USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 565 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 21 GLN : amide:sc= 0.259 K(o=1.1,f=-15!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 141:sc= 0.861 (180deg=0) USER MOD Set 2.1: A 53 SER OG : rot -86:sc= 0.425 USER MOD Set 2.2: A 54 GLN : amide:sc= -3.93 K(o=-3.6,f=-0.73) USER MOD Set 2.3: A 55 ASN : amide:sc= -0.0751 K(o=-3.6,f=-0.84) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -170:sc= -1.17 USER MOD Single : A 14 TYR OH : rot -30:sc= -2.77! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -5.16! C(o=-5.2!,f=-9!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.19) USER MOD Single : A 35 SER OG : rot 180:sc=0.000436 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -5.56! C(o=-5.6!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.472! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.501 5.368 5.101 1.00 0.00 N ATOM 49 CA SER A 6 -10.293 6.148 4.889 1.00 0.00 C ATOM 50 C SER A 6 -10.222 6.618 3.435 1.00 0.00 C ATOM 51 O SER A 6 -9.927 7.782 3.169 1.00 0.00 O ATOM 52 CB SER A 6 -9.045 5.338 5.246 1.00 0.00 C ATOM 53 OG SER A 6 -8.076 6.126 5.932 1.00 0.00 O ATOM 0 HA SER A 6 -10.329 7.018 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.329 4.490 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.604 4.932 4.336 1.00 0.00 H new ATOM 0 HG SER A 6 -7.295 5.573 6.144 1.00 0.00 H new ATOM 59 N GLY A 7 -10.498 5.689 2.532 1.00 0.00 N ATOM 60 CA GLY A 7 -10.470 5.994 1.111 1.00 0.00 C ATOM 61 C GLY A 7 -11.252 7.274 0.809 1.00 0.00 C ATOM 62 O GLY A 7 -11.020 7.922 -0.210 1.00 0.00 O ATOM 0 H GLY A 7 -10.742 4.724 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.438 6.108 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.895 5.163 0.549 1.00 0.00 H new ATOM 66 N ALA A 8 -12.163 7.599 1.715 1.00 0.00 N ATOM 67 CA ALA A 8 -12.981 8.790 1.558 1.00 0.00 C ATOM 68 C ALA A 8 -12.262 9.984 2.188 1.00 0.00 C ATOM 69 O ALA A 8 -12.372 11.108 1.700 1.00 0.00 O ATOM 70 CB ALA A 8 -14.360 8.547 2.176 1.00 0.00 C ATOM 0 H ALA A 8 -12.353 7.059 2.559 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.132 9.016 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.974 9.440 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.841 7.707 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.249 8.320 3.236 1.00 0.00 H new ATOM 76 N SER A 9 -11.541 9.700 3.263 1.00 0.00 N ATOM 77 CA SER A 9 -10.804 10.737 3.965 1.00 0.00 C ATOM 78 C SER A 9 -9.649 11.238 3.094 1.00 0.00 C ATOM 79 O SER A 9 -9.429 12.443 2.984 1.00 0.00 O ATOM 80 CB SER A 9 -10.274 10.225 5.305 1.00 0.00 C ATOM 81 OG SER A 9 -11.005 9.094 5.771 1.00 0.00 O ATOM 0 H SER A 9 -11.452 8.767 3.665 1.00 0.00 H new ATOM 0 HA SER A 9 -11.485 11.564 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.222 9.959 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.329 11.023 6.046 1.00 0.00 H new ATOM 0 HG SER A 9 -10.744 8.894 6.694 1.00 0.00 H new ATOM 87 N LEU A 10 -8.943 10.288 2.499 1.00 0.00 N ATOM 88 CA LEU A 10 -7.817 10.618 1.643 1.00 0.00 C ATOM 89 C LEU A 10 -8.216 11.753 0.697 1.00 0.00 C ATOM 90 O LEU A 10 -7.377 12.560 0.301 1.00 0.00 O ATOM 91 CB LEU A 10 -7.307 9.369 0.922 1.00 0.00 C ATOM 92 CG LEU A 10 -6.206 8.584 1.638 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.675 8.113 3.016 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.709 7.424 0.773 1.00 0.00 C ATOM 0 H LEU A 10 -9.129 9.290 2.593 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.979 10.978 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.151 8.701 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.935 9.666 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.359 9.252 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.873 7.558 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.940 8.977 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.546 7.468 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.927 6.882 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.537 6.748 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.308 7.814 -0.163 1.00 0.00 H new ATOM 106 N LEU A 11 -9.498 11.779 0.363 1.00 0.00 N ATOM 107 CA LEU A 11 -10.019 12.801 -0.528 1.00 0.00 C ATOM 108 C LEU A 11 -9.868 14.173 0.133 1.00 0.00 C ATOM 109 O LEU A 11 -9.463 15.137 -0.515 1.00 0.00 O ATOM 110 CB LEU A 11 -11.455 12.472 -0.940 1.00 0.00 C ATOM 111 CG LEU A 11 -11.651 11.156 -1.695 1.00 0.00 C ATOM 112 CD1 LEU A 11 -13.028 10.557 -1.404 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.414 11.344 -3.195 1.00 0.00 C ATOM 0 H LEU A 11 -10.191 11.108 0.694 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.445 12.827 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.073 12.449 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.828 13.285 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.907 10.443 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.142 9.622 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.122 10.364 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.803 11.257 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.560 10.394 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.118 12.079 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.395 11.694 -3.361 1.00 0.00 H new ATOM 125 N ALA A 12 -10.202 14.217 1.414 1.00 0.00 N ATOM 126 CA ALA A 12 -10.109 15.455 2.170 1.00 0.00 C ATOM 127 C ALA A 12 -8.673 15.636 2.667 1.00 0.00 C ATOM 128 O ALA A 12 -8.109 16.724 2.561 1.00 0.00 O ATOM 129 CB ALA A 12 -11.124 15.432 3.315 1.00 0.00 C ATOM 0 H ALA A 12 -10.538 13.415 1.948 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.350 16.310 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.054 16.360 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.130 15.330 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.912 14.589 3.972 1.00 0.00 H new ATOM 135 N ARG A 13 -8.124 14.555 3.199 1.00 0.00 N ATOM 136 CA ARG A 13 -6.765 14.581 3.713 1.00 0.00 C ATOM 137 C ARG A 13 -5.790 15.006 2.613 1.00 0.00 C ATOM 138 O ARG A 13 -5.046 15.972 2.778 1.00 0.00 O ATOM 139 CB ARG A 13 -6.352 13.209 4.249 1.00 0.00 C ATOM 140 CG ARG A 13 -6.258 13.222 5.776 1.00 0.00 C ATOM 141 CD ARG A 13 -5.876 11.841 6.313 1.00 0.00 C ATOM 142 NE ARG A 13 -5.553 11.931 7.755 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.171 10.889 8.505 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.062 9.671 7.956 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.898 11.064 9.805 1.00 0.00 N ATOM 0 H ARG A 13 -8.595 13.655 3.286 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.733 15.302 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.076 12.458 3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.390 12.923 3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.518 13.957 6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.214 13.530 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.698 11.142 6.159 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.019 11.452 5.763 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.626 12.843 8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.270 9.537 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.771 8.878 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.981 11.991 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.607 10.271 10.376 1.00 0.00 H new ATOM 159 N TYR A 14 -5.824 14.264 1.516 1.00 0.00 N ATOM 160 CA TYR A 14 -4.953 14.552 0.390 1.00 0.00 C ATOM 161 C TYR A 14 -5.751 15.100 -0.795 1.00 0.00 C ATOM 162 O TYR A 14 -6.951 14.854 -0.907 1.00 0.00 O ATOM 163 CB TYR A 14 -4.323 13.216 -0.009 1.00 0.00 C ATOM 164 CG TYR A 14 -3.455 12.587 1.083 1.00 0.00 C ATOM 165 CD1 TYR A 14 -4.025 11.746 2.018 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.104 12.859 1.132 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.208 11.154 3.045 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.287 12.267 2.159 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.879 11.443 3.065 1.00 0.00 C ATOM 170 OH TYR A 14 -1.108 10.884 4.035 1.00 0.00 O ATOM 0 H TYR A 14 -6.442 13.463 1.383 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.209 15.300 0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.116 12.517 -0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.715 13.365 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.083 11.532 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.659 13.516 0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.641 10.495 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.228 12.473 2.209 