -13.956 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.887 5.338 -12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.148 7.633 -12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.631 8.218 -13.551 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.068 6.207 -15.125 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.356 7.800 -14.961 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.174 8.868 -16.041 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.255 7.515 -15.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.529 7.616 -18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.949 6.197 -17.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.901 7.508 -17.598 1.00 0.00 H new ATOM 1407 N ALA A 91 7.323 5.706 -9.832 1.00 0.00 N ATOM 1408 CA ALA A 91 6.488 5.962 -8.665 1.00 0.00 C ATOM 1409 C ALA A 91 7.320 6.075 -7.391 1.00 0.00 C ATOM 1410 O ALA A 91 7.037 6.905 -6.527 1.00 0.00 O ATOM 1411 CB ALA A 91 5.445 4.864 -8.519 1.00 0.00 C ATOM 0 H ALA A 91 7.644 4.742 -9.919 1.00 0.00 H new ATOM 0 HA ALA A 91 5.986 6.918 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.826 5.064 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.817 4.838 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.944 3.902 -8.398 1.00 0.00 H new ATOM 1417 N ILE A 92 8.342 5.232 -7.273 1.00 0.00 N ATOM 1418 CA ILE A 92 9.201 5.242 -6.094 1.00 0.00 C ATOM 1419 C ILE A 92 10.056 6.506 -6.038 1.00 0.00 C ATOM 1420 O ILE A 92 10.436 6.960 -4.958 1.00 0.00 O ATOM 1421 CB ILE A 92 10.111 3.993 -6.041 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.247 4.095 -7.063 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.292 2.734 -6.282 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.162 2.888 -7.068 1.00 0.00 C ATOM 0 H ILE A 92 8.594 4.537 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 92 8.542 5.227 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 92 10.556 3.939 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.820 4.222 -8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.836 4.987 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.945 1.862 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.523 2.647 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.820 2.789 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.944 3.027 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.617 2.772 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.585 1.995 -7.309 1.00 0.00 H new ATOM 1436 N LYS A 93 10.350 7.071 -7.204 1.00 0.00 N ATOM 1437 CA LYS A 93 11.155 8.285 -7.278 1.00 0.00 C ATOM 1438 C LYS A 93 10.349 9.495 -6.818 1.00 0.00 C ATOM 1439 O LYS A 93 10.897 10.440 -6.252 1.00 0.00 O ATOM 1440 CB LYS A 93 11.660 8.504 -8.706 1.00 0.00 C ATOM 1441 CG LYS A 93 13.083 8.015 -8.930 1.00 0.00 C ATOM 1442 CD LYS A 93 14.072 9.169 -8.960 1.00 0.00 C ATOM 1443 CE LYS A 93 15.397 8.754 -9.580 1.00 0.00 C ATOM 1444 NZ LYS A 93 16.443 8.513 -8.548 1.00 0.00 N ATOM 0 H LYS A 93 10.044 6.710 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 93 12.012 8.166 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.995 7.991 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.609 9.567 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.358 7.319 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.136 7.465 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.648 9.998 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.241 9.530 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.254 7.849 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.736 9.531 -10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.330 8.232 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.599 9.384 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.132 7.754 -7.909 1.00 0.00 H new ATOM 1458 N LYS A 94 9.043 9.456 -7.067 1.00 0.00 N ATOM 1459 CA LYS A 94 8.159 10.547 -6.677 1.00 0.00 C ATOM 1460 C LYS A 94 8.194 10.763 -5.168 1.00 0.00 C ATOM 1461 O LYS A 94 8.637 11.807 -4.691 1.00 0.00 O ATOM 1462 CB LYS A 94 6.730 10.257 -7.129 1.00 0.00 C ATOM 1463 CG LYS A 94 5.834 11.486 -7.147 1.00 0.00 C ATOM 1464 CD LYS A 94 4.809 11.415 -8.269 1.00 0.00 C ATOM 1465 CE LYS A 94 4.905 12.620 -9.192 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.059 