USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 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 6 CYS SG : rot -150:sc= 1.17 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.176 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.274 K(o=0.27,f=-0.67) USER MOD Single : A 17 SER OG : rot 67:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0332 (180deg=-0.326) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 27 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.6!) USER MOD Single : A 29 MET CE :methyl -158:sc= -2.41 (180deg=-4.48) USER MOD Single : A 32 THR OG1 : rot -86:sc= 0.0377 USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= 0.818 (180deg=0.122) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -67:sc= 0.968 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.059 (180deg=-0.441) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 49 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.35) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 73:sc= 0.253 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00572 (180deg=-0.117) USER MOD Single : A 66 TYR OH : rot 15:sc= -1.38 USER MOD Single : A 68 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.347 -2.725 -22.744 1.00 20.44 N ATOM 39 CA THR A 2 -6.267 -1.756 -21.689 1.00 15.51 C ATOM 40 C THR A 2 -7.126 -2.226 -20.519 1.00 53.25 C ATOM 41 O THR A 2 -8.351 -2.403 -20.666 1.00 33.14 O ATOM 42 CB THR A 2 -6.766 -0.397 -22.198 1.00 41.34 C ATOM 43 OG1 THR A 2 -6.013 -0.036 -23.383 1.00 32.22 O ATOM 44 CG2 THR A 2 -6.603 0.682 -21.142 1.00 1.34 C ATOM 0 HA THR A 2 -5.233 -1.649 -21.360 1.00 15.51 H new ATOM 0 HB THR A 2 -7.827 -0.480 -22.432 1.00 41.34 H new ATOM 0 HG1 THR A 2 -5.726 -0.849 -23.849 1.00 32.22 H new ATOM 0 HG21 THR A 2 -6.966 1.632 -21.534 1.00 1.34 H new ATOM 0 HG22 THR A 2 -7.176 0.413 -20.255 1.00 1.34 H new ATOM 0 HG23 THR A 2 -5.550 0.777 -20.878 1.00 1.34 H new ATOM 52 N VAL A 3 -6.498 -2.452 -19.384 1.00 74.35 N ATOM 53 CA VAL A 3 -7.200 -2.964 -18.219 1.00 42.33 C ATOM 54 C VAL A 3 -7.281 -1.880 -17.135 1.00 3.43 C ATOM 55 O VAL A 3 -6.306 -1.158 -16.893 1.00 2.14 O ATOM 56 CB VAL A 3 -6.481 -4.202 -17.621 1.00 62.53 C ATOM 57 CG1 VAL A 3 -7.291 -4.834 -16.551 1.00 13.01 C ATOM 58 CG2 VAL A 3 -6.125 -5.240 -18.652 1.00 31.10 C ATOM 0 H VAL A 3 -5.501 -2.290 -19.240 1.00 74.35 H new ATOM 0 HA VAL A 3 -8.199 -3.255 -18.543 1.00 42.33 H new ATOM 0 HB VAL A 3 -5.551 -3.820 -17.201 1.00 62.53 H new ATOM 0 HG11 VAL A 3 -6.758 -5.698 -16.154 1.00 13.01 H new ATOM 0 HG12 VAL A 3 -7.462 -4.114 -15.751 1.00 13.01 H new ATOM 0 HG13 VAL A 3 -8.248 -5.155 -16.961 1.00 13.01 H new ATOM 0 HG21 VAL A 3 -5.625 -6.078 -18.167 1.00 31.10 H new ATOM 0 HG22 VAL A 3 -7.033 -5.593 -19.142 1.00 31.10 H new ATOM 0 HG23 VAL A 3 -5.459 -4.801 -19.395 1.00 31.10 H new ATOM 68 N TYR A 4 -8.436 -1.756 -16.516 1.00 14.54 N ATOM 69 CA TYR A 4 -8.652 -0.808 -15.448 1.00 10.00 C ATOM 70 C TYR A 4 -8.674 -1.512 -14.084 1.00 14.22 C ATOM 71 O TYR A 4 -9.303 -2.567 -13.923 1.00 12.14 O ATOM 72 CB TYR A 4 -9.946 -0.040 -15.695 1.00 14.32 C ATOM 73 CG TYR A 4 -9.910 0.782 -16.966 1.00 2.00 C ATOM 74 CD1 TYR A 4 -10.141 0.204 -18.208 1.00 30.11 C ATOM 75 CD2 TYR A 4 -9.629 2.129 -16.921 1.00 30.52 C ATOM 76 CE1 TYR A 4 -10.094 0.951 -19.359 1.00 21.21 C ATOM 77 CE2 TYR A 4 -9.578 2.886 -18.066 1.00 41.23 C ATOM 78 CZ TYR A 4 -9.809 2.299 -19.282 1.00 23.13 C ATOM 79 OH TYR A 4 -9.749 3.058 -20.428 1.00 45.24 O ATOM 0 H TYR A 4 -9.258 -2.316 -16.743 1.00 14.54 H new ATOM 0 HA TYR A 4 -7.824 -0.099 -15.433 1.00 10.00 H new ATOM 0 HB2 TYR A 4 -10.776 -0.744 -15.747 1.00 14.32 H new ATOM 0 HB3 TYR A 4 -10.139 0.618 -14.848 1.00 14.32 H new ATOM 0 HD1 TYR A 4 -10.361 -0.851 -18.269 1.00 30.11 H new ATOM 0 HD2 TYR A 4 -9.445 2.600 -15.967 1.00 30.52 H new ATOM 0 HE1 TYR A 4 -10.279 0.487 -20.317 1.00 21.21 H new ATOM 0 HE2 TYR A 4 -9.356 3.941 -18.008 1.00 41.23 H new ATOM 0 HH TYR A 4 -9.539 3.986 -20.195 1.00 45.24 H new ATOM 89 N ILE A 5 -7.976 -0.933 -13.121 1.00 42.00 N ATOM 90 CA ILE A 5 -7.860 -1.498 -11.780 1.00 22.14 C ATOM 91 C ILE A 5 -8.430 -0.507 -10.761 1.00 61.23 C ATOM 92 O ILE A 5 -7.953 0.612 -10.648 1.00 34.52 O ATOM 93 CB ILE A 5 -6.356 -1.735 -11.321 1.00 2.35 C ATOM 94 CG1 ILE A 5 -5.480 -2.594 -12.260 1.00 70.31 C ATOM 95 CG2 ILE A 5 -6.322 -2.373 -9.937 1.00 52.01 C ATOM 96 CD1 ILE A 5 -5.264 -2.085 -13.676 1.00 72.40 C ATOM 0 H ILE A 5 -7.471 -0.055 -13.244 1.00 42.00 H new ATOM 0 HA ILE A 5 -8.391 -2.449 -11.818 1.00 22.14 H new ATOM 0 HB ILE A 5 -5.924 -0.734 -11.335 1.00 2.35 H new ATOM 0 HG12 ILE A 5 -4.503 -2.714 -11.793 1.00 70.31 H new ATOM 0 HG13 ILE A 5 -5.927 -3.586 -12.323 1.00 70.31 H new ATOM 0 HG21 ILE A 5 -5.287 -2.530 -9.634 1.00 52.01 H new ATOM 0 HG22 ILE A 5 -6.814 -1.715 -9.221 1.00 52.01 H new ATOM 0 HG23 ILE A 5 -6.841 -3.331 -9.965 1.00 52.01 H new ATOM 0 HD11 ILE A 5 -4.632 -2.785 -14.222 1.00 72.40 H new ATOM 0 HD12 ILE A 5 -6.226 -1.995 -14.181 1.00 72.40 H new ATOM 0 HD13 ILE A 5 -4.779 -1.109 -13.642 1.00 72.40 H new ATOM 108 N CYS A 6 -9.436 -0.891 -10.068 1.00 32.40 N ATOM 109 CA CYS A 6 -9.913 -0.125 -8.958 1.00 51.02 C ATOM 110 C CYS A 6 -9.983 -1.041 -7.754 1.00 23.24 C ATOM 111 O CYS A 6 -10.959 -1.764 -7.592 1.00 12.03 O ATOM 112 CB CYS A 6 -11.267 0.538 -9.230 1.00 3.55 C ATOM 113 SG CYS A 6 -11.881 1.569 -7.872 1.00 2.33 S ATOM 0 H CYS A 6 -9.960 -1.747 -10.248 1.00 32.40 H new ATOM 0 HA CYS A 6 -9.220 0.696 -8.774 1.00 51.02 H new ATOM 0 HB2 CYS A 6 -11.184 1.152 -10.127 1.00 3.55 H new ATOM 0 HB3 CYS A 6 -12.002 -0.238 -9.442 1.00 3.55 H new ATOM 0 HG CYS A 6 -13.181 1.555 -7.870 1.00 2.33 H new ATOM 119 N PRO A 7 -8.934 -1.081 -6.918 1.00 52.31 N ATOM 120 CA PRO A 7 -8.905 -1.948 -5.718 1.00 71.23 C ATOM 121 C PRO A 7 -9.961 -1.562 -4.672 1.00 52.15 C ATOM 122 O PRO A 7 -10.185 -2.291 -3.699 1.00 63.03 O ATOM 123 CB PRO A 7 -7.490 -1.739 -5.153 1.00 33.24 C ATOM 124 CG PRO A 7 -6.707 -1.174 -6.291 1.00 24.03 C ATOM 125 CD PRO A 7 -7.674 -0.334 -7.075 1.00 45.54 C ATOM 0 HA PRO A 7 -9.132 -2.984 -5.971 1.00 71.23 H new ATOM 0 HB2 PRO A 7 -7.500 -1.058 -4.302 1.00 33.24 H new ATOM 0 HB3 PRO A 7 -7.060 -2.678 -4.804 1.00 33.24 H new ATOM 0 HG2 PRO A 7 -5.871 -0.575 -5.931 1.00 24.03 H new ATOM 0 HG3 PRO A 7 -6.288 -1.968 -6.909 1.00 24.03 H new ATOM 0 HD2 PRO A 7 -7.749 0.678 -6.678 1.00 45.54 H new ATOM 0 HD3 PRO A 7 -7.381 -0.245 -8.121 1.00 45.54 H new ATOM 133 N GLU A 8 -10.607 -0.434 -4.895 1.00 72.04 N ATOM 134 CA GLU A 8 -11.610 0.079 -3.995 1.00 71.33 C ATOM 135 C GLU A 8 -12.965 -0.544 -4.278 1.00 4.31 C ATOM 136 O GLU A 8 -13.473 -1.348 -3.501 1.00 32.24 O ATOM 137 CB GLU A 8 -11.749 1.589 -4.176 1.00 71.14 C ATOM 138 CG GLU A 8 -10.468 2.352 -4.043 1.00 63.11 C ATOM 139 CD GLU A 8 -9.835 2.173 -2.696 1.00 71.43 C ATOM 140 OE1 GLU A 8 -10.395 2.663 -1.690 1.00 51.25 O ATOM 141 OE2 GLU A 8 -8.757 1.557 -2.615 1.00 44.24 O ATOM 0 H GLU A 8 -10.446 0.153 -5.713 1.00 72.04 H new ATOM 0 HA GLU A 8 -11.295 -0.164 -2.980 1.00 71.33 H new ATOM 0 HB2 GLU A 8 -12.174 1.786 -5.160 1.00 71.14 H new ATOM 0 HB3 GLU A 8 -12.460 1.966 -3.441 1.00 71.14 H new ATOM 0 HG2 GLU A 8 -9.772 2.025 -4.815 1.00 63.11 H new ATOM 0 HG3 GLU A 8 -10.660 3.411 -4.214 1.00 63.11 H new ATOM 148 N THR A 9 -13.532 -0.165 -5.396 1.00 43.11 N ATOM 149 CA THR A 9 -14.866 -0.551 -5.751 1.00 25.41 C ATOM 150 C THR A 9 -14.906 -1.715 -6.737 1.00 31.31 C ATOM 151 O THR A 9 -15.961 -2.347 -6.922 1.00 54.44 O ATOM 152 CB THR A 9 -15.605 0.661 -6.347 1.00 62.22 C ATOM 153 OG1 THR A 9 -14.817 1.217 -7.414 1.00 14.20 O ATOM 154 CG2 THR A 9 -15.843 1.731 -5.286 1.00 63.50 C ATOM 0 H THR A 9 -13.072 0.426 -6.089 1.00 43.11 H new ATOM 0 HA THR A 9 -15.358 -0.892 -4.840 1.00 25.41 H new ATOM 0 HB THR A 9 -16.572 0.328 -6.725 1.00 62.22 H new ATOM 0 HG1 THR A 9 -15.284 1.988 -7.798 1.00 14.20 H new ATOM 0 HG21 THR A 9 -16.366 2.576 -5.733 1.00 63.50 H new ATOM 0 