USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=20 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 -156:sc= 1.62 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.11 USER MOD Single : A 2 THR OG1 : rot 28:sc= 0.136 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.0399 K(o=0.04,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 0.273 (180deg=0.105) USER MOD Single : A 24 THR OG1 : rot -126:sc= 1.64 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.841 USER MOD Single : A 27 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.9) USER MOD Single : A 29 MET CE :methyl -133:sc= -3.94! (180deg=-6.68!) USER MOD Single : A 32 THR OG1 : rot -86:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -74:sc= 0.347 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+ 161:sc= 1.2 (180deg=1.05) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0288 (180deg=-0.232) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.3) 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 79:sc= 0.592 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0522) USER MOD Single : A 66 TYR OH : rot 165:sc= -1.6! USER MOD Single : A 68 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.089 -2.440 -22.884 1.00 32.04 N ATOM 39 CA THR A 2 -6.230 -1.535 -21.780 1.00 41.21 C ATOM 40 C THR A 2 -7.150 -2.136 -20.720 1.00 13.25 C ATOM 41 O THR A 2 -8.323 -2.414 -20.989 1.00 52.32 O ATOM 42 CB THR A 2 -6.802 -0.186 -22.235 1.00 23.44 C ATOM 43 OG1 THR A 2 -5.989 0.335 -23.303 1.00 10.43 O ATOM 44 CG2 THR A 2 -6.797 0.806 -21.078 1.00 71.13 C ATOM 0 HA THR A 2 -5.238 -1.371 -21.359 1.00 41.21 H new ATOM 0 HB THR A 2 -7.827 -0.331 -22.577 1.00 23.44 H new ATOM 0 HG1 THR A 2 -5.574 -0.407 -23.790 1.00 10.43 H new ATOM 0 HG21 THR A 2 -7.205 1.759 -21.414 1.00 71.13 H new ATOM 0 HG22 THR A 2 -7.407 0.417 -20.263 1.00 71.13 H new ATOM 0 HG23 THR A 2 -5.775 0.952 -20.728 1.00 71.13 H new ATOM 52 N VAL A 3 -6.621 -2.345 -19.545 1.00 33.33 N ATOM 53 CA VAL A 3 -7.392 -2.895 -18.454 1.00 52.21 C ATOM 54 C VAL A 3 -7.506 -1.823 -17.365 1.00 22.34 C ATOM 55 O VAL A 3 -6.544 -1.075 -17.129 1.00 2.45 O ATOM 56 CB VAL A 3 -6.703 -4.148 -17.844 1.00 4.20 C ATOM 57 CG1 VAL A 3 -7.616 -4.875 -16.915 1.00 42.12 C ATOM 58 CG2 VAL A 3 -6.179 -5.098 -18.888 1.00 10.21 C ATOM 0 H VAL A 3 -5.649 -2.141 -19.314 1.00 33.33 H new ATOM 0 HA VAL A 3 -8.370 -3.192 -18.831 1.00 52.21 H new ATOM 0 HB VAL A 3 -5.848 -3.770 -17.284 1.00 4.20 H new ATOM 0 HG11 VAL A 3 -7.102 -5.745 -16.507 1.00 42.12 H new ATOM 0 HG12 VAL A 3 -7.910 -4.212 -16.101 1.00 42.12 H new ATOM 0 HG13 VAL A 3 -8.504 -5.199 -17.457 1.00 42.12 H new ATOM 0 HG21 VAL A 3 -5.709 -5.952 -18.400 1.00 10.21 H new ATOM 0 HG22 VAL A 3 -7.003 -5.444 -19.511 1.00 10.21 H new ATOM 0 HG23 VAL A 3 -5.444 -4.586 -19.510 1.00 10.21 H new ATOM 68 N TYR A 4 -8.663 -1.712 -16.738 1.00 51.14 N ATOM 69 CA TYR A 4 -8.858 -0.744 -15.682 1.00 70.40 C ATOM 70 C TYR A 4 -8.815 -1.423 -14.324 1.00 14.32 C ATOM 71 O TYR A 4 -9.431 -2.479 -14.122 1.00 61.41 O ATOM 72 CB TYR A 4 -10.185 -0.015 -15.864 1.00 13.01 C ATOM 73 CG TYR A 4 -10.292 0.738 -17.172 1.00 1.54 C ATOM 74 CD1 TYR A 4 -10.629 0.079 -18.344 1.00 71.15 C ATOM 75 CD2 TYR A 4 -10.065 2.101 -17.234 1.00 53.01 C ATOM 76 CE1 TYR A 4 -10.733 0.750 -19.531 1.00 12.23 C ATOM 77 CE2 TYR A 4 -10.170 2.784 -18.426 1.00 40.24 C ATOM 78 CZ TYR A 4 -10.504 2.096 -19.573 1.00 72.52 C ATOM 79 OH TYR A 4 -10.620 2.764 -20.768 1.00 62.34 O ATOM 0 H TYR A 4 -9.482 -2.284 -16.945 1.00 51.14 H new ATOM 0 HA TYR A 4 -8.050 -0.014 -15.733 1.00 70.40 H new ATOM 0 HB2 TYR A 4 -10.998 -0.739 -15.804 1.00 13.01 H new ATOM 0 HB3 TYR A 4 -10.320 0.685 -15.040 1.00 13.01 H new ATOM 0 HD1 TYR A 4 -10.813 -0.985 -18.319 1.00 71.15 H new ATOM 0 HD2 TYR A 4 -9.802 2.638 -16.335 1.00 53.01 H new ATOM 0 HE1 TYR A 4 -10.996 0.217 -20.433 1.00 12.23 H new ATOM 0 HE2 TYR A 4 -9.992 3.849 -18.461 1.00 40.24 H new ATOM 0 HH TYR A 4 -10.427 3.715 -20.631 1.00 62.34 H new ATOM 89 N ILE A 5 -8.080 -0.836 -13.411 1.00 55.14 N ATOM 90 CA ILE A 5 -7.933 -1.362 -12.070 1.00 45.53 C ATOM 91 C ILE A 5 -8.507 -0.355 -11.086 1.00 70.03 C ATOM 92 O ILE A 5 -8.035 0.757 -11.005 1.00 60.42 O ATOM 93 CB ILE A 5 -6.426 -1.551 -11.624 1.00 63.02 C ATOM 94 CG1 ILE A 5 -5.566 -2.479 -12.505 1.00 22.33 C ATOM 95 CG2 ILE A 5 -6.359 -2.063 -10.188 1.00 71.51 C ATOM 96 CD1 ILE A 5 -5.395 -2.101 -13.967 1.00 44.10 C ATOM 0 H ILE A 5 -7.562 0.027 -13.576 1.00 55.14 H new ATOM 0 HA ILE A 5 -8.437 -2.328 -12.073 1.00 45.53 H new ATOM 0 HB ILE A 5 -5.999 -0.554 -11.731 1.00 63.02 H new ATOM 0 HG12 ILE A 5 -4.575 -2.544 -12.057 1.00 22.33 H new ATOM 0 HG13 ILE A 5 -6.000 -3.478 -12.465 1.00 22.33 H new ATOM 0 HG21 ILE A 5 -5.317 -2.188 -9.895 1.00 71.51 H new ATOM 0 HG22 ILE A 5 -6.839 -1.345 -9.523 1.00 71.51 H new ATOM 0 HG23 ILE A 5 -6.873 -3.022 -10.119 1.00 71.51 H new ATOM 0 HD11 ILE A 5 -4.768 -2.842 -14.463 1.00 44.10 H new ATOM 0 HD12 ILE A 5 -6.371 -2.069 -14.451 1.00 44.10 H new ATOM 0 HD13 ILE A 5 -4.923 -1.121 -14.037 1.00 44.10 H new ATOM 108 N CYS A 6 -9.501 -0.722 -10.373 1.00 51.01 N ATOM 109 CA CYS A 6 -9.967 0.076 -9.287 1.00 2.45 C ATOM 110 C CYS A 6 -9.976 -0.800 -8.062 1.00 64.34 C ATOM 111 O CYS A 6 -10.888 -1.608 -7.884 1.00 60.05 O ATOM 112 CB CYS A 6 -11.346 0.702 -9.538 1.00 32.23 C ATOM 113 SG CYS A 6 -11.939 1.752 -8.185 1.00 62.22 S ATOM 0 H CYS A 6 -10.023 -1.586 -10.519 1.00 51.01 H new ATOM 0 HA CYS A 6 -9.298 0.926 -9.158 1.00 2.45 H new ATOM 0 HB2 CYS A 6 -11.303 1.295 -10.452 1.00 32.23 H new ATOM 0 HB3 CYS A 6 -12.069 -0.095 -9.709 1.00 32.23 H new ATOM 0 HG CYS A 6 -13.236 1.823 -8.228 1.00 62.22 H new ATOM 119 N PRO A 7 -8.940 -0.699 -7.216 1.00 72.14 N ATOM 120 CA PRO A 7 -8.811 -1.546 -6.015 1.00 12.14 C ATOM 121 C PRO A 7 -9.946 -1.340 -5.005 1.00 51.51 C ATOM 122 O PRO A 7 -10.110 -2.134 -4.077 1.00 41.21 O ATOM 123 CB PRO A 7 -7.463 -1.119 -5.408 1.00 60.24 C ATOM 124 CG PRO A 7 -7.179 0.227 -5.989 1.00 34.21 C ATOM 125 CD PRO A 7 -7.795 0.234 -7.357 1.00 2.15 C ATOM 0 HA PRO A 7 -8.863 -2.604 -6.272 1.00 12.14 H new ATOM 0 HB2 PRO A 7 -7.518 -1.074 -4.320 1.00 60.24 H new ATOM 0 HB3 PRO A 7 -6.676 -1.830 -5.659 1.00 60.24 H new ATOM 0 HG2 PRO A 7 -7.603 1.016 -5.368 1.00 34.21 H new ATOM 0 HG3 PRO A 7 -6.106 0.408 -6.045 1.00 34.21 H new ATOM 0 HD2 PRO A 7 -8.122 1.233 -7.647 1.00 2.15 H new ATOM 0 HD3 PRO A 7 -7.091 -0.104 -8.118 1.00 2.15 H new ATOM 133 N GLU A 8 -10.742 -0.305 -5.219 1.00 54.23 N ATOM 134 CA GLU A 8 -11.809 0.043 -4.311 1.00 1.51 C ATOM 135 C GLU A 8 -13.134 -0.586 -4.759 1.00 55.13 C ATOM 136 O GLU A 8 -13.620 -1.555 -4.170 1.00 25.12 O ATOM 137 CB GLU A 8 -11.985 1.559 -4.281 1.00 73.22 C ATOM 138 CG GLU A 8 -10.697 2.338 -4.160 1.00 35.21 C ATOM 139 CD GLU A 8 -9.901 2.023 -2.915 1.00 61.32 C ATOM 140 OE1 GLU A 8 -10.206 2.581 -1.845 1.00 30.34 O ATOM 141 OE2 GLU A 8 -8.926 1.271 -3.004 1.00 45.41 O ATOM 0 H GLU A 8 -10.662 0.313 -6.027 1.00 54.23 H new ATOM 0 HA GLU A 8 -11.546 -0.332 -3.322 1.00 1.51 H new ATOM 0 HB2 GLU A 8 -12.499 1.870 -5.191 1.00 73.22 H new ATOM 0 HB3 GLU A 8 -12.633 1.820 -3.444 1.00 73.22 H new ATOM 0 HG2 GLU A 8 -10.079 2.136 -5.035 1.00 35.21 H new ATOM 0 HG3 GLU A 8 -10.927 3.403 -4.172 1.00 35.21 H new ATOM 148 N THR A 9 -13.683 -0.047 -5.831 1.00 21.03 N ATOM 149 CA THR A 9 -14.997 -0.422 -6.313 1.00 23.44 C ATOM 150 C THR A 9 -14.963 -1.526 -7.369 1.00 51.44 C ATOM 151 O THR A 9 -16.015 -2.000 -7.829 1.00 25.43 O ATOM 152 CB THR A 9 -15.725 0.819 -6.851 1.00 51.35 C ATOM 153 OG1 THR A 9 -14.873 1.491 -7.802 1.00 74.12 O ATOM 154 CG2 THR A 9 -16.062 1.770 -5.714 1.00 43.41 C ATOM 0 H THR A 9 -13.225 0.669 -6.396 1.00 21.03 H new ATOM 0 HA THR A 9 -15.542 -0.834 -5.464 1.00 23.44 H new ATOM 0 HB THR A 9 -16.651 0.507 -7.334 1.00 51.35 H new ATOM 0 HG1 THR A 9 -15.333 2.283 -8.150 1.00 74.12 H new ATOM 0 HG21 THR A 9 -16.577 2.644 -6.112 1.00 43.41 H new ATOM 0 