12.515 -10.128 1.00 0.00 N ATOM 0 H LYS A 94 8.575 8.681 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 94 8.509 11.457 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.755 9.822 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.293 9.509 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.321 11.577 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.445 12.381 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.961 10.502 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.807 11.360 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.982 12.713 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.003 13.527 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.088 13.356 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.943 12.452 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.953 11.664 -10.716 1.00 0.00 H new ATOM 1480 N GLY A 95 7.727 9.767 -4.421 1.00 0.00 N ATOM 1481 CA GLY A 95 7.718 9.870 -2.974 1.00 0.00 C ATOM 1482 C GLY A 95 7.290 8.584 -2.293 1.00 0.00 C ATOM 1483 O GLY A 95 6.730 8.615 -1.197 1.00 0.00 O ATOM 0 H GLY A 95 7.355 8.892 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.715 10.144 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.045 10.674 -2.676 1.00 0.00 H new ATOM 1487 N ALA A 96 7.555 7.450 -2.935 1.00 0.00 N ATOM 1488 CA ALA A 96 7.192 6.155 -2.373 1.00 0.00 C ATOM 1489 C ALA A 96 8.323 5.594 -1.515 1.00 0.00 C ATOM 1490 O ALA A 96 9.269 6.304 -1.174 1.00 0.00 O ATOM 1491 CB ALA A 96 6.822 5.175 -3.478 1.00 0.00 C ATOM 0 H ALA A 96 8.019 7.402 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 96 6.321 6.298 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.554 4.214 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.974 5.565 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.672 5.043 -4.147 1.00 0.00 H new ATOM 1497 N TYR A 97 8.216 4.316 -1.169 1.00 0.00 N ATOM 1498 CA TYR A 97 9.227 3.656 -0.351 1.00 0.00 C ATOM 1499 C TYR A 97 9.885 2.510 -1.116 1.00 0.00 C ATOM 1500 O TYR A 97 10.385 1.558 -0.522 1.00 0.00 O ATOM 1501 CB TYR A 97 8.590 3.137 0.937 1.00 0.00 C ATOM 1502 CG TYR A 97 9.565 2.454 1.870 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.506 3.187 2.582 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.543 1.075 2.039 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.398 2.565 3.435 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.432 0.446 2.889 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.357 1.195 3.585 1.00 0.00 C ATOM 1508 OH TYR A 97 12.244 0.572 4.432 1.00 0.00 O ATOM 0 H TYR A 97 7.438 3.716 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 97 10.001 4.382 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.123 3.971 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.795 2.436 0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.541 4.260 2.467 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.819 0.485 1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.124 3.149 3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.403 -0.627 3.008 1.00 0.00 H new ATOM 0 HH TYR A 97 12.673 -0.175 3.965 1.00 0.00 H new ATOM 1518 N GLU A 98 9.874 2.626 -2.442 1.00 0.00 N ATOM 1519 CA GLU A 98 10.462 1.625 -3.340 1.00 0.00 C ATOM 1520 C GLU A 98 9.474 0.503 -3.647 1.00 0.00 C ATOM 1521 O GLU A 98 8.659 0.125 -2.805 1.00 0.00 O ATOM 1522 CB GLU A 98 11.771 1.050 -2.767 1.00 0.00 C ATOM 1523 CG GLU A 98 11.610 -0.262 -2.003 1.00 0.00 C ATOM 1524 CD GLU A 98 12.582 -0.385 -0.847 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.052 0.660 -0.352 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.875 -1.528 -0.436 1.00 0.00 O ATOM 0 H GLU A 98 9.456 3.419 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 98 10.699 2.134 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.473 0.894 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.217 1.790 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.590 -0.336 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.757 -1.097 -2.687 1.00 0.00 H new ATOM 1533 N PHE A 99 9.560 -0.026 -4.863 1.00 0.00 N ATOM 1534 CA PHE A 99 8.686 -1.106 -5.297 1.00 0.00 C ATOM 1535 C PHE A 99 9.160 -2.443 -4.738 1.00 0.00 C ATOM 1536 O PHE A 99 10.151 -3.005 -5.202 1.00 0.00 O ATOM 