HG22 THR A 9 -16.447 1.315 -4.479 1.00 63.50 H new ATOM 0 HG23 THR A 9 -14.886 2.067 -4.887 1.00 63.50 H new ATOM 162 N GLY A 10 -13.784 -2.007 -7.368 1.00 70.43 N ATOM 163 CA GLY A 10 -13.781 -3.083 -8.342 1.00 74.23 C ATOM 164 C GLY A 10 -13.354 -4.389 -7.729 1.00 23.01 C ATOM 165 O GLY A 10 -13.130 -4.470 -6.521 1.00 33.23 O ATOM 0 H GLY A 10 -12.891 -1.533 -7.231 1.00 70.43 H new ATOM 0 HA2 GLY A 10 -14.778 -3.190 -8.768 1.00 74.23 H new ATOM 0 HA3 GLY A 10 -13.109 -2.829 -9.162 1.00 74.23 H new ATOM 169 N ASP A 11 -13.202 -5.391 -8.544 1.00 0.14 N ATOM 170 CA ASP A 11 -12.914 -6.720 -8.079 1.00 61.51 C ATOM 171 C ASP A 11 -12.067 -7.452 -9.106 1.00 62.05 C ATOM 172 O ASP A 11 -12.200 -7.223 -10.299 1.00 2.31 O ATOM 173 CB ASP A 11 -14.204 -7.483 -7.826 1.00 3.34 C ATOM 174 CG ASP A 11 -13.935 -8.824 -7.223 1.00 3.41 C ATOM 175 OD1 ASP A 11 -13.812 -8.908 -5.993 1.00 51.11 O ATOM 176 OD2 ASP A 11 -13.816 -9.805 -7.968 1.00 54.24 O ATOM 0 H ASP A 11 -13.275 -5.311 -9.558 1.00 0.14 H new ATOM 0 HA ASP A 11 -12.361 -6.654 -7.142 1.00 61.51 H new ATOM 0 HB2 ASP A 11 -14.846 -6.905 -7.161 1.00 3.34 H new ATOM 0 HB3 ASP A 11 -14.746 -7.606 -8.764 1.00 3.34 H new ATOM 181 N ASP A 12 -11.190 -8.314 -8.643 1.00 42.51 N ATOM 182 CA ASP A 12 -10.261 -9.050 -9.522 1.00 71.11 C ATOM 183 C ASP A 12 -10.951 -10.142 -10.350 1.00 52.31 C ATOM 184 O ASP A 12 -10.355 -10.687 -11.264 1.00 54.04 O ATOM 185 CB ASP A 12 -9.139 -9.682 -8.713 1.00 52.40 C ATOM 186 CG ASP A 12 -9.651 -10.709 -7.742 1.00 1.01 C ATOM 187 OD1 ASP A 12 -10.096 -10.327 -6.648 1.00 72.14 O ATOM 188 OD2 ASP A 12 -9.631 -11.904 -8.061 1.00 42.51 O ATOM 0 H ASP A 12 -11.087 -8.536 -7.653 1.00 42.51 H new ATOM 0 HA ASP A 12 -9.859 -8.310 -10.214 1.00 71.11 H new ATOM 0 HB2 ASP A 12 -8.423 -10.149 -9.390 1.00 52.40 H new ATOM 0 HB3 ASP A 12 -8.603 -8.905 -8.169 1.00 52.40 H new ATOM 193 N GLY A 13 -12.182 -10.464 -10.032 1.00 50.01 N ATOM 194 CA GLY A 13 -12.884 -11.487 -10.785 1.00 51.13 C ATOM 195 C GLY A 13 -13.700 -10.898 -11.911 1.00 61.22 C ATOM 196 O GLY A 13 -14.583 -11.558 -12.471 1.00 2.41 O ATOM 0 H GLY A 13 -12.715 -10.043 -9.271 1.00 50.01 H new ATOM 0 HA2 GLY A 13 -12.164 -12.197 -11.192 1.00 51.13 H new ATOM 0 HA3 GLY A 13 -13.539 -12.045 -10.116 1.00 51.13 H new ATOM 200 N ASN A 14 -13.423 -9.655 -12.231 1.00 54.14 N ATOM 201 CA ASN A 14 -14.131 -8.959 -13.280 1.00 44.32 C ATOM 202 C ASN A 14 -13.391 -9.051 -14.599 1.00 3.40 C ATOM 203 O ASN A 14 -12.344 -9.693 -14.701 1.00 33.10 O ATOM 204 CB ASN A 14 -14.338 -7.489 -12.926 1.00 22.13 C ATOM 205 CG ASN A 14 -15.199 -7.273 -11.705 1.00 50.21 C ATOM 206 OD1 ASN A 14 -16.055 -8.087 -11.380 1.00 3.35 O ATOM 207 ND2 ASN A 14 -14.990 -6.174 -11.033 1.00 2.44 N ATOM 0 H ASN A 14 -12.702 -9.099 -11.772 1.00 54.14 H new ATOM 0 HA ASN A 14 -15.102 -9.444 -13.381 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -13.366 -7.024 -12.761 1.00 22.13 H new ATOM 0 HB3 ASN A 14 -14.794 -6.981 -13.776 1.00 22.13 H new ATOM 0 HD21 ASN A 14 -15.549 -5.968 -10.205 1.00 2.44 H new ATOM 0 HD22 ASN A 14 -14.267 -5.521 -11.336 1.00 2.44 H new ATOM 214 N ASP A 15 -13.943 -8.395 -15.607 1.00 52.24 N ATOM 215 CA ASP A 15 -13.359 -8.358 -16.941 1.00 4.44 C ATOM 216 C ASP A 15 -12.173 -7.397 -16.992 1.00 33.11 C ATOM 217 O ASP A 15 -11.260 -7.546 -17.807 1.00 52.24 O ATOM 218 CB ASP A 15 -14.422 -7.947 -17.967 1.00 62.14 C ATOM 219 CG ASP A 15 -13.882 -7.863 -19.375 1.00 75.55 C ATOM 220 OD1 ASP A 15 -13.720 -8.919 -20.031 1.00 44.21 O ATOM 221 OD2 ASP A 15 -13.614 -6.744 -19.850 1.00 22.11 O ATOM 0 H ASP A 15 -14.814 -7.870 -15.524 1.00 52.24 H new ATOM 0 HA ASP A 15 -12.995 -9.356 -17.185 1.00 4.44 H new ATOM 0 HB2 ASP A 15 -15.242 -8.665 -17.940 1.00 62.14 H new ATOM 0 HB3 ASP A 15 -14.837 -6.979 -17.685 1.00 62.14 H new ATOM 226 N GLY A 16 -12.179 -6.433 -16.100 1.00 10.42 N ATOM 227 CA GLY A 16 -11.123 -5.457 -16.049 1.00 53.21 C ATOM 228 C GLY A 16 -11.310 -4.263 -16.956 1.00 64.13 C ATOM 229 O GLY A 16 -10.349 -3.575 -17.284 1.00 25.01 O ATOM 0 H GLY A 16 -12.908 -6.307 -15.398 1.00 10.42 H new ATOM 0 HA2 GLY A 16 -11.026 -5.103 -15.023 1.00 53.21 H new ATOM 0 HA3 GLY A 16 -10.184 -5.947 -16.307 1.00 53.21 H new ATOM 233 N SER A 17 -12.519 -4.012 -17.360 1.00 63.21 N ATOM 234 CA SER A 17 -12.804 -2.844 -18.153 1.00 32.35 C ATOM 235 C SER A 17 -13.096 -1.663 -17.220 1.00 10.42 C ATOM 236 O SER A 17 -13.068 -1.826 -16.003 1.00 12.22 O ATOM 237 CB SER A 17 -13.956 -3.121 -19.094 1.00 14.01 C ATOM 238 OG SER A 17 -13.618 -4.144 -20.021 1.00 72.35 O ATOM 0 H SER A 17 -13.328 -4.598 -17.156 1.00 63.21 H new ATOM 0 HA SER A 17 -11.941 -2.588 -18.768 1.00 32.35 H new ATOM 0 HB2 SER A 17 -14.835 -3.419 -18.522 1.00 14.01 H new ATOM 0 HB3 SER A 17 -14.219 -2.210 -19.631 1.00 14.01 H new ATOM 0 HG SER A 17 -13.505 -4.993 -19.545 1.00 72.35 H new ATOM 244 N GLU A 18 -13.380 -0.488 -17.770 1.00 22.51 N ATOM 245 CA GLU A 18 -13.583 0.702 -16.956 1.00 4.31 C ATOM 246 C GLU A 18 -14.794 0.542 -16.003 1.00 63.13 C ATOM 247 O GLU A 18 -14.765 1.005 -14.858 1.00 33.42 O ATOM 248 CB GLU A 18 -13.757 1.933 -17.854 1.00 75.43 C ATOM 249 CG GLU A 18 -13.833 3.237 -17.101 1.00 30.24 C ATOM 250 CD GLU A 18 -14.033 4.432 -18.003 1.00 73.25 C ATOM 251 OE1 GLU A 18 -15.184 4.679 -18.425 1.00 60.44 O ATOM 252 OE2 GLU A 18 -13.054 5.149 -18.299 1.00 23.05 O ATOM 0 H GLU A 18 -13.475 -0.335 -18.774 1.00 22.51 H new ATOM 0 HA GLU A 18 -12.698 0.840 -16.336 1.00 4.31 H new ATOM 0 HB2 GLU A 18 -12.924 1.979 -18.555 1.00 75.43 H new ATOM 0 HB3 GLU A 18 -14.665 1.813 -18.445 1.00 75.43 H new ATOM 0 HG2 GLU A 18 -14.653 3.189 -16.385 1.00 30.24 H new ATOM 0 HG3 GLU A 18 -12.916 3.372 -16.527 1.00 30.24 H new ATOM 259 N LEU A 19 -15.839 -0.129 -16.474 1.00 31.13 N ATOM 260 CA LEU A 19 -17.036 -0.333 -15.668 1.00 32.31 C ATOM 261 C LEU A 19 -16.918 -1.513 -14.728 1.00 21.41 C ATOM 262 O LEU A 19 -17.738 -1.674 -13.824 1.00 4.13 O ATOM 263 CB LEU A 19 -18.252 -0.502 -16.529 1.00 10.31 C ATOM 264 CG LEU A 19 -18.606 0.677 -17.411 1.00 43.22 C ATOM 265 CD1 LEU A 19 -19.882 0.378 -18.106 1.00 71.12 C ATOM 266 CD2 LEU A 19 -18.732 1.961 -16.597 1.00 64.11 C ATOM 0 H LEU A 19 -15.881 -0.540 -17.407 1.00 31.13 H new ATOM 0 HA LEU A 19 -17.142 0.567 -15.063 1.00 32.31 H new ATOM 0 HB2 LEU A 19 -18.105 -1.375 -17.164 1.00 10.31 H new ATOM 0 HB3 LEU A 19 -19.104 -0.717 -15.884 1.00 10.31 H new ATOM 0 HG LEU A 19 -17.809 0.833 -18.139 1.00 43.22 H new ATOM 0 HD11 LEU A 19 -20.153 1.217 -18.747 1.00 71.12 H new ATOM 0 HD12 LEU A 19 -19.764 -0.519 -18.714 1.00 71.12 H new ATOM 0 HD13 LEU A 19 -20.668 0.216 -17.369 1.00 71.12 H new ATOM 0 HD21 LEU A 19 -18.987 2.788 -17.259 1.00 64.11 H new ATOM 0 HD22 LEU A 19 -19.515 1.842 -15.848 1.00 64.11 H new ATOM 0 HD23 LEU A 19 -17.785 2.172 -16.101 1.00 64.11 H new ATOM 278 N LYS A 20 -15.917 -2.346 -14.945 1.00 60.24 N ATOM 279 CA LYS A 20 -15.658 -3.500 -14.077 1.00 54.04 C ATOM 280 C LYS A 20 -14.194 -3.584 -13.837 1.00 12.02 C ATOM 281 O LYS A 20 -13.508 -4.419 -14.436 1.00 0.53 O ATOM 282 CB LYS A 20 -16.100 -4.825 -14.687 1.00 23.23 C ATOM 283 CG LYS A 20 -17.545 -4.897 -15.109 1.00 51.44 C ATOM 284 CD LYS A 20 -17.873 -6.269 -15.652 1.00 1.30 C ATOM 285 CE LYS A 20 -19.330 -6.375 -16.054 1.00 53.20 C ATOM 286 NZ LYS A 20 -20.241 -6.122 -14.913 1.00 11.33 N ATOM 0 H LYS A 20 -15.260 -2.251 -15.719 1.00 60.24 H new ATOM 0 HA LYS A 20 -16.230 -3.347 -13.162 1.00 54.04 H new ATOM 0 HB2 LYS A 20 -15.475 -5.031 -15.556 1.00 23.23 H new ATOM 0 HB3 LYS A 20 -15.911 -5.618 -13.964 1.00 23.23 H new ATOM 0 HG2 LYS A 20 -18.189 -4.673 -14.259 1.00 51.44 H new ATOM 0 HG3 LYS A 20 -17.746 -4.142 -15.869 1.00 51.44 H new ATOM 0 HD2 LYS A 20 -17.241 -6.481 -16.514 1.00 1.30 H new ATOM 0 HD3 LYS A 20 -17.647 -7.023 -14.898 1.00 1.30 H new ATOM 0 HE2 LYS A 20 -19.539 -5.661 -16.850 1.00 53.20 H new ATOM 0 HE3 LYS A 20 -19.523 -7.369 -16.459 1.00 53.20 H new ATOM 0 HZ1 LYS A 20 -21.199 -6.447 -15.155 1.00 11.33 H new ATOM 0 HZ2 LYS A 20 -19.901 -6.638 -14.076 1.00 11.33 H new ATOM 0 HZ3 LYS A 20 -20.263 -5.103 -14.706 1.00 11.33 H new ATOM 300 N PRO A 21 -13.673 -2.711 -13.016 1.00 34.21 N ATOM 301 CA PRO A 21 -12.273 -2.672 -12.763 1.00 55.01 C ATOM 302 C PRO A 21 -11.841 -3.813 -11.866 1.00 13.50 C ATOM 303 O PRO A 21 -12.634 -4.324 -11.051 1.00 20.34 O ATOM 304 CB PRO A 21 -12.058 -1.316 -12.105 1.00 45.13 C ATOM 305 CG PRO A 21 -13.370 -0.962 -11.485 1.00 22.32 C ATOM 306 CD PRO A 21 -14.422 -1.682 -12.259 1.00 63.22 C ATOM 0 HA PRO A 21 -11.677 -2.789 -13.668 1.00 55.01 H new ATOM 0 HB2 PRO A 21 -11.269 -1.365 -11.354 1.00 45.13 H new ATOM 0 HB3 PRO A 21 -11.755 -0.568 -12.837 1.00 45.13 H new ATOM 0 HG2 PRO A 21 -13.393 -1.256 -10.436 1.00 22.32 H new ATOM 0 HG3 PRO A 21 -13.535 0.115 -11.518 1.00 22.32 H new ATOM 0 HD2 PRO A 21 -15.163 -2.133 -11.600 1.00 63.22 H new ATOM 0 HD3 PRO A 21 -14.958 -1.007 -12.927 1.00 63.22 H new ATOM 314 N LEU A 22 -10.620 -4.230 -12.033 1.00 65.15 N ATOM 315 CA LEU A 22 -10.054 -5.294 -11.247 1.00 55.32 C ATOM 316 C LEU A 22 -9.599 -4.740 -9.939 1.00 2.15 C ATOM 317 O LEU A 22 -9.426 -3.550 -9.820 1.00 0.03 O ATOM 318 CB LEU A 22 -8.892 -5.908 -11.988 1.00 54.41 C ATOM 319 CG LEU A 22 -9.242 -6.482 -13.343 1.00 74.33 C ATOM 320 CD1 LEU A 22 -8.022 -6.990 -14.031 1.00 15.35 C ATOM 321 CD2 LEU A 22 -10.285 -7.575 -13.217 1.00 61.30 C ATOM 0 H LEU A 22 -9.981 -3.839 -12.725 1.00 65.15 H new ATOM 0 HA LEU A 22 -10.802 -6.067 -11.071 1.00 55.32 H new ATOM 0 HB2 LEU A 22 -8.119 -5.150 -12.118 1.00 54.41 H new ATOM 0 HB3 LEU A 22 -8.463 -6.699 -11.373 1.00 54.41 H new ATOM 0 HG LEU A 22 -9.667 -5.682 -13.949 1.00 74.33 H new ATOM 0 HD11 LEU A 22 -8.296 -7.398 -15.004 1.00 15.35 H new ATOM 0 HD12 LEU A 22 -7.314 -6.172 -14.167 1.00 15.35 H new ATOM 0 HD13 LEU A 22 -7.562 -7.771 -13.426 1.00 15.35 H new ATOM 0 HD21 LEU A 22 -10.519 -7.971 -14.205 1.00 61.30 H new ATOM 0 HD22 LEU A 22 -9.898 -8.376 -12.588 1.00 61.30 H new ATOM 0 HD23 LEU A 22 -11.189 -7.165 -12.767 1.00 61.30 H new ATOM 333 N ARG A 23 -9.407 -5.573 -8.956 1.00 53.53 N ATOM 334 CA ARG A 23 -9.005 -5.043 -7.682 1.00 24.52 C ATOM 335 C ARG A 23 -7.520 -5.280 -7.454 1.00 53.30 C ATOM 336 O ARG A 23 -6.948 -4.846 -6.461 1.00 32.42 O ATOM 337 CB ARG A 23 -9.876 -5.591 -6.540 1.00 43.44 C ATOM 338 CG ARG A 23 -9.547 -6.977 -6.004 1.00 41.30 C ATOM 339 CD ARG A 23 -10.579 -7.401 -4.953 1.00 13.30 C ATOM 340 NE ARG A 23 -10.123 -8.531 -4.126 1.00 62.13 N ATOM 341 CZ ARG A 23 -10.908 -9.498 -3.600 1.00 55.41 C ATOM 342 NH1 ARG A 23 -12.168 -9.664 -4.011 1.00 24.43 N ATOM 343 NH2 ARG A 23 -10.407 -10.332 -2.690 1.00 10.32 N ATOM 0 H ARG A 23 -9.517 -6.586 -9.005 1.00 53.53 H new ATOM 0 HA ARG A 23 -9.164 -3.965 -7.690 1.00 24.52 H new ATOM 0 HB2 ARG A 23 -9.821 -4.888 -5.709 1.00 43.44 H new ATOM 0 HB3 ARG A 23 -10.911 -5.600 -6.882 1.00 43.44 H new ATOM 0 HG2 ARG A 23 -9.535 -7.697 -6.822 1.00 41.30 H new ATOM 0 HG3 ARG A 23 -8.550 -6.977 -5.564 1.00 41.30 H new ATOM 0 HD2 ARG A 23 -10.803 -6.552 -4.307 1.00 13.30 H new ATOM 0 HD3 ARG A 23 -11.508 -7.675 -5.453 1.00 13.30 H new ATOM 0 HE ARG A 23 -9.123 -8.589 -3.932 1.00 62.13 H new ATOM 0 HH11 ARG A 23 -12.553 -9.056 -4.734 1.00 24.43 H new ATOM 0 HH12 ARG A 23 -12.745 -10.399 -3.602 1.00 24.43 H new ATOM 0 HH21 ARG A 23 -9.436 -10.239 -2.393 1.00 10.32 H new ATOM 0 HH22 ARG A 23 -10.995 -11.063 -2.290 1.00 10.32 H new ATOM 357 N THR A 24 -6.906 -5.958 -8.399 1.00 42.50 N ATOM 358 CA THR A 24 -5.493 -6.247 -8.364 1.00 22.50 C ATOM 359 C THR A 24 -4.882 -6.028 -9.746 1.00 24.43 C ATOM 360 O THR A 24 -5.542 -6.262 -10.774 1.00 22.22 O ATOM 361 CB THR A 24 -5.216 -7.708 -7.901 1.00 14.12 C ATOM 362 OG1 THR A 24 -5.974 -8.635 -8.700 1.00 71.11 O ATOM 363 CG2 THR A 24 -5.547 -7.906 -6.426 1.00 31.23 C ATOM 0 H THR A 24 -7.382 -6.328 -9.222 1.00 42.50 H new ATOM 0 HA THR A 24 -5.035 -5.569 -7.643 1.00 22.50 H new ATOM 0 HB THR A 24 -4.151 -7.898 -8.034 1.00 14.12 H new ATOM 0 HG1 THR A 24 -5.791 -9.550 -8.401 1.00 71.11 H new ATOM 0 HG21 THR A 24 -5.340 -8.938 -6.142 1.00 31.23 H new ATOM 0 HG22 THR A 24 -4.936 -7.234 -5.823 1.00 31.23 H new ATOM 0 HG23 THR A 24 -6.601 -7.688 -6.257 1.00 31.23 H new ATOM 371 N LEU A 25 -3.643 -5.570 -9.772 1.00 60.44 N ATOM 372 CA LEU A 25 -2.911 -5.363 -11.014 1.00 60.50 C ATOM 373 C LEU A 25 -2.426 -6.724 -11.538 1.00 63.20 C ATOM 374 O LEU A 25 -2.138 -6.902 -12.727 1.00 44.41 O ATOM 375 CB LEU A 25 -1.752 -4.392 -10.766 1.00 3.44 C ATOM 376 CG LEU A 25 -0.892 -3.993 -11.970 1.00 55.30 C ATOM 377 CD1 LEU A 25 -1.743 -3.376 -13.073 1.00 33.41 C ATOM 378 CD2 LEU A 25 0.166 -3.009 -11.523 1.00 42.34 C ATOM 0 H LEU A 25 -3.114 -5.330 -8.934 1.00 60.44 H new ATOM 0 HA LEU A 25 -3.553 -4.919 -11.774 1.00 60.50 H new ATOM 0 HB2 LEU A 25 -2.164 -3.482 -10.330 1.00 3.44 H new ATOM 0 HB3 LEU A 25 -1.096 -4.836 -10.017 1.00 3.44 H new ATOM 0 HG LEU A 25 -0.419 -4.889 -12.372 1.00 55.30 H new ATOM 0 HD11 LEU A 25 -1.106 -3.103 -13.914 1.00 33.41 H new ATOM 0 HD12 LEU A 25 -2.490 -4.098 -13.403 1.00 33.41 H new ATOM 0 HD13 LEU A 25 -2.243 -2.485 -12.692 1.00 33.41 H new ATOM 0 HD21 LEU A 25 0.780 -2.722 -12.377 1.00 42.34 H new ATOM 0 HD22 LEU A 25 -0.314 -2.123 -11.107 1.00 42.34 H new ATOM 0 HD23 LEU A 25 0.795 -3.472 -10.762 1.00 42.34 H new ATOM 390 N TYR A 26 -2.376 -7.676 -10.620 1.00 52.15 N ATOM 391 CA TYR A 26 -2.062 -9.061 -10.890 1.00 11.54 C ATOM 392 C TYR A 26 -3.033 -9.638 -11.941 1.00 13.41 C ATOM 393 O TYR A 26 -2.593 -10.210 -12.935 1.00 51.41 O ATOM 394 CB TYR A 26 -2.190 -9.833 -9.554 1.00 33.15 C ATOM 395 CG TYR A 26 -1.986 -11.330 -9.620 1.00 31.03 C ATOM 396 CD1 TYR A 26 -0.726 -11.881 -9.547 1.00 72.11 C ATOM 397 CD2 TYR A 26 -3.066 -12.196 -9.736 1.00 54.41 C ATOM 398 CE1 TYR A 26 -0.542 -13.237 -9.595 1.00 12.31 C ATOM 399 CE2 TYR A 26 -2.886 -13.560 -9.778 1.00 2.12 C ATOM 400 CZ TYR A 26 -1.626 -14.076 -9.710 1.00 0.33 C ATOM 401 OH TYR A 26 -1.446 -15.442 -9.745 1.00 20.21 O ATOM 0 H TYR A 26 -2.560 -7.494 -9.633 1.00 52.15 H new ATOM 0 HA TYR A 26 -1.052 -9.154 -11.290 1.00 11.54 H new ATOM 0 HB2 TYR A 26 -1.467 -9.420 -8.850 1.00 33.15 H new ATOM 0 HB3 TYR A 26 -3.181 -9.641 -9.142 1.00 33.15 H new ATOM 0 HD1 TYR A 26 0.132 -11.232 -9.450 1.00 72.11 H new ATOM 0 HD2 TYR A 26 -4.066 -11.791 -9.794 1.00 54.41 H new ATOM 0 HE1 TYR A 26 0.455 -13.648 -9.543 1.00 12.31 H new ATOM 0 HE2 TYR A 26 -3.738 -14.218 -9.864 1.00 2.12 H new ATOM 0 HH TYR A 26 -2.316 -15.885 -9.828 1.00 20.21 H new ATOM 411 N GLN A 27 -4.348 -9.453 -11.737 1.00 40.31 N ATOM 412 CA GLN A 27 -5.346 -9.968 -12.690 1.00 31.10 C ATOM 413 C GLN A 27 -5.211 -9.276 -14.050 1.00 72.43 C ATOM 414 O GLN A 27 -5.368 -9.912 -15.090 1.00 2.05 O ATOM 415 CB GLN A 27 -6.780 -9.837 -12.127 1.00 54.04 C ATOM 416 CG GLN A 27 -7.915 -10.294 -13.080 1.00 74.14 C ATOM 417 CD GLN A 27 -7.841 -11.759 -13.488 1.00 54.01 C ATOM 418 OE1 GLN A 27 -7.349 -12.602 -12.747 1.00 75.21 O ATOM 419 NE2 GLN A 27 -8.352 -12.068 -14.657 1.00 23.12 N ATOM 0 H GLN A 27 -4.740 -8.959 -10.935 1.00 40.31 H new ATOM 0 HA GLN A 27 -5.152 -11.030 -12.838 1.00 31.10 H new ATOM 0 HB2 GLN A 27 -6.845 -10.418 -11.207 1.00 54.04 H new ATOM 0 HB3 GLN A 27 -6.952 -8.795 -11.858 1.00 54.04 H new ATOM 0 HG2 GLN A 27 -8.875 -10.112 -12.596 1.00 74.14 H new ATOM 0 HG3 GLN A 27 -7.889 -9.677 -13.978 1.00 74.14 H new ATOM 0 HE21 GLN A 27 -8.753 -11.339 -15.247 1.00 23.12 H new ATOM 0 HE22 GLN A 27 -8.348 -13.037 -14.975 1.00 23.12 H new ATOM 428 N ALA A 28 -4.887 -7.983 -14.026 1.00 35.21 N ATOM 429 CA ALA A 28 -4.683 -7.201 -15.223 1.00 2.23 C ATOM 430 C ALA A 28 -3.584 -7.822 -16.081 1.00 24.12 C ATOM 431 O ALA A 28 -3.717 -7.932 -17.300 1.00 61.44 O ATOM 432 CB ALA A 28 -4.363 -5.754 -14.845 1.00 24.22 C ATOM 0 H ALA A 28 -4.760 -7.454 -13.163 1.00 35.21 H new ATOM 0 HA ALA A 28 -5.596 -7.198 -15.818 1.00 2.23 H new ATOM 0 HB1 ALA A 28 -4.210 -5.167 -15.750 1.00 24.22 H new ATOM 0 HB2 ALA A 28 -5.193 -5.334 -14.277 1.00 24.22 H new ATOM 0 HB3 ALA A 28 -3.458 -5.728 -14.238 1.00 24.22 H new ATOM 438 N MET A 29 -2.515 -8.246 -15.442 1.00 15.41 N ATOM 439 CA MET A 29 -1.455 -8.920 -16.129 1.00 62.13 C ATOM 440 C MET A 29 -1.818 -10.318 -16.583 1.00 34.52 C ATOM 441 O MET A 29 -1.321 -10.769 -17.601 1.00 20.13 O ATOM 442 CB MET A 29 -0.162 -8.901 -15.365 1.00 2.32 C ATOM 443 CG MET A 29 0.601 -7.604 -15.491 1.00 73.34 C ATOM 444 SD MET A 29 2.181 -7.699 -14.727 1.00 10.24 S ATOM 445 CE MET A 29 2.862 -6.193 -15.331 1.00 54.10 C ATOM 0 H MET A 29 -2.364 -8.131 -14.440 1.00 15.41 H new ATOM 0 HA MET A 29 -1.298 -8.339 -17.038 1.00 62.13 H new ATOM 0 HB2 MET A 29 -0.370 -9.088 -14.312 1.00 2.32 H new ATOM 0 HB3 MET A 29 0.468 -9.718 -15.715 1.00 2.32 H new ATOM 0 HG2 MET A 29 0.721 -7.354 -16.545 1.00 73.34 H new ATOM 0 HG3 MET A 29 0.025 -6.798 -15.036 1.00 73.34 H new ATOM 0 HE1 MET A 29 3.950 -6.245 -15.294 1.00 54.10 H new ATOM 0 HE2 MET A 29 2.541 -6.036 -16.361 1.00 54.10 H new ATOM 0 HE3 MET A 29 2.517 -5.364 -14.713 1.00 54.10 H new ATOM 455 N ILE A 30 -2.666 -11.008 -15.834 1.00 0.43 N ATOM 456 CA ILE A 30 -3.106 -12.353 -16.232 1.00 21.41 C ATOM 457 C ILE A 30 -3.848 -12.283 -17.562 1.00 62.52 C ATOM 458 O ILE A 30 -3.581 -13.052 -18.493 1.00 71.04 O ATOM 459 CB ILE A 30 -4.062 -13.002 -15.193 1.00 5.30 C ATOM 460 CG1 ILE A 30 -3.414 -13.090 -13.816 1.00 1.13 C ATOM 461 CG2 ILE A 30 -4.496 -14.395 -15.659 1.00 13.44 C ATOM 462 CD1 ILE A 30 -4.301 -13.712 -12.775 1.00 45.53 C ATOM 0 H ILE A 30 -3.063 -10.671 -14.957 1.00 0.43 H new ATOM 0 HA ILE A 30 -2.205 -12.962 -16.307 1.00 21.41 H new ATOM 0 HB ILE A 30 -4.942 -12.363 -15.112 1.00 5.30 H new ATOM 0 HG12 ILE A 30 -2.495 -13.670 -13.892 1.00 1.13 H new ATOM 0 HG13 ILE A 30 -3.133 -12.088 -13.491 1.00 1.13 H new ATOM 0 HG21 ILE A 30 -5.165 -14.834 -14.919 1.00 13.44 H new ATOM 0 HG22 ILE A 30 -5.015 -14.314 -16.614 1.00 13.44 H new ATOM 0 HG23 ILE A 30 -3.618 -15.030 -15.776 1.00 13.44 H new ATOM 0 HD11 ILE A 30 -3.776 -13.742 -11.820 1.00 45.53 H new ATOM 0 HD12 ILE A 30 -5.210 -13.120 -12.670 1.00 45.53 H new ATOM 0 HD13 ILE A 30 -4.562 -14.726 -13.078 1.00 45.53 H new ATOM 474 N ILE A 31 -4.761 -11.351 -17.643 1.00 50.55 N ATOM 475 CA ILE A 31 -5.579 -11.190 -18.805 1.00 25.32 C ATOM 476 C ILE A 31 -4.743 -10.781 -20.022 1.00 13.01 C ATOM 477 O ILE A 31 -4.956 -11.283 -21.128 1.00 61.02 O ATOM 478 CB ILE A 31 -6.685 -10.144 -18.570 1.00 64.21 C ATOM 479 CG1 ILE A 31 -7.478 -10.490 -17.322 1.00 32.23 C ATOM 480 CG2 ILE A 31 -7.618 -10.130 -19.753 1.00 3.35 C ATOM 481 CD1 ILE A 31 -8.576 -9.510 -17.011 1.00 11.45 C ATOM 0 H ILE A 31 -4.955 -10.682 -16.898 1.00 50.55 H new ATOM 0 HA ILE A 31 -6.042 -12.157 -19.003 1.00 25.32 H new ATOM 0 HB ILE A 31 -6.223 -9.165 -18.444 1.00 64.21 H new ATOM 0 HG12 ILE A 31 -7.912 -11.482 -17.442 1.00 32.23 H new ATOM 0 HG13 ILE A 31 -6.797 -10.541 -16.472 1.00 32.23 H new ATOM 0 HG21 ILE A 31 -8.402 -9.391 -19.589 1.00 3.35 H new ATOM 0 HG22 ILE A 31 -7.060 -9.874 -20.654 1.00 3.35 H new ATOM 0 HG23 ILE A 31 -8.068 -11.115 -19.873 1.00 3.35 H new ATOM 0 HD11 ILE A 31 -9.098 -9.823 -16.107 1.00 11.45 H new ATOM 0 HD12 ILE A 31 -8.147 -8.520 -16.858 1.00 11.45 H new ATOM 0 HD13 ILE A 31 -9.280 -9.476 -17.843 1.00 11.45 H new ATOM 493 N THR A 32 -3.766 -9.926 -19.810 1.00 71.13 N ATOM 494 CA THR A 32 -3.000 -9.394 -20.890 1.00 2.53 C ATOM 495 C THR A 32 -1.846 -10.322 -21.288 1.00 43.31 C ATOM 496 O THR A 32 -1.666 -10.615 -22.477 1.00 21.22 O ATOM 497 CB THR A 32 -2.469 -7.994 -20.521 1.00 0.55 C ATOM 498 OG1 THR A 32 -1.745 -8.078 -19.285 1.00 73.23 O ATOM 499 CG2 THR A 32 -3.621 -7.000 -20.354 1.00 11.01 C ATOM 0 H THR A 32 -3.490 -9.589 -18.888 1.00 71.13 H new ATOM 0 HA THR A 32 -3.658 -9.312 -21.755 1.00 2.53 H new ATOM 0 HB THR A 32 -1.819 -7.646 -21.324 1.00 0.55 H new ATOM 0 HG1 THR A 32 -2.368 -7.984 -18.534 1.00 73.23 H new ATOM 0 HG21 THR A 32 -3.221 -6.020 -20.094 1.00 11.01 H new ATOM 0 HG22 THR A 32 -4.178 -6.928 -21.288 1.00 11.01 H new ATOM 0 HG23 THR A 32 -4.285 -7.343 -19.561 1.00 11.01 H new ATOM 507 N LYS A 33 -1.076 -10.803 -20.277 1.00 54.14 N ATOM 508 CA LYS A 33 0.107 -11.653 -20.491 1.00 21.01 C ATOM 509 C LYS A 33 1.179 -10.942 -21.314 1.00 44.24 C ATOM 510 O LYS A 33 2.125 -11.565 -21.804 1.00 53.12 O ATOM 511 CB LYS A 33 -0.290 -12.995 -21.113 1.00 62.21 C ATOM 512 CG LYS A 33 -1.034 -13.904 -20.147 1.00 63.04 C ATOM 513 CD LYS A 33 -1.579 -15.145 -20.830 1.00 32.44 C ATOM 514 CE LYS A 33 -2.768 -14.809 -21.719 1.00 45.31 C ATOM 515 NZ LYS A 33 -3.922 -14.324 -20.921 1.00 34.51 N ATOM 0 H LYS A 33 -1.265 -10.608 -19.294 1.00 54.14 H new ATOM 0 HA LYS A 33 0.547 -11.856 -19.515 1.00 21.01 H new ATOM 0 HB2 LYS A 33 -0.916 -12.813 -21.986 1.00 62.21 H new ATOM 0 HB3 LYS A 33 0.607 -13.505 -21.465 1.00 62.21 H new ATOM 0 HG2 LYS A 33 -0.363 -14.200 -19.340 1.00 63.04 H new ATOM 0 HG3 LYS A 33 -1.856 -13.352 -19.691 1.00 63.04 H new ATOM 0 HD2 LYS A 33 -0.794 -15.608 -21.428 1.00 32.44 H new ATOM 0 HD3 LYS A 33 -1.879 -15.875 -20.078 1.00 32.44 H new ATOM 0 HE2 LYS A 33 -2.479 -14.047 -22.443 1.00 45.31 H new ATOM 0 HE3 LYS A 33 -3.061 -15.693 -22.286 1.00 45.31 H new ATOM 0 HZ1 LYS A 33 -4.696 -15.016 -20.974 1.00 34.51 H new ATOM 0 HZ2 LYS A 33 -3.632 -14.204 -19.929 1.00 34.51 H new ATOM 0 HZ3 LYS A 33 -4.247 -13.411 -21.299 1.00 34.51 H new ATOM 529 N SER A 34 1.050 -9.631 -21.411 1.00 64.50 N ATOM 530 CA SER A 34 1.968 -8.818 -22.197 1.00 71.24 C ATOM 531 C SER A 34 3.137 -8.276 -21.340 1.00 64.32 C ATOM 532 O SER A 34 4.076 -7.678 -21.871 1.00 43.10 O ATOM 533 CB SER A 34 1.191 -7.664 -22.833 1.00 73.03 C ATOM 534 OG SER A 34 0.096 -8.158 -23.595 1.00 42.42 O ATOM 0 H SER A 34 0.311 -9.100 -20.951 1.00 64.50 H new ATOM 0 HA SER A 34 2.407 -9.444 -22.974 1.00 71.24 H new ATOM 0 HB2 SER A 34 0.827 -6.992 -22.056 1.00 73.03 H new ATOM 0 HB3 SER A 34 1.853 -7.082 -23.473 1.00 73.03 H new ATOM 0 HG SER A 34 -0.391 -7.407 -23.993 1.00 42.42 H new ATOM 540 N SER A 35 3.051 -8.481 -20.008 1.00 31.31 N ATOM 541 CA SER A 35 4.071 -8.021 -19.011 1.00 24.33 C ATOM 542 C SER A 35 4.066 -6.490 -18.827 1.00 4.53 C ATOM 543 O SER A 35 4.631 -5.962 -17.865 1.00 64.03 O ATOM 544 CB SER A 35 5.479 -8.490 -19.388 1.00 33.40 C ATOM 545 OG SER A 35 5.517 -9.891 -19.578 1.00 53.44 O ATOM 0 H SER A 35 2.268 -8.974 -19.579 1.00 31.31 H new ATOM 0 HA SER A 35 3.789 -8.476 -18.062 1.00 24.33 H new ATOM 0 HB2 SER A 35 5.800 -7.988 -20.300 1.00 33.40 H new ATOM 0 HB3 SER A 35 6.182 -8.207 -18.604 1.00 33.40 H new ATOM 0 HG SER A 35 5.360 -10.342 -18.722 1.00 53.44 H new ATOM 551 N LYS A 36 3.435 -5.809 -19.746 1.00 0.53 N ATOM 552 CA LYS A 36 3.313 -4.404 -19.797 1.00 40.02 C ATOM 553 C LYS A 36 2.042 -4.143 -20.542 1.00 30.14 C ATOM 554 O LYS A 36 1.310 -5.088 -20.858 1.00 50.04 O ATOM 555 CB LYS A 36 4.488 -3.755 -20.563 1.00 31.53 C ATOM 556 CG LYS A 36 5.855 -3.947 -19.939 1.00 15.23 C ATOM 557 CD LYS A 36 6.923 -3.263 -20.752 1.00 43.34 C ATOM 558 CE LYS A 36 8.285 -3.436 -20.116 1.00 21.42 C ATOM 559 NZ LYS A 36 9.329 -2.743 -20.881 1.00 33.20 N ATOM 0 H LYS A 36 2.965 -6.268 -20.526 1.00 0.53 H new ATOM 0 HA LYS A 36 3.316 -3.983 -18.792 1.00 40.02 H new ATOM 0 HB2 LYS A 36 4.509 -4.161 -21.574 1.00 31.53 H new ATOM 0 HB3 LYS A 36 4.295 -2.686 -20.652 1.00 31.53 H new ATOM 0 HG2 LYS A 36 5.854 -3.548 -18.925 1.00 15.23 H new ATOM 0 HG3 LYS A 36 6.077 -5.011 -19.863 1.00 15.23 H new ATOM 0 HD2 LYS A 36 6.935 -3.673 -21.762 1.00 43.34 H new ATOM 0 HD3 LYS A 36 6.692 -2.202 -20.842 1.00 43.34 H new ATOM 0 HE2 LYS A 36 8.263 -3.050 -19.097 1.00 21.42 H new ATOM 0 HE3 LYS A 36 8.525 -4.497 -20.050 1.00 21.42 H new ATOM 0 HZ1 LYS A 36 10.249 -2.882 -20.417 1.00 33.20 H new ATOM 0 HZ2 LYS A 36 9.366 -3.128 -21.846 1.00 33.20 H new ATOM 0 HZ3 LYS A 36 9.112 -1.727 -20.922 1.00 33.20 H new ATOM 573 N GLY A 37 