HG22 THR A 9 -16.707 1.264 -4.996 1.00 43.41 H new ATOM 0 HG23 THR A 9 -15.144 2.085 -5.218 1.00 43.41 H new ATOM 162 N GLY A 10 -13.779 -1.944 -7.753 1.00 63.13 N ATOM 163 CA GLY A 10 -13.697 -3.030 -8.697 1.00 45.31 C ATOM 164 C GLY A 10 -13.400 -4.327 -7.996 1.00 63.43 C ATOM 165 O GLY A 10 -13.346 -4.368 -6.758 1.00 2.20 O ATOM 0 H GLY A 10 -12.887 -1.563 -7.438 1.00 63.13 H new ATOM 0 HA2 GLY A 10 -14.636 -3.114 -9.244 1.00 45.31 H new ATOM 0 HA3 GLY A 10 -12.918 -2.822 -9.431 1.00 45.31 H new ATOM 169 N ASP A 11 -13.171 -5.361 -8.753 1.00 11.31 N ATOM 170 CA ASP A 11 -12.994 -6.698 -8.216 1.00 13.42 C ATOM 171 C ASP A 11 -12.083 -7.496 -9.128 1.00 31.01 C ATOM 172 O ASP A 11 -12.049 -7.271 -10.335 1.00 43.35 O ATOM 173 CB ASP A 11 -14.348 -7.409 -8.056 1.00 61.02 C ATOM 174 CG ASP A 11 -14.215 -8.794 -7.463 1.00 3.12 C ATOM 175 OD1 ASP A 11 -14.252 -8.931 -6.224 1.00 32.03 O ATOM 176 OD2 ASP A 11 -14.058 -9.766 -8.223 1.00 42.50 O ATOM 0 H ASP A 11 -13.100 -5.310 -9.769 1.00 11.31 H new ATOM 0 HA ASP A 11 -12.537 -6.621 -7.229 1.00 13.42 H new ATOM 0 HB2 ASP A 11 -14.997 -6.807 -7.420 1.00 61.02 H new ATOM 0 HB3 ASP A 11 -14.833 -7.480 -9.029 1.00 61.02 H new ATOM 181 N ASP A 12 -11.340 -8.398 -8.535 1.00 41.55 N ATOM 182 CA ASP A 12 -10.336 -9.225 -9.220 1.00 3.23 C ATOM 183 C ASP A 12 -10.952 -10.138 -10.287 1.00 61.50 C ATOM 184 O ASP A 12 -10.336 -10.411 -11.298 1.00 14.14 O ATOM 185 CB ASP A 12 -9.595 -10.074 -8.184 1.00 75.05 C ATOM 186 CG ASP A 12 -8.386 -10.784 -8.732 1.00 62.41 C ATOM 187 OD1 ASP A 12 -8.510 -11.930 -9.206 1.00 34.23 O ATOM 188 OD2 ASP A 12 -7.282 -10.210 -8.652 1.00 24.33 O ATOM 0 H ASP A 12 -11.407 -8.594 -7.536 1.00 41.55 H new ATOM 0 HA ASP A 12 -9.648 -8.552 -9.732 1.00 3.23 H new ATOM 0 HB2 ASP A 12 -9.285 -9.434 -7.358 1.00 75.05 H new ATOM 0 HB3 ASP A 12 -10.284 -10.813 -7.774 1.00 75.05 H new ATOM 193 N GLY A 13 -12.177 -10.566 -10.075 1.00 31.41 N ATOM 194 CA GLY A 13 -12.785 -11.507 -10.991 1.00 63.32 C ATOM 195 C GLY A 13 -13.601 -10.857 -12.091 1.00 23.23 C ATOM 196 O GLY A 13 -14.431 -11.519 -12.724 1.00 13.34 O ATOM 0 H GLY A 13 -12.764 -10.284 -9.290 1.00 31.41 H new ATOM 0 HA2 GLY A 13 -12.002 -12.115 -11.444 1.00 63.32 H new ATOM 0 HA3 GLY A 13 -13.427 -12.184 -10.427 1.00 63.32 H new ATOM 200 N ASN A 14 -13.381 -9.577 -12.325 1.00 60.42 N ATOM 201 CA ASN A 14 -14.103 -8.856 -13.373 1.00 43.54 C ATOM 202 C ASN A 14 -13.397 -8.943 -14.716 1.00 53.33 C ATOM 203 O ASN A 14 -12.343 -9.561 -14.839 1.00 63.20 O ATOM 204 CB ASN A 14 -14.307 -7.386 -13.008 1.00 53.34 C ATOM 205 CG ASN A 14 -15.244 -7.175 -11.843 1.00 54.35 C ATOM 206 OD1 ASN A 14 -16.145 -7.968 -11.598 1.00 12.31 O ATOM 207 ND2 ASN A 14 -15.057 -6.098 -11.134 1.00 3.33 N ATOM 0 H ASN A 14 -12.710 -9.010 -11.807 1.00 60.42 H new ATOM 0 HA ASN A 14 -15.075 -9.341 -13.457 1.00 43.54 H new ATOM 0 HB2 ASN A 14 -13.340 -6.942 -12.770 1.00 53.34 H new ATOM 0 HB3 ASN A 14 -14.696 -6.856 -13.877 1.00 53.34 H new ATOM 0 HD21 ASN A 14 -15.671 -5.893 -10.346 1.00 3.33 H new ATOM 0 HD22 ASN A 14 -14.296 -5.460 -11.367 1.00 3.33 H new ATOM 214 N ASP A 15 -13.983 -8.298 -15.720 1.00 30.13 N ATOM 215 CA ASP A 15 -13.428 -8.274 -17.084 1.00 64.21 C ATOM 216 C ASP A 15 -12.359 -7.212 -17.218 1.00 53.20 C ATOM 217 O ASP A 15 -11.659 -7.133 -18.242 1.00 72.12 O ATOM 218 CB ASP A 15 -14.530 -8.009 -18.127 1.00 21.01 C ATOM 219 CG ASP A 15 -15.570 -9.092 -18.189 1.00 35.12 C ATOM 220 OD1 ASP A 15 -15.300 -10.148 -18.785 1.00 43.43 O ATOM 221 OD2 ASP A 15 -16.674 -8.913 -17.625 1.00 64.12 O ATOM 0 H ASP A 15 -14.854 -7.776 -15.619 1.00 30.13 H new ATOM 0 HA ASP A 15 -12.987 -9.254 -17.267 1.00 64.21 H new ATOM 0 HB2 ASP A 15 -15.017 -7.061 -17.897 1.00 21.01 H new ATOM 0 HB3 ASP A 15 -14.071 -7.901 -19.110 1.00 21.01 H new ATOM 226 N GLY A 16 -12.241 -6.389 -16.197 1.00 55.51 N ATOM 227 CA GLY A 16 -11.279 -5.318 -16.194 1.00 24.15 C ATOM 228 C GLY A 16 -11.627 -4.180 -17.121 1.00 32.32 C ATOM 229 O GLY A 16 -10.745 -3.466 -17.603 1.00 60.40 O ATOM 0 H GLY A 16 -12.809 -6.447 -15.352 1.00 55.51 H new ATOM 0 HA2 GLY A 16 -11.184 -4.931 -15.179 1.00 24.15 H new ATOM 0 HA3 GLY A 16 -10.305 -5.717 -16.475 1.00 24.15 H new ATOM 233 N SER A 17 -12.891 -4.011 -17.373 1.00 32.10 N ATOM 234 CA SER A 17 -13.363 -2.933 -18.193 1.00 50.13 C ATOM 235 C SER A 17 -13.528 -1.706 -17.300 1.00 5.32 C ATOM 236 O SER A 17 -13.312 -1.802 -16.102 1.00 65.13 O ATOM 237 CB SER A 17 -14.679 -3.346 -18.827 1.00 41.43 C ATOM 238 OG SER A 17 -14.512 -4.576 -19.523 1.00 44.04 O ATOM 0 H SER A 17 -13.627 -4.619 -17.015 1.00 32.10 H new ATOM 0 HA SER A 17 -12.663 -2.695 -18.994 1.00 50.13 H new ATOM 0 HB2 SER A 17 -15.446 -3.453 -18.060 1.00 41.43 H new ATOM 0 HB3 SER A 17 -15.021 -2.572 -19.514 1.00 41.43 H new ATOM 0 HG SER A 17 -15.364 -4.840 -19.929 1.00 44.04 H new ATOM 244 N GLU A 18 -13.900 -0.563 -17.847 1.00 1.01 N ATOM 245 CA GLU A 18 -14.024 0.614 -17.017 1.00 31.02 C ATOM 246 C GLU A 18 -15.245 0.470 -16.078 1.00 23.22 C ATOM 247 O GLU A 18 -15.260 0.989 -14.963 1.00 4.34 O ATOM 248 CB GLU A 18 -14.133 1.871 -17.875 1.00 13.42 C ATOM 249 CG GLU A 18 -14.021 3.150 -17.088 1.00 10.52 C ATOM 250 CD GLU A 18 -14.122 4.382 -17.945 1.00 42.25 C ATOM 251 OE1 GLU A 18 -13.102 4.818 -18.517 1.00 14.43 O ATOM 252 OE2 GLU A 18 -15.224 4.934 -18.067 1.00 62.43 O ATOM 0 H GLU A 18 -14.116 -0.428 -18.835 1.00 1.01 H new ATOM 0 HA GLU A 18 -13.128 0.711 -16.404 1.00 31.02 H new ATOM 0 HB2 GLU A 18 -13.351 1.852 -18.634 1.00 13.42 H new ATOM 0 HB3 GLU A 18 -15.088 1.860 -18.401 1.00 13.42 H new ATOM 0 HG2 GLU A 18 -14.807 3.175 -16.333 1.00 10.52 H new ATOM 0 HG3 GLU A 18 -13.069 3.161 -16.558 1.00 10.52 H new ATOM 259 N LEU A 19 -16.259 -0.257 -16.551 1.00 74.15 N ATOM 260 CA LEU A 19 -17.460 -0.515 -15.775 1.00 43.12 C ATOM 261 C LEU A 19 -17.224 -1.612 -14.739 1.00 45.54 C ATOM 262 O LEU A 19 -17.899 -1.665 -13.710 1.00 32.33 O ATOM 263 CB LEU A 19 -18.639 -0.898 -16.677 1.00 43.13 C ATOM 264 CG LEU A 19 -19.155 0.159 -17.668 1.00 54.12 C ATOM 265 CD1 LEU A 19 -19.522 1.459 -16.973 1.00 73.43 C ATOM 266 CD2 LEU A 19 -18.204 0.389 -18.832 1.00 35.10 C ATOM 0 H LEU A 19 -16.265 -0.679 -17.479 1.00 74.15 H new ATOM 0 HA LEU A 19 -17.708 0.410 -15.255 1.00 43.12 H new ATOM 0 HB2 LEU A 19 -18.351 -1.781 -17.248 1.00 43.13 H new ATOM 0 HB3 LEU A 19 -19.470 -1.190 -16.036 1.00 43.13 H new ATOM 0 HG LEU A 19 -20.071 -0.248 -18.096 1.00 54.12 H new ATOM 0 HD11 LEU A 19 -19.881 2.177 -17.710 1.00 73.43 H new ATOM 0 HD12 LEU A 19 -20.305 1.270 -16.238 1.00 73.43 H new ATOM 0 HD13 LEU A 19 -18.643 1.864 -16.471 1.00 73.43 H new ATOM 0 HD21 LEU A 19 -18.620 1.145 -19.498 1.00 35.10 H new ATOM 0 HD22 LEU A 19 -17.241 0.730 -18.453 1.00 35.10 H new ATOM 0 HD23 LEU A 19 -18.068 -0.543 -19.381 1.00 35.10 H new ATOM 278 N LYS A 20 -16.262 -2.484 -15.014 1.00 74.30 N ATOM 279 CA LYS A 20 -15.909 -3.574 -14.098 1.00 0.53 C ATOM 280 C LYS A 20 -14.423 -3.587 -13.939 1.00 42.24 C ATOM 281 O LYS A 20 -13.740 -4.409 -14.566 1.00 4.12 O ATOM 282 CB LYS A 20 -16.298 -4.952 -14.636 1.00 61.35 C ATOM 283 CG LYS A 20 -17.722 -5.116 -15.129 1.00 71.45 C ATOM 284 CD LYS A 20 -17.945 -6.548 -15.589 1.00 12.33 C ATOM 285 CE LYS A 20 -19.322 -6.756 -16.190 1.00 53.01 C ATOM 286 NZ LYS A 20 -19.534 -8.170 -16.574 1.00 60.10 N ATOM 0 H LYS A 20 -15.706 -2.461 -15.869 1.00 74.30 H new ATOM 0 HA LYS A 20 -16.444 -3.395 -13.165 1.00 0.53 H new ATOM 0 HB2 LYS A 20 -15.624 -5.199 -15.456 1.00 61.35 H new ATOM 0 HB3 LYS A 20 -16.124 -5.686 -13.849 1.00 61.35 H new ATOM 0 HG2 LYS A 20 -18.423 -4.867 -14.333 1.00 71.45 H new ATOM 0 HG3 LYS A 20 -17.914 -4.426 -15.951 1.00 71.45 H new ATOM 0 HD2 LYS A 20 -17.187 -6.812 -16.326 1.00 12.33 H new ATOM 0 HD3 LYS A 20 -17.816 -7.223 -14.743 1.00 12.33 H new ATOM 0 HE2 LYS A 20 -20.084 -6.454 -15.471 1.00 53.01 H new ATOM 0 HE3 LYS A 20 -19.439 -6.118 -17.066 1.00 53.01 H new ATOM 0 HZ1 LYS A 20 -20.272 -8.224 -17.305 1.00 60.10 H new ATOM 0 HZ2 LYS A 20 -18.647 -8.565 -16.947 1.00 60.10 H new ATOM 0 HZ3 LYS A 20 -19.832 -8.715 -15.740 1.00 60.10 H new ATOM 300 N PRO A 21 -13.877 -2.674 -13.176 1.00 32.53 N ATOM 301 CA PRO A 21 -12.460 -2.615 -12.988 1.00 12.42 C ATOM 302 C PRO A 21 -11.971 -3.769 -12.125 1.00 71.51 C ATOM 303 O PRO A 21 -12.744 -4.366 -11.351 1.00 72.54 O ATOM 304 CB PRO A 21 -12.232 -1.272 -12.304 1.00 71.20 C ATOM 305 CG PRO A 21 -13.535 -0.918 -11.666 1.00 2.13 C ATOM 306 CD PRO A 21 -14.600 -1.613 -12.442 1.00 72.34 C ATOM 0 HA PRO A 21 -11.910 -2.701 -13.925 1.00 12.42 H new ATOM 0 HB2 PRO A 21 -11.438 -1.341 -11.561 1.00 71.20 H new ATOM 0 HB3 PRO A 21 -11.929 -0.512 -13.024 1.00 71.20 H new ATOM 0 HG2 PRO A 21 -13.551 -1.231 -10.622 1.00 2.13 H new ATOM 0 HG3 PRO A 21 -13.690 0.161 -11.678 1.00 2.13 H new ATOM 0 HD2 PRO A 21 -15.363 -2.031 -11.786 1.00 72.34 H new ATOM 0 HD3 PRO A 21 -15.106 -0.930 -13.124 1.00 72.34 H new ATOM 314 N LEU A 22 -10.728 -4.103 -12.275 1.00 71.54 N ATOM 315 CA LEU A 22 -10.123 -5.142 -11.492 1.00 33.21 C ATOM 316 C LEU A 22 -9.662 -4.560 -10.202 1.00 2.23 C ATOM 317 O LEU A 22 -9.554 -3.360 -10.081 1.00 24.23 O ATOM 318 CB LEU A 22 -8.956 -5.756 -12.233 1.00 51.33 C ATOM 319 CG LEU A 22 -9.301 -6.417 -13.549 1.00 4.11 C ATOM 320 CD1 LEU A 22 -8.065 -6.912 -14.219 1.00 15.45 C ATOM 321 CD2 LEU A 22 -10.283 -7.552 -13.342 1.00 70.11 C ATOM 0 H LEU A 22 -10.099 -3.663 -12.946 1.00 71.54 H new ATOM 0 HA LEU A 22 -10.854 -5.928 -11.305 1.00 33.21 H new ATOM 0 HB2 LEU A 22 -8.215 -4.978 -12.419 1.00 51.33 H new ATOM 0 HB3 LEU A 22 -8.485 -6.496 -11.586 1.00 51.33 H new ATOM 0 HG LEU A 22 -9.773 -5.674 -14.192 1.00 4.11 H new ATOM 0 HD11 LEU A 22 -8.329 -7.385 -15.165 1.00 15.45 H new ATOM 0 HD12 LEU A 22 -7.393 -6.075 -14.407 1.00 15.45 H new ATOM 0 HD13 LEU A 22 -7.568 -7.638 -13.576 1.00 15.45 H new ATOM 0 HD21 LEU A 22 -10.516 -8.012 -14.303 1.00 70.11 H new ATOM 0 HD22 LEU A 22 -9.843 -8.298 -12.680 1.00 70.11 H new ATOM 0 HD23 LEU A 22 -11.198 -7.164 -12.894 1.00 70.11 H new ATOM 333 N ARG A 23 -9.399 -5.378 -9.243 1.00 74.52 N ATOM 334 CA ARG A 23 -8.972 -4.861 -7.974 1.00 35.02 C ATOM 335 C ARG A 23 -7.475 -5.065 -7.800 1.00 42.22 C ATOM 336 O ARG A 23 -6.885 -4.660 -6.806 1.00 13.42 O ATOM 337 CB ARG A 23 -9.823 -5.463 -6.852 1.00 5.41 C ATOM 338 CG ARG A 23 -9.625 -6.921 -6.561 1.00 63.43 C ATOM 339 CD ARG A 23 -8.519 -7.191 -5.563 1.00 60.42 C ATOM 340 NE ARG A 23 -8.332 -8.639 -5.354 1.00 3.13 N ATOM 341 CZ ARG A 23 -8.600 -9.290 -4.208 1.00 61.34 C ATOM 342 NH1 ARG A 23 -9.162 -8.648 -3.187 1.00 41.30 N ATOM 343 NH2 ARG A 23 -8.335 -10.579 -4.103 1.00 73.02 N ATOM 0 H ARG A 23 -9.468 -6.394 -9.303 1.00 74.52 H new ATOM 0 HA ARG A 23 -9.131 -3.784 -7.929 1.00 35.02 H new ATOM 0 HB2 ARG A 23 -9.624 -4.904 -5.938 1.00 5.41 H new ATOM 0 HB3 ARG A 23 -10.873 -5.306 -7.100 1.00 5.41 H new ATOM 0 HG2 ARG A 23 -10.557 -7.338 -6.180 1.00 63.43 H new ATOM 0 HG3 ARG A 23 -9.400 -7.442 -7.491 1.00 63.43 H new ATOM 0 HD2 ARG A 23 -7.588 -6.749 -5.919 1.00 60.42 H new ATOM 0 HD3 ARG A 23 -8.757 -6.711 -4.614 1.00 60.42 H new ATOM 0 HE ARG A 23 -7.973 -9.187 -6.136 1.00 3.13 H new ATOM 0 HH11 ARG A 23 -9.392 -7.658 -3.271 1.00 41.30 H new ATOM 0 HH12 ARG A 23 -9.363 -9.146 -2.320 1.00 41.30 H new ATOM 0 HH21 ARG A 23 -7.927 -11.082 -4.891 1.00 73.02 H new ATOM 0 HH22 ARG A 23 -8.538 -11.072 -3.234 1.00 73.02 H new ATOM 357 N THR A 24 -6.873 -5.686 -8.796 1.00 21.24 N ATOM 358 CA THR A 24 -5.459 -5.931 -8.816 1.00 41.42 C ATOM 359 C THR A 24 -4.890 -5.543 -10.166 1.00 11.22 C ATOM 360 O THR A 24 -5.573 -5.646 -11.197 1.00 74.52 O ATOM 361 CB THR A 24 -5.125 -7.430 -8.597 1.00 24.13 C ATOM 362 OG1 THR A 24 -5.830 -8.220 -9.556 1.00 54.30 O ATOM 363 CG2 THR A 24 -5.447 -7.900 -7.200 1.00 71.41 C ATOM 0 H THR A 24 -7.364 -6.035 -9.619 1.00 21.24 H new ATOM 0 HA THR A 24 -5.026 -5.339 -8.009 1.00 41.42 H new ATOM 0 HB THR A 24 -4.050 -7.549 -8.729 1.00 24.13 H new ATOM 0 HG1 THR A 24 -6.342 -8.916 -9.094 1.00 54.30 H new ATOM 0 HG21 THR A 24 -5.193 -8.956 -7.104 1.00 71.41 H new ATOM 0 HG22 THR A 24 -4.870 -7.321 -6.479 1.00 71.41 H new ATOM 0 HG23 THR A 24 -6.511 -7.764 -7.006 1.00 71.41 H new ATOM 371 N LEU A 25 -3.665 -5.086 -10.160 1.00 1.24 N ATOM 372 CA LEU A 25 -2.936 -4.849 -11.384 1.00 61.02 C ATOM 373 C LEU A 25 -2.446 -6.196 -11.896 1.00 0.54 C ATOM 374 O LEU A 25 -2.246 -6.408 -13.095 1.00 33.20 O ATOM 375 CB LEU A 25 -1.775 -3.895 -11.112 1.00 64.43 C ATOM 376 CG LEU A 25 -0.822 -3.599 -12.272 1.00 42.51 C ATOM 377 CD1 LEU A 25 -1.572 -3.085 -13.493 1.00 25.01 C ATOM 378 CD2 LEU A 25 0.206 -2.588 -11.821 1.00 53.01 C ATOM 0 H LEU A 25 -3.144 -4.867 -9.311 1.00 1.24 H new ATOM 0 HA LEU A 25 -3.569 -4.384 -12.140 1.00 61.02 H new ATOM 0 HB2 LEU A 25 -2.190 -2.948 -10.767 1.00 64.43 H new ATOM 0 HB3 LEU A 25 -1.188 -4.304 -10.290 1.00 64.43 H new ATOM 0 HG LEU A 25 -0.326 -4.526 -12.562 1.00 42.51 H new ATOM 0 HD11 LEU A 25 -0.864 -2.885 -14.297 1.00 25.01 H new ATOM 0 HD12 LEU A 25 -2.291 -3.836 -13.821 1.00 25.01 H new ATOM 0 HD13 LEU A 25 -2.098 -2.166 -13.236 1.00 25.01 H new ATOM 0 HD21 LEU A 25 0.889 -2.372 -12.643 1.00 53.01 H new ATOM 0 HD22 LEU A 25 -0.296 -1.670 -11.516 1.00 53.01 H new ATOM 0 HD23 LEU A 25 0.768 -2.992 -10.979 1.00 53.01 H new ATOM 390 N TYR A 26 -2.296 -7.103 -10.959 1.00 14.53 N ATOM 391 CA TYR A 26 -1.910 -8.458 -11.216 1.00 14.01 C ATOM 392 C TYR A 26 -2.911 -9.179 -12.158 1.00 61.20 C ATOM 393 O TYR A 26 -2.492 -9.827 -13.110 1.00 31.22 O ATOM 394 CB TYR A 26 -1.719 -9.178 -9.868 1.00 23.23 C ATOM 395 CG TYR A 26 -1.445 -10.649 -9.943 1.00 4.42 C ATOM 396 CD1 TYR A 26 -0.465 -11.166 -10.773 1.00 34.12 C ATOM 397 CD2 TYR A 26 -2.166 -11.521 -9.162 1.00 14.10 C ATOM 398 CE1 TYR A 26 -0.228 -12.521 -10.821 1.00 51.41 C ATOM 399 CE2 TYR A 26 -1.938 -12.869 -9.197 1.00 64.53 C ATOM 400 CZ TYR A 26 -0.970 -13.367 -10.028 1.00 14.34 C ATOM 401 OH TYR A 26 -0.744 -14.715 -10.069 1.00 43.21 O ATOM 0 H TYR A 26 -2.445 -6.906 -9.969 1.00 14.53 H new ATOM 0 HA TYR A 26 -0.962 -8.475 -11.753 1.00 14.01 H new ATOM 0 HB2 TYR A 26 -0.895 -8.701 -9.338 1.00 23.23 H new ATOM 0 HB3 TYR A 26 -2.615 -9.026 -9.267 1.00 23.23 H new ATOM 0 HD1 TYR A 26 0.120 -10.499 -11.389 1.00 34.12 H new ATOM 0 HD2 TYR A 26 -2.930 -11.132 -8.505 1.00 14.10 H new ATOM 0 HE1 TYR A 26 0.534 -12.917 -11.476 1.00 51.41 H new ATOM 0 HE2 TYR A 26 -2.517 -13.535 -8.574 1.00 64.53 H new ATOM 0 HH TYR A 26 0.196 -14.883 -10.288 1.00 43.21 H new ATOM 411 N GLN A 27 -4.222 -9.033 -11.918 1.00 11.32 N ATOM 412 CA GLN A 27 -5.224 -9.668 -12.797 1.00 64.40 C ATOM 413 C GLN A 27 -5.194 -9.045 -14.195 1.00 12.22 C ATOM 414 O GLN A 27 -5.406 -9.733 -15.185 1.00 43.12 O ATOM 415 CB GLN A 27 -6.637 -9.620 -12.174 1.00 24.40 C ATOM 416 CG GLN A 27 -7.767 -10.231 -13.031 1.00 74.21 C ATOM 417 CD GLN A 27 -7.534 -11.688 -13.405 1.00 52.13 C ATOM 418 OE1 GLN A 27 -6.882 -12.435 -12.686 1.00 70.44 O ATOM 419 NE2 GLN A 27 -8.099 -12.103 -14.509 1.00 65.15 N ATOM 0 H GLN A 27 -4.610 -8.495 -11.143 1.00 11.32 H new ATOM 0 HA GLN A 27 -4.962 -10.721 -12.901 1.00 64.40 H new ATOM 0 HB2 GLN A 27 -6.610 -10.140 -11.217 1.00 24.40 H new ATOM 0 HB3 GLN A 27 -6.887 -8.580 -11.964 1.00 24.40 H new ATOM 0 HG2 GLN A 27 -8.708 -10.151 -12.486 1.00 74.21 H new ATOM 0 HG3 GLN A 27 -7.877 -9.644 -13.943 1.00 74.21 H new ATOM 0 HE21 GLN A 27 -8.635 -11.452 -15.083 1.00 65.15 H new ATOM 0 HE22 GLN A 27 -8.004 -13.077 -14.796 1.00 65.15 H new ATOM 428 N ALA A 28 -4.898 -7.747 -14.269 1.00 40.30 N ATOM 429 CA ALA A 28 -4.764 -7.054 -15.532 1.00 30.14 C ATOM 430 C ALA A 28 -3.670 -7.721 -16.367 1.00 41.21 C ATOM 431 O ALA A 28 -3.810 -7.912 -17.582 1.00 51.44 O ATOM 432 CB ALA A 28 -4.460 -5.580 -15.281 1.00 74.14 C ATOM 0 H ALA A 28 -4.746 -7.156 -13.452 1.00 40.30 H new ATOM 0 HA ALA A 28 -5.698 -7.112 -16.091 1.00 30.14 H new ATOM 0 HB1 ALA A 28 -4.360 -5.062 -16.235 1.00 74.14 H new ATOM 0 HB2 ALA A 28 -5.273 -5.133 -14.709 1.00 74.14 H new ATOM 0 HB3 ALA A 28 -3.530 -5.491 -14.720 1.00 74.14 H new ATOM 438 N MET A 29 -2.601 -8.103 -15.699 1.00 70.13 N ATOM 439 CA MET A 29 -1.523 -8.824 -16.313 1.00 31.11 C ATOM 440 C MET A 29 -1.914 -10.252 -16.653 1.00 25.31 C ATOM 441 O MET A 29 -1.453 -10.790 -17.629 1.00 34.31 O ATOM 442 CB MET A 29 -0.319 -8.842 -15.417 1.00 44.24 C ATOM 443 CG MET A 29 0.401 -7.529 -15.274 1.00 45.21 C ATOM 444 SD MET A 29 1.751 -7.673 -14.161 1.00 72.42 S ATOM 445 CE MET A 29 2.467 -6.112 -14.462 1.00 22.45 C ATOM 0 H MET A 29 -2.462 -7.916 -14.706 1.00 70.13 H new ATOM 0 HA MET A 29 -1.284 -8.304 -17.240 1.00 31.11 H new ATOM 0 HB2 MET A 29 -0.629 -9.176 -14.427 1.00 44.24 H new ATOM 0 HB3 MET A 29 0.384 -9.583 -15.797 1.00 44.24 H new ATOM 0 HG2 MET A 29 0.761 -7.199 -16.248 1.00 45.21 H new ATOM 0 HG3 MET A 29 -0.291 -6.767 -14.916 1.00 45.21 H new ATOM 0 HE1 MET A 29 3.541 -6.226 -14.608 1.00 22.45 H new ATOM 0 HE2 MET A 29 2.024 -5.675 -15.357 1.00 22.45 H new ATOM 0 HE3 MET A 29 2.284 -5.458 -13.610 1.00 22.45 H new ATOM 455 N ILE A 30 -2.759 -10.857 -15.845 1.00 22.31 N ATOM 456 CA ILE A 30 -3.204 -12.234 -16.085 1.00 3.52 C ATOM 457 C ILE A 30 -4.089 -12.321 -17.323 1.00 42.22 C ATOM 458 O ILE A 30 -3.998 -13.273 -18.104 1.00 23.12 O ATOM 459 CB ILE A 30 -3.935 -12.840 -14.849 1.00 41.43 C ATOM 460 CG1 ILE A 30 -2.989 -12.890 -13.647 1.00 22.42 C ATOM 461 CG2 ILE A 30 -4.476 -14.234 -15.155 1.00 54.10 C ATOM 462 CD1 ILE A 30 -3.618 -13.460 -12.398 1.00 23.50 C ATOM 0 H ILE A 30 -3.158 -10.425 -15.012 1.00 22.31 H new ATOM 0 HA ILE A 30 -2.306 -12.827 -16.259 1.00 3.52 H new ATOM 0 HB ILE A 30 -4.781 -12.196 -14.609 1.00 41.43 H new ATOM 0 HG12 ILE A 30 -2.116 -13.488 -13.908 1.00 22.42 H new ATOM 0 HG13 ILE A 30 -2.632 -11.882 -13.435 1.00 22.42 H new ATOM 0 HG21 ILE A 30 -4.980 -14.630 -14.274 1.00 54.10 H new ATOM 0 HG22 ILE A 30 -5.183 -14.176 -15.983 1.00 54.10 H new ATOM 0 HG23 ILE A 30 -3.651 -14.893 -15.428 1.00 54.10 H new ATOM 0 HD11 ILE A 30 -2.886 -13.463 -11.591 1.00 23.50 H new ATOM 0 HD12 ILE A 30 -4.474 -12.849 -12.110 1.00 23.50 H new ATOM 0 HD13 ILE A 30 -3.949 -14.480 -12.591 1.00 23.50 H new ATOM 474 N ILE A 31 -4.918 -11.330 -17.506 1.00 60.13 N ATOM 475 CA ILE A 31 -5.802 -11.292 -18.635 1.00 44.02 C ATOM 476 C ILE A 31 -5.028 -11.024 -19.927 1.00 34.55 C ATOM 477 O ILE A 31 -5.232 -11.688 -20.934 1.00 12.11 O ATOM 478 CB ILE A 31 -6.889 -10.207 -18.469 1.00 21.51 C ATOM 479 CG1 ILE A 31 -7.687 -10.455 -17.198 1.00 44.15 C ATOM 480 CG2 ILE A 31 -7.816 -10.227 -19.657 1.00 14.42 C ATOM 481 CD1 ILE A 31 -8.789 -9.453 -16.966 1.00 33.23 C ATOM 0 H ILE A 31 -4.999 -10.530 -16.879 1.00 60.13 H new ATOM 0 HA ILE A 31 -6.282 -12.269 -18.692 1.00 44.02 H new ATOM 0 HB ILE A 31 -6.405 -9.232 -18.402 1.00 21.51 H new ATOM 0 HG12 ILE A 31 -8.120 -11.454 -17.241 1.00 44.15 H new ATOM 0 HG13 ILE A 31 -7.008 -10.439 -16.345 1.00 44.15 H new ATOM 0 HG21 ILE A 31 -8.581 -9.460 -19.535 1.00 14.42 H new ATOM 0 HG22 ILE A 31 -7.247 -10.031 -20.566 1.00 14.42 H new ATOM 0 HG23 ILE A 31 -8.292 -11.205 -19.731 1.00 14.42 H new ATOM 0 HD11 ILE A 31 -9.313 -9.696 -16.041 1.00 33.23 H new ATOM 0 HD12 ILE A 31 -8.362 -8.453 -16.889 1.00 33.23 H new ATOM 0 HD13 ILE A 31 -9.491 -9.484 -17.799 1.00 33.23 H new ATOM 493 N THR A 32 -4.120 -10.079 -19.876 1.00 0.00 N ATOM 494 CA THR A 32 -3.405 -9.664 -21.061 1.00 12.14 C ATOM 495 C THR A 32 -2.182 -10.555 -21.338 1.00 22.54 C ATOM 496 O THR A 32 -1.828 -10.819 -22.502 1.00 14.43 O ATOM 497 CB THR A 32 -2.961 -8.194 -20.920 1.00 64.42 C ATOM 498 OG1 THR A 32 -2.123 -8.068 -19.755 1.00 14.01 O ATOM 499 CG2 THR A 32 -4.172 -7.279 -20.754 1.00 4.54 C ATOM 0 H THR A 32 -3.858 -9.581 -19.025 1.00 0.00 H new ATOM 0 HA THR A 32 -4.085 -9.764 -21.907 1.00 12.14 H new ATOM 0 HB THR A 32 -2.417 -7.904 -21.819 1.00 64.42 H new ATOM 0 HG1 THR A 32 -2.683 -7.928 -18.963 1.00 14.01 H new ATOM 0 HG21 THR A 32 -3.837 -6.246 -20.656 1.00 4.54 H new ATOM 0 HG22 THR A 32 -4.819 -7.370 -21.627 1.00 4.54 H new ATOM 0 HG23 THR A 32 -4.726 -7.567 -19.860 1.00 4.54 H new ATOM 507 N LYS A 33 -1.526 -10.990 -20.252 1.00 51.52 N ATOM 508 CA LYS A 33 -0.306 -11.813 -20.271 1.00 54.13 C ATOM 509 C LYS A 33 0.825 -11.129 -21.005 1.00 0.52 C ATOM 510 O LYS A 33 1.813 -11.753 -21.372 1.00 43.11 O ATOM 511 CB LYS A 33 -0.562 -13.215 -20.818 1.00 52.41 C ATOM 512 CG LYS A 33 -1.498 -14.033 -19.945 1.00 4.13 C ATOM 513 CD LYS A 33 -1.629 -15.464 -20.427 1.00 30.04 C ATOM 514 CE LYS A 33 -0.284 -16.183 -20.404 1.00 23.41 C ATOM 515 NZ LYS A 33 -0.396 -17.595 -20.801 1.00 62.43 N ATOM 0 H LYS A 33 -1.839 -10.772 -19.306 1.00 51.52 H new ATOM 0 HA LYS A 33 0.005 -11.929 -19.233 1.00 54.13 H new ATOM 0 HB2 LYS A 33 -0.985 -13.136 -21.820 1.00 52.41 H new ATOM 0 HB3 LYS A 33 0.388 -13.740 -20.914 1.00 52.41 H new ATOM 0 HG2 LYS A 33 -1.130 -14.030 -18.919 1.00 4.13 H new ATOM 0 HG3 LYS A 33 -2.482 -13.564 -19.932 1.00 4.13 H new ATOM 0 HD2 LYS A 33 -2.340 -15.998 -19.797 1.00 30.04 H new ATOM 0 HD3 LYS A 33 -2.031 -15.473 -21.440 1.00 30.04 H new ATOM 0 HE2 LYS A 33 0.409 -15.674 -21.074 1.00 23.41 H new ATOM 0 HE3 LYS A 33 0.140 -16.123 -19.402 1.00 23.41 H new ATOM 0 HZ1 LYS A 33 0.543 -18.040 -20.770 1.00 62.43 H new ATOM 0 HZ2 LYS A 33 -1.036 -18.090 -20.147 1.00 62.43 H new ATOM 0 HZ3 LYS A 33 -0.775 -17.655 -21.768 1.00 62.43 H new ATOM 529 N SER A 34 0.702 -9.830 -21.150 1.00 45.30 N ATOM 530 CA SER A 34 1.663 -9.045 -21.877 1.00 61.32 C ATOM 531 C SER A 34 2.687 -8.417 -20.927 1.00 3.43 C ATOM 532 O SER A 34 3.639 -7.779 -21.377 1.00 61.34 O ATOM 533 CB SER A 34 0.913 -7.953 -22.629 1.00 70.14 C ATOM 534 OG SER A 34 -0.128 -8.522 -23.419 1.00 55.31 O ATOM 0 H SER A 34 -0.072 -9.289 -20.764 1.00 45.30 H new ATOM 0 HA SER A 34 2.205 -9.685 -22.573 1.00 61.32 H new ATOM 0 HB2 SER A 34 0.493 -7.238 -21.922 1.00 70.14 H new ATOM 0 HB3 SER A 34 1.603 -7.402 -23.267 1.00 70.14 H new ATOM 0 HG SER A 34 -0.603 -7.810 -23.896 1.00 55.31 H new ATOM 540 N SER A 35 2.480 -8.624 -19.607 1.00 54.45 N ATOM 541 CA SER A 35 3.290 -8.011 -18.524 1.00 62.15 C ATOM 542 C SER A 35 3.063 -6.487 -18.499 1.00 71.03 C ATOM 543 O SER A 35 2.480 -5.945 -17.576 1.00 20.24 O ATOM 544 CB SER A 35 4.802 -8.335 -18.674 1.00 53.53 C ATOM 545 OG SER A 35 5.043 -9.739 -18.728 1.00 22.41 O ATOM 0 H SER A 35 1.737 -9.229 -19.257 1.00 54.45 H new ATOM 0 HA SER A 35 2.962 -8.441 -17.577 1.00 62.15 H new ATOM 0 HB2 SER A 35 5.185 -7.866 -19.580 1.00 53.53 H new ATOM 0 HB3 SER A 35 5.350 -7.905 -17.836 1.00 53.53 H new ATOM 0 HG SER A 35 4.940 -10.123 -17.832 1.00 22.41 H new ATOM 551 N LYS A 36 3.486 -5.842 -19.546 1.00 63.41 N ATOM 552 CA LYS A 36 3.371 -4.467 -19.725 1.00 24.42 C ATOM 553 C LYS A 36 2.401 -4.237 -20.862 1.00 15.21 C ATOM 554 O LYS A 36 2.632 -4.655 -21.993 1.00 71.43 O ATOM 555 CB LYS A 36 4.780 -3.884 -20.012 1.00 71.34 C ATOM 556 CG LYS A 36 4.887 -2.367 -20.249 1.00 32.34 C ATOM 557 CD LYS A 36 4.341 -1.907 -21.612 1.00 41.45 C ATOM 558 CE LYS A 36 5.111 -2.544 -22.775 1.00 71.14 C ATOM 559 NZ LYS A 36 4.615 -2.089 -24.087 1.00 51.42 N ATOM 0 H LYS A 36 3.943 -6.309 -20.329 1.00 63.41 H new ATOM 0 HA LYS A 36 2.988 -3.962 -18.838 1.00 24.42 H new ATOM 0 HB2 LYS A 36 5.427 -4.140 -19.173 1.00 71.34 H new ATOM 0 HB3 LYS A 36 5.181 -4.391 -20.890 1.00 71.34 H new ATOM 0 HG2 LYS A 36 4.346 -1.847 -19.458 1.00 32.34 H new ATOM 0 HG3 LYS A 36 5.933 -2.070 -20.169 1.00 32.34 H new ATOM 0 HD2 LYS A 36 3.285 -2.168 -21.688 1.00 41.45 H new ATOM 0 HD3 LYS A 36 4.407 -0.821 -21.683 1.00 41.45 H new ATOM 0 HE2 LYS A 36 6.170 -2.300 -22.684 1.00 71.14 H new ATOM 0 HE3 LYS A 36 5.027 -3.629 -22.713 1.00 71.14 H new ATOM 0 HZ1 LYS A 36 5.164 -2.545 -24.843 1.00 51.42 H new ATOM 0 HZ2 LYS A 36 3.612 -2.344 -24.186 1.00 51.42 H new ATOM 0 HZ3 LYS A 36 4.719 -1.057 -24.158 1.00 51.42 H new ATOM 573 