1537 CB PHE A 99 8.647 -1.166 -6.825 1.00 0.00 C ATOM 1538 CG PHE A 99 7.382 -0.621 -7.425 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.854 0.584 -6.989 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.723 -1.312 -8.430 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.693 1.089 -7.545 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.562 -0.812 -8.989 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.047 0.390 -8.546 1.00 0.00 C ATOM 0 H PHE A 99 10.231 0.279 -5.568 1.00 0.00 H new ATOM 0 HA PHE A 99 7.683 -0.909 -4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.495 -0.608 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.770 -2.202 -7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.355 1.135 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.122 -2.253 -8.780 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.292 2.029 -7.197 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.058 -1.361 -9.771 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.140 0.783 -8.982 1.00 0.00 H new ATOM 1553 N LEU A 100 8.446 -2.945 -3.738 1.00 0.00 N ATOM 1554 CA LEU A 100 8.792 -4.216 -3.114 1.00 0.00 C ATOM 1555 C LEU A 100 8.817 -5.342 -4.142 1.00 0.00 C ATOM 1556 O LEU A 100 8.342 -5.182 -5.266 1.00 0.00 O ATOM 1557 CB LEU A 100 7.789 -4.537 -2.009 1.00 0.00 C ATOM 1558 CG LEU A 100 8.292 -5.484 -0.919 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.647 -5.035 -0.395 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.280 -5.560 0.211 1.00 0.00 C ATOM 0 H LEU A 100 7.623 -2.491 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 100 9.790 -4.129 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.480 -3.603 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.901 -4.974 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 100 8.412 -6.478 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.984 -5.724 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.368 -5.026 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.561 -4.032 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.647 -6.237 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.136 -4.567 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.330 -5.931 -0.175 1.00 0.00 H new ATOM 1572 N GLU A 101 9.375 -6.483 -3.748 1.00 0.00 N ATOM 1573 CA GLU A 101 9.461 -7.638 -4.636 1.00 0.00 C ATOM 1574 C GLU A 101 8.073 -8.087 -5.080 1.00 0.00 C ATOM 1575 O GLU A 101 7.164 -8.228 -4.262 1.00 0.00 O ATOM 1576 CB GLU A 101 10.184 -8.792 -3.937 1.00 0.00 C ATOM 1577 CG GLU A 101 11.688 -8.790 -4.156 1.00 0.00 C ATOM 1578 CD GLU A 101 12.286 -10.182 -4.104 1.00 0.00 C ATOM 1579 OE1 GLU A 101 11.954 -11.004 -4.984 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.086 -10.450 -3.183 1.00 0.00 O ATOM 0 H GLU A 101 9.774 -6.632 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 101 10.028 -7.345 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.981 -8.742 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.774 -9.736 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.910 -8.339 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.161 -8.167 -3.397 1.00 0.00 H new ATOM 1654 N VAL A 106 5.271 -12.839 1.242 1.00 0.00 N ATOM 1655 CA VAL A 106 4.910 -11.787 2.187 1.00 0.00 C ATOM 1656 C VAL A 106 6.037 -11.534 3.188 1.00 0.00 C ATOM 1657 O VAL A 106 6.251 -10.403 3.622 1.00 0.00 O ATOM 1658 CB VAL A 106 3.624 -12.147 2.956 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.852 -13.367 3.835 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.139 -10.962 3.779 1.00 0.00 C ATOM 0 HA VAL A 106 4.738 -10.881 1.606 1.00 0.00 H new ATOM 0 HB VAL A 106 2.847 -12.392 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.933 -13.606 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.141 -14.214 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.645 -13.156 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.230 -11.238 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.909 -10.677 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.930 -10.121 3.118 1.00 0.00 H new ATOM 1670 N GLU A 107 6.742 -12.602 3.561 1.00 0.00 N ATOM 1671 CA GLU A 107 7.843 -12.513 4.519 1.00 0.00 C ATOM 1672 C GLU A 107 8.686 -11.258 4.293 1.00 0.00 C ATOM 1673 O GLU A 107 