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.648 10.740 4.840 1.00 0.00 H new ATOM 180 N PRO A 15 -5.034 15.852 -1.672 1.00 0.00 N ATOM 181 CA PRO A 15 -5.663 16.437 -2.845 1.00 0.00 C ATOM 182 C PRO A 15 -5.923 15.375 -3.915 1.00 0.00 C ATOM 183 O PRO A 15 -5.459 14.242 -3.796 1.00 0.00 O ATOM 184 CB PRO A 15 -4.703 17.522 -3.306 1.00 0.00 C ATOM 185 CG PRO A 15 -3.366 17.197 -2.661 1.00 0.00 C ATOM 186 CD PRO A 15 -3.612 16.165 -1.572 1.00 0.00 C ATOM 0 HA PRO A 15 -6.645 16.858 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.620 17.534 -4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.054 18.508 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.668 16.810 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.917 18.096 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.999 15.276 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.362 16.561 -0.588 1.00 0.00 H new ATOM 194 N PRO A 16 -6.684 15.789 -4.963 1.00 0.00 N ATOM 195 CA PRO A 16 -7.012 14.886 -6.053 1.00 0.00 C ATOM 196 C PRO A 16 -5.805 14.672 -6.969 1.00 0.00 C ATOM 197 O PRO A 16 -5.654 13.606 -7.563 1.00 0.00 O ATOM 198 CB PRO A 16 -8.188 15.537 -6.762 1.00 0.00 C ATOM 199 CG PRO A 16 -8.179 16.995 -6.334 1.00 0.00 C ATOM 200 CD PRO A 16 -7.251 17.123 -5.137 1.00 0.00 C ATOM 0 HA PRO A 16 -7.276 13.887 -5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.090 15.447 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.126 15.055 -6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.838 17.631 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.185 17.323 -6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.472 17.864 -5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.794 17.442 -4.247 1.00 0.00 H new ATOM 208 N GLU A 17 -4.977 15.703 -7.054 1.00 0.00 N ATOM 209 CA GLU A 17 -3.789 15.641 -7.888 1.00 0.00 C ATOM 210 C GLU A 17 -2.721 14.768 -7.225 1.00 0.00 C ATOM 211 O GLU A 17 -1.660 14.534 -7.802 1.00 0.00 O ATOM 212 CB GLU A 17 -3.249 17.043 -8.177 1.00 0.00 C ATOM 213 CG GLU A 17 -2.712 17.698 -6.903 1.00 0.00 C ATOM 214 CD GLU A 17 -3.199 19.143 -6.782 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.311 19.411 -7.287 1.00 0.00 O ATOM 216 OE2 GLU A 17 -2.449 19.947 -6.188 1.00 0.00 O ATOM 0 H GLU A 17 -5.105 16.586 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.061 15.188 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.456 16.984 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.040 17.661 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.035 17.127 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.622 17.677 -6.911 1.00 0.00 H new ATOM 223 N LYS A 18 -3.038 14.311 -6.023 1.00 0.00 N ATOM 224 CA LYS A 18 -2.119 13.469 -5.276 1.00 0.00 C ATOM 225 C LYS A 18 -2.836 12.184 -4.857 1.00 0.00 C ATOM 226 O LYS A 18 -2.267 11.353 -4.151 1.00 0.00 O ATOM 227 CB LYS A 18 -1.513 14.245 -4.105 1.00 0.00 C ATOM 228 CG LYS A 18 -0.847 15.535 -4.588 1.00 0.00 C ATOM 229 CD LYS A 18 -0.076 16.213 -3.453 1.00 0.00 C ATOM 230 CE LYS A 18 0.914 17.242 -4.001 1.00 0.00 C ATOM 231 NZ LYS A 18 2.301 16.738 -3.887 1.00 0.00 N ATOM 0 H LYS A 18 -3.919 14.508 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.277 13.174 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.291 14.483 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.779 13.623 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.168 15.312 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.604 16.216 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.775 16.701 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.459 15.462 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.684 17.457 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.815 18.179 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.961 17.449 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.523 16.555 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.396 15.856 -4.430 1.00 0.00 H new ATOM 245 N LEU A 19 -4.076 12.062 -5.309 1.00 0.00 N ATOM 246 CA LEU A 19 -4.877 10.893 -4.990 1.00 0.00 C ATOM 247 C LEU A 19 -4.615 9.801 -6.029 1.00 0.00 C ATOM 248 O LEU A 19 -5.010 9.933 -7.187 1.00 0.00 O ATOM 249 CB LEU A 19 -6.353 11.275 -4.858 1.00 0.00 C ATOM 250 CG LEU A 19 -6.828 11.639 -3.450 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.159 12.392 -3.498 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.902 10.399 -2.558 1.00 0.00 C ATOM 0 H LEU A 19 -4.545 12.754 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.589 10.487 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.549 12.121 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.957 10.443 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.094 12.311 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.474 12.639 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.037 13.310 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.915 11.765 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.242 10.686 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.602 9.683 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.915 9.943 -2.486 1.00 0.00 H new ATOM 264 N PHE A 20 -3.951 8.747 -5.579 1.00 0.00 N ATOM 265 CA PHE A 20 -3.631 7.633 -6.455 1.00 0.00 C ATOM 266 C PHE A 20 -4.202 6.323 -5.907 1.00 0.00 C ATOM 267 O PHE A 20 -4.179 6.088 -4.700 1.00 0.00 O ATOM 268 CB PHE A 20 -2.106 7.528 -6.507 1.00 0.00 C ATOM 269 CG PHE A 20 -1.444 8.541 -7.443 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.247 8.230 -8.752 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.052 9.753 -6.966 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.633 9.170 -9.621 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.438 10.693 -7.835 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.241 10.382 -9.144 1.00 0.00 C ATOM 0 H PHE A 20 -3.625 8.641 -4.618 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.061 7.801 -7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.708 7.664 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.832 6.522 -6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.558 7.268 -9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.208 10.000 -5.926 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.477 8.923 -10.661 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.127 11.655 -7.456 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.227 11.097 -9.805 1.00 0.00 H new ATOM 284 N GLN A 21 -4.702 5.505 -6.822 1.00 0.00 N ATOM 285 CA GLN A 21 -5.279 4.225 -6.446 1.00 0.00 C ATOM 286 C GLN A 21 -4.302 3.091 -6.761 1.00 0.00 C ATOM 287 O GLN A 21 -3.435 3.234 -7.621 1.00 0.00 O ATOM 288 CB GLN A 21 -6.622 4.003 -7.144 1.00 0.00 C ATOM 289 CG GLN A 21 -7.346 2.786 -6.563 1.00 0.00 C ATOM 290 CD GLN A 21 -8.618 2.476 -7.355 1.00 0.00 C ATOM 291 OE1 GLN A 21 -8.648 2.523 -8.574 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.663 2.157 -6.597 1.00 0.00 N ATOM 0 H GLN A 21 -4.720 5.704 -7.822 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.463 4.232 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.246 4.890 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.462 3.860 -8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.683 1.921 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.599 2.973 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.569 2.137 -5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.558 1.933 -7.031 1.00 0.00 H new ATOM 301 N ALA A 22 -4.476 1.988 -6.046 1.00 0.00 N ATOM 302 CA ALA A 22 -3.620 0.829 -6.239 1.00 0.00 C ATOM 303 C ALA A 22 -4.119 0.027 -7.443 1.00 0.00 C ATOM 304 O ALA A 22 -5.244 -0.470 -7.439 1.00 0.00 O ATOM 305 CB ALA A 22 -3.591 -0.003 -4.955 1.00 0.00 C ATOM 0 H ALA A 22 -5.196 1.873 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.596 1.138 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.949 -0.872 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.202 0.604 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.601 -0.334 -4.713 1.00 0.00 H new ATOM 311 N GLU A 23 -3.257 -0.073 -8.444 1.00 0.00 N ATOM 312 CA GLU A 23 -3.596 -0.806 -9.652 1.00 0.00 C ATOM 313 C GLU A 23 -3.721 -2.301 -9.349 1.00 0.00 C ATOM 314 O GLU A 23 -4.722 -2.926 -9.695 1.00 0.00 O ATOM 315 CB GLU A 23 -2.564 -0.555 -10.754 1.00 0.00 C ATOM 316 CG GLU A 23 -2.886 0.727 -11.524 1.00 0.00 C ATOM 317 CD GLU A 23 -4.131 0.544 -12.396 1.00 0.00 C ATOM 318 OE1 GLU A 23 -3.971 -0.015 -13.502 1.00 0.00 O ATOM 319 OE2 GLU A 23 -5.213 0.969 -11.936 1.00 0.00 O ATOM 0 H GLU A 23 -2.325 0.341 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.560 -0.446 -10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.569 -0.480 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.547 -1.401 -11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.046 1.546 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.037 1.003 -12.149 1.00 0.00 H new ATOM 326 N ARG A 24 -2.691 -2.829 -8.704 1.00 0.00 N ATOM 327 CA ARG A 24 -2.674 -4.238 -8.350 1.00 0.00 C ATOM 328 C ARG A 24 -2.268 -4.412 -6.885 1.00 0.00 C ATOM 329 O ARG A 24 -1.853 -3.455 -6.234 1.00 0.00 O ATOM 330 CB ARG A 24 -1.700 -5.017 -9.238 1.00 0.00 C ATOM 331 CG ARG A 24 -1.853 -4.613 -10.705 1.00 0.00 C ATOM 332 CD ARG A 24 -2.280 -5.808 -11.561 1.00 0.00 C ATOM 333 NE ARG A 24 -3.612 -5.555 -12.154 1.00 0.00 N ATOM 334 CZ ARG A 24 -4.448 -6.520 -12.561 1.00 0.00 C ATOM 335 NH1 ARG A 24 -4.095 -7.807 -12.442 1.00 0.00 N ATOM 336 NH2 ARG A 24 -5.637 -6.198 -13.088 1.00 0.00 N ATOM 0 H ARG A 24 -1.863 -2.307 -8.418 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.680 -4.630 -8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.677 -4.832 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.881 -6.087 -9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.592 -3.817 -10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.909 -4.214 -11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.548 -5.981 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.310 -6.711 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.912 -4.586 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.190 -8.053 -12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.732 -8.541 -12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.906 -5.218 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.273 -6.933 -13.398 1.00 0.00 H new ATOM 350 N ASN A 25 -2.403 -5.642 -6.409 1.00 0.00 N ATOM 351 CA ASN A 25 -2.056 -5.953 -5.033 1.00 0.00 C ATOM 352 C ASN A 25 -0.541 -5.833 -4.854 1.00 0.00 C ATOM 353 O ASN A 25 0.221 -6.587 -5.458 1.00 0.00 O ATOM 354 CB ASN A 25 -2.463 -7.384 -4.673 1.00 0.00 C ATOM 355 CG ASN A 25 -3.682 -7.391 -3.749 1.00 0.00 C ATOM 356 OD1 ASN A 25 -3.582 -7.579 -2.548 1.00 0.00 O ATOM 357 ND2 ASN A 25 -4.836 -7.176 -4.374 1.00 0.00 N ATOM 0 H ASN A 25 -2.748 -6.434 -6.952 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.584 -5.254 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.688 -7.942 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.630 -7.891 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.708 -7.161 -3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.849 -7.026 -5.383 1.00 0.00 H new ATOM 364 N PHE A 26 -0.149 -4.880 -4.021 1.00 0.00 N ATOM 365 CA PHE A 26 1.261 -4.652 -3.755 1.00 0.00 C ATOM 366 C PHE A 26 1.722 -5.443 -2.529 1.00 0.00 C ATOM 367 O PHE A 26 1.001 -5.534 -1.537 1.00 0.00 O ATOM 368 CB PHE A 26 1.427 -3.157 -3.474 1.00 0.00 C ATOM 369 CG PHE A 26 2.869 -2.734 -3.187 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.414 -2.965 -1.963 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.605 -2.127 -4.156 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.752 -2.573 -1.696 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.944 -1.735 -3.889 1.00 0.00 C ATOM 374 CZ PHE A 26 5.489 -1.966 -2.665 1.00 0.00 C ATOM 0 H PHE A 26 -0.783 -4.257 -3.521 1.00 0.00 H new ATOM 0 HA PHE A 26 1.858 -4.975 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.058 -2.594 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.803 -2.887 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.829 -3.447 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.172 -1.943 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.185 -2.757 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.529 -1.253 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.507 -1.668 -2.462 1.00 0.00 H new ATOM 384 N ASN A 27 2.922 -5.995 -2.639 1.00 0.00 N ATOM 385 CA ASN A 27 3.488 -6.776 -1.552 1.00 0.00 C ATOM 386 C ASN A 27 4.763 -6.094 -1.050 1.00 0.00 C ATOM 387 O ASN A 27 5.648 -5.766 -1.839 1.00 0.00 O ATOM 388 CB ASN A 27 3.859 -8.184 -2.020 1.00 0.00 C ATOM 389 CG ASN A 27 3.533 -9.223 -0.945 1.00 0.00 C ATOM 390 OD1 ASN A 27 2.506 -9.881 -0.972 1.00 0.00 O ATOM 391 ND2 ASN A 27 4.462 -9.333 0.000 1.00 0.00 N ATOM 0 H ASN A 27 3.517 -5.917 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 27 2.741 -6.844 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.318 -8.421 -2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.922 -8.224 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.338 -9.999 0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.299 -8.751 -0.037 1.00 0.00 H new ATOM 398 N ALA A 28 4.816 -5.900 0.259 1.00 0.00 N ATOM 399 CA ALA A 28 5.967 -5.263 0.876 1.00 0.00 C ATOM 400 C ALA A 28 7.217 -6.102 0.600 1.00 0.00 C ATOM 401 O ALA A 28 7.258 -7.287 0.928 1.00 0.00 O ATOM 402 CB ALA A 28 5.708 -5.077 2.372 1.00 0.00 C ATOM 0 H ALA A 28 4.080 -6.173 0.910 1.00 0.00 H new ATOM 0 HA ALA A 28 6.133 -4.274 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.572 -4.599 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.828 -4.450 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.540 -6.049 2.836 1.00 0.00 H new ATOM 408 N ALA A 29 8.205 -5.454 0.001 1.00 0.00 N ATOM 409 CA ALA A 29 9.452 -6.125 -0.322 1.00 0.00 C ATOM 410 C ALA A 29 10.549 -5.641 0.630 1.00 0.00 C ATOM 411 O ALA A 29 11.350 -6.438 1.115 1.00 0.00 O ATOM 412 CB ALA A 29 9.802 -5.875 -1.790 1.00 0.00 C ATOM 0 H ALA A 29 8.167 -4.471 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 29 9.353 -7.202 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.738 -6.379 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.006 -6.264 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.912 -4.804 -1.961 1.00 0.00 H new ATOM 418 N GLN A 30 10.548 -4.338 0.867 1.00 0.00 N ATOM 419 CA GLN A 30 11.532 -3.738 1.752 1.00 0.00 C ATOM 420 C GLN A 30 10.925 -3.498 3.136 1.00 0.00 C ATOM 421 O GLN A 30 9.768 -3.837 3.378 1.00 0.00 O ATOM 422 CB GLN A 30 12.081 -2.439 1.161 1.00 0.00 C ATOM 423 CG GLN A 30 13.194 -2.723 0.150 1.00 0.00 C ATOM 424 CD GLN A 30 12.616 -3.215 -1.178 1.00 0.00 C ATOM 425 OE1 GLN A 30 12.649 -4.391 -1.502 1.00 0.00 O ATOM 426 NE2 GLN A 30 12.085 -2.252 -1.927 1.00 0.00 N ATOM 0 H GLN A 30 9.882 -3.681 0.462 1.00 0.00 H new ATOM 0 HA GLN A 30 12.367 -4.431 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.276 -1.888 0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.464 -1.805 1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.778 -1.818 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.875 -3.472 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.090 -1.287 -1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.673 -2.479 -2.832 1.00 0.00 H new ATOM 435 N ASP A 31 11.734 -2.914 4.008 1.00 0.00 N ATOM 436 CA ASP A 31 11.291 -2.624 5.361 1.00 0.00 C ATOM 437 C ASP A 31 10.490 -1.321 5.363 1.00 0.00 C ATOM 438 O ASP A 31 9.773 -1.030 6.319 1.00 0.00 O ATOM 439 CB ASP A 31 12.483 -2.447 6.305 1.00 0.00 C ATOM 440 CG ASP A 31 12.143 -2.509 7.795 1.00 0.00 C ATOM 441 OD1 ASP A 31 10.938 -2.654 8.097 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.094 -2.410 8.599 1.00 0.00 O ATOM 0 H ASP A 31 12.693 -2.634 3.804 1.00 0.00 H new ATOM 0 HA ASP A 31 10.681 -3.460 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.220 -3.219 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.954 -1.487 6.095 1.00 0.00 H new ATOM 447 N LEU A 32 10.638 -0.571 4.281 1.00 0.00 N ATOM 448 CA LEU A 32 9.937 0.694 4.145 1.00 0.00 C ATOM 449 C LEU A 32 8.620 0.466 3.399 1.00 0.00 C ATOM 450 O LEU A 32 7.656 1.204 3.594 1.00 0.00 O ATOM 451 CB LEU A 32 10.841 1.741 3.490 1.00 0.00 C ATOM 452 CG LEU A 32 11.999 2.256 4.346 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.864 3.244 3.561 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.488 2.858 5.656 1.00 0.00 C ATOM 0 H LEU A 32 11.234 -0.815 3.490 1.00 0.00 H new ATOM 0 HA LEU A 32 9.683 1.095 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.253 1.315 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.225 2.592 3.197 1.00 0.00 H new ATOM 0 HG LEU A 32 12.633 1.409 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.680 3.595 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.274 2.749 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.255 4.093 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.332 3.216 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.819 3.690 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.949 2.097 6.220 1.00 0.00 H new ATOM 466 N ASP A 33 8.623 -0.561 2.561 1.00 0.00 N ATOM 