1.796 -2.931 -20.828 1.00 41.22 N ATOM 574 CA GLY A 37 0.599 -2.547 -21.498 1.00 51.20 C ATOM 575 C GLY A 37 0.012 -1.376 -20.801 1.00 54.43 C ATOM 576 O GLY A 37 0.571 -0.917 -19.793 1.00 64.20 O ATOM 0 H GLY A 37 2.421 -2.156 -20.606 1.00 41.22 H new ATOM 0 HA2 GLY A 37 0.812 -2.299 -22.538 1.00 51.20 H new ATOM 0 HA3 GLY A 37 -0.110 -3.375 -21.507 1.00 51.20 H new ATOM 580 N ASP A 38 -1.082 -0.873 -21.287 1.00 73.14 N ATOM 581 CA ASP A 38 -1.689 0.257 -20.643 1.00 25.01 C ATOM 582 C ASP A 38 -2.623 -0.245 -19.562 1.00 15.44 C ATOM 583 O ASP A 38 -3.639 -0.908 -19.838 1.00 41.23 O ATOM 584 CB ASP A 38 -2.435 1.130 -21.651 1.00 43.01 C ATOM 585 CG ASP A 38 -2.938 2.433 -21.061 1.00 63.31 C ATOM 586 OD1 ASP A 38 -4.020 2.456 -20.491 1.00 55.40 O ATOM 587 OD2 ASP A 38 -2.249 3.475 -21.220 1.00 13.01 O ATOM 0 H ASP A 38 -1.568 -1.219 -22.114 1.00 73.14 H new ATOM 0 HA ASP A 38 -0.914 0.879 -20.195 1.00 25.01 H new ATOM 0 HB2 ASP A 38 -1.774 1.350 -22.489 1.00 43.01 H new ATOM 0 HB3 ASP A 38 -3.281 0.570 -22.050 1.00 43.01 H new ATOM 592 N PHE A 39 -2.257 0.027 -18.347 1.00 72.24 N ATOM 593 CA PHE A 39 -3.020 -0.365 -17.205 1.00 4.33 C ATOM 594 C PHE A 39 -3.363 0.865 -16.449 1.00 74.22 C ATOM 595 O PHE A 39 -2.472 1.649 -16.103 1.00 23.20 O ATOM 596 CB PHE A 39 -2.222 -1.321 -16.309 1.00 44.11 C ATOM 597 CG PHE A 39 -1.834 -2.612 -16.970 1.00 3.32 C ATOM 598 CD1 PHE A 39 -2.761 -3.602 -17.149 1.00 52.02 C ATOM 599 CD2 PHE A 39 -0.542 -2.831 -17.409 1.00 3.30 C ATOM 600 CE1 PHE A 39 -2.421 -4.792 -17.753 1.00 54.02 C ATOM 601 CE2 PHE A 39 -0.193 -4.015 -18.013 1.00 73.24 C ATOM 602 CZ PHE A 39 -1.135 -4.999 -18.185 1.00 24.21 C ATOM 0 H PHE A 39 -1.404 0.537 -18.119 1.00 72.24 H new ATOM 0 HA PHE A 39 -3.920 -0.890 -17.526 1.00 4.33 H new ATOM 0 HB2 PHE A 39 -1.318 -0.814 -15.971 1.00 44.11 H new ATOM 0 HB3 PHE A 39 -2.813 -1.545 -15.421 1.00 44.11 H new ATOM 0 HD1 PHE A 39 -3.775 -3.448 -16.811 1.00 52.02 H new ATOM 0 HD2 PHE A 39 0.204 -2.061 -17.276 1.00 3.30 H new ATOM 0 HE1 PHE A 39 -3.166 -5.562 -17.887 1.00 54.02 H new ATOM 0 HE2 PHE A 39 0.821 -4.171 -18.352 1.00 73.24 H new ATOM 0 HZ PHE A 39 -0.865 -5.932 -18.658 1.00 24.21 H new ATOM 612 N LEU A 40 -4.613 1.059 -16.185 1.00 60.32 N ATOM 613 CA LEU A 40 -5.025 2.262 -15.518 1.00 73.45 C ATOM 614 C LEU A 40 -5.664 1.943 -14.212 1.00 52.30 C ATOM 615 O LEU A 40 -6.631 1.192 -14.145 1.00 31.32 O ATOM 616 CB LEU A 40 -5.961 3.112 -16.377 1.00 51.32 C ATOM 617 CG LEU A 40 -5.428 3.573 -17.740 1.00 64.14 C ATOM 618 CD1 LEU A 40 -6.462 4.408 -18.464 1.00 31.42 C ATOM 619 CD2 LEU A 40 -4.142 4.360 -17.582 1.00 44.41 C ATOM 0 H LEU A 40 -5.365 0.410 -16.416 1.00 60.32 H new ATOM 0 HA LEU A 40 -4.126 2.853 -15.340 1.00 73.45 H new ATOM 0 HB2 LEU A 40 -6.876 2.544 -16.545 1.00 51.32 H new ATOM 0 HB3 LEU A 40 -6.237 3.997 -15.804 1.00 51.32 H new ATOM 0 HG LEU A 40 -5.218 2.683 -18.334 1.00 64.14 H new ATOM 0 HD11 LEU A 40 -6.064 4.725 -19.428 1.00 31.42 H new ATOM 0 HD12 LEU A 40 -7.363 3.815 -18.621 1.00 31.42 H new ATOM 0 HD13 LEU A 40 -6.704 5.286 -17.866 1.00 31.42 H new ATOM 0 HD21 LEU A 40 -3.785 4.675 -18.563 1.00 44.41 H new ATOM 0 HD22 LEU A 40 -4.327 5.238 -16.964 1.00 44.41 H new ATOM 0 HD23 LEU A 40 -3.388 3.733 -17.106 1.00 44.41 H new ATOM 631 N ILE A 41 -5.134 2.505 -13.181 1.00 31.04 N ATOM 632 CA ILE A 41 -5.611 2.253 -11.871 1.00 42.55 C ATOM 633 C ILE A 41 -6.288 3.494 -11.322 1.00 14.42 C ATOM 634 O ILE A 41 -5.771 4.610 -11.465 1.00 73.24 O ATOM 635 CB ILE A 41 -4.466 1.781 -10.936 1.00 33.04 C ATOM 636 CG1 ILE A 41 -3.750 0.574 -11.593 1.00 20.54 C ATOM 637 CG2 ILE A 41 -5.016 1.432 -9.554 1.00 44.14 C ATOM 638 CD1 ILE A 41 -2.820 -0.215 -10.703 1.00 53.11 C ATOM 0 H ILE A 41 -4.351 3.157 -13.227 1.00 31.04 H new ATOM 0 HA ILE A 41 -6.343 1.447 -11.917 1.00 42.55 H new ATOM 0 HB ILE A 41 -3.741 2.583 -10.797 1.00 33.04 H new ATOM 0 HG12 ILE A 41 -4.509 -0.104 -11.982 1.00 20.54 H new ATOM 0 HG13 ILE A 41 -3.180 0.938 -12.448 1.00 20.54 H new ATOM 0 HG21 ILE A 41 -4.200 1.103 -8.910 1.00 44.14 H new ATOM 0 HG22 ILE A 41 -5.490 2.312 -9.118 1.00 44.14 H new ATOM 0 HG23 ILE A 41 -5.751 0.632 -9.646 1.00 44.14 H new ATOM 0 HD11 ILE A 41 -2.378 -1.033 -11.272 1.00 53.11 H new ATOM 0 HD12 ILE A 41 -2.030 0.438 -10.333 1.00 53.11 H new ATOM 0 HD13 ILE A 41 -3.380 -0.620 -9.860 1.00 53.11 H new ATOM 650 N ARG A 42 -7.462 3.305 -10.739 1.00 4.22 N ATOM 651 CA ARG A 42 -8.225 4.376 -10.183 1.00 22.43 C ATOM 652 C ARG A 42 -7.486 4.934 -8.985 1.00 22.22 C ATOM 653 O ARG A 42 -7.110 4.193 -8.075 1.00 34.33 O ATOM 654 CB ARG A 42 -9.609 3.896 -9.726 1.00 50.54 C ATOM 655 CG ARG A 42 -10.525 5.045 -9.373 1.00 4.02 C ATOM 656 CD ARG A 42 -11.067 5.723 -10.622 1.00 55.03 C ATOM 657 NE ARG A 42 -12.379 5.185 -11.018 1.00 62.40 N ATOM 658 CZ ARG A 42 -13.151 5.686 -11.998 1.00 31.35 C ATOM 659 NH1 ARG A 42 -12.766 6.759 -12.674 1.00 75.21 N ATOM 660 NH2 ARG A 42 -14.312 5.116 -12.288 1.00 20.54 N ATOM 0 H ARG A 42 -7.903 2.390 -10.645 1.00 4.22 H new ATOM 0 HA ARG A 42 -8.357 5.138 -10.951 1.00 22.43 H new ATOM 0 HB2 ARG A 42 -10.065 3.301 -10.517 1.00 50.54 H new ATOM 0 HB3 ARG A 42 -9.498 3.243 -8.860 1.00 50.54 H new ATOM 0 HG2 ARG A 42 -11.354 4.679 -8.766 1.00 4.02 H new ATOM 0 HG3 ARG A 42 -9.983 5.772 -8.768 1.00 4.02 H new ATOM 0 HD2 ARG A 42 -11.154 6.795 -10.444 1.00 55.03 H new ATOM 0 HD3 ARG A 42 -10.360 5.592 -11.441 1.00 55.03 H new ATOM 0 HE ARG A 42 -12.728 4.372 -10.511 1.00 62.40 H new ATOM 0 HH11 ARG A 42 -11.879 7.210 -12.452 1.00 75.21 H new ATOM 0 HH12 ARG A 42 -13.357 7.133 -13.416 1.00 75.21 H new ATOM 0 HH21 ARG A 42 -14.621 4.295 -11.767 1.00 20.54 H new ATOM 0 HH22 ARG A 42 -14.896 5.498 -13.032 1.00 20.54 H new ATOM 674 N THR A 43 -7.279 6.194 -8.993 1.00 0.51 N ATOM 675 CA THR A 43 -6.605 6.858 -7.939 1.00 61.02 C ATOM 676 C THR A 43 -7.414 8.092 -7.562 1.00 41.41 C ATOM 677 O THR A 43 -8.169 8.618 -8.391 1.00 21.25 O ATOM 678 CB THR A 43 -5.147 7.220 -8.357 1.00 2.11 C ATOM 679 OG1 THR A 43 -4.412 7.790 -7.268 1.00 31.51 O ATOM 680 CG2 THR A 43 -5.126 8.172 -9.527 1.00 12.21 C ATOM 0 H THR A 43 -7.579 6.810 -9.748 1.00 0.51 H new ATOM 0 HA THR A 43 -6.523 6.206 -7.070 1.00 61.02 H new ATOM 0 HB THR A 43 -4.669 6.286 -8.653 1.00 2.11 H new ATOM 0 HG1 THR A 43 -3.502 8.004 -7.564 1.00 31.51 H new ATOM 0 HG21 THR A 43 -4.094 8.402 -9.790 1.00 12.21 H new ATOM 0 HG22 THR A 43 -5.624 7.711 -10.380 1.00 12.21 H new ATOM 0 HG23 THR A 43 -5.645 9.092 -9.257 1.00 12.21 H new ATOM 688 N LYS A 44 -7.299 8.516 -6.337 1.00 10.34 N ATOM 689 CA LYS A 44 -8.043 9.642 -5.841 1.00 73.54 C ATOM 690 C LYS A 44 -7.110 10.810 -5.645 1.00 34.34 C ATOM 691 O LYS A 44 -6.192 10.760 -4.811 1.00 41.11 O ATOM 692 CB LYS A 44 -8.726 9.269 -4.540 1.00 60.11 C ATOM 693 CG LYS A 44 -9.775 8.182 -4.712 1.00 71.11 C ATOM 694 CD LYS A 44 -10.357 7.753 -3.388 1.00 50.22 C ATOM 695 CE LYS A 44 -11.068 8.891 -2.667 1.00 3.03 C ATOM 696 NZ LYS A 44 -11.570 8.477 -1.341 1.00 71.43 N ATOM 0 H LYS A 44 -6.682 8.088 -5.647 1.00 10.34 H new ATOM 0 HA LYS A 44 -8.810 9.927 -6.561 1.00 73.54 H new ATOM 0 HB2 LYS A 44 -7.975 8.932 -3.825 1.00 60.11 H new ATOM 0 HB3 LYS A 44 -9.196 10.156 -4.115 1.00 60.11 H new ATOM 0 HG2 LYS A 44 -10.573 8.546 -5.359 1.00 71.11 H new ATOM 0 HG3 LYS A 44 -9.329 7.321 -5.209 1.00 71.11 H new ATOM 0 HD2 LYS A 44 -11.059 6.936 -3.551 1.00 50.22 H new ATOM 0 HD3 LYS A 44 -9.560 7.366 -2.753 1.00 50.22 H new ATOM 0 HE2 LYS A 44 -10.382 9.730 -2.549 1.00 3.03 H new ATOM 0 HE3 LYS A 44 -11.901 9.242 -3.276 1.00 3.03 H new ATOM 0 HZ1 LYS A 44 -12.047 9.280 -0.884 1.00 71.43 H new ATOM 0 HZ2 LYS A 44 -12.244 7.693 -1.454 1.00 71.43 H new ATOM 0 HZ3 LYS A 44 -10.773 8.166 -0.750 1.00 71.43 H new ATOM 710 N LYS A 45 -7.317 11.841 -6.422 1.00 55.33 N ATOM 711 CA LYS A 45 -6.439 12.977 -6.425 1.00 0.41 C ATOM 712 C LYS A 45 -7.218 14.272 -6.257 1.00 31.05 C ATOM 713 O LYS A 45 -7.969 14.664 -7.148 1.00 25.12 