9.133 -10.620 5.246 1.00 0.00 O ATOM 1674 CB GLU A 107 8.721 -13.757 4.423 1.00 0.00 C ATOM 1675 CG GLU A 107 9.573 -13.995 5.658 1.00 0.00 C ATOM 1676 CD GLU A 107 10.869 -14.717 5.341 1.00 0.00 C ATOM 1677 OE1 GLU A 107 11.502 -14.378 4.320 1.00 0.00 O ATOM 1678 OE2 GLU A 107 11.248 -15.621 6.115 1.00 0.00 O ATOM 0 H GLU A 107 6.568 -13.544 3.211 1.00 0.00 H new ATOM 0 HA GLU A 107 7.412 -12.449 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.087 -14.628 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.373 -13.666 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.800 -13.038 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.003 -14.579 6.381 1.00 0.00 H new ATOM 1685 N ARG A 108 8.893 -10.906 3.027 1.00 0.00 N ATOM 1686 CA ARG A 108 9.673 -9.723 2.683 1.00 0.00 C ATOM 1687 C ARG A 108 8.900 -8.456 3.033 1.00 0.00 C ATOM 1688 O ARG A 108 9.467 -7.483 3.528 1.00 0.00 O ATOM 1689 CB ARG A 108 10.022 -9.729 1.192 1.00 0.00 C ATOM 1690 CG ARG A 108 10.991 -8.629 0.789 1.00 0.00 C ATOM 1691 CD ARG A 108 12.431 -9.010 1.097 1.00 0.00 C ATOM 1692 NE ARG A 108 13.307 -8.813 -0.056 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.634 -8.736 0.025 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.241 -8.839 1.201 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.356 -8.556 -1.072 1.00 0.00 N ATOM 0 H ARG A 108 8.532 -11.422 2.225 1.00 0.00 H new ATOM 0 HA ARG A 108 10.597 -9.741 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.454 -10.695 0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.105 -9.624 0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.888 -8.425 -0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.737 -7.709 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.793 -8.413 1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.471 -10.054 1.409 1.00 0.00 H new ATOM 0 HE ARG A 108 12.877 -8.730 -0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.691 -8.978 2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.258 -8.779 1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.895 -8.476 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.372 -8.497 -1.010 1.00 0.00 H new ATOM 1709 N PHE A 109 7.595 -8.484 2.777 1.00 0.00 N ATOM 1710 CA PHE A 109 6.725 -7.351 3.068 1.00 0.00 C ATOM 1711 C PHE A 109 6.804 -6.974 4.546 1.00 0.00 C ATOM 1712 O PHE A 109 6.600 -5.817 4.915 1.00 0.00 O ATOM 1713 CB PHE A 109 5.279 -7.689 2.685 1.00 0.00 C ATOM 1714 CG PHE A 109 4.272 -6.668 3.134 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.441 -5.329 2.829 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.155 -7.051 3.861 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.517 -4.388 3.240 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.227 -6.114 4.275 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.409 -4.781 3.964 1.00 0.00 C ATOM 0 H PHE A 109 7.115 -9.285 2.366 1.00 0.00 H new ATOM 0 HA PHE A 109 7.060 -6.497 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.216 -7.794 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.017 -8.656 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.306 -5.016 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.009 -8.093 4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.661 -3.346 2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.361 -6.424 4.841 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.686 -4.047 4.287 1.00 0.00 H new ATOM 1729 N LEU A 110 7.100 -7.961 5.388 1.00 0.00 N ATOM 1730 CA LEU A 110 7.206 -7.739 6.826 1.00 0.00 C ATOM 1731 C LEU A 110 8.164 -6.592 7.142 1.00 0.00 C ATOM 1732 O LEU A 110 7.844 -5.703 7.932 1.00 0.00 O ATOM 1733 CB LEU A 110 7.672 -9.014 7.522 1.00 0.00 C ATOM 1734 CG LEU A 110 6.925 -9.360 8.810 1.00 0.00 C ATOM 1735 CD1 LEU A 110 6.984 -10.856 9.075 1.00 0.00 C ATOM 1736 CD2 LEU A 110 7.503 -8.586 9.984 1.00 0.00 C ATOM 0 H LEU A 110 7.271 -8.924 5.098 1.00 0.00 H new ATOM 0 HA LEU A 110 6.218 -7.467 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 110 7.570 -9.847 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.733 -8.917 7.751 1.00 0.00 H new ATOM 0 HG LEU A 110 5.880 -9.074 8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.447 -11.084 9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.523 -11.391 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.024 -11.167 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.960 -8.844 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.556 -8.842 10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.409 -7.516 9.796 1.00 0.00 H new ATOM 1748 N LEU A 111 9.340 -6.620 6.524 1.00 0.00 N ATOM 1749 CA LEU A 111 10.345 -5.584 6.741 1.00 0.00 C ATOM 1750 C LEU A 111 9.872 -4.241 6.193 1.00 0.00 C ATOM 1751 O LEU A 111 9.888 -3.232 6.897 1.00 0.00 O ATOM 1752 CB LEU A 111 11.669 -5.981 6.088 1.00 0.00 C ATOM 1753 CG LEU A 111 12.307 -7.257 6.640 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.753 -8.482 5.931 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.821 -7.197 6.501 1.00 0.00 C ATOM 0 H LEU A 111 9.621 -7.349 5.868 1.00 0.00 H new ATOM 0 HA LEU A 111 10.497 -5.481 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.505 -6.109 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.375 -5.159 6.206 1.00 0.00 H new ATOM 0 HG LEU A 111 12.061 -7.335 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.219 -9.380 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.675 -8.533 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.967 -8.413 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.259 -8.112 6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.086 -7.095 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.204 -6.341 7.056 1.00 0.00 H new ATOM 1767 N THR A 112 9.452 -4.231 4.931 1.00 0.00 N ATOM 1768 CA THR A 112 8.975 -3.006 4.294 1.00 0.00 C ATOM 1769 C THR A 112 8.004 -2.262 5.211 1.00 0.00 C ATOM 1770 O THR A 112 7.946 -1.033 5.206 1.00 0.00 O ATOM 1771 CB THR A 112 8.297 -3.335 2.961 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.247 -3.806 2.022 1.00 0.00 O ATOM 1773 CG2 THR A 112 7.585 -2.153 2.338 1.00 0.00 C ATOM 0 H THR A 112 9.432 -5.055 4.330 1.00 0.00 H new ATOM 0 HA THR A 112 9.832 -2.359 4.105 1.00 0.00 H new ATOM 0 HB THR A 112 7.556 -4.099 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.560 -4.695 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.128 -2.458 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.812 -1.795 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.302 -1.354 2.151 1.00 0.00 H new ATOM 1781 N ILE A 113 7.253 -3.023 5.999 1.00 0.00 N ATOM 1782 CA ILE A 113 6.289 -2.451 6.932 1.00 0.00 C ATOM 1783 C ILE A 113 6.991 -1.919 8.180 1.00 0.00 C ATOM 1784 O ILE A 113 7.028 -0.713 8.419 1.00 0.00 O ATOM 1785 CB ILE A 113 5.229 -3.498 7.343 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.283 -3.778 6.175 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.447 -3.032 8.563 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.458 -2.577 5.764 1.00 0.00 C ATOM 0 H ILE A 113 7.294 -4.042 6.010 1.00 0.00 H new ATOM 0 HA ILE A 113 5.791 -1.625 6.424 1.00 0.00 H new ATOM 0 HB ILE A 113 5.744 -4.422 7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.866 -4.118 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.613 -4.593 6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.708 -3.787 8.831 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.131 -2.881 9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.941 -2.094 8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.810 -2.849 4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.848 -2.249 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.121 -1.767 5.459 1.00 0.00 H new ATOM 1800 N LYS A 114 7.547 -2.834 8.972 1.00 0.00 N ATOM 1801 CA LYS A 114 8.250 -2.467 10.200 1.00 0.00 C ATOM 1802 C LYS A 114 9.285 -1.369 9.959 1.00 0.00 C ATOM 1803 O LYS A 114 9.704 -0.685 10.893 1.00 0.00 O ATOM 1804 CB LYS A 114 8.936 -3.682 10.800 1.00 0.00 C ATOM 1805 CG LYS A 114 9.954 -4.274 9.870 1.00 0.00 C ATOM 1806 CD LYS A 114 11.374 -4.031 10.359 1.00 0.00 C ATOM 1807 CE LYS A 114 12.386 -4.216 9.241 1.00 0.00 C ATOM 1808 NZ LYS A 114 13.065 -5.539 9.319 1.00 0.00 N ATOM 0 H LYS A 114 7.524 -3.836 8.785 1.00 0.00 H new ATOM 0 HA LYS A 114 7.503 -2.084 10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 114 9.421 -3.399 11.734 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.188 -4.436 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.780 -5.346 