467 CA ASP A 33 7.441 -0.896 1.786 1.00 0.00 C ATOM 468 C ASP A 33 6.348 -1.410 2.725 1.00 0.00 C ATOM 469 O ASP A 33 6.644 -1.955 3.787 1.00 0.00 O ATOM 470 CB ASP A 33 7.744 -1.997 0.767 1.00 0.00 C ATOM 471 CG ASP A 33 8.602 -1.559 -0.422 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.406 -0.621 -0.227 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.435 -2.171 -1.498 1.00 0.00 O ATOM 0 H ASP A 33 9.425 -1.171 2.402 1.00 0.00 H new ATOM 0 HA ASP A 33 7.117 0.003 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.250 -2.816 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.801 -2.391 0.389 1.00 0.00 H new ATOM 478 N VAL A 34 5.108 -1.217 2.300 1.00 0.00 N ATOM 479 CA VAL A 34 3.970 -1.654 3.090 1.00 0.00 C ATOM 480 C VAL A 34 2.916 -2.266 2.164 1.00 0.00 C ATOM 481 O VAL A 34 2.545 -1.664 1.158 1.00 0.00 O ATOM 482 CB VAL A 34 3.431 -0.488 3.921 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.567 0.427 4.382 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.374 0.298 3.142 1.00 0.00 C ATOM 0 H VAL A 34 4.867 -0.764 1.419 1.00 0.00 H new ATOM 0 HA VAL A 34 4.270 -2.428 3.797 1.00 0.00 H new ATOM 0 HB VAL A 34 2.953 -0.901 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.157 1.248 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.268 -0.142 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.087 0.829 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.007 1.121 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.816 0.695 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.545 -0.362 2.887 1.00 0.00 H new ATOM 494 N SER A 35 2.464 -3.453 2.538 1.00 0.00 N ATOM 495 CA SER A 35 1.460 -4.153 1.754 1.00 0.00 C ATOM 496 C SER A 35 0.254 -3.242 1.515 1.00 0.00 C ATOM 497 O SER A 35 -0.084 -2.418 2.363 1.00 0.00 O ATOM 498 CB SER A 35 1.020 -5.444 2.447 1.00 0.00 C ATOM 499 OG SER A 35 2.129 -6.180 2.957 1.00 0.00 O ATOM 0 H SER A 35 2.774 -3.949 3.374 1.00 0.00 H new ATOM 0 HA SER A 35 1.902 -4.421 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.338 -5.204 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.467 -6.064 1.742 1.00 0.00 H new ATOM 0 HG SER A 35 1.807 -6.996 3.393 1.00 0.00 H new ATOM 505 N LEU A 36 -0.361 -3.420 0.355 1.00 0.00 N ATOM 506 CA LEU A 36 -1.522 -2.624 -0.007 1.00 0.00 C ATOM 507 C LEU A 36 -2.538 -3.511 -0.729 1.00 0.00 C ATOM 508 O LEU A 36 -2.357 -4.725 -0.815 1.00 0.00 O ATOM 509 CB LEU A 36 -1.098 -1.394 -0.811 1.00 0.00 C ATOM 510 CG LEU A 36 -0.529 -0.226 -0.001 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.150 0.941 -0.914 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.501 0.201 1.101 1.00 0.00 C ATOM 0 H LEU A 36 -0.077 -4.104 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.013 -2.238 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.350 -1.702 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.962 -1.035 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 36 0.385 -0.562 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.251 1.757 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.603 0.613 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.034 1.286 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.073 1.032 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.444 0.513 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.679 -0.638 1.774 1.00 0.00 H new ATOM 524 N LEU A 37 -3.584 -2.871 -1.230 1.00 0.00 N ATOM 525 CA LEU A 37 -4.629 -3.586 -1.943 1.00 0.00 C ATOM 526 C LEU A 37 -5.006 -2.806 -3.204 1.00 0.00 C ATOM 527 O LEU A 37 -5.067 -1.578 -3.183 1.00 0.00 O ATOM 528 CB LEU A 37 -5.813 -3.867 -1.016 1.00 0.00 C ATOM 529 CG LEU A 37 -5.798 -5.219 -0.299 1.00 0.00 C ATOM 530 CD1 LEU A 37 -6.948 -5.320 0.705 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.811 -6.373 -1.304 1.00 0.00 C ATOM 0 H LEU A 37 -3.730 -1.864 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.270 -4.562 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.854 -3.080 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.731 -3.798 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.869 -5.295 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.914 -6.290 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.852 -4.529 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.898 -5.213 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.800 -7.322 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.711 -6.312 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.931 -6.308 -1.944 1.00 0.00 H new ATOM 543 N GLU A 38 -5.250 -3.552 -4.271 1.00 0.00 N ATOM 544 CA GLU A 38 -5.620 -2.946 -5.539 1.00 0.00 C ATOM 545 C GLU A 38 -6.871 -2.082 -5.369 1.00 0.00 C ATOM 546 O GLU A 38 -7.137 -1.201 -6.186 1.00 0.00 O ATOM 547 CB GLU A 38 -5.831 -4.013 -6.615 1.00 0.00 C ATOM 548 CG GLU A 38 -6.791 -5.100 -6.128 1.00 0.00 C ATOM 549 CD GLU A 38 -7.270 -5.970 -7.293 1.00 0.00 C ATOM 550 OE1 GLU A 38 -6.442 -6.765 -7.786 1.00 0.00 O ATOM 551 OE2 GLU A 38 -8.455 -5.820 -7.663 1.00 0.00 O ATOM 0 H GLU A 38 -5.199 -4.571 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.802 -2.304 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.228 -3.550 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.873 -4.461 -6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.294 -5.723 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.648 -4.640 -5.637 1.00 0.00 H new ATOM 558 N GLY A 39 -7.606 -2.365 -4.304 1.00 0.00 N ATOM 559 CA GLY A 39 -8.823 -1.625 -4.017 1.00 0.00 C ATOM 560 C GLY A 39 -8.559 -0.506 -3.007 1.00 0.00 C ATOM 561 O GLY A 39 -9.406 0.362 -2.802 1.00 0.00 O ATOM 0 H GLY A 39 -7.382 -3.097 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.221 -1.201 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.581 -2.303 -3.624 1.00 0.00 H new ATOM 565 N ASP A 40 -7.380 -0.562 -2.404 1.00 0.00 N ATOM 566 CA ASP A 40 -6.994 0.435 -1.421 1.00 0.00 C ATOM 567 C ASP A 40 -6.545 1.708 -2.142 1.00 0.00 C ATOM 568 O ASP A 40 -6.018 1.644 -3.251 1.00 0.00 O ATOM 569 CB ASP A 40 -5.827 -0.059 -0.564 1.00 0.00 C ATOM 570 CG ASP A 40 -6.228 -0.896 0.653 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.438 -1.188 0.767 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.315 -1.225 1.441 1.00 0.00 O ATOM 0 H ASP A 40 -6.680 -1.283 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.855 0.628 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.161 -0.652 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.257 0.804 -0.221 1.00 0.00 H new ATOM 577 N LEU A 41 -6.771 2.835 -1.482 1.00 0.00 N ATOM 578 CA LEU A 41 -6.396 4.120 -2.046 1.00 0.00 C ATOM 579 C LEU A 41 -5.249 4.717 -1.228 1.00 0.00 C ATOM 580 O LEU A 41 -5.067 4.368 -0.063 1.00 0.00 O ATOM 581 CB LEU A 41 -7.618 5.036 -2.151 1.00 0.00 C ATOM 582 CG LEU A 41 -7.501 6.199 -3.139 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.276 5.688 -4.563 1.00 0.00 C ATOM 584 CD2 LEU A 41 -8.719 7.121 -3.046 1.00 0.00 C ATOM 0 H LEU A 41 -7.209 2.884 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.030 3.996 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.479 4.430 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.827 5.445 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.627 6.791 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.196 6.535 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.356 5.105 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.115 5.060 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.611 7.939 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.622 6.556 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.793 7.526 -2.037 1.00 0.00 H new ATOM 596 N VAL A 42 -4.506 5.606 -1.870 1.00 0.00 N ATOM 597 CA VAL A 42 -3.382 6.254 -1.217 1.00 0.00 C ATOM 598 C VAL A 42 -3.227 7.673 -1.766 1.00 0.00 C ATOM 599 O VAL A 42 -3.707 7.976 -2.857 1.00 0.00 O ATOM 600 CB VAL A 42 -2.119 5.406 -1.385 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.351 3.975 -0.897 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.640 5.419 -2.838 1.00 0.00 C ATOM 0 H VAL A 42 -4.661 5.893 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.560 6.338 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.335 5.847 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.438 3.394 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.624 3.990 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.156 3.520 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.741 4.809 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.421 5.015 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.416 6.443 -3.138 