N GLY A 37 1.329 -3.646 -20.529 1.00 60.21 N ATOM 574 CA GLY A 37 0.315 -3.257 -21.468 1.00 73.35 C ATOM 575 C GLY A 37 -0.195 -1.926 -21.036 1.00 24.53 C ATOM 576 O GLY A 37 0.517 -1.215 -20.304 1.00 32.15 O ATOM 0 H GLY A 37 1.106 -3.402 -19.564 1.00 60.21 H new ATOM 0 HA2 GLY A 37 0.724 -3.204 -22.477 1.00 73.35 H new ATOM 0 HA3 GLY A 37 -0.491 -3.990 -21.490 1.00 73.35 H new ATOM 580 N ASP A 38 -1.383 -1.547 -21.418 1.00 55.14 N ATOM 581 CA ASP A 38 -1.852 -0.292 -20.915 1.00 23.13 C ATOM 582 C ASP A 38 -2.824 -0.556 -19.831 1.00 54.43 C ATOM 583 O ASP A 38 -3.896 -1.102 -20.053 1.00 1.41 O ATOM 584 CB ASP A 38 -2.434 0.624 -21.979 1.00 74.23 C ATOM 585 CG ASP A 38 -2.570 2.045 -21.459 1.00 22.30 C ATOM 586 OD1 ASP A 38 -1.516 2.678 -21.179 1.00 4.33 O ATOM 587 OD2 ASP A 38 -3.692 2.544 -21.319 1.00 4.12 O ATOM 0 H ASP A 38 -2.011 -2.056 -22.040 1.00 55.14 H new ATOM 0 HA ASP A 38 -0.992 0.255 -20.530 1.00 23.13 H new ATOM 0 HB2 ASP A 38 -1.794 0.615 -22.861 1.00 74.23 H new ATOM 0 HB3 ASP A 38 -3.410 0.252 -22.290 1.00 74.23 H new ATOM 592 N PHE A 39 -2.449 -0.210 -18.656 1.00 53.44 N ATOM 593 CA PHE A 39 -3.258 -0.477 -17.526 1.00 70.14 C ATOM 594 C PHE A 39 -3.540 0.804 -16.833 1.00 4.45 C ATOM 595 O PHE A 39 -2.607 1.544 -16.478 1.00 41.11 O ATOM 596 CB PHE A 39 -2.553 -1.442 -16.571 1.00 3.55 C ATOM 597 CG PHE A 39 -2.092 -2.730 -17.208 1.00 61.51 C ATOM 598 CD1 PHE A 39 -2.996 -3.627 -17.732 1.00 73.02 C ATOM 599 CD2 PHE A 39 -0.751 -3.040 -17.265 1.00 75.31 C ATOM 600 CE1 PHE A 39 -2.571 -4.808 -18.304 1.00 71.22 C ATOM 601 CE2 PHE A 39 -0.319 -4.218 -17.833 1.00 31.42 C ATOM 602 CZ PHE A 39 -1.230 -5.105 -18.353 1.00 51.44 C ATOM 0 H PHE A 39 -1.571 0.267 -18.450 1.00 53.44 H new ATOM 0 HA PHE A 39 -4.189 -0.943 -17.850 1.00 70.14 H new ATOM 0 HB2 PHE A 39 -1.690 -0.937 -16.137 1.00 3.55 H new ATOM 0 HB3 PHE A 39 -3.230 -1.680 -15.750 1.00 3.55 H new ATOM 0 HD1 PHE A 39 -4.052 -3.403 -17.695 1.00 73.02 H new ATOM 0 HD2 PHE A 39 -0.028 -2.349 -16.858 1.00 75.31 H new ATOM 0 HE1 PHE A 39 -3.292 -5.500 -18.714 1.00 71.22 H new ATOM 0 HE2 PHE A 39 0.736 -4.444 -17.870 1.00 31.42 H new ATOM 0 HZ PHE A 39 -0.894 -6.030 -18.798 1.00 51.44 H new ATOM 612 N LEU A 40 -4.783 1.091 -16.645 1.00 63.11 N ATOM 613 CA LEU A 40 -5.148 2.311 -15.998 1.00 14.11 C ATOM 614 C LEU A 40 -5.711 1.989 -14.657 1.00 65.11 C ATOM 615 O LEU A 40 -6.681 1.245 -14.541 1.00 23.33 O ATOM 616 CB LEU A 40 -6.166 3.116 -16.815 1.00 44.21 C ATOM 617 CG LEU A 40 -5.761 3.505 -18.244 1.00 41.31 C ATOM 618 CD1 LEU A 40 -6.869 4.308 -18.902 1.00 52.33 C ATOM 619 CD2 LEU A 40 -4.465 4.296 -18.247 1.00 30.34 C ATOM 0 H LEU A 40 -5.565 0.500 -16.929 1.00 63.11 H new ATOM 0 HA LEU A 40 -4.256 2.930 -15.901 1.00 14.11 H new ATOM 0 HB2 LEU A 40 -7.089 2.539 -16.870 1.00 44.21 H new ATOM 0 HB3 LEU A 40 -6.394 4.030 -16.267 1.00 44.21 H new ATOM 0 HG LEU A 40 -5.600 2.590 -18.813 1.00 41.31 H new ATOM 0 HD11 LEU A 40 -6.570 4.578 -19.915 1.00 52.33 H new ATOM 0 HD12 LEU A 40 -7.779 3.709 -18.940 1.00 52.33 H new ATOM 0 HD13 LEU A 40 -7.054 5.214 -18.325 1.00 52.33 H new ATOM 0 HD21 LEU A 40 -4.201 4.559 -19.272 1.00 30.34 H new ATOM 0 HD22 LEU A 40 -4.593 5.206 -17.661 1.00 30.34 H new ATOM 0 HD23 LEU A 40 -3.669 3.692 -17.811 1.00 30.34 H new ATOM 631 N ILE A 41 -5.125 2.536 -13.653 1.00 73.42 N ATOM 632 CA ILE A 41 -5.541 2.260 -12.330 1.00 21.25 C ATOM 633 C ILE A 41 -6.177 3.477 -11.736 1.00 60.32 C ATOM 634 O ILE A 41 -5.726 4.601 -11.968 1.00 54.15 O ATOM 635 CB ILE A 41 -4.364 1.777 -11.439 1.00 12.34 C ATOM 636 CG1 ILE A 41 -3.676 0.571 -12.101 1.00 43.23 C ATOM 637 CG2 ILE A 41 -4.853 1.432 -10.029 1.00 45.03 C ATOM 638 CD1 ILE A 41 -2.684 -0.153 -11.237 1.00 65.33 C ATOM 0 H ILE A 41 -4.344 3.187 -13.728 1.00 73.42 H new ATOM 0 HA ILE A 41 -6.269 1.450 -12.371 1.00 21.25 H new ATOM 0 HB ILE A 41 -3.637 2.583 -11.343 1.00 12.34 H new ATOM 0 HG12 ILE A 41 -4.443 -0.136 -12.417 1.00 43.23 H new ATOM 0 HG13 ILE A 41 -3.167 0.913 -13.002 1.00 43.23 H new ATOM 0 HG21 ILE A 41 -4.011 1.096 -9.424 1.00 45.03 H new ATOM 0 HG22 ILE A 41 -5.299 2.316 -9.572 1.00 45.03 H new ATOM 0 HG23 ILE A 41 -5.598 0.638 -10.086 1.00 45.03 H new ATOM 0 HD11 ILE A 41 -2.255 -0.986 -11.795 1.00 65.33 H new ATOM 0 HD12 ILE A 41 -1.890 0.533 -10.941 1.00 65.33 H new ATOM 0 HD13 ILE A 41 -3.186 -0.533 -10.347 1.00 65.33 H new ATOM 650 N ARG A 42 -7.242 3.260 -11.020 1.00 3.33 N ATOM 651 CA ARG A 42 -7.929 4.293 -10.357 1.00 61.12 C ATOM 652 C ARG A 42 -7.042 4.770 -9.241 1.00 1.44 C ATOM 653 O ARG A 42 -6.637 3.995 -8.363 1.00 34.51 O ATOM 654 CB ARG A 42 -9.234 3.783 -9.795 1.00 14.04 C ATOM 655 CG ARG A 42 -10.236 4.861 -9.421 1.00 4.33 C ATOM 656 CD ARG A 42 -10.730 5.605 -10.663 1.00 63.44 C ATOM 657 NE ARG A 42 -12.002 6.287 -10.458 1.00 2.05 N ATOM 658 CZ ARG A 42 -12.724 6.877 -11.442 1.00 74.01 C ATOM 659 NH1 ARG A 42 -12.320 6.811 -12.711 1.00 12.23 N ATOM 660 NH2 ARG A 42 -13.843 7.521 -11.148 1.00 43.03 N ATOM 0 H ARG A 42 -7.653 2.336 -10.888 1.00 3.33 H new ATOM 0 HA ARG A 42 -8.159 5.104 -11.048 1.00 61.12 H new ATOM 0 HB2 ARG A 42 -9.693 3.119 -10.528 1.00 14.04 H new ATOM 0 HB3 ARG A 42 -9.022 3.183 -8.910 1.00 14.04 H new ATOM 0 HG2 ARG A 42 -11.082 4.411 -8.901 1.00 4.33 H new ATOM 0 HG3 ARG A 42 -9.775 5.566 -8.729 1.00 4.33 H new ATOM 0 HD2 ARG A 42 -9.978 6.335 -10.964 1.00 63.44 H new ATOM 0 HD3 ARG A 42 -10.834 4.897 -11.485 1.00 63.44 H new ATOM 0 HE ARG A 42 -12.374 6.323 -9.509 1.00 2.05 H new ATOM 0 HH11 ARG A 42 -11.462 6.314 -12.948 1.00 12.23 H new ATOM 0 HH12 ARG A 42 -12.869 7.258 -13.445 1.00 12.23 H new ATOM 0 HH21 ARG A 42 -14.162 7.573 -10.181 1.00 43.03 H new ATOM 0 HH22 ARG A 42 -14.386 7.965 -11.889 1.00 43.03 H new ATOM 674 N THR A 43 -6.744 5.985 -9.286 1.00 2.25 N ATOM 675 CA THR A 43 -5.838 6.580 -8.384 1.00 21.33 C ATOM 676 C THR A 43 -6.562 7.655 -7.620 1.00 52.04 C ATOM 677 O THR A 43 -7.581 8.190 -8.100 1.00 50.42 O ATOM 678 CB THR A 43 -4.574 7.136 -9.110 1.00 20.21 C ATOM 679 OG1 THR A 43 -3.601 7.589 -8.158 1.00 24.42 O ATOM 680 CG2 THR A 43 -4.932 8.275 -10.038 1.00 71.04 C ATOM 0 H THR A 43 -7.130 6.633 -9.973 1.00 2.25 H new ATOM 0 HA THR A 43 -5.473 5.824 -7.689 1.00 21.33 H new ATOM 0 HB THR A 43 -4.152 6.321 -9.699 1.00 20.21 H new ATOM 0 HG1 THR A 43 -2.815 7.932 -8.632 1.00 24.42 H new ATOM 0 HG21 THR A 43 -4.030 8.641 -10.529 1.00 71.04 H new ATOM 0 HG22 THR A 43 -5.638 7.923 -10.790 1.00 71.04 H new ATOM 0 HG23 THR A 43 -5.386 9.083 -9.464 1.00 71.04 H new ATOM 688 N LYS A 44 -6.083 7.952 -6.458 1.00 62.21 N ATOM 689 CA LYS A 44 -6.721 8.897 -5.603 1.00 43.12 C ATOM 690 C LYS A 44 -5.891 10.152 -5.595 1.00 64.41 C ATOM 691 O LYS A 44 -4.781 10.180 -5.054 1.00 33.54 O ATOM 692 CB LYS A 44 -6.807 8.304 -4.194 1.00 65.21 C ATOM 693 CG LYS A 44 -7.636 7.032 -4.119 1.00 34.33 C ATOM 694 CD LYS A 44 -7.633 6.439 -2.726 1.00 14.12 C ATOM 695 CE LYS A 44 -8.462 5.167 -2.678 1.00 72.02 C ATOM 696 NZ LYS A 44 -8.445 4.513 -1.347 1.00 54.13 N ATOM 0 H LYS A 44 -5.232 7.543 -6.072 1.00 62.21 H new ATOM 0 HA LYS A 44 -7.728 9.128 -5.951 1.00 43.12 H new ATOM 0 HB2 LYS A 44 -5.800 8.093 -3.836 1.00 65.21 H new ATOM 0 HB3 LYS A 44 -7.235 9.047 -3.522 1.00 65.21 H new ATOM 0 HG2 LYS A 44 -8.661 7.248 -4.420 1.00 34.33 H new ATOM 0 HG3 LYS A 44 -7.244 6.301 -4.826 1.00 34.33 H new ATOM 0 HD2 LYS A 44 -6.609 6.223 -2.420 1.00 14.12 H new ATOM 0 HD3 LYS A 44 -8.031 7.164 -2.016 1.00 14.12 H new ATOM 0 HE2 LYS A 44 -9.492 5.401 -2.948 1.00 72.02 H new ATOM 0 HE3 LYS A 44 -8.087 4.467 -3.425 1.00 72.02 H new ATOM 0 HZ1 LYS A 44 -9.251 3.860 -1.271 1.00 54.13 H new ATOM 0 HZ2 LYS A 44 -7.558 3.983 -1.232 1.00 54.13 H new ATOM 0 HZ3 LYS A 44 -8.514 5.237 -0.604 1.00 54.13 H new ATOM 710 N LYS A 45 -6.423 11.173 -6.215 1.00 2.31 N ATOM 711 CA LYS A 45 -5.740 12.428 -6.363 1.00 53.22 C ATOM 712 C LYS A 45 -6.601 13.544 -5.827 1.00 72.01 C ATOM 713 O LYS A 45 -7.608 13.899 -6.438 