O ATOM 714 CB LYS A 45 -5.639 13.023 -7.741 1.00 24.44 C ATOM 715 CG LYS A 45 -4.852 11.764 -8.048 1.00 13.20 C ATOM 716 CD LYS A 45 -3.892 11.989 -9.198 1.00 52.11 C ATOM 717 CE LYS A 45 -2.707 12.862 -8.784 1.00 54.50 C ATOM 718 NZ LYS A 45 -1.907 12.238 -7.693 1.00 22.34 N ATOM 0 H LYS A 45 -8.101 11.915 -7.071 1.00 55.33 H new ATOM 0 HA LYS A 45 -5.753 12.875 -5.584 1.00 0.41 H new ATOM 0 HB2 LYS A 45 -6.329 13.214 -8.563 1.00 24.44 H new ATOM 0 HB3 LYS A 45 -4.949 13.866 -7.702 1.00 24.44 H new ATOM 0 HG2 LYS A 45 -4.298 11.453 -7.163 1.00 13.20 H new ATOM 0 HG3 LYS A 45 -5.538 10.954 -8.296 1.00 13.20 H new ATOM 0 HD2 LYS A 45 -3.527 11.028 -9.560 1.00 52.11 H new ATOM 0 HD3 LYS A 45 -4.420 12.462 -10.026 1.00 52.11 H new ATOM 0 HE2 LYS A 45 -2.066 13.037 -9.648 1.00 54.50 H new ATOM 0 HE3 LYS A 45 -3.071 13.835 -8.455 1.00 54.50 H new ATOM 0 HZ1 LYS A 45 -0.970 12.687 -7.649 1.00 22.34 H new ATOM 0 HZ2 LYS A 45 -2.397 12.369 -6.785 1.00 22.34 H new ATOM 0 HZ3 LYS A 45 -1.795 11.222 -7.882 1.00 22.34 H new ATOM 732 N ASP A 46 -7.058 14.899 -5.090 1.00 5.20 N ATOM 733 CA ASP A 46 -7.651 16.230 -4.771 1.00 11.13 C ATOM 734 C ASP A 46 -9.193 16.218 -4.925 1.00 13.40 C ATOM 735 O ASP A 46 -9.822 17.216 -5.253 1.00 72.21 O ATOM 736 CB ASP A 46 -6.976 17.329 -5.652 1.00 25.22 C ATOM 737 CG ASP A 46 -7.379 18.761 -5.296 1.00 13.22 C ATOM 738 OD1 ASP A 46 -6.948 19.270 -4.234 1.00 74.54 O ATOM 739 OD2 ASP A 46 -8.116 19.406 -6.076 1.00 4.52 O ATOM 0 H ASP A 46 -6.511 14.507 -4.323 1.00 5.20 H new ATOM 0 HA ASP A 46 -7.454 16.464 -3.725 1.00 11.13 H new ATOM 0 HB2 ASP A 46 -5.894 17.236 -5.561 1.00 25.22 H new ATOM 0 HB3 ASP A 46 -7.225 17.144 -6.697 1.00 25.22 H new ATOM 744 N GLY A 47 -9.794 15.091 -4.614 1.00 54.23 N ATOM 745 CA GLY A 47 -11.237 14.962 -4.704 1.00 35.54 C ATOM 746 C GLY A 47 -11.711 14.518 -6.074 1.00 34.25 C ATOM 747 O GLY A 47 -12.882 14.676 -6.414 1.00 24.02 O ATOM 0 H GLY A 47 -9.310 14.251 -4.297 1.00 54.23 H new ATOM 0 HA2 GLY A 47 -11.579 14.245 -3.958 1.00 35.54 H new ATOM 0 HA3 GLY A 47 -11.697 15.919 -4.460 1.00 35.54 H new ATOM 751 N LYS A 48 -10.812 13.987 -6.856 1.00 11.32 N ATOM 752 CA LYS A 48 -11.138 13.453 -8.164 1.00 21.01 C ATOM 753 C LYS A 48 -10.717 12.007 -8.255 1.00 63.01 C ATOM 754 O LYS A 48 -9.615 11.656 -7.844 1.00 43.34 O ATOM 755 CB LYS A 48 -10.413 14.223 -9.268 1.00 23.22 C ATOM 756 CG LYS A 48 -10.827 15.668 -9.439 1.00 42.22 C ATOM 757 CD LYS A 48 -9.977 16.363 -10.503 1.00 33.45 C ATOM 758 CE LYS A 48 -10.037 15.661 -11.864 1.00 20.34 C ATOM 759 NZ LYS A 48 -11.401 15.620 -12.432 1.00 73.44 N ATOM 0 H LYS A 48 -9.825 13.909 -6.609 1.00 11.32 H new ATOM 0 HA LYS A 48 -12.216 13.548 -8.296 1.00 21.01 H new ATOM 0 HB2 LYS A 48 -9.343 14.192 -9.065 1.00 23.22 H new ATOM 0 HB3 LYS A 48 -10.573 13.704 -10.213 1.00 23.22 H new ATOM 0 HG2 LYS A 48 -11.879 15.717 -9.721 1.00 42.22 H new ATOM 0 HG3 LYS A 48 -10.726 16.193 -8.489 1.00 42.22 H new ATOM 0 HD2 LYS A 48 -10.315 17.393 -10.616 1.00 33.45 H new ATOM 0 HD3 LYS A 48 -8.941 16.403 -10.165 1.00 33.45 H new ATOM 0 HE2 LYS A 48 -9.374 16.174 -12.561 1.00 20.34 H new ATOM 0 HE3 LYS A 48 -9.662 14.643 -11.759 1.00 20.34 H new ATOM 0 HZ1 LYS A 48 -11.377 15.149 -13.359 1.00 73.44 H new ATOM 0 HZ2 LYS A 48 -12.028 15.092 -11.792 1.00 73.44 H new ATOM 0 HZ3 LYS A 48 -11.759 16.590 -12.545 1.00 73.44 H new ATOM 773 N GLN A 49 -11.577 11.171 -8.778 1.00 52.43 N ATOM 774 CA GLN A 49 -11.217 9.809 -9.031 1.00 52.41 C ATOM 775 C GLN A 49 -10.743 9.765 -10.460 1.00 25.13 C ATOM 776 O GLN A 49 -11.501 10.098 -11.375 1.00 11.55 O ATOM 777 CB GLN A 49 -12.409 8.830 -8.870 1.00 1.25 C ATOM 778 CG GLN A 49 -13.113 8.784 -7.503 1.00 1.20 C ATOM 779 CD GLN A 49 -13.935 10.017 -7.178 1.00 54.11 C ATOM 780 OE1 GLN A 49 -15.105 10.094 -7.517 1.00 31.04 O ATOM 781 NE2 GLN A 49 -13.360 10.952 -6.487 1.00 2.31 N ATOM 0 H GLN A 49 -12.533 11.415 -9.036 1.00 52.43 H new ATOM 0 HA GLN A 49 -10.459 9.496 -8.313 1.00 52.41 H new ATOM 0 HB2 GLN A 49 -13.155 9.082 -9.624 1.00 1.25 H new ATOM 0 HB3 GLN A 49 -12.052 7.826 -9.098 1.00 1.25 H new ATOM 0 HG2 GLN A 49 -13.764 7.910 -7.473 1.00 1.20 H new ATOM 0 HG3 GLN A 49 -12.361 8.648 -6.725 1.00 1.20 H new ATOM 0 HE21 GLN A 49 -12.380 10.859 -6.219 1.00 2.31 H new ATOM 0 HE22 GLN A 49 -13.887 11.781 -6.212 1.00 2.31 H new ATOM 790 N VAL A 50 -9.524 9.376 -10.674 1.00 22.44 N ATOM 791 CA VAL A 50 -8.980 9.392 -12.015 1.00 20.01 C ATOM 792 C VAL A 50 -8.278 8.093 -12.316 1.00 11.21 C ATOM 793 O VAL A 50 -7.974 7.322 -11.404 1.00 23.52 O ATOM 794 CB VAL A 50 -7.992 10.596 -12.255 1.00 5.22 C ATOM 795 CG1 VAL A 50 -8.686 11.936 -12.068 1.00 33.41 C ATOM 796 CG2 VAL A 50 -6.780 10.513 -11.349 1.00 43.21 C ATOM 0 H VAL A 50 -8.885 9.045 -9.951 1.00 22.44 H new ATOM 0 HA VAL A 50 -9.825 9.520 -12.692 1.00 20.01 H new ATOM 0 HB VAL A 50 -7.656 10.522 -13.289 1.00 5.22 H new ATOM 0 HG11 VAL A 50 -7.973 12.742 -12.242 1.00 33.41 H new ATOM 0 HG12 VAL A 50 -9.510 12.021 -12.777 1.00 33.41 H new ATOM 0 HG13 VAL A 50 -9.073 12.007 -11.051 1.00 33.41 H new ATOM 0 HG21 VAL A 50 -6.122 11.360 -11.543 1.00 43.21 H new ATOM 0 HG22 VAL A 50 -7.102 10.535 -10.308 1.00 43.21 H new ATOM 0 HG23 VAL A 50 -6.243 9.584 -11.543 1.00 43.21 H new ATOM 806 N TRP A 51 -8.061 7.838 -13.567 1.00 43.44 N ATOM 807 CA TRP A 51 -7.330 6.684 -13.989 1.00 70.32 C ATOM 808 C TRP A 51 -5.887 7.069 -14.219 1.00 12.12 C ATOM 809 O TRP A 51 -5.593 7.921 -15.062 1.00 41.51 O ATOM 810 CB TRP A 51 -7.921 6.105 -15.272 1.00 72.51 C ATOM 811 CG TRP A 51 -9.292 5.567 -15.143 1.00 3.23 C ATOM 812 CD1 TRP A 51 -10.390 6.054 -15.734 1.00 30.32 C ATOM 813 CD2 TRP A 51 -9.707 4.433 -14.378 1.00 13.02 C ATOM 814 NE1 TRP A 51 -11.482 5.295 -15.408 1.00 60.30 N ATOM 815 CE2 TRP A 51 -11.087 4.293 -14.569 1.00 42.34 C ATOM 816 CE3 TRP A 51 -9.046 3.521 -13.555 1.00 74.44 C ATOM 817 CZ2 TRP A 51 -11.822 3.279 -13.970 1.00 21.23 C ATOM 818 CZ3 TRP A 51 -9.779 2.513 -12.960 1.00 73.03 C ATOM 819 CH2 TRP A 51 -11.156 2.402 -13.170 1.00 1.12 C ATOM 0 H TRP A 51 -8.388 8.429 -14.331 1.00 43.44 H new ATOM 0 HA TRP A 51 -7.393 5.923 -13.211 1.00 70.32 H new ATOM 0 HB2 TRP A 51 -7.923 6.882 -16.036 1.00 72.51 H new ATOM 0 HB3 TRP A 51 -7.267 5.309 -15.628 1.00 72.51 H new ATOM 0 HD1 TRP A 51 -10.411 6.922 -16.376 1.00 30.32 H new ATOM 0 HE1 TRP A 51 -12.434 5.452 -15.738 1.00 60.30 H new ATOM 0 HE3 TRP A 51 -7.982 3.602 -13.386 1.00 74.44 H new ATOM 0 HZ2 TRP A 51 -12.886 3.189 -14.133 1.00 21.23 H new ATOM 0 HZ3 TRP A 51 -9.280 1.799 -12.322 1.00 73.03 H new ATOM 0 HH2 TRP A 51 -11.703 1.605 -12.688 1.00 1.12 H new ATOM 830 N GLU A 52 -5.007 6.470 -13.471 1.00 73.45 N ATOM 831 CA GLU A 52 -3.597 6.737 -13.588 1.00 31.15 C ATOM 832 C GLU A 52 -2.896 5.487 -14.057 1.00 74.04 C ATOM 833 O GLU A 52 -3.267 4.386 -13.659 1.00 22.12 O ATOM 834 CB GLU A 52 -3.033 7.189 -12.236 1.00 23.24 C ATOM 835 CG GLU A 52 -1.548 7.488 -12.240 1.00 64.21 C ATOM 836 CD GLU A 52 -1.051 7.956 -10.907 1.00 23.31 C ATOM 837 OE1 GLU A 52 -1.117 9.173 -10.637 1.00 64.24 O ATOM 838 OE2 GLU A 52 -0.574 7.123 -10.110 1.00 32.44 O ATOM 0 H GLU A 52 -5.245 5.779 -12.759 1.00 73.45 H new ATOM 0 HA GLU A 52 -3.434 7.536 -14.312 1.00 31.15 H new ATOM 0 HB2 GLU A 52 -3.569 8.082 -11.914 1.00 23.24 H new ATOM 0 HB3 GLU A 52 -3.232 6.413 -11.497 1.00 23.24 H new ATOM 0 HG2 GLU A 52 -1.001 6.592 -12.533 1.00 64.21 H new ATOM 0 HG3 GLU A 52 -1.337 8.250 -12.990 1.00 64.21 H new ATOM 845 N ALA A 53 -1.911 5.650 -14.908 1.00 14.31 N ATOM 846 CA ALA A 53 -1.174 4.527 -15.439 1.00 74.31 C ATOM 847 C ALA A 53 -0.342 3.869 -14.357 1.00 21.30 C ATOM 848 O ALA A 53 0.178 4.548 -13.455 1.00 54.22 O ATOM 849 CB ALA A 53 -0.293 4.970 -16.599 1.00 24.13 C ATOM 0 H ALA A 53 -1.599 6.559 -15.250 1.00 14.31 H new ATOM 0 HA ALA A 53 -1.889 3.793 -15.809 1.00 74.31 H new ATOM 0 HB1 ALA A 53 0.256 4.112 -16.988 1.00 24.13 H new ATOM 0 HB2 ALA A 53 -0.916 5.391 -17.389 1.00 