1.00 0.00 H new ATOM 612 N GLY A 43 -2.554 8.506 -0.985 1.00 0.00 N ATOM 613 CA GLY A 43 -2.330 9.886 -1.380 1.00 0.00 C ATOM 614 C GLY A 43 -0.835 10.205 -1.433 1.00 0.00 C ATOM 615 O GLY A 43 -0.190 10.348 -0.395 1.00 0.00 O ATOM 0 H GLY A 43 -2.157 8.251 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.779 10.066 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.823 10.555 -0.675 1.00 0.00 H new ATOM 619 N VAL A 44 -0.326 10.307 -2.652 1.00 0.00 N ATOM 620 CA VAL A 44 1.081 10.607 -2.853 1.00 0.00 C ATOM 621 C VAL A 44 1.504 11.720 -1.892 1.00 0.00 C ATOM 622 O VAL A 44 0.825 12.740 -1.781 1.00 0.00 O ATOM 623 CB VAL A 44 1.337 10.955 -4.321 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.641 11.739 -4.479 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.346 9.695 -5.190 1.00 0.00 C ATOM 0 H VAL A 44 -0.863 10.187 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 44 1.693 9.734 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 44 0.520 11.591 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.799 11.974 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.581 12.664 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.473 11.138 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.530 9.971 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.133 9.023 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.381 9.193 -5.113 1.00 0.00 H new ATOM 635 N ILE A 45 2.623 11.486 -1.222 1.00 0.00 N ATOM 636 CA ILE A 45 3.144 12.456 -0.274 1.00 0.00 C ATOM 637 C ILE A 45 4.396 13.112 -0.859 1.00 0.00 C ATOM 638 O ILE A 45 4.472 14.336 -0.956 1.00 0.00 O ATOM 639 CB ILE A 45 3.372 11.803 1.090 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.064 11.707 1.878 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.462 12.537 1.874 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.216 10.775 3.082 1.00 0.00 C ATOM 0 H ILE A 45 3.183 10.639 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 45 2.417 13.250 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 45 3.724 10.784 0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.766 12.699 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.270 11.340 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.604 12.052 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.396 12.508 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.163 13.574 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.272 10.725 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.490 9.778 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.994 11.158 3.742 1.00 0.00 H new ATOM 654 N LYS A 46 5.347 12.269 -1.235 1.00 0.00 N ATOM 655 CA LYS A 46 6.592 12.752 -1.808 1.00 0.00 C ATOM 656 C LYS A 46 6.863 12.016 -3.121 1.00 0.00 C ATOM 657 O LYS A 46 6.672 10.804 -3.209 1.00 0.00 O ATOM 658 CB LYS A 46 7.730 12.636 -0.792 1.00 0.00 C ATOM 659 CG LYS A 46 8.234 14.018 -0.373 1.00 0.00 C ATOM 660 CD LYS A 46 7.193 14.747 0.480 1.00 0.00 C ATOM 661 CE LYS A 46 7.834 15.890 1.269 1.00 0.00 C ATOM 662 NZ LYS A 46 6.824 16.920 1.601 1.00 0.00 N ATOM 0 H LYS A 46 5.280 11.254 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 46 6.515 13.813 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.384 12.090 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.550 12.061 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.162 13.915 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.462 14.610 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.404 15.140 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.724 14.044 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.281 15.502 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.639 16.336 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.275 17.689 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.416 17.302 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.070 16.494 2.176 1.00 0.00 H new ATOM 676 N LYS A 47 7.304 12.780 -4.110 1.00 0.00 N ATOM 677 CA LYS A 47 7.603 12.215 -5.415 1.00 0.00 C ATOM 678 C LYS A 47 9.100 11.911 -5.503 1.00 0.00 C ATOM 679 O LYS A 47 9.647 11.781 -6.597 1.00 0.00 O ATOM 680 CB LYS A 47 7.097 13.137 -6.527 1.00 0.00 C ATOM 681 CG LYS A 47 5.569 13.118 -6.600 1.00 0.00 C ATOM 682 CD LYS A 47 5.071 13.846 -7.851 1.00 0.00 C ATOM 683 CE LYS A 47 3.589 13.560 -8.099 1.00 0.00 C ATOM 684 NZ LYS A 47 2.964 14.674 -8.846 1.00 0.00 N ATOM 0 H LYS A 47 7.461 13.785 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 47 7.076 11.270 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.444 14.155 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.515 12.823 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.215 12.087 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.153 13.590 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.224 14.919 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.655 13.532 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.481 12.632 -8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.076 13.419 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.958 14.464 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.051 15.553 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.443 14.790 -9.762 1.00 0.00 H new ATOM 698 N LYS A 48 9.719 11.805 -4.337 1.00 0.00 N ATOM 699 CA LYS A 48 11.142 11.518 -4.268 1.00 0.00 C ATOM 700 C LYS A 48 11.420 10.625 -3.058 1.00 0.00 C ATOM 701 O LYS A 48 10.791 10.778 -2.012 1.00 0.00 O ATOM 702 CB LYS A 48 11.951 12.817 -4.274 1.00 0.00 C ATOM 703 CG LYS A 48 12.697 12.993 -5.598 1.00 0.00 C ATOM 704 CD LYS A 48 14.204 13.125 -5.366 1.00 0.00 C ATOM 705 CE LYS A 48 14.807 14.195 -6.277 1.00 0.00 C ATOM 706 NZ LYS A 48 15.948 13.642 -7.041 1.00 0.00 N ATOM 0 H LYS A 48 9.261 11.913 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 48 11.463 10.966 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.285 13.665 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.664 12.809 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.499 12.140 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.326 13.879 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.394 13.381 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.690 12.167 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.047 14.566 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.139 15.044 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.346 14.381 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.679 13.309 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.621 12.846 -7.625 1.00 0.00 H new ATOM 720 N ASP A 49 12.363 9.713 -3.240 1.00 0.00 N ATOM 721 CA ASP A 49 12.732 8.795 -2.175 1.00 0.00 C ATOM 722 C ASP A 49 14.103 9.188 -1.622 1.00 0.00 C ATOM 723 O ASP A 49 14.864 9.895 -2.281 1.00 0.00 O ATOM 724 CB ASP A 49 12.826 7.359 -2.694 1.00 0.00 C ATOM 725 CG ASP A 49 13.364 7.220 -4.119 1.00 0.00 C ATOM 726 OD1 ASP A 49 14.516 7.655 -4.336 1.00 0.00 O ATOM 727 OD2 ASP A 49 12.612 6.681 -4.960 1.00 0.00 O ATOM 0 H ASP A 49 12.883 9.590 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 49 11.966 8.850 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.467 6.787 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.835 6.907 -2.650 1.00 0.00 H new ATOM 732 N PRO A 50 14.385 8.700 -0.384 1.00 0.00 N ATOM 733 CA PRO A 50 15.651 8.993 0.266 1.00 0.00 C ATOM 734 C PRO A 50 16.786 8.175 -0.352 1.00 0.00 C ATOM 735 O PRO A 50 17.445 7.399 0.339 1.00 0.00 O ATOM 736 CB PRO A 50 15.422 8.676 1.735 1.00 0.00 C ATOM 737 CG PRO A 50 14.193 7.782 1.782 1.00 0.00 C ATOM 738 CD PRO A 50 13.508 7.860 0.427 1.00 0.00 C ATOM 0 HA PRO A 50 15.958 10.031 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.288 8.173 2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.264 9.588 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.477 6.754 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.515 8.106 2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.389 6.870 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.511 8.294 0.511 1.00 0.00 H new ATOM 746 N MET A 51 16.981 8.377 -1.647 1.00 0.00 N ATOM 747 CA MET A 51 18.026 7.668 -2.366 1.00 0.00 C ATOM 748 C MET A 51 18.392 8.397 -3.661 1.00 0.00 C ATOM 749 O MET A 51 19.570 8.584 -3.960 1.00 0.00 O ATOM 750 CB MET A 51 17.549 6.252 -2.694 1.00 0.00 C ATOM 751 CG MET A 51 17.942 5.271 -1.588 1.00 0.00 C ATOM 752 SD MET A 51 18.826 3.886 -2.285 1.00 0.00 S ATOM 753 CE MET A 51 17.473 2.750 -2.539 1.00 0.00 C ATOM 0 H MET A 51 16.433 9.021 -2.217 1.00 0.00 H new ATOM 0 HA MET A 51 18.912 7.625 -1.733 