1.00 43.20 O ATOM 714 CB LYS A 45 -5.452 12.690 -7.854 1.00 3.44 C ATOM 715 CG LYS A 45 -4.547 11.685 -8.521 1.00 54.34 C ATOM 716 CD LYS A 45 -4.260 12.105 -9.943 1.00 3.10 C ATOM 717 CE LYS A 45 -3.355 13.338 -10.020 1.00 22.12 C ATOM 718 NZ LYS A 45 -2.009 13.088 -9.448 1.00 22.44 N ATOM 0 H LYS A 45 -7.352 11.155 -6.635 1.00 2.31 H new ATOM 0 HA LYS A 45 -4.803 12.388 -5.808 1.00 53.22 H new ATOM 0 HB2 LYS A 45 -6.400 12.714 -8.392 1.00 3.44 H new ATOM 0 HB3 LYS A 45 -5.005 13.679 -7.953 1.00 3.44 H new ATOM 0 HG2 LYS A 45 -3.614 11.599 -7.964 1.00 54.34 H new ATOM 0 HG3 LYS A 45 -5.015 10.701 -8.512 1.00 54.34 H new ATOM 0 HD2 LYS A 45 -3.788 11.278 -10.474 1.00 3.10 H new ATOM 0 HD3 LYS A 45 -5.200 12.316 -10.453 1.00 3.10 H new ATOM 0 HE2 LYS A 45 -3.253 13.646 -11.061 1.00 22.12 H new ATOM 0 HE3 LYS A 45 -3.825 14.165 -9.487 1.00 22.12 H new ATOM 0 HZ1 LYS A 45 -1.360 13.845 -9.744 1.00 22.44 H new ATOM 0 HZ2 LYS A 45 -2.071 13.071 -8.410 1.00 22.44 H new ATOM 0 HZ3 LYS A 45 -1.652 12.173 -9.789 1.00 22.44 H new ATOM 732 N ASP A 46 -6.200 14.077 -4.690 1.00 53.31 N ATOM 733 CA ASP A 46 -6.881 15.200 -4.014 1.00 42.23 C ATOM 734 C ASP A 46 -8.385 14.995 -3.871 1.00 63.40 C ATOM 735 O ASP A 46 -9.170 15.929 -4.025 1.00 22.53 O ATOM 736 CB ASP A 46 -6.550 16.542 -4.677 1.00 75.41 C ATOM 737 CG ASP A 46 -5.095 16.911 -4.504 1.00 1.14 C ATOM 738 OD1 ASP A 46 -4.723 17.406 -3.421 1.00 1.25 O ATOM 739 OD2 ASP A 46 -4.300 16.707 -5.437 1.00 60.12 O ATOM 0 H ASP A 46 -5.376 13.746 -4.188 1.00 53.31 H new ATOM 0 HA ASP A 46 -6.486 15.225 -2.998 1.00 42.23 H new ATOM 0 HB2 ASP A 46 -6.788 16.491 -5.739 1.00 75.41 H new ATOM 0 HB3 ASP A 46 -7.177 17.324 -4.247 1.00 75.41 H new ATOM 744 N GLY A 47 -8.773 13.786 -3.524 1.00 53.05 N ATOM 745 CA GLY A 47 -10.175 13.481 -3.330 1.00 12.21 C ATOM 746 C GLY A 47 -10.880 13.044 -4.597 1.00 42.12 C ATOM 747 O GLY A 47 -12.058 12.675 -4.565 1.00 15.12 O ATOM 0 H GLY A 47 -8.140 13.001 -3.371 1.00 53.05 H new ATOM 0 HA2 GLY A 47 -10.267 12.693 -2.582 1.00 12.21 H new ATOM 0 HA3 GLY A 47 -10.678 14.361 -2.929 1.00 12.21 H new ATOM 751 N LYS A 48 -10.182 13.075 -5.701 1.00 51.43 N ATOM 752 CA LYS A 48 -10.750 12.656 -6.956 1.00 75.25 C ATOM 753 C LYS A 48 -10.136 11.340 -7.380 1.00 63.24 C ATOM 754 O LYS A 48 -8.921 11.157 -7.295 1.00 30.43 O ATOM 755 CB LYS A 48 -10.523 13.723 -8.034 1.00 52.34 C ATOM 756 CG LYS A 48 -11.186 15.057 -7.728 1.00 22.35 C ATOM 757 CD LYS A 48 -10.875 16.096 -8.793 1.00 22.02 C ATOM 758 CE LYS A 48 -11.582 17.408 -8.494 1.00 22.51 C ATOM 759 NZ LYS A 48 -11.254 18.458 -9.482 1.00 20.22 N ATOM 0 H LYS A 48 -9.213 13.388 -5.757 1.00 51.43 H new ATOM 0 HA LYS A 48 -11.825 12.524 -6.830 1.00 75.25 H new ATOM 0 HB2 LYS A 48 -9.451 13.880 -8.156 1.00 52.34 H new ATOM 0 HB3 LYS A 48 -10.901 13.350 -8.986 1.00 52.34 H new ATOM 0 HG2 LYS A 48 -12.265 14.920 -7.658 1.00 22.35 H new ATOM 0 HG3 LYS A 48 -10.847 15.418 -6.757 1.00 22.35 H new ATOM 0 HD2 LYS A 48 -9.799 16.261 -8.842 1.00 22.02 H new ATOM 0 HD3 LYS A 48 -11.185 15.725 -9.770 1.00 22.02 H new ATOM 0 HE2 LYS A 48 -12.660 17.244 -8.485 1.00 22.51 H new ATOM 0 HE3 LYS A 48 -11.303 17.750 -7.497 1.00 22.51 H new ATOM 0 HZ1 LYS A 48 -11.758 19.334 -9.238 1.00 20.22 H new ATOM 0 HZ2 LYS A 48 -10.229 18.635 -9.473 1.00 20.22 H new ATOM 0 HZ3 LYS A 48 -11.543 18.145 -10.431 1.00 20.22 H new ATOM 773 N GLN A 49 -10.959 10.420 -7.805 1.00 23.34 N ATOM 774 CA GLN A 49 -10.497 9.167 -8.261 1.00 63.14 C ATOM 775 C GLN A 49 -10.483 9.221 -9.768 1.00 22.52 C ATOM 776 O GLN A 49 -11.509 9.477 -10.381 1.00 32.51 O ATOM 777 CB GLN A 49 -11.408 8.011 -7.784 1.00 45.40 C ATOM 778 CG GLN A 49 -11.515 7.761 -6.259 1.00 50.54 C ATOM 779 CD GLN A 49 -12.210 8.867 -5.461 1.00 22.15 C ATOM 780 OE1 GLN A 49 -13.431 8.860 -5.305 1.00 2.52 O ATOM 781 NE2 GLN A 49 -11.450 9.769 -4.908 1.00 45.21 N ATOM 0 H GLN A 49 -11.972 10.534 -7.839 1.00 23.34 H new ATOM 0 HA GLN A 49 -9.503 8.973 -7.858 1.00 63.14 H new ATOM 0 HB2 GLN A 49 -12.412 8.197 -8.165 1.00 45.40 H new ATOM 0 HB3 GLN A 49 -11.055 7.091 -8.251 1.00 45.40 H new ATOM 0 HG2 GLN A 49 -12.053 6.827 -6.098 1.00 50.54 H new ATOM 0 HG3 GLN A 49 -10.510 7.624 -5.859 1.00 50.54 H new ATOM 0 HE21 GLN A 49 -10.441 9.747 -5.057 1.00 45.21 H new ATOM 0 HE22 GLN A 49 -11.864 10.497 -4.326 1.00 45.21 H new ATOM 790 N VAL A 50 -9.340 9.013 -10.357 1.00 33.24 N ATOM 791 CA VAL A 50 -9.194 9.090 -11.812 1.00 15.10 C ATOM 792 C VAL A 50 -8.406 7.887 -12.305 1.00 43.15 C ATOM 793 O VAL A 50 -7.898 7.125 -11.491 1.00 64.55 O ATOM 794 CB VAL A 50 -8.470 10.407 -12.245 1.00 54.34 C ATOM 795 CG1 VAL A 50 -9.262 11.633 -11.814 1.00 51.02 C ATOM 796 CG2 VAL A 50 -7.064 10.471 -11.671 1.00 75.45 C ATOM 0 H VAL A 50 -8.479 8.786 -9.860 1.00 33.24 H new ATOM 0 HA VAL A 50 -10.190 9.092 -12.255 1.00 15.10 H new ATOM 0 HB VAL A 50 -8.402 10.400 -13.333 1.00 54.34 H new ATOM 0 HG11 VAL A 50 -8.736 12.535 -12.128 1.00 51.02 H new ATOM 0 HG12 VAL A 50 -10.249 11.609 -12.276 1.00 51.02 H new ATOM 0 HG13 VAL A 50 -9.369 11.634 -10.729 1.00 51.02 H new ATOM 0 HG21 VAL A 50 -6.583 11.397 -11.988 1.00 75.45 H new ATOM 0 HG22 VAL A 50 -7.114 10.442 -10.583 1.00 75.45 H new ATOM 0 HG23 VAL A 50 -6.485 9.620 -12.031 1.00 75.45 H new ATOM 806 N TRP A 51 -8.316 7.701 -13.608 1.00 45.52 N ATOM 807 CA TRP A 51 -7.553 6.600 -14.154 1.00 43.32 C ATOM 808 C TRP A 51 -6.161 7.080 -14.515 1.00 20.32 C ATOM 809 O TRP A 51 -6.003 7.980 -15.350 1.00 32.11 O ATOM 810 CB TRP A 51 -8.218 6.019 -15.407 1.00 34.53 C ATOM 811 CG TRP A 51 -9.584 5.477 -15.221 1.00 1.33 C ATOM 812 CD1 TRP A 51 -10.698 5.971 -15.771 1.00 35.34 C ATOM 813 CD2 TRP A 51 -9.983 4.334 -14.449 1.00 63.51 C ATOM 814 NE1 TRP A 51 -11.781 5.225 -15.404 1.00 45.33 N ATOM 815 CE2 TRP A 51 -11.374 4.212 -14.592 1.00 0.31 C ATOM 816 CE3 TRP A 51 -9.307 3.410 -13.654 1.00 41.44 C ATOM 817 CZ2 TRP A 51 -12.107 3.202 -13.979 1.00 33.32 C ATOM 818 CZ3 TRP A 51 -10.035 2.406 -13.043 1.00 62.33 C ATOM 819 CH2 TRP A 51 -11.422 2.312 -13.209 1.00 64.03 C ATOM 0 H TRP A 51 -8.761 8.298 -14.305 1.00 45.52 H new ATOM 0 HA TRP A 51 -7.505 5.819 -13.396 1.00 43.32 H new ATOM 0 HB2 TRP A 51 -8.257 6.798 -16.168 1.00 34.53 H new ATOM 0 HB3 TRP A 51 -7.582 5.224 -15.797 1.00 34.53 H new ATOM 0 HD1 TRP A 51 -10.736 6.838 -16.415 1.00 35.34 H new ATOM 0 HE1 TRP A 51 -12.743 5.400 -15.693 1.00 45.33 H new ATOM 0 HE3 TRP A 51 -8.238 3.477 -13.518 1.00 41.44 H new ATOM 0 HZ2 TRP A 51 -13.177 3.126 -14.108 1.00 33.32 H new ATOM 0 HZ3 TRP A 51 -9.524 1.681 -12.426 1.00 62.33 H new ATOM 0 HH2 TRP A 51 -11.960 1.516 -12.716 1.00 64.03 H new ATOM 830 N GLU A 52 -5.174 6.503 -13.895 1.00 41.14 N ATOM 831 CA GLU A 52 -3.800 6.834 -14.159 1.00 21.04 C ATOM 832 C GLU A 52 -3.055 5.580 -14.570 1.00 70.54 C ATOM 833 O GLU A 52 -3.290 4.497 -14.011 1.00 22.33 O ATOM 834 CB GLU A 52 -3.159 7.458 -12.923 1.00 10.55 C ATOM 835 CG GLU A 52 -1.703 7.830 -13.097 1.00 65.14 C ATOM 836 CD GLU A 52 -1.115 8.459 -11.873 1.00 54.43 C ATOM 837 OE1 GLU A 52 -0.654 7.734 -10.990 1.00 52.15 O ATOM 838 OE2 GLU A 52 -1.103 9.699 -11.784 1.00 22.11 O ATOM 0 H GLU A 52 -5.299 5.782 -13.184 1.00 41.14 H new ATOM 0 HA GLU A 52 -3.751 7.561 -14.969 1.00 21.04 H new ATOM 0 HB2 GLU A 52 -3.720 8.352 -12.649 1.00 10.55 H new ATOM 0 HB3 GLU A 52 -3.246 6.759 -12.091 1.00 10.55 H new ATOM 0 HG2 GLU A 52 -1.132 6.937 -13.351 1.00 65.14 H new ATOM 0 HG3 GLU A 52 -1.606 8.519 -13.936 1.00 65.14 H new ATOM 845 N ALA A 53 -2.173 5.720 -15.536 1.00 74.12 N ATOM 846 CA ALA A 53 -1.397 4.608 -16.051 1.00 64.21 C ATOM 847 C ALA A 53 -0.507 4.004 -14.971 1.00 40.03 C ATOM 848 O ALA A 53 0.001 4.717 -14.083 1.00 15.13 O ATOM 849 CB ALA A 53 -0.560 5.056 -17.241 1.00 71.40 C ATOM 0 H ALA A 53 -1.972 6.611 -15.989 1.00 74.12 H new ATOM 0 HA ALA A 53 -2.093 3.836 -16.379 1.00 64.21 H new ATOM 0 HB1 ALA A 53 0.018 4.212 -17.618 1.00 71.40 H new ATOM 0 HB2 ALA A 53 -1.216 