9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.833 -3.843 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.454 -3.021 10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.602 -4.717 11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.884 -4.122 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 114 13.131 -3.422 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.697 -5.653 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.621 -5.593 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.352 -6.296 9.314 1.00 0.00 H new ATOM 1822 N HIS A 115 9.691 -1.198 8.704 1.00 0.00 N ATOM 1823 CA HIS A 115 10.670 -0.179 8.352 1.00 0.00 C ATOM 1824 C HIS A 115 9.980 1.142 8.018 1.00 0.00 C ATOM 1825 O HIS A 115 10.557 2.216 8.187 1.00 0.00 O ATOM 1826 CB HIS A 115 11.518 -0.641 7.170 1.00 0.00 C ATOM 1827 CG HIS A 115 12.829 0.076 7.058 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.021 1.368 7.499 1.00 0.00 N ATOM 1829 CD2 HIS A 115 14.018 -0.328 6.551 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.271 1.728 7.268 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.896 0.717 6.694 1.00 0.00 N ATOM 0 H HIS A 115 9.356 -1.752 7.916 1.00 0.00 H new ATOM 0 HA HIS A 115 11.321 -0.022 9.212 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.705 -1.711 7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.953 -0.495 6.249 1.00 0.00 H new ATOM 0 HD1 HIS A 115 12.309 1.954 7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.235 -1.292 6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.707 2.686 7.508 1.00 0.00 H new ATOM 1840 N ALA A 116 8.742 1.051 7.540 1.00 0.00 N ATOM 1841 CA ALA A 116 7.969 2.235 7.180 1.00 0.00 C ATOM 1842 C ALA A 116 7.419 2.933 8.421 1.00 0.00 C ATOM 1843 O ALA A 116 7.326 4.160 8.465 1.00 0.00 O ATOM 1844 CB ALA A 116 6.832 1.854 6.243 1.00 0.00 C ATOM 0 H ALA A 116 8.253 0.168 7.393 1.00 0.00 H new ATOM 0 HA ALA A 116 8.634 2.931 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.262 2.745 5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.241 1.406 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.177 1.137 6.738 1.00 0.00 H new ATOM 1850 N PHE A 117 7.050 2.142 9.424 1.00 0.00 N ATOM 1851 CA PHE A 117 6.505 2.685 10.664 1.00 0.00 C ATOM 1852 C PHE A 117 7.614 3.201 11.576 1.00 0.00 C ATOM 1853 O PHE A 117 7.514 4.294 12.132 1.00 0.00 O ATOM 1854 CB PHE A 117 5.686 1.618 11.395 1.00 0.00 C ATOM 1855 CG PHE A 117 4.337 1.370 10.783 1.00 0.00 C ATOM 1856 CD1 PHE A 117 4.178 0.422 9.786 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.227 2.087 11.205 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.939 0.194 9.222 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.986 1.862 10.644 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.841 0.915 9.651 1.00 0.00 C ATOM 0 H PHE A 117 7.118 1.125 9.403 1.00 0.00 H new ATOM 0 HA PHE A 117 5.857 3.523 10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.248 0.684 11.405 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.554 1.922 12.434 1.00 0.00 H new ATOM 0 HD1 PHE A 117 5.032 -0.145 9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.335 2.830 11.981 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.828 -0.548 8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.130 2.427 10.982 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.871 0.738 9.210 1.00 0.00 H new ATOM 1870 N GLU A 118 8.670 2.407 11.727 1.00 0.00 N ATOM 1871 CA GLU A 118 9.796 2.784 12.577 1.00 0.00 C ATOM 1872 C GLU A 118 10.357 4.147 12.179 1.00 0.00 C ATOM 1873 O GLU A 118 10.539 5.023 13.024 1.00 0.00 O ATOM 1874 CB GLU A 118 10.896 1.729 12.499 1.00 0.00 C ATOM 1875 CG GLU A 118 10.576 0.456 13.267 1.00 0.00 C ATOM 1876 CD GLU A 118 11.576 -0.652 13.002 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.063 -0.751 11.856 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.873 -1.421 13.940 1.00 0.00 O ATOM 0 H GLU A 118 8.770 1.499 11.273 1.00 0.00 H new ATOM 0 HA GLU A 118 9.432 2.849 13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.073 1.477 11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.823 2.153 12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.557 0.675 14.335 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.578 0.113 12.994 1.00 0.00 H new