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.466 6.249 -2.820 1.00 0.00 H new ATOM 0 HB3 MET A 51 17.981 5.929 -3.641 1.00 0.00 H new ATOM 0 HG2 MET A 51 18.564 5.775 -0.848 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.050 4.920 -1.069 1.00 0.00 H new ATOM 0 HE1 MET A 51 17.852 1.824 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 51 16.995 2.534 -1.584 1.00 0.00 H new ATOM 0 HE3 MET A 51 16.745 3.197 -3.216 1.00 0.00 H new ATOM 763 N GLY A 52 17.360 8.788 -4.394 1.00 0.00 N ATOM 764 CA GLY A 52 17.559 9.492 -5.649 1.00 0.00 C ATOM 765 C GLY A 52 16.929 8.725 -6.814 1.00 0.00 C ATOM 766 O GLY A 52 17.638 8.194 -7.667 1.00 0.00 O ATOM 0 H GLY A 52 16.384 8.631 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.120 10.488 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.626 9.625 -5.831 1.00 0.00 H new ATOM 770 N SER A 53 15.604 8.691 -6.811 1.00 0.00 N ATOM 771 CA SER A 53 14.871 7.997 -7.856 1.00 0.00 C ATOM 772 C SER A 53 13.386 8.355 -7.779 1.00 0.00 C ATOM 773 O SER A 53 12.797 8.348 -6.700 1.00 0.00 O ATOM 774 CB SER A 53 15.058 6.482 -7.747 1.00 0.00 C ATOM 775 OG SER A 53 15.346 5.888 -9.010 1.00 0.00 O ATOM 0 H SER A 53 15.020 9.133 -6.101 1.00 0.00 H new ATOM 0 HA SER A 53 15.266 8.316 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.869 6.266 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.155 6.034 -7.333 1.00 0.00 H new ATOM 0 HG SER A 53 14.507 5.683 -9.474 1.00 0.00 H new ATOM 781 N GLN A 54 12.823 8.660 -8.939 1.00 0.00 N ATOM 782 CA GLN A 54 11.417 9.021 -9.017 1.00 0.00 C ATOM 783 C GLN A 54 10.562 7.774 -9.255 1.00 0.00 C ATOM 784 O GLN A 54 9.342 7.868 -9.375 1.00 0.00 O ATOM 785 CB GLN A 54 11.179 10.065 -10.109 1.00 0.00 C ATOM 786 CG GLN A 54 10.936 9.397 -11.464 1.00 0.00 C ATOM 787 CD GLN A 54 12.183 8.646 -11.936 1.00 0.00 C ATOM 788 OE1 GLN A 54 13.162 9.228 -12.373 1.00 0.00 O ATOM 789 NE2 GLN A 54 12.092 7.323 -11.824 1.00 0.00 N ATOM 0 H GLN A 54 13.315 8.665 -9.833 1.00 0.00 H new ATOM 0 HA GLN A 54 11.122 9.464 -8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.321 10.683 -9.845 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.041 10.729 -10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.097 8.705 -11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.660 10.151 -12.201 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.243 6.900 -11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.872 6.732 -12.113 1.00 0.00 H new ATOM 798 N ASN A 55 11.237 6.636 -9.316 1.00 0.00 N ATOM 799 CA ASN A 55 10.554 5.372 -9.537 1.00 0.00 C ATOM 800 C ASN A 55 9.698 5.039 -8.313 1.00 0.00 C ATOM 801 O ASN A 55 8.559 4.597 -8.450 1.00 0.00 O ATOM 802 CB ASN A 55 11.555 4.233 -9.739 1.00 0.00 C ATOM 803 CG ASN A 55 12.346 4.421 -11.035 1.00 0.00 C ATOM 804 OD1 ASN A 55 13.438 4.965 -11.053 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.736 3.941 -12.115 1.00 0.00 N ATOM 0 H ASN A 55 12.249 6.562 -9.216 1.00 0.00 H new ATOM 0 HA ASN A 55 9.938 5.473 -10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.241 4.193 -8.893 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.026 3.280 -9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.182 4.017 -13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.822 3.497 -12.029 1.00 0.00 H new ATOM 812 N ARG A 56 10.281 5.264 -7.145 1.00 0.00 N ATOM 813 CA ARG A 56 9.586 4.993 -5.898 1.00 0.00 C ATOM 814 C ARG A 56 9.128 6.301 -5.250 1.00 0.00 C ATOM 815 O ARG A 56 9.919 7.229 -5.090 1.00 0.00 O ATOM 816 CB ARG A 56 10.485 4.235 -4.919 1.00 0.00 C ATOM 817 CG ARG A 56 9.655 3.533 -3.843 1.00 0.00 C ATOM 818 CD ARG A 56 10.460 2.419 -3.169 1.00 0.00 C ATOM 819 NE ARG A 56 11.382 2.997 -2.166 1.00 0.00 N ATOM 820 CZ ARG A 56 11.913 2.306 -1.148 1.00 0.00 C ATOM 821 NH1 ARG A 56 11.618 1.008 -0.993 1.00 0.00 N ATOM 822 NH2 ARG A 56 12.740 2.913 -0.285 1.00 0.00 N ATOM 0 H ARG A 56 11.226 5.631 -7.036 1.00 0.00 H new ATOM 0 HA ARG A 56 8.719 4.375 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.080 3.500 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.183 4.928 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.334 4.258 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.753 3.115 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.785 1.711 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.025 1.864 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 56 11.629 3.983 -2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.989 0.546 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.022 0.482 -0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.965 3.901 -0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.144 2.387 0.490 1.00 0.00 H new ATOM 836 N TRP A 57 7.852 6.334 -4.895 1.00 0.00 N ATOM 837 CA TRP A 57 7.279 7.513 -4.268 1.00 0.00 C ATOM 838 C TRP A 57 6.736 7.103 -2.898 1.00 0.00 C ATOM 839 O TRP A 57 6.497 5.923 -2.648 1.00 0.00 O ATOM 840 CB TRP A 57 6.217 8.150 -5.167 1.00 0.00 C ATOM 841 CG TRP A 57 6.787 8.866 -6.393 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.064 9.188 -6.641 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.043 9.338 -7.536 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.197 9.831 -7.855 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.929 9.925 -8.416 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.667 9.271 -7.816 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.537 10.490 -9.635 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.291 9.841 -9.039 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.170 10.436 -9.936 1.00 0.00 C ATOM 0 H TRP A 57 7.198 5.563 -5.030 1.00 0.00 H new ATOM 0 HA TRP A 57 8.038 8.282 -4.125 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.526 7.376 -5.500 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.638 8.863 -4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.886 8.972 -5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.066 10.174 -8.265 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.956 8.816 -7.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.250 10.943 -10.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.244 9.816 -9.304 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.801 10.855 -10.861 1.00 0.00 H new ATOM 860 N LEU A 58 6.556 8.102 -2.046 1.00 0.00 N ATOM 861 CA LEU A 58 6.045 7.860 -0.707 1.00 0.00 C ATOM 862 C LEU A 58 4.555 8.205 -0.665 1.00 0.00 C ATOM 863 O LEU A 58 4.170 9.343 -0.926 1.00 0.00 O ATOM 864 CB LEU A 58 6.880 8.614 0.329 1.00 0.00 C ATOM 865 CG LEU A 58 6.376 8.551 1.772 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.495 7.132 2.333 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.095 9.577 2.650 1.00 0.00 C ATOM 0 H LEU A 58 6.755 9.080 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 58 6.136 6.805 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.896 8.221 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.935 9.661 0.030 1.00 0.00 H new ATOM 0 HG LEU A 58 5.317 8.811 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.130 7.115 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.901 6.450 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.539 6.820 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.718 9.511 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.166 9.373 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.915 10.579 2.261 1.00 0.00 H new ATOM 879 N ILE A 59 3.757 7.200 -0.334 1.00 0.00 N ATOM 880 CA ILE A 59 2.318 7.382 -0.254 1.00 0.00 C ATOM 881 C ILE A 59 1.840 7.022 1.154 1.00 0.00 C ATOM 882 O ILE A 59 2.595 6.459 1.945 1.00 0.00 O ATOM 883 CB ILE A 59 1.615 6.595 -1.362 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.866 5.093 -1.211 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.026 7.109 -2.743 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.177 4.546 0.041 1.00 0.00 C ATOM 0 H ILE A 59 4.080 6.257 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 59 2.057 8.427 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 59 0.541 6.753 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.497 4.568 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.938 4.904 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.513 6.533 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.755 8.161 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.104 7.000 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.371 3.477 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.566 5.056 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.103 4.715 -0.032 1.00 0.00 H new ATOM 898 N ASP A 60 0.588 7.361 1.425 1.00 0.00 N ATOM 899 