24.13 H new ATOM 0 HB3 ALA A 53 0.413 5.725 -16.252 1.00 24.13 H new ATOM 855 N ALA A 54 -0.250 2.560 -14.425 1.00 75.15 N ATOM 856 CA ALA A 54 0.544 1.786 -13.499 1.00 44.02 C ATOM 857 C ALA A 54 2.029 2.132 -13.638 1.00 31.23 C ATOM 858 O ALA A 54 2.456 2.762 -14.628 1.00 53.02 O ATOM 859 CB ALA A 54 0.311 0.307 -13.731 1.00 24.42 C ATOM 0 H ALA A 54 -0.728 1.999 -15.130 1.00 75.15 H new ATOM 0 HA ALA A 54 0.238 2.032 -12.482 1.00 44.02 H new ATOM 0 HB1 ALA A 54 0.913 -0.271 -13.029 1.00 24.42 H new ATOM 0 HB2 ALA A 54 -0.744 0.077 -13.580 1.00 24.42 H new ATOM 0 HB3 ALA A 54 0.596 0.049 -14.751 1.00 24.42 H new ATOM 865 N SER A 55 2.812 1.717 -12.692 1.00 51.40 N ATOM 866 CA SER A 55 4.196 2.065 -12.687 1.00 54.03 C ATOM 867 C SER A 55 5.019 0.833 -13.015 1.00 33.54 C ATOM 868 O SER A 55 4.610 -0.277 -12.693 1.00 2.23 O ATOM 869 CB SER A 55 4.573 2.670 -11.330 1.00 43.54 C ATOM 870 OG SER A 55 5.905 3.156 -11.330 1.00 70.03 O ATOM 0 H SER A 55 2.513 1.134 -11.910 1.00 51.40 H new ATOM 0 HA SER A 55 4.403 2.819 -13.446 1.00 54.03 H new ATOM 0 HB2 SER A 55 3.888 3.483 -11.090 1.00 43.54 H new ATOM 0 HB3 SER A 55 4.459 1.917 -10.550 1.00 43.54 H new ATOM 0 HG SER A 55 6.114 3.537 -10.452 1.00 70.03 H new ATOM 876 N LYS A 56 6.170 1.033 -13.657 1.00 62.10 N ATOM 877 CA LYS A 56 7.030 -0.064 -14.107 1.00 14.15 C ATOM 878 C LYS A 56 7.385 -1.036 -12.989 1.00 32.15 C ATOM 879 O LYS A 56 7.279 -2.251 -13.158 1.00 10.23 O ATOM 880 CB LYS A 56 8.289 0.475 -14.756 1.00 65.11 C ATOM 881 CG LYS A 56 8.012 1.278 -16.015 1.00 32.03 C ATOM 882 CD LYS A 56 9.278 1.845 -16.611 1.00 2.51 C ATOM 883 CE LYS A 56 10.244 0.756 -17.071 1.00 23.31 C ATOM 884 NZ LYS A 56 11.491 1.329 -17.637 1.00 30.21 N ATOM 0 H LYS A 56 6.533 1.960 -13.880 1.00 62.10 H new ATOM 0 HA LYS A 56 6.456 -0.625 -14.845 1.00 14.15 H new ATOM 0 HB2 LYS A 56 8.819 1.103 -14.040 1.00 65.11 H new ATOM 0 HB3 LYS A 56 8.950 -0.357 -15.000 1.00 65.11 H new ATOM 0 HG2 LYS A 56 7.518 0.642 -16.750 1.00 32.03 H new ATOM 0 HG3 LYS A 56 7.324 2.091 -15.783 1.00 32.03 H new ATOM 0 HD2 LYS A 56 9.024 2.482 -17.458 1.00 2.51 H new ATOM 0 HD3 LYS A 56 9.772 2.477 -15.873 1.00 2.51 H new ATOM 0 HE2 LYS A 56 10.491 0.109 -16.229 1.00 23.31 H new ATOM 0 HE3 LYS A 56 9.758 0.132 -17.821 1.00 23.31 H new ATOM 0 HZ1 LYS A 56 12.122 0.559 -17.938 1.00 30.21 H new ATOM 0 HZ2 LYS A 56 11.258 1.926 -18.456 1.00 30.21 H new ATOM 0 HZ3 LYS A 56 11.968 1.904 -16.914 1.00 30.21 H new ATOM 898 N THR A 57 7.771 -0.506 -11.849 1.00 62.05 N ATOM 899 CA THR A 57 8.143 -1.334 -10.725 1.00 72.31 C ATOM 900 C THR A 57 6.911 -2.051 -10.124 1.00 32.41 C ATOM 901 O THR A 57 6.994 -3.220 -9.748 1.00 64.33 O ATOM 902 CB THR A 57 8.900 -0.504 -9.657 1.00 33.41 C ATOM 903 OG1 THR A 57 10.051 0.108 -10.278 1.00 23.40 O ATOM 904 CG2 THR A 57 9.369 -1.381 -8.503 1.00 64.44 C ATOM 0 H THR A 57 7.835 0.497 -11.677 1.00 62.05 H new ATOM 0 HA THR A 57 8.821 -2.108 -11.084 1.00 72.31 H new ATOM 0 HB THR A 57 8.222 0.251 -9.260 1.00 33.41 H new ATOM 0 HG1 THR A 57 10.538 0.638 -9.613 1.00 23.40 H new ATOM 0 HG21 THR A 57 9.896 -0.769 -7.771 1.00 64.44 H new ATOM 0 HG22 THR A 57 8.507 -1.851 -8.029 1.00 64.44 H new ATOM 0 HG23 THR A 57 10.040 -2.152 -8.881 1.00 64.44 H new ATOM 912 N ALA A 58 5.775 -1.356 -10.080 1.00 44.13 N ATOM 913 CA ALA A 58 4.526 -1.927 -9.570 1.00 64.13 C ATOM 914 C ALA A 58 4.015 -3.021 -10.504 1.00 42.02 C ATOM 915 O ALA A 58 3.495 -4.051 -10.056 1.00 3.33 O ATOM 916 CB ALA A 58 3.480 -0.848 -9.394 1.00 0.22 C ATOM 0 H ALA A 58 5.693 -0.389 -10.394 1.00 44.13 H new ATOM 0 HA ALA A 58 4.726 -2.373 -8.596 1.00 64.13 H new ATOM 0 HB1 ALA A 58 2.560 -1.292 -9.014 1.00 0.22 H new ATOM 0 HB2 ALA A 58 3.842 -0.102 -8.686 1.00 0.22 H new ATOM 0 HB3 ALA A 58 3.284 -0.371 -10.354 1.00 0.22 H new ATOM 922 N LEU A 59 4.162 -2.793 -11.799 1.00 51.13 N ATOM 923 CA LEU A 59 3.843 -3.784 -12.797 1.00 74.03 C ATOM 924 C LEU A 59 4.715 -5.008 -12.586 1.00 65.22 C ATOM 925 O LEU A 59 4.217 -6.117 -12.477 1.00 55.42 O ATOM 926 CB LEU A 59 4.046 -3.217 -14.209 1.00 23.40 C ATOM 927 CG LEU A 59 3.058 -2.159 -14.687 1.00 1.15 C ATOM 928 CD1 LEU A 59 3.557 -1.538 -15.980 1.00 53.43 C ATOM 929 CD2 LEU A 59 1.719 -2.805 -14.947 1.00 41.25 C ATOM 0 H LEU A 59 4.507 -1.913 -12.182 1.00 51.13 H new ATOM 0 HA LEU A 59 2.795 -4.066 -12.697 1.00 74.03 H new ATOM 0 HB2 LEU A 59 5.048 -2.790 -14.260 1.00 23.40 H new ATOM 0 HB3 LEU A 59 4.017 -4.048 -14.914 1.00 23.40 H new ATOM 0 HG LEU A 59 2.961 -1.390 -13.921 1.00 1.15 H new ATOM 0 HD11 LEU A 59 2.848 -0.782 -16.318 1.00 53.43 H new ATOM 0 HD12 LEU A 59 4.528 -1.074 -15.809 1.00 53.43 H new ATOM 0 HD13 LEU A 59 3.653 -2.312 -16.742 1.00 53.43 H new ATOM 0 HD21 LEU A 59 1.011 -2.050 -15.289 1.00 41.25 H new ATOM 0 HD22 LEU A 59 1.828 -3.573 -15.713 1.00 41.25 H new ATOM 0 HD23 LEU A 59 1.349 -3.259 -14.028 1.00 41.25 H new ATOM 941 N LYS A 60 6.020 -4.792 -12.480 1.00 33.34 N ATOM 942 CA LYS A 60 6.952 -5.885 -12.226 1.00 62.30 C ATOM 943 C LYS A 60 6.663 -6.585 -10.907 1.00 30.13 C ATOM 944 O LYS A 60 6.924 -7.756 -10.769 1.00 3.42 O ATOM 945 CB LYS A 60 8.409 -5.441 -12.320 1.00 52.04 C ATOM 946 CG LYS A 60 8.823 -5.032 -13.721 1.00 1.11 C ATOM 947 CD LYS A 60 10.293 -4.688 -13.781 1.00 5.25 C ATOM 948 CE LYS A 60 10.714 -4.327 -15.195 1.00 33.54 C ATOM 949 NZ LYS A 60 12.158 -4.019 -15.279 1.00 63.51 N ATOM 0 H LYS A 60 6.456 -3.874 -12.565 1.00 33.34 H new ATOM 0 HA LYS A 60 6.794 -6.615 -13.020 1.00 62.30 H new ATOM 0 HB2 LYS A 60 8.571 -4.603 -11.642 1.00 52.04 H new ATOM 0 HB3 LYS A 60 9.052 -6.254 -11.981 1.00 52.04 H new ATOM 0 HG2 LYS A 60 8.608 -5.843 -14.417 1.00 1.11 H new ATOM 0 HG3 LYS A 60 8.233 -4.173 -14.041 1.00 1.11 H new ATOM 0 HD2 LYS A 60 10.502 -3.853 -13.112 1.00 5.25 H new ATOM 0 HD3 LYS A 60 10.882 -5.534 -13.428 1.00 5.25 H new ATOM 0 HE2 LYS A 60 10.480 -5.154 -15.866 1.00 33.54 H new ATOM 0 HE3 LYS A 60 10.139 -3.466 -15.536 1.00 33.54 H new ATOM 0 HZ1 LYS A 60 12.405 -3.778 -16.260 1.00 63.51 H new ATOM 0 HZ2 LYS A 60 12.378 -3.214 -14.658 1.00 63.51 H new ATOM 0 HZ3 LYS A 60 12.708 -4.849 -14.978 1.00 63.51 H new ATOM 963 N LYS A 61 6.128 -5.847 -9.955 1.00 61.15 N ATOM 964 CA LYS A 61 5.712 -6.382 -8.668 1.00 73.25 C ATOM 965 C LYS A 61 4.525 -7.346 -8.841 1.00 23.05 C ATOM 966 O LYS A 61 4.497 -8.430 -8.254 1.00 25.31 O ATOM 967 CB LYS A 61 5.434 -5.182 -7.696 1.00 11.10 C ATOM 968 CG LYS A 61 4.714 -5.459 -6.370 1.00 44.43 C ATOM 969 CD LYS A 61 3.206 -5.568 -6.566 1.00 1.42 C ATOM 970 CE LYS A 61 2.476 -5.771 -5.254 1.00 61.45 C ATOM 971 NZ LYS A 61 1.014 -5.834 -5.452 1.00 42.53 N ATOM 0 H LYS A 61 5.967 -4.845 -10.052 1.00 61.15 H new ATOM 0 HA LYS A 61 6.501 -6.985 -8.218 1.00 73.25 H new ATOM 0 HB2 LYS A 61 6.392 -4.718 -7.461 1.00 11.10 H new ATOM 0 HB3 LYS A 61 4.848 -4.443 -8.242 1.00 11.10 H new ATOM 0 HG2 LYS A 61 5.093 -6.384 -5.935 1.00 44.43 H new ATOM 0 HG3 LYS A 61 4.933 -4.660 -5.662 1.00 44.43 H new ATOM 0 HD2 LYS A 61 2.837 -4.664 -7.050 1.00 1.42 H new ATOM 0 HD3 LYS A 61 2.987 -6.400 -7.235 1.00 1.42 H new ATOM 0 HE2 LYS A 61 2.820 -6.692 -4.784 1.00 61.45 H new ATOM 0 HE3 LYS A 61 2.717 -4.955 -4.572 1.00 61.45 H new ATOM 0 HZ1 LYS A 61 0.545 -5.974 -4.534 1.00 42.53 H new ATOM 0 HZ2 LYS A 61 0.683 -4.945 -5.878 1.00 42.53 H new ATOM 0 HZ3 LYS A 61 0.783 -6.628 -6.083 1.00 42.53 H new ATOM 985 N SER A 62 3.582 -6.961 -9.675 1.00 73.22 N ATOM 986 CA SER A 62 2.410 -7.770 -9.970 1.00 62.34 C ATOM 987 C SER A 62 2.812 -8.993 -10.818 1.00 23.34 C ATOM 988 O SER A 62 2.330 -10.113 -10.603 1.00 71.31 O ATOM 989 CB SER A 62 1.411 -6.901 -10.715 1.00 64.20 C ATOM 990 OG SER A 62 1.130 -5.726 -9.953 1.00 54.14 O ATOM 0 H SER A 62 3.604 -6.071 -10.173 1.00 73.22 H new ATOM 0 HA SER A 62 1.960 -8.139 -9.048 1.00 62.34 H new ATOM 0 HB2 SER A 62 1.811 -6.626 -11.691 1.00 64.20 H new ATOM 0 HB3 SER A 62 0.492 -7.459 -10.893 1.00 64.20 H new ATOM 0 HG SER A 62 1.899 -5.120 -9.990 1.00 54.14 H new ATOM 996 N TRP A 63 3.731 -8.769 -11.749 1.00 61.04 N ATOM 997 CA TRP A 63 4.241 -9.799 -12.626 1.00 2.52 C ATOM 998 C TRP A 63 5.139 -10.763 -11.844 1.00 0.22 C ATOM 999 O TRP A 63 5.243 -11.940 -12.168 1.00 63.20 O ATOM 1000 CB TRP A 63 5.001 -9.141 -13.784 1.00 52.33 C ATOM 1001 CG TRP A 63 5.564 -10.087 -14.783 1.00 52.21 C ATOM 1002 CD1 TRP A 63 6.852 -10.477 -14.870 1.00 33.12 C ATOM 1003 CD2 TRP A 63 4.863 -10.766 -15.837 1.00 61.40 C ATOM 1004 NE1 TRP A 63 7.013 -11.350 -15.906 1.00 14.15 N ATOM 1005 CE2 TRP A 63 5.809 -11.546 -16.517 1.00 13.34 C ATOM 1006 CE3 TRP A 63 3.532 -10.788 -16.275 1.00 45.22 C ATOM 1007 CZ2 TRP A 63 5.478 -12.343 -17.601 1.00 35.11 C ATOM 1008 CZ3 TRP A 63 3.207 -11.588 -17.358 1.00 63.34 C ATOM 1009 CH2 TRP A 63 4.175 -12.351 -18.006 1.00 31.50 C ATOM 0 H TRP A 63 4.145 -7.851 -11.913 1.00 61.04 H new ATOM 0 HA TRP A 63 3.415 -10.380 -13.036 1.00 2.52 H new ATOM 0 HB2 TRP A 63 4.328 -8.453 -14.296 1.00 52.33 H new ATOM 0 HB3 TRP A 63 5.815 -8.544 -13.372 1.00 52.33 H new ATOM 0 HD1 TRP A 63 7.643 -10.146 -14.213 1.00 33.12 H new ATOM 0 HE1 TRP A 63 7.893 -11.787 -16.180 1.00 14.15 H new ATOM 0 HE3 TRP A 63 2.777 -10.195 -15.780 1.00 45.22 H new ATOM 0 HZ2 TRP A 63 6.225 -12.937 -18.107 1.00 35.11 H new ATOM 0 HZ3 TRP A 63 2.185 -11.621 -17.706 1.00 63.34 H new ATOM 0 HH2 TRP A 63 3.888 -12.963 -18.848 1.00 31.50 H new ATOM 1020 N LYS A 64 5.765 -10.253 -10.801 1.00 24.15 N ATOM 1021 CA LYS A 64 6.623 -11.046 -9.939 1.00 31.31 C ATOM 1022 C LYS A 64 5.790 -12.134 -9.276 1.00 0.25 C ATOM 1023 O LYS A 64 6.208 -13.287 -9.193 1.00 15.32 O ATOM 1024 CB LYS A 64 7.269 -10.132 -8.898 1.00 34.44 C ATOM 1025 CG LYS A 64 8.333 -10.765 -8.025 1.00 31.02 C ATOM 1026 CD LYS A 64 8.943 -9.706 -7.120 1.00 63.02 C ATOM 1027 CE LYS A 64 10.048 -10.258 -6.242 1.00 43.02 C ATOM 1028 NZ LYS A 64 9.567 -11.322 -5.349 1.00 71.20 N ATOM 0 H LYS A 64 5.693 -9.273 -10.526 1.00 24.15 H new ATOM 0 HA LYS A 64 7.415 -11.521 -10.518 1.00 31.31 H new ATOM 0 HB2 LYS A 64 7.711 -9.281 -9.416 1.00 34.44 H new ATOM 0 HB3 LYS A 64 6.484 -9.739 -8.252 1.00 34.44 H new ATOM 0 HG2 LYS A 64 7.898 -11.564 -7.425 1.00 31.02 H new ATOM 0 HG3 LYS A 64 9.106 -11.217 -8.646 1.00 31.02 H new ATOM 0 HD2 LYS A 64 9.340 -8.895 -7.731 1.00 63.02 H new ATOM 0 HD3 LYS A 64 8.163 -9.278 -6.490 1.00 63.02 H new ATOM 0 HE2 LYS A 64 10.849 -10.648 -6.870 1.00 43.02 H new ATOM 0 HE3 LYS A 64 10.474 -9.451 -5.646 1.00 43.02 H new ATOM 0 HZ1 LYS A 64 10.312 -11.564 -4.665 1.00 71.20 H new ATOM 0 HZ2 LYS A 64 8.723 -10.992 -4.839 1.00 71.20 H new ATOM 0 HZ3 LYS A 64 9.326 -12.164 -5.910 1.00 71.20 H new ATOM 1042 N ARG A 65 4.586 -11.757 -8.847 1.00 64.12 N ATOM 1043 CA ARG A 65 3.639 -12.698 -8.257 1.00 34.32 C ATOM 1044 C ARG A 65 3.219 -13.701 -9.319 1.00 30.14 C ATOM 1045 O ARG A 65 3.156 -14.897 -9.067 1.00 24.14 O ATOM 1046 CB ARG A 65 2.379 -11.966 -7.778 1.00 71.23 C ATOM 1047 CG ARG A 65 1.330 -12.869 -7.153 1.00 34.23 C ATOM 1048 CD ARG A 65 1.732 -13.377 -5.829 1.00 4.01 C ATOM 1049 NE ARG A 65 0.844 -14.461 -5.377 1.00 34.43 N ATOM 1050 CZ ARG A 65 0.724 -14.896 -4.117 1.00 34.41 C ATOM 1051 NH1 ARG A 65 1.248 -14.199 -3.116 1.00 45.24 N ATOM 1052 NH2 ARG A 65 0.044 -16.016 -3.863 1.00 32.15 N ATOM 0 H ARG A 65 4.243 -10.798 -8.899 1.00 64.12 H new ATOM 0 HA ARG A 65 4.119 -13.192 -7.412 1.00 34.32 H new ATOM 0 HB2 ARG A 65 2.668 -11.207 -7.051 1.00 71.23 H new ATOM 0 HB3 ARG A 65 1.933 -11.443 -8.624 1.00 71.23 H new ATOM 0 HG2 ARG A 65 0.394 -12.319 -7.058 1.00 34.23 H new ATOM 0 HG3 ARG A 65 1.139 -13.711 -7.818 1.00 34.23 H new ATOM 0 HD2 ARG A 65 2.759 -13.740 -5.873 1.00 4.01 H new ATOM 0 HD3 ARG A 65 1.713 -12.563 -5.104 1.00 4.01 H new ATOM 0 HE ARG A 65 0.271 -14.920 -6.085 1.00 34.43 H new ATOM 0 HH11 ARG A 65 1.744 -13.328 -3.306 1.00 45.24 H new ATOM 0 HH12 ARG A 65 1.154 -14.534 -2.157 1.00 45.24 H new ATOM 0 HH21 ARG A 65 -0.383 -16.538 -4.628 1.00 32.15 H new ATOM 0 HH22 ARG A 65 -0.049 -16.350 -2.904 1.00 32.15 H new ATOM 1066 N TYR A 66 2.934 -13.174 -10.508 1.00 2.05 N ATOM 1067 CA TYR A 66 2.482 -13.950 -11.651 1.00 64.31 C ATOM 1068 C TYR A 66 3.453 -15.094 -11.920 1.00 24.43 C ATOM 1069 O TYR A 66 3.052 -16.246 -11.936 1.00 15.32 O ATOM 1070 CB TYR A 66 2.372 -13.020 -12.865 1.00 50.31 C ATOM 1071 CG TYR A 66 1.721 -13.625 -14.080 1.00 71.14 C ATOM 1072 CD1 TYR A 66 0.348 -13.737 -14.154 1.00 34.22 C ATOM 1073 CD2 TYR A 66 2.469 -14.050 -15.164 1.00 45.23 C ATOM 1074 CE1 TYR A 66 -0.266 -14.258 -15.264 1.00 50.03 C ATOM 1075 CE2 TYR A 66 1.859 -14.575 -16.281 1.00 71.11 C ATOM 1076 CZ TYR A 66 0.491 -14.675 -16.325 1.00 2.44 C ATOM 1077 OH TYR A 66 -0.125 -15.201 -17.433 1.00 51.05 O ATOM 0 H TYR A 66 3.014 -12.176 -10.703 1.00 2.05 H new ATOM 0 HA TYR A 66 1.504 -14.385 -11.448 1.00 64.31 H new ATOM 0 HB2 TYR A 66 1.808 -12.134 -12.574 1.00 50.31 H new ATOM 0 HB3 TYR A 66 3.373 -12.685 -13.138 1.00 50.31 H new ATOM 0 HD1 TYR A 66 -0.255 -13.408 -13.321 1.00 34.22 H new ATOM 0 HD2 TYR A 66 3.546 -13.969 -15.133 1.00 45.23 H new ATOM 0 HE1 TYR A 66 -1.342 -14.339 -15.301 1.00 50.03 H new ATOM 0 HE2 TYR A 66 2.454 -14.907 -17.119 1.00 71.11 H new ATOM 0 HH TYR A 66 -1.082 -14.990 -17.406 1.00 51.05 H new ATOM 1087 N GLU A 67 4.731 -14.763 -12.072 1.00 62.02 N ATOM 1088 CA GLU A 67 5.790 -15.763 -12.299 1.00 23.12 C ATOM 1089 C GLU A 67 5.829 -16.761 -11.192 1.00 52.32 C ATOM 1090 O GLU A 67 5.854 -17.956 -11.434 1.00 43.33 O ATOM 1091 CB GLU A 67 7.144 -15.085 -12.411 1.00 40.31 C ATOM 1092 CG GLU A 67 7.212 -14.127 -13.550 1.00 64.14 C ATOM 1093 CD GLU A 67 7.045 -14.821 -14.889 1.00 73.24 C ATOM 1094 OE1 GLU A 67 5.904 -15.020 -15.340 1.00 62.14 O ATOM 1095 OE2 GLU A 67 8.071 -15.205 -15.500 1.00 32.21 O ATOM 0 H GLU A 67 5.070 -13.801 -12.043 1.00 62.02 H new ATOM 0 HA GLU A 67 5.564 -16.280 -13.232 1.00 23.12 H new ATOM 0 HB2 GLU A 67 7.359 -14.556 -11.483 1.00 40.31 H new ATOM 0 HB3 GLU A 67 7.917 -15.844 -12.532 1.00 40.31 H new ATOM 0 HG2 GLU A 67 6.435 -13.371 -13.434 1.00 64.14 H new ATOM 0 HG3 GLU A 67 8.169 -13.606 -13.529 1.00 64.14 H new ATOM 1102 N GLN A 68 5.824 -16.266 -9.986 1.00 24.13 N ATOM 1103 CA GLN A 68 5.841 -17.124 -8.802 1.00 75.40 C ATOM 1104 C GLN A 68 4.703 -18.140 -8.794 1.00 2.22 C ATOM 1105 O GLN A 68 4.929 -19.315 -8.538 1.00 63.23 O ATOM 1106 CB GLN A 68 5.855 -16.309 -7.512 1.00 3.15 C ATOM 1107 CG GLN A 68 7.163 -15.588 -7.265 1.00 31.33 C ATOM 1108 CD GLN A 68 8.319 -16.557 -7.101 1.00 74.31 C ATOM 1109 OE1 GLN A 68 8.990 -16.933 -8.074 1.00 44.11 O ATOM 1110 NE2 GLN A 68 8.560 -16.966 -5.893 1.00 35.53 N ATOM 0 H GLN A 68 5.808 -15.267 -9.781 1.00 24.13 H new ATOM 0 HA GLN A 68 6.771 -17.690 -8.853 1.00 75.40 H new ATOM 0 HB2 GLN A 68 5.047 -15.578 -7.545 1.00 3.15 H new ATOM 0 HB3 GLN A 68 5.651 -16.972 -6.671 1.00 3.15 H new ATOM 0 HG2 GLN A 68 7.369 -14.914 -8.096 1.00 31.33 H new ATOM 0 HG3 GLN A 68 7.075 -14.972 -6.370 1.00 31.33 H new ATOM 0 HE21 GLN A 68 7.986 -16.634 -5.118 1.00 35.53 H new ATOM 0 HE22 GLN A 68 9.324 -17.619 -5.719 1.00 35.53 H new ATOM 1119 N GLU A 69 3.508 -17.697 -9.100 1.00 24.45 N ATOM 1120 CA GLU A 69 2.345 -18.571 -9.122 1.00 62.05 C ATOM 1121 C GLU A 69 2.380 -19.511 -10.322 1.00 32.25 C ATOM 1122 O GLU A 69 2.120 -20.714 -10.191 1.00 32.34 O ATOM 1123 CB GLU A 69 1.073 -17.739 -9.131 1.00 72.11 C ATOM 1124 CG GLU A 69 0.914 -16.878 -7.894 1.00 43.53 C ATOM 1125 CD GLU A 69 0.731 -17.687 -6.633 1.00 44.10 C ATOM 1126 OE1 GLU A 69 1.719 -18.193 -6.081 1.00 13.02 O ATOM 1127 OE2 GLU A 69 -0.422 -17.797 -6.155 1.00 14.02 O ATOM 0 H GLU A 69 3.307 -16.726 -9.341 1.00 24.45 H new ATOM 0 HA GLU A 69 2.362 -19.186 -8.222 1.00 62.05 H new ATOM 0 HB2 GLU A 69 1.071 -17.099 -10.014 1.00 72.11 H new ATOM 0 HB3 GLU A 69 0.213 -18.403 -9.217 1.00 72.11 H new ATOM 0 HG2 GLU A 69 1.792 -16.241 -7.786 1.00 43.53 H new ATOM 0 HG3 GLU A 69 0.056 -16.219 -8.024 1.00 43.53 H new