5.427 -18.028 1.00 71.40 H new ATOM 0 HB3 ALA A 53 0.119 5.850 -16.930 1.00 71.40 H new ATOM 855 N ALA A 54 -0.358 2.702 -15.023 1.00 43.12 N ATOM 856 CA ALA A 54 0.496 1.982 -14.107 1.00 23.01 C ATOM 857 C ALA A 54 1.965 2.301 -14.386 1.00 13.23 C ATOM 858 O ALA A 54 2.299 2.859 -15.433 1.00 45.14 O ATOM 859 CB ALA A 54 0.237 0.489 -14.208 1.00 54.24 C ATOM 0 H ALA A 54 -0.828 2.108 -15.706 1.00 43.12 H new ATOM 0 HA ALA A 54 0.267 2.300 -13.090 1.00 23.01 H new ATOM 0 HB1 ALA A 54 0.887 -0.041 -13.512 1.00 54.24 H new ATOM 0 HB2 ALA A 54 -0.804 0.283 -13.960 1.00 54.24 H new ATOM 0 HB3 ALA A 54 0.442 0.152 -15.224 1.00 54.24 H new ATOM 865 N SER A 55 2.830 1.934 -13.477 1.00 43.24 N ATOM 866 CA SER A 55 4.217 2.244 -13.607 1.00 41.11 C ATOM 867 C SER A 55 4.994 0.960 -13.502 1.00 53.21 C ATOM 868 O SER A 55 4.512 0.002 -12.892 1.00 62.53 O ATOM 869 CB SER A 55 4.645 3.255 -12.522 1.00 25.50 C ATOM 870 OG SER A 55 5.995 3.671 -12.693 1.00 42.41 O ATOM 0 H SER A 55 2.588 1.415 -12.633 1.00 43.24 H new ATOM 0 HA SER A 55 4.416 2.709 -14.573 1.00 41.11 H new ATOM 0 HB2 SER A 55 3.989 4.125 -12.556 1.00 25.50 H new ATOM 0 HB3 SER A 55 4.525 2.804 -11.537 1.00 25.50 H new ATOM 0 HG SER A 55 6.231 4.312 -11.990 1.00 42.41 H new ATOM 876 N LYS A 56 6.179 0.939 -14.075 1.00 23.12 N ATOM 877 CA LYS A 56 7.015 -0.250 -14.152 1.00 72.34 C ATOM 878 C LYS A 56 7.291 -0.876 -12.768 1.00 42.35 C ATOM 879 O LYS A 56 7.379 -2.093 -12.645 1.00 71.43 O ATOM 880 CB LYS A 56 8.297 0.092 -14.883 1.00 22.45 C ATOM 881 CG LYS A 56 9.141 -1.105 -15.248 1.00 44.45 C ATOM 882 CD LYS A 56 10.343 -0.692 -16.067 1.00 22.21 C ATOM 883 CE LYS A 56 9.940 -0.066 -17.411 1.00 71.25 C ATOM 884 NZ LYS A 56 11.115 0.339 -18.210 1.00 44.44 N ATOM 0 H LYS A 56 6.600 1.760 -14.509 1.00 23.12 H new ATOM 0 HA LYS A 56 6.475 -1.014 -14.712 1.00 72.34 H new ATOM 0 HB2 LYS A 56 8.048 0.638 -15.793 1.00 22.45 H new ATOM 0 HB3 LYS A 56 8.889 0.763 -14.260 1.00 22.45 H new ATOM 0 HG2 LYS A 56 9.471 -1.612 -14.341 1.00 44.45 H new ATOM 0 HG3 LYS A 56 8.541 -1.819 -15.812 1.00 44.45 H new ATOM 0 HD2 LYS A 56 10.940 0.022 -15.499 1.00 22.21 H new ATOM 0 HD3 LYS A 56 10.974 -1.562 -16.248 1.00 22.21 H new ATOM 0 HE2 LYS A 56 9.345 -0.781 -17.979 1.00 71.25 H new ATOM 0 HE3 LYS A 56 9.308 0.803 -17.230 1.00 71.25 H new ATOM 0 HZ1 LYS A 56 10.797 0.756 -19.108 1.00 44.44 H new ATOM 0 HZ2 LYS A 56 11.670 1.040 -17.680 1.00 44.44 H new ATOM 0 HZ3 LYS A 56 11.706 -0.494 -18.405 1.00 44.44 H new ATOM 898 N THR A 57 7.396 -0.052 -11.739 1.00 2.13 N ATOM 899 CA THR A 57 7.591 -0.557 -10.385 1.00 43.52 C ATOM 900 C THR A 57 6.335 -1.293 -9.872 1.00 42.34 C ATOM 901 O THR A 57 6.433 -2.343 -9.238 1.00 74.45 O ATOM 902 CB THR A 57 8.011 0.568 -9.387 1.00 71.52 C ATOM 903 OG1 THR A 57 8.187 0.020 -8.072 1.00 33.11 O ATOM 904 CG2 THR A 57 6.977 1.698 -9.330 1.00 44.34 C ATOM 0 H THR A 57 7.350 0.964 -11.811 1.00 2.13 H new ATOM 0 HA THR A 57 8.413 -1.271 -10.437 1.00 43.52 H new ATOM 0 HB THR A 57 8.951 0.986 -9.747 1.00 71.52 H new ATOM 0 HG1 THR A 57 8.452 0.733 -7.453 1.00 33.11 H new ATOM 0 HG21 THR A 57 7.309 2.459 -8.624 1.00 44.34 H new ATOM 0 HG22 THR A 57 6.869 2.143 -10.319 1.00 44.34 H new ATOM 0 HG23 THR A 57 6.017 1.297 -9.006 1.00 44.34 H new ATOM 912 N ALA A 58 5.163 -0.754 -10.168 1.00 33.13 N ATOM 913 CA ALA A 58 3.920 -1.360 -9.738 1.00 4.32 C ATOM 914 C ALA A 58 3.638 -2.582 -10.573 1.00 30.21 C ATOM 915 O ALA A 58 3.100 -3.582 -10.080 1.00 20.31 O ATOM 916 CB ALA A 58 2.778 -0.365 -9.810 1.00 43.31 C ATOM 0 H ALA A 58 5.050 0.105 -10.706 1.00 33.13 H new ATOM 0 HA ALA A 58 4.015 -1.666 -8.696 1.00 4.32 H new ATOM 0 HB1 ALA A 58 1.856 -0.845 -9.482 1.00 43.31 H new ATOM 0 HB2 ALA A 58 2.995 0.485 -9.163 1.00 43.31 H new ATOM 0 HB3 ALA A 58 2.661 -0.019 -10.837 1.00 43.31 H new ATOM 922 N LEU A 59 4.013 -2.505 -11.842 1.00 23.21 N ATOM 923 CA LEU A 59 3.875 -3.609 -12.734 1.00 51.25 C ATOM 924 C LEU A 59 4.757 -4.767 -12.265 1.00 54.24 C ATOM 925 O LEU A 59 4.276 -5.868 -12.087 1.00 41.11 O ATOM 926 CB LEU A 59 4.223 -3.206 -14.181 1.00 40.22 C ATOM 927 CG LEU A 59 3.345 -2.146 -14.854 1.00 51.21 C ATOM 928 CD1 LEU A 59 3.969 -1.723 -16.176 1.00 74.03 C ATOM 929 CD2 LEU A 59 1.972 -2.706 -15.131 1.00 10.34 C ATOM 0 H LEU A 59 4.419 -1.670 -12.265 1.00 23.21 H new ATOM 0 HA LEU A 59 2.834 -3.931 -12.727 1.00 51.25 H new ATOM 0 HB2 LEU A 59 5.252 -2.846 -14.191 1.00 40.22 H new ATOM 0 HB3 LEU A 59 4.194 -4.105 -14.796 1.00 40.22 H new ATOM 0 HG LEU A 59 3.265 -1.289 -14.185 1.00 51.21 H new ATOM 0 HD11 LEU A 59 3.341 -0.969 -16.650 1.00 74.03 H new ATOM 0 HD12 LEU A 59 4.960 -1.307 -15.994 1.00 74.03 H new ATOM 0 HD13 LEU A 59 4.054 -2.589 -16.832 1.00 74.03 H new ATOM 0 HD21 LEU A 59 1.358 -1.943 -15.609 1.00 10.34 H new ATOM 0 HD22 LEU A 59 2.058 -3.569 -15.791 1.00 10.34 H new ATOM 0 HD23 LEU A 59 1.507 -3.011 -14.193 1.00 10.34 H new ATOM 941 N LYS A 60 6.037 -4.496 -12.013 1.00 24.33 N ATOM 942 CA LYS A 60 6.950 -5.532 -11.567 1.00 32.14 C ATOM 943 C LYS A 60 6.477 -6.162 -10.256 1.00 33.40 C ATOM 944 O LYS A 60 6.603 -7.364 -10.064 1.00 53.12 O ATOM 945 CB LYS A 60 8.356 -4.977 -11.418 1.00 2.10 C ATOM 946 CG LYS A 60 9.359 -6.007 -10.964 1.00 33.24 C ATOM 947 CD LYS A 60 10.737 -5.426 -10.890 1.00 3.12 C ATOM 948 CE LYS A 60 11.728 -6.470 -10.403 1.00 54.43 C ATOM 949 NZ LYS A 60 13.112 -5.964 -10.369 1.00 71.53 N ATOM 0 H LYS A 60 6.457 -3.572 -12.111 1.00 24.33 H new ATOM 0 HA LYS A 60 6.965 -6.314 -12.326 1.00 32.14 H new ATOM 0 HB2 LYS A 60 8.678 -4.562 -12.373 1.00 2.10 H new ATOM 0 HB3 LYS A 60 8.341 -4.155 -10.702 1.00 2.10 H new ATOM 0 HG2 LYS A 60 9.071 -6.392 -9.986 1.00 33.24 H new ATOM 0 HG3 LYS A 60 9.354 -6.851 -11.653 1.00 33.24 H new ATOM 0 HD2 LYS A 60 11.037 -5.061 -11.872 1.00 3.12 H new ATOM 0 HD3 LYS A 60 10.741 -4.569 -10.216 1.00 3.12 H new ATOM 0 HE2 LYS A 60 11.441 -6.800 -9.405 1.00 54.43 H new ATOM 0 HE3 LYS A 60 11.680 -7.343 -11.054 1.00 54.43 H new ATOM 0 HZ1 LYS A 60 13.748 -6.714 -10.030 1.00 71.53 H new ATOM 0 HZ2 LYS A 60 13.399 -5.673 -11.325 1.00 71.53 H new ATOM 0 HZ3 LYS A 60 13.167 -5.147 -9.727 1.00 71.53 H new ATOM 963 N LYS A 61 5.899 -5.351 -9.382 1.00 23.01 N ATOM 964 CA LYS A 61 5.388 -5.823 -8.128 1.00 5.20 C ATOM 965 C LYS A 61 4.250 -6.817 -8.358 1.00 35.45 C ATOM 966 O LYS A 61 4.230 -7.900 -7.769 1.00 64.33 O ATOM 967 CB LYS A 61 4.994 -4.592 -7.256 1.00 72.31 C ATOM 968 CG LYS A 61 4.287 -4.845 -5.918 1.00 43.45 C ATOM 969 CD LYS A 61 2.820 -5.188 -6.104 1.00 41.40 C ATOM 970 CE LYS A 61 2.112 -5.337 -4.768 1.00 20.13 C ATOM 971 NZ LYS A 61 0.669 -5.619 -4.926 1.00 2.20 N ATOM 0 H LYS A 61 5.777 -4.350 -9.533 1.00 23.01 H new ATOM 0 HA LYS A 61 6.147 -6.378 -7.576 1.00 5.20 H new ATOM 0 HB2 LYS A 61 5.902 -4.026 -7.050 1.00 72.31 H new ATOM 0 HB3 LYS A 61 4.349 -3.952 -7.857 1.00 72.31 H new ATOM 0 HG2 LYS A 61 4.786 -5.660 -5.393 1.00 43.45 H new ATOM 0 HG3 LYS A 61 4.375 -3.959 -5.289 1.00 43.45 H new ATOM 0 HD2 LYS A 61 2.334 -4.408 -6.690 1.00 41.40 H new ATOM 0 HD3 LYS A 61 2.730 -6.115 -6.670 1.00 41.40 H new ATOM 0 HE2 LYS A 61 2.577 -6.143 -4.201 1.00 20.13 H new ATOM 0 HE3 LYS A 61 2.240 -4.423 -4.188 1.00 20.13 H new ATOM 0 HZ1 LYS A 61 0.229 -5.712 -3.988 1.00 2.20 H new ATOM 0 HZ2 LYS A 61 0.217 -4.839 -5.444 1.00 2.20 H new ATOM 0 HZ3 LYS A 61 0.544 -6.505 -5.457 1.00 2.20 H new ATOM 985 N SER A 62 3.352 -6.470 -9.238 1.00 21.33 N ATOM 986 CA SER A 62 2.216 -7.307 -9.555 1.00 53.41 C ATOM 987 C SER A 62 2.659 -8.555 -10.322 1.00 34.02 C ATOM 988 O SER A 62 2.245 -9.671 -9.996 1.00 70.21 O ATOM 989 CB SER A 62 1.221 -6.491 -10.360 1.00 31.31 C ATOM 990 OG SER A 62 0.874 -5.307 -9.645 1.00 23.13 O ATOM 0 H SER A 62 3.383 -5.595 -9.761 1.00 21.33 H new ATOM 0 HA SER A 62 1.741 -7.648 -8.635 1.00 53.41 H new ATOM 0 HB2 SER A 62 1.650 -6.230 -11.327 1.00 31.31 H new ATOM 0 HB3 SER A 62 0.327 -7.083 -10.557 1.00 31.31 H new ATOM 0 HG SER A 