CA ASP A 60 0.000 7.080 2.724 1.00 0.00 C ATOM 900 C ASP A 60 -1.279 6.262 2.534 1.00 0.00 C ATOM 901 O ASP A 60 -2.186 6.680 1.817 1.00 0.00 O ATOM 902 CB ASP A 60 -0.370 8.374 3.452 1.00 0.00 C ATOM 903 CG ASP A 60 -0.577 8.229 4.961 1.00 0.00 C ATOM 904 OD1 ASP A 60 -1.277 7.269 5.348 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.032 9.083 5.694 1.00 0.00 O ATOM 0 H ASP A 60 -0.036 7.828 0.767 1.00 0.00 H new ATOM 0 HA ASP A 60 0.733 6.531 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.415 9.109 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.284 8.773 3.012 1.00 0.00 H new ATOM 910 N ASN A 61 -1.309 5.111 3.189 1.00 0.00 N ATOM 911 CA ASN A 61 -2.462 4.231 3.101 1.00 0.00 C ATOM 912 C ASN A 61 -3.430 4.550 4.242 1.00 0.00 C ATOM 913 O ASN A 61 -4.233 3.705 4.635 1.00 0.00 O ATOM 914 CB ASN A 61 -2.046 2.764 3.231 1.00 0.00 C ATOM 915 CG ASN A 61 -1.738 2.408 4.687 1.00 0.00 C ATOM 916 OD1 ASN A 61 -2.591 1.965 5.438 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.475 2.627 5.042 1.00 0.00 N ATOM 0 H ASN A 61 -0.554 4.767 3.783 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.933 4.388 2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.843 2.122 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.168 2.575 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.170 2.422 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.188 3.000 4.363 1.00 0.00 H new ATOM 924 N GLY A 62 -3.323 5.773 4.741 1.00 0.00 N ATOM 925 CA GLY A 62 -4.180 6.215 5.829 1.00 0.00 C ATOM 926 C GLY A 62 -3.838 5.482 7.128 1.00 0.00 C ATOM 927 O GLY A 62 -4.690 5.331 8.002 1.00 0.00 O ATOM 0 H GLY A 62 -2.656 6.471 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.067 7.290 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.224 6.036 5.570 1.00 0.00 H new ATOM 931 N VAL A 63 -2.589 5.048 7.213 1.00 0.00 N ATOM 932 CA VAL A 63 -2.124 4.335 8.391 1.00 0.00 C ATOM 933 C VAL A 63 -0.694 4.773 8.716 1.00 0.00 C ATOM 934 O VAL A 63 -0.433 5.302 9.796 1.00 0.00 O ATOM 935 CB VAL A 63 -2.251 2.826 8.174 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.795 2.053 9.413 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.682 2.447 7.787 1.00 0.00 C ATOM 0 H VAL A 63 -1.885 5.176 6.486 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.744 4.579 9.254 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.596 2.550 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.896 0.983 9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.752 2.289 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.412 2.336 10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.745 1.369 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.365 2.744 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.956 2.957 6.864 1.00 0.00 H new ATOM 947 N THR A 64 0.194 4.538 7.761 1.00 0.00 N ATOM 948 CA THR A 64 1.590 4.902 7.932 1.00 0.00 C ATOM 949 C THR A 64 2.160 5.457 6.625 1.00 0.00 C ATOM 950 O THR A 64 1.431 6.037 5.822 1.00 0.00 O ATOM 951 CB THR A 64 2.340 3.672 8.449 1.00 0.00 C ATOM 952 OG1 THR A 64 3.665 4.144 8.677 1.00 0.00 O ATOM 953 CG2 THR A 64 2.507 2.595 7.375 1.00 0.00 C ATOM 0 H THR A 64 -0.026 4.100 6.867 1.00 0.00 H new ATOM 0 HA THR A 64 1.704 5.701 8.665 1.00 0.00 H new ATOM 0 HB THR A 64 1.807 3.254 9.303 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.220 3.411 9.016 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.045 1.744 7.793 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.525 2.270 7.030 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.070 3.003 6.535 1.00 0.00 H new ATOM 961 N LYS A 65 3.459 5.259 6.453 1.00 0.00 N ATOM 962 CA LYS A 65 4.136 5.732 5.257 1.00 0.00 C ATOM 963 C LYS A 65 4.854 4.560 4.585 1.00 0.00 C ATOM 964 O LYS A 65 5.714 3.924 5.192 1.00 0.00 O ATOM 965 CB LYS A 65 5.057 6.907 5.592 1.00 0.00 C ATOM 966 CG LYS A 65 4.270 8.218 5.663 1.00 0.00 C ATOM 967 CD LYS A 65 5.116 9.333 6.280 1.00 0.00 C ATOM 968 CE LYS A 65 4.394 10.679 6.198 1.00 0.00 C ATOM 969 NZ LYS A 65 4.564 11.436 7.458 1.00 0.00 N ATOM 0 H LYS A 65 4.060 4.778 7.122 1.00 0.00 H new ATOM 0 HA LYS A 65 3.414 6.118 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.553 6.724 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.838 6.988 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.952 8.510 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.367 8.072 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.333 9.096 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.073 9.397 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.787 11.259 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.334 10.518 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.068 12.347 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.168 10.888 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.576 11.606 7.627 1.00 0.00 H new ATOM 983 N GLY A 66 4.474 4.310 3.341 1.00 0.00 N ATOM 984 CA GLY A 66 5.071 3.226 2.580 1.00 0.00 C ATOM 985 C GLY A 66 5.597 3.726 1.233 1.00 0.00 C ATOM 986 O GLY A 66 5.119 4.732 0.710 1.00 0.00 O ATOM 0 H GLY A 66 3.760 4.840 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.887 2.782 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.332 2.441 2.417 1.00 0.00 H new ATOM 990 N PHE A 67 6.574 3.000 0.709 1.00 0.00 N ATOM 991 CA PHE A 67 7.170 3.358 -0.567 1.00 0.00 C ATOM 992 C PHE A 67 6.829 2.322 -1.641 1.00 0.00 C ATOM 993 O PHE A 67 7.082 1.132 -1.463 1.00 0.00 O ATOM 994 CB PHE A 67 8.686 3.382 -0.362 1.00 0.00 C ATOM 995 CG PHE A 67 9.201 4.653 0.316 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.183 4.756 1.672 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.678 5.680 -0.438 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.662 5.935 2.301 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.157 6.859 0.192 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.139 6.962 1.548 1.00 0.00 C ATOM 0 H PHE A 67 6.968 2.166 1.145 1.00 0.00 H new ATOM 0 HA PHE A 67 6.789 4.324 -0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.975 2.519 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.175 3.275 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.804 3.941 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.692 5.599 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.648 6.016 3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.536 7.675 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.503 7.859 2.027 1.00 0.00 H new ATOM 1010 N VAL A 68 6.259 2.813 -2.732 1.00 0.00 N ATOM 1011 CA VAL A 68 5.881 1.945 -3.834 1.00 0.00 C ATOM 1012 C VAL A 68 6.234 2.626 -5.158 1.00 0.00 C ATOM 1013 O VAL A 68 6.676 3.774 -5.171 1.00 0.00 O ATOM 1014 CB VAL A 68 4.399 1.579 -3.727 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.148 0.657 -2.532 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.529 2.834 -3.645 1.00 0.00 C ATOM 0 H VAL A 68 6.050 3.801 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 68 6.438 1.009 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 68 4.120 1.038 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.087 0.412 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.727 -0.259 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.451 1.161 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.481 2.546 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.810 3.415 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.676 3.438 -4.541 1.00 0.00 H new ATOM 1026 N TYR A 69 6.027 1.889 -6.239 1.00 0.00 N ATOM 1027 CA TYR A 69 6.318 2.407 -7.565 1.00 0.00 C ATOM 1028 C TYR A 69 5.062 2.994 -8.212 1.00 0.00 C ATOM 1029 O TYR A 69 3.996 2.382 -8.173 1.00 0.00 O ATOM 1030 CB TYR A 69 6.791 1.209 -8.392 1.00 0.00 C ATOM 1031 CG TYR A 69 8.037 0.521 -7.832 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.136 1.272 -7.466 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.063 -0.852 -7.693 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.308 0.623 -6.940 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.236 -1.501 -7.166 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.301 -0.731 -6.816 1.00 0.00 C ATOM 1037 OH TYR A 69 11.409 -1.343 -6.318 1.00 0.00 O ATOM 0 H TYR A 69 5.661 0.937 -6.224 1.00 0.00 H new ATOM 0 HA TYR A 69 7.065 3.199 -7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.982 0.481 -8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.998 1.541 -9.409 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.116 2.346 -7.574 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.204 -1.440 -7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.174 