62 1.585 -4.641 -9.750 1.00 23.13 H new ATOM 996 N TRP A 63 3.544 -8.373 -11.287 1.00 20.12 N ATOM 997 CA TRP A 63 4.018 -9.447 -12.106 1.00 53.43 C ATOM 998 C TRP A 63 4.864 -10.420 -11.291 1.00 4.31 C ATOM 999 O TRP A 63 4.954 -11.598 -11.612 1.00 52.55 O ATOM 1000 CB TRP A 63 4.767 -8.918 -13.326 1.00 14.44 C ATOM 1001 CG TRP A 63 5.174 -9.992 -14.258 1.00 14.34 C ATOM 1002 CD1 TRP A 63 6.391 -10.547 -14.342 1.00 32.10 C ATOM 1003 CD2 TRP A 63 4.344 -10.670 -15.218 1.00 73.05 C ATOM 1004 NE1 TRP A 63 6.398 -11.522 -15.298 1.00 70.02 N ATOM 1005 CE2 TRP A 63 5.148 -11.619 -15.851 1.00 65.23 C ATOM 1006 CE3 TRP A 63 2.997 -10.561 -15.598 1.00 4.21 C ATOM 1007 CZ2 TRP A 63 4.664 -12.462 -16.850 1.00 74.02 C ATOM 1008 CZ3 TRP A 63 2.513 -11.403 -16.590 1.00 35.22 C ATOM 1009 CH2 TRP A 63 3.347 -12.340 -17.201 1.00 61.15 C ATOM 0 H TRP A 63 3.949 -7.465 -11.516 1.00 20.12 H new ATOM 0 HA TRP A 63 3.156 -10.001 -12.477 1.00 53.43 H new ATOM 0 HB2 TRP A 63 4.134 -8.205 -13.854 1.00 14.44 H new ATOM 0 HB3 TRP A 63 5.652 -8.375 -12.996 1.00 14.44 H new ATOM 0 HD1 TRP A 63 7.243 -10.264 -13.741 1.00 32.10 H new ATOM 0 HE1 TRP A 63 7.205 -12.088 -15.559 1.00 70.02 H new ATOM 0 HE3 TRP A 63 2.350 -9.836 -15.128 1.00 4.21 H new ATOM 0 HZ2 TRP A 63 5.306 -13.186 -17.330 1.00 74.02 H new ATOM 0 HZ3 TRP A 63 1.479 -11.332 -16.892 1.00 35.22 H new ATOM 0 HH2 TRP A 63 2.944 -12.984 -17.969 1.00 61.15 H new ATOM 1020 N LYS A 64 5.489 -9.926 -10.238 1.00 51.41 N ATOM 1021 CA LYS A 64 6.266 -10.773 -9.349 1.00 70.41 C ATOM 1022 C LYS A 64 5.365 -11.887 -8.747 1.00 25.11 C ATOM 1023 O LYS A 64 5.834 -12.979 -8.455 1.00 75.22 O ATOM 1024 CB LYS A 64 6.953 -9.916 -8.282 1.00 3.45 C ATOM 1025 CG LYS A 64 7.914 -10.646 -7.362 1.00 50.04 C ATOM 1026 CD LYS A 64 8.656 -9.646 -6.486 1.00 23.43 C ATOM 1027 CE LYS A 64 9.636 -10.317 -5.542 1.00 70.12 C ATOM 1028 NZ LYS A 64 8.969 -11.174 -4.547 1.00 41.30 N ATOM 0 H LYS A 64 5.474 -8.940 -9.976 1.00 51.41 H new ATOM 0 HA LYS A 64 7.054 -11.277 -9.908 1.00 70.41 H new ATOM 0 HB2 LYS A 64 7.497 -9.115 -8.782 1.00 3.45 H new ATOM 0 HB3 LYS A 64 6.183 -9.445 -7.671 1.00 3.45 H new ATOM 0 HG2 LYS A 64 7.367 -11.353 -6.738 1.00 50.04 H new ATOM 0 HG3 LYS A 64 8.626 -11.225 -7.951 1.00 50.04 H new ATOM 0 HD2 LYS A 64 9.192 -8.940 -7.120 1.00 23.43 H new ATOM 0 HD3 LYS A 64 7.935 -9.070 -5.907 1.00 23.43 H new ATOM 0 HE2 LYS A 64 10.338 -10.917 -6.120 1.00 70.12 H new ATOM 0 HE3 LYS A 64 10.218 -9.554 -5.026 1.00 70.12 H new ATOM 0 HZ1 LYS A 64 9.669 -11.513 -3.856 1.00 41.30 H new ATOM 0 HZ2 LYS A 64 8.234 -10.627 -4.055 1.00 41.30 H new ATOM 0 HZ3 LYS A 64 8.533 -11.988 -5.026 1.00 41.30 H new ATOM 1042 N ARG A 65 4.048 -11.605 -8.622 1.00 41.12 N ATOM 1043 CA ARG A 65 3.089 -12.635 -8.199 1.00 51.42 C ATOM 1044 C ARG A 65 2.890 -13.673 -9.311 1.00 63.25 C ATOM 1045 O ARG A 65 2.581 -14.827 -9.048 1.00 61.01 O ATOM 1046 CB ARG A 65 1.688 -12.074 -7.821 1.00 71.21 C ATOM 1047 CG ARG A 65 1.433 -11.651 -6.371 1.00 13.01 C ATOM 1048 CD ARG A 65 1.761 -10.200 -6.049 1.00 32.41 C ATOM 1049 NE ARG A 65 3.162 -9.835 -6.172 1.00 43.34 N ATOM 1050 CZ ARG A 65 4.036 -9.807 -5.159 1.00 34.34 C ATOM 1051 NH1 ARG A 65 3.720 -10.316 -3.981 1.00 13.03 N ATOM 1052 NH2 ARG A 65 5.220 -9.262 -5.333 1.00 60.20 N ATOM 0 H ARG A 65 3.637 -10.690 -8.805 1.00 41.12 H new ATOM 0 HA ARG A 65 3.527 -13.081 -7.306 1.00 51.42 H new ATOM 0 HB2 ARG A 65 1.495 -11.210 -8.456 1.00 71.21 H new ATOM 0 HB3 ARG A 65 0.948 -12.831 -8.080 1.00 71.21 H new ATOM 0 HG2 ARG A 65 0.383 -11.829 -6.137 1.00 13.01 H new ATOM 0 HG3 ARG A 65 2.020 -12.293 -5.714 1.00 13.01 H new ATOM 0 HD2 ARG A 65 1.177 -9.558 -6.709 1.00 32.41 H new ATOM 0 HD3 ARG A 65 1.436 -9.990 -5.030 1.00 32.41 H new ATOM 0 HE ARG A 65 3.505 -9.581 -7.099 1.00 43.34 H new ATOM 0 HH11 ARG A 65 2.802 -10.736 -3.837 1.00 13.03 H new ATOM 0 HH12 ARG A 65 4.394 -10.289 -3.216 1.00 13.03 H new ATOM 0 HH21 ARG A 65 5.470 -8.862 -6.238 1.00 60.20 H new ATOM 0 HH22 ARG A 65 5.889 -9.239 -4.563 1.00 60.20 H new ATOM 1066 N TYR A 66 3.055 -13.246 -10.545 1.00 64.42 N ATOM 1067 CA TYR A 66 2.838 -14.100 -11.701 1.00 52.15 C ATOM 1068 C TYR A 66 3.977 -15.113 -11.791 1.00 44.00 C ATOM 1069 O TYR A 66 3.752 -16.292 -12.050 1.00 61.32 O ATOM 1070 CB TYR A 66 2.787 -13.247 -12.963 1.00 51.35 C ATOM 1071 CG TYR A 66 2.111 -13.908 -14.125 1.00 71.14 C ATOM 1072 CD1 TYR A 66 2.688 -14.966 -14.798 1.00 13.12 C ATOM 1073 CD2 TYR A 66 0.872 -13.463 -14.543 1.00 70.21 C ATOM 1074 CE1 TYR A 66 2.050 -15.565 -15.857 1.00 22.11 C ATOM 1075 CE2 TYR A 66 0.227 -14.049 -15.593 1.00 44.51 C ATOM 1076 CZ TYR A 66 0.818 -15.109 -16.252 1.00 33.00 C ATOM 1077 OH TYR A 66 0.171 -15.711 -17.307 1.00 61.31 O ATOM 0 H TYR A 66 3.344 -12.296 -10.779 1.00 64.42 H new ATOM 0 HA TYR A 66 1.892 -14.631 -11.600 1.00 52.15 H new ATOM 0 HB2 TYR A 66 2.268 -12.315 -12.737 1.00 51.35 H new ATOM 0 HB3 TYR A 66 3.805 -12.983 -13.251 1.00 51.35 H new ATOM 0 HD1 TYR A 66 3.657 -15.329 -14.487 1.00 13.12 H new ATOM 0 HD2 TYR A 66 0.405 -12.636 -14.029 1.00 70.21 H new ATOM 0 HE1 TYR A 66 2.516 -16.390 -16.375 1.00 22.11 H new ATOM 0 HE2 TYR A 66 -0.740 -13.686 -15.907 1.00 44.51 H new ATOM 0 HH TYR A 66 -0.771 -15.442 -17.310 1.00 61.31 H new ATOM 1087 N GLU A 67 5.196 -14.633 -11.563 1.00 71.14 N ATOM 1088 CA GLU A 67 6.405 -15.482 -11.519 1.00 51.31 C ATOM 1089 C GLU A 67 6.225 -16.530 -10.479 1.00 53.42 C ATOM 1090 O GLU A 67 6.523 -17.701 -10.703 1.00 23.40 O ATOM 1091 CB GLU A 67 7.616 -14.628 -11.182 1.00 24.43 C ATOM 1092 CG GLU A 67 7.859 -13.519 -12.171 1.00 74.31 C ATOM 1093 CD GLU A 67 8.283 -14.030 -13.543 1.00 75.33 C ATOM 1094 OE1 GLU A 67 9.504 -14.207 -13.759 1.00 1.24 O ATOM 1095 OE2 GLU A 67 7.425 -14.253 -14.419 1.00 25.14 O ATOM 0 H GLU A 67 5.385 -13.644 -11.402 1.00 71.14 H new ATOM 0 HA GLU A 67 6.560 -15.952 -12.490 1.00 51.31 H new ATOM 0 HB2 GLU A 67 7.483 -14.197 -10.190 1.00 24.43 H new ATOM 0 HB3 GLU A 67 8.499 -15.265 -11.137 1.00 24.43 H new ATOM 0 HG2 GLU A 67 6.950 -12.926 -12.275 1.00 74.31 H new ATOM 0 HG3 GLU A 67 8.631 -12.855 -11.782 1.00 74.31 H new ATOM 1102 N GLN A 68 5.707 -16.111 -9.353 1.00 61.22 N ATOM 1103 CA GLN A 68 5.418 -17.022 -8.263 1.00 1.32 C ATOM 1104 C GLN A 68 4.419 -18.092 -8.679 1.00 45.14 C ATOM 1105 O GLN A 68 4.536 -19.215 -8.267 1.00 25.11 O ATOM 1106 CB GLN A 68 4.940 -16.287 -7.012 1.00 54.40 C ATOM 1107 CG GLN A 68 5.996 -15.398 -6.383 1.00 0.21 C ATOM 1108 CD GLN A 68 7.241 -16.169 -5.986 1.00 74.34 C ATOM 1109 OE1 GLN A 68 8.186 -16.304 -6.767 1.00 4.45 O ATOM 1110 NE2 GLN A 68 7.251 -16.682 -4.784 1.00 23.10 N ATOM 0 H GLN A 68 5.473 -15.137 -9.161 1.00 61.22 H new ATOM 0 HA GLN A 68 6.356 -17.517 -8.012 1.00 1.32 H new ATOM 0 HB2 GLN A 68 4.072 -15.679 -7.268 1.00 54.40 H new ATOM 0 HB3 GLN A 68 4.610 -17.020 -6.276 1.00 54.40 H new ATOM 0 HG2 GLN A 68 6.269 -14.610 -7.085 1.00 0.21 H new ATOM 0 HG3 GLN A 68 5.578 -14.910 -5.502 1.00 0.21 H new ATOM 0 HE21 GLN A 68 6.450 -16.549 -4.166 1.00 23.10 H new ATOM 0 HE22 GLN A 68 8.059 -17.215 -4.464 1.00 23.10 H new ATOM 1119 N GLU A 69 3.450 -17.728 -9.505 1.00 43.44 N ATOM 1120 CA GLU A 69 2.462 -18.681 -10.009 1.00 31.34 C ATOM 1121 C GLU A 69 2.997 -19.612 -11.096 1.00 50.33 C ATOM 1122 O GLU A 69 2.576 -20.762 -11.207 1.00 73.31 O ATOM 1123 CB GLU A 69 1.195 -18.007 -10.432 1.00 3.41 C ATOM 1124 CG GLU A 69 0.454 -17.398 -9.276 1.00 21.13 C ATOM 1125 CD GLU A 69 0.076 -18.415 -8.203 1.00 22.12 C ATOM 1126 OE1 GLU A 69 -0.720 -19.336 -8.496 1.00 42.43 O ATOM 1127 OE2 GLU A 69 0.561 -18.308 -7.058 1.00 52.52 O ATOM 0 H GLU A 69 3.323 -16.775 -9.845 1.00 43.44 H new ATOM 0 HA GLU A 69 2.228 -19.325 -9.161 1.00 31.34 H new ATOM 0 HB2 GLU A 69 1.426 -17.230 -11.161 1.00 3.41 H new ATOM 0 HB3 GLU A 69 0.551 -18.731 -10.931 1.00 3.41 H new ATOM 0 HG2 GLU A 69 1.070 -16.618 -8.828 1.00 21.13 H new ATOM 0 HG3 GLU A 69 -0.451 -16.916 -9.646 1.00 21.13 H new