1.199 -6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.269 -2.574 -7.051 1.00 0.00 H new ATOM 0 HH TYR A 69 11.261 -2.311 -6.285 1.00 0.00 H new ATOM 1047 N SER A 70 5.230 4.173 -8.793 1.00 0.00 N ATOM 1048 CA SER A 70 4.123 4.849 -9.448 1.00 0.00 C ATOM 1049 C SER A 70 3.408 3.885 -10.396 1.00 0.00 C ATOM 1050 O SER A 70 2.242 4.088 -10.730 1.00 0.00 O ATOM 1051 CB SER A 70 4.607 6.084 -10.212 1.00 0.00 C ATOM 1052 OG SER A 70 5.786 5.817 -10.966 1.00 0.00 O ATOM 0 H SER A 70 6.116 4.677 -8.824 1.00 0.00 H new ATOM 0 HA SER A 70 3.423 5.180 -8.681 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.819 6.428 -10.882 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.802 6.893 -9.508 1.00 0.00 H new ATOM 0 HG SER A 70 6.062 6.629 -11.440 1.00 0.00 H new ATOM 1058 N SER A 71 4.137 2.856 -10.803 1.00 0.00 N ATOM 1059 CA SER A 71 3.587 1.860 -11.706 1.00 0.00 C ATOM 1060 C SER A 71 2.411 1.142 -11.040 1.00 0.00 C ATOM 1061 O SER A 71 1.390 0.891 -11.679 1.00 0.00 O ATOM 1062 CB SER A 71 4.655 0.850 -12.129 1.00 0.00 C ATOM 1063 OG SER A 71 4.962 0.946 -13.517 1.00 0.00 O ATOM 0 H SER A 71 5.104 2.691 -10.524 1.00 0.00 H new ATOM 0 HA SER A 71 3.233 2.370 -12.602 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.561 1.015 -11.545 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.309 -0.159 -11.903 1.00 0.00 H new ATOM 0 HG SER A 71 5.649 0.286 -13.746 1.00 0.00 H new ATOM 1069 N PHE A 72 2.594 0.832 -9.765 1.00 0.00 N ATOM 1070 CA PHE A 72 1.562 0.148 -9.005 1.00 0.00 C ATOM 1071 C PHE A 72 0.476 1.126 -8.552 1.00 0.00 C ATOM 1072 O PHE A 72 -0.525 0.719 -7.965 1.00 0.00 O ATOM 1073 CB PHE A 72 2.238 -0.452 -7.771 1.00 0.00 C ATOM 1074 CG PHE A 72 2.754 -1.878 -7.976 1.00 0.00 C ATOM 1075 CD1 PHE A 72 1.889 -2.872 -8.311 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.077 -2.151 -7.821 1.00 0.00 C ATOM 1077 CE1 PHE A 72 2.367 -4.196 -8.501 1.00 0.00 C ATOM 1078 CE2 PHE A 72 4.556 -3.474 -8.011 1.00 0.00 C ATOM 1079 CZ PHE A 72 3.691 -4.469 -8.347 1.00 0.00 C ATOM 0 H PHE A 72 3.442 1.042 -9.239 1.00 0.00 H new ATOM 0 HA PHE A 72 1.091 -0.617 -9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.072 0.187 -7.479 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.529 -0.449 -6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.838 -2.655 -8.433 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.764 -1.361 -7.553 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.680 -4.985 -8.768 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.607 -3.691 -7.889 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.055 -5.475 -8.491 1.00 0.00 H new ATOM 1089 N LEU A 73 0.710 2.397 -8.843 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.235 3.436 -8.473 1.00 0.00 C ATOM 1091 C LEU A 73 -0.817 4.066 -9.740 1.00 0.00 C ATOM 1092 O LEU A 73 -0.138 4.152 -10.763 1.00 0.00 O ATOM 1093 CB LEU A 73 0.421 4.447 -7.530 1.00 0.00 C ATOM 1094 CG LEU A 73 1.030 3.872 -6.249 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.901 4.912 -5.542 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.057 3.312 -5.329 1.00 0.00 C ATOM 0 H LEU A 73 1.541 2.731 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.069 3.010 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.205 4.970 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.325 5.192 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 73 1.680 3.041 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.322 4.478 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.709 5.221 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.294 5.779 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.402 2.910 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.751 4.108 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.598 2.519 -5.845 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.068 4.489 -9.632 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.748 5.108 -10.757 1.00 0.00 C ATOM 1110 C LYS A 74 -3.440 6.389 -10.287 1.00 0.00 C ATOM 1111 O LYS A 74 -3.894 6.471 -9.147 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.693 4.109 -11.427 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.742 3.598 -10.437 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.134 4.124 -10.793 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.115 2.972 -11.020 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.511 3.445 -10.889 1.00 0.00 N ATOM 0 H LYS A 74 -2.628 4.415 -8.783 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.030 5.396 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.188 4.583 -12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.120 3.269 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.749 2.508 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.478 3.912 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.500 4.765 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.075 4.739 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.961 2.546 -12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.925 2.178 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.103 2.982 -11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.869 3.211 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.543 4.475 -11.026 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.500 7.383 -11.214 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.129 8.656 -10.906 1.00 0.00 C ATOM 1132 C PRO A 75 -5.654 8.526 -10.895 1.00 0.00 C ATOM 1133 O PRO A 75 -6.275 8.374 -11.946 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.622 9.613 -11.972 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.101 8.741 -13.102 1.00 0.00 C ATOM 1136 CD PRO A 75 -2.974 7.321 -12.574 1.00 0.00 C ATOM 0 HA PRO A 75 -3.876 9.020 -9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.421 10.268 -12.321 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.833 10.254 -11.578 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.781 8.772 -13.953 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.135 9.106 -13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.540 6.619 -13.186 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.937 6.987 -12.583 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.213 8.591 -9.696 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.653 8.483 -9.534 1.00 0.00 C ATOM 1146 C TYR A 76 -8.380 9.527 -10.384 1.00 0.00 C ATOM 1147 O TYR A 76 -7.744 10.342 -11.050 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.934 8.761 -8.056 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.371 8.459 -7.628 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.825 7.155 -7.604 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -10.215 9.489 -7.267 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -11.178 6.871 -7.202 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.568 9.205 -6.864 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.983 7.910 -6.852 1.00 0.00 C ATOM 1155 OH TYR A 76 -13.260 7.642 -6.471 1.00 0.00 O ATOM 0 H TYR A 76 -5.695 8.717 -8.827 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.001 7.499 -9.848 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.252 8.165 -7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.716 9.808 -7.846 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.165 6.348 -7.887 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.861 10.509 -7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.546 5.856 -7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.238 10.002 -6.578 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.718 8.480 -6.248 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.703 9.467 -10.334 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.523 10.397 -11.091 1.00 0.00 C ATOM 1167 C ASN A 77 -11.942 10.401 -10.518 1.00 0.00 C ATOM 1168 O ASN A 77 -12.743 9.520 -10.828 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.608 9.986 -12.562 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.563 11.211 -13.477 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -11.027 12.287 -13.139 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -9.982 10.987 -14.652 1.00 0.00 N ATOM 0 H ASN A 77 -10.227 8.789 -9.781 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.067 11.384 -11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.783 9.316 -12.804 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.530 9.432 -12.736 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.904 11.741 -15.334 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.614 10.061 -14.871 1.00 0.00 H new