USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 77 GLN : amide:sc= 0.361 K(o=0.73,f=-0.02) USER MOD Set 1.2: A 78 ASN : amide:sc= 0.366 K(o=0.73,f=-0.02) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 134:sc= -0.548 (180deg=-2.56!) USER MOD Set 2.2: A 32 TYR OH : rot 30:sc= -0.03 USER MOD Set 3.1: A 7 SER OG : rot 151:sc= 0.471 USER MOD Set 3.2: A 74 GLN : amide:sc= -2.22 X(o=-1.7,f=-2.1!) USER MOD Set 4.1: A 4 HIS : no HD1:sc= -0.0252 X(o=-0.024,f=-0.3) USER MOD Set 4.2: A 76 SER OG : rot 167:sc= 0.00153 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0073 X(o=-0.0073,f=-0.014) USER MOD Single : A 5 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=-0.072) USER MOD Single : A 6 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 8 HIS : no HE2:sc= -0.983 X(o=-0.98,f=-1.1) USER MOD Single : A 9 MET CE :methyl -174:sc= -0.152 (180deg=-0.207) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0.163 K(o=0.16,f=-0.71) USER MOD Single : A 20 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.26) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 37 THR OG1 : rot 22:sc= -1.24 USER MOD Single : A 38 THR OG1 : rot -151:sc= 0.549 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0642) USER MOD Single : A 52 HIS : no HD1:sc=-0.00874 X(o=-0.0087,f=-0.38) USER MOD Single : A 55 HIS : no HE2:sc= 0.151 K(o=0.15,f=-0.9) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0756 (180deg=-0.385) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.184 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -13.132 -14.774 4.579 1.00 75.00 N ATOM 2 CA HIS A 1 -12.128 -15.148 3.552 1.00 75.00 C ATOM 3 C HIS A 1 -10.707 -15.106 4.144 1.00 75.00 C ATOM 4 O HIS A 1 -9.948 -14.158 3.913 1.00 75.00 O ATOM 5 CB HIS A 1 -12.252 -14.239 2.293 1.00 75.00 C ATOM 6 CG HIS A 1 -13.480 -14.498 1.459 1.00 75.00 C ATOM 7 ND1 HIS A 1 -13.520 -15.476 0.491 1.00 75.00 N ATOM 8 CD2 HIS A 1 -14.707 -13.918 1.446 1.00 75.00 C ATOM 9 CE1 HIS A 1 -14.707 -15.484 -0.077 1.00 75.00 C ATOM 10 NE2 HIS A 1 -15.449 -14.550 0.484 1.00 75.00 N ATOM 0 H1 HIS A 1 -14.084 -14.808 4.162 1.00 75.00 H new ATOM 0 H2 HIS A 1 -13.079 -15.441 5.375 1.00 75.00 H new ATOM 0 H3 HIS A 1 -12.937 -13.811 4.920 1.00 75.00 H new ATOM 0 HA HIS A 1 -12.326 -16.172 3.234 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -12.257 -13.196 2.611 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -11.368 -14.378 1.670 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -15.037 -13.107 2.078 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -15.021 -16.146 -0.871 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -16.416 -14.334 0.242 1.00 75.00 H new ATOM 21 N HIS A 2 -10.370 -16.132 4.952 1.00 75.00 N ATOM 22 CA HIS A 2 -9.009 -16.333 5.473 1.00 75.00 C ATOM 23 C HIS A 2 -8.205 -17.152 4.454 1.00 75.00 C ATOM 24 O HIS A 2 -8.365 -18.376 4.364 1.00 75.00 O ATOM 25 CB HIS A 2 -9.033 -17.040 6.857 1.00 75.00 C ATOM 26 CG HIS A 2 -7.662 -17.238 7.467 1.00 75.00 C ATOM 27 ND1 HIS A 2 -6.972 -16.224 8.094 1.00 75.00 N ATOM 28 CD2 HIS A 2 -6.840 -18.321 7.507 1.00 75.00 C ATOM 29 CE1 HIS A 2 -5.796 -16.669 8.487 1.00 75.00 C ATOM 30 NE2 HIS A 2 -5.692 -17.934 8.145 1.00 75.00 N ATOM 0 H HIS A 2 -11.035 -16.842 5.259 1.00 75.00 H new ATOM 0 HA HIS A 2 -8.534 -15.363 5.618 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -9.644 -16.454 7.543 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -9.516 -18.011 6.750 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -7.053 -19.302 7.110 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -5.044 -16.091 9.003 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -4.885 -18.532 8.326 1.00 75.00 H new ATOM 39 N HIS A 3 -7.366 -16.465 3.676 1.00 75.00 N ATOM 40 CA HIS A 3 -6.497 -17.089 2.662 1.00 75.00 C ATOM 41 C HIS A 3 -5.080 -16.509 2.753 1.00 75.00 C ATOM 42 O HIS A 3 -4.877 -15.410 3.284 1.00 75.00 O ATOM 43 CB HIS A 3 -7.086 -16.902 1.235 1.00 75.00 C ATOM 44 CG HIS A 3 -7.223 -15.464 0.778 1.00 75.00 C ATOM 45 ND1 HIS A 3 -6.366 -14.875 -0.126 1.00 75.00 N ATOM 46 CD2 HIS A 3 -8.136 -14.512 1.093 1.00 75.00 C ATOM 47 CE1 HIS A 3 -6.745 -13.633 -0.346 1.00 75.00 C ATOM 48 NE2 HIS A 3 -7.814 -13.388 0.380 1.00 75.00 N ATOM 0 H HIS A 3 -7.266 -15.451 3.728 1.00 75.00 H new ATOM 0 HA HIS A 3 -6.445 -18.160 2.860 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -6.452 -17.433 0.525 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -8.068 -17.373 1.200 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -8.963 -14.620 1.779 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -6.260 -12.934 -1.011 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -8.321 -12.504 0.408 1.00 75.00 H new ATOM 57 N HIS A 4 -4.118 -17.276 2.229 1.00 75.00 N ATOM 58 CA HIS A 4 -2.695 -16.921 2.212 1.00 75.00 C ATOM 59 C HIS A 4 -2.008 -17.568 0.995 1.00 75.00 C ATOM 60 O HIS A 4 -2.486 -18.589 0.473 1.00 75.00 O ATOM 61 CB HIS A 4 -2.007 -17.340 3.545 1.00 75.00 C ATOM 62 CG HIS A 4 -2.030 -18.819 3.860 1.00 75.00 C ATOM 63 ND1 HIS A 4 -2.844 -19.371 4.822 1.00 75.00 N ATOM 64 CD2 HIS A 4 -1.317 -19.850 3.349 1.00 75.00 C ATOM 65 CE1 HIS A 4 -2.626 -20.666 4.882 1.00 75.00 C ATOM 66 NE2 HIS A 4 -1.707 -20.978 4.002 1.00 75.00 N ATOM 0 H HIS A 4 -4.311 -18.179 1.796 1.00 75.00 H new ATOM 0 HA HIS A 4 -2.599 -15.839 2.122 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -0.969 -17.010 3.516 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -2.488 -16.806 4.364 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -0.575 -19.788 2.567 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -3.122 -21.358 5.546 1.00 75.00 H new ATOM 0 HE2 HIS A 4 -1.343 -21.916 3.834 1.00 75.00 H new ATOM 75 N HIS A 5 -0.898 -16.959 0.549 1.00 75.00 N ATOM 76 CA HIS A 5 -0.085 -17.471 -0.574 1.00 75.00 C ATOM 77 C HIS A 5 1.300 -16.814 -0.510 1.00 75.00 C ATOM 78 O HIS A 5 1.863 -16.387 -1.528 1.00 75.00 O ATOM 79 CB HIS A 5 -0.811 -17.197 -1.926 1.00 75.00 C ATOM 80 CG HIS A 5 -0.196 -17.874 -3.130 1.00 75.00 C ATOM 81 ND1 HIS A 5 -0.221 -19.237 -3.312 1.00 75.00 N ATOM 82 CD2 HIS A 5 0.472 -17.374 -4.194 1.00 75.00 C ATOM 83 CE1 HIS A 5 0.405 -19.543 -4.428 1.00 75.00 C ATOM 84 NE2 HIS A 5 0.834 -18.434 -4.985 1.00 75.00 N ATOM 0 H HIS A 5 -0.536 -16.096 0.955 1.00 75.00 H new ATOM 0 HA HIS A 5 0.044 -18.551 -0.499 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -1.848 -17.520 -1.836 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -0.827 -16.121 -2.101 1.00 75.00 H new ATOM 0 HD2 HIS A 5 0.682 -16.332 -4.386 1.00 75.00 H new ATOM 0 HE1 HIS A 5 0.543 -20.540 -4.820 1.00 75.00 H new ATOM 0 HE2 HIS A 5 1.351 -18.371 -5.862 1.00 75.00 H new ATOM 93 N HIS A 6 1.834 -16.752 0.732 1.00 75.00 N ATOM 94 CA HIS A 6 3.057 -15.994 1.083 1.00 75.00 C ATOM 95 C HIS A 6 2.820 -14.467 0.943 1.00 75.00 C ATOM 96 O HIS A 6 1.967 -14.018 0.164 1.00 75.00 O ATOM 97 CB HIS A 6 4.295 -16.456 0.250 1.00 75.00 C ATOM 98 CG HIS A 6 5.552 -15.662 0.509 1.00 75.00 C ATOM 99 ND1 HIS A 6 6.027 -14.694 -0.350 1.00 75.00 N ATOM 100 CD2 HIS A 6 6.395 -15.660 1.566 1.00 75.00 C ATOM 101 CE1 HIS A 6 7.103 -14.137 0.167 1.00 75.00 C ATOM 102 NE2 HIS A 6 7.342 -14.707 1.329 1.00 75.00 N ATOM 0 H HIS A 6 1.421 -17.235 1.530 1.00 75.00 H new ATOM 0 HA HIS A 6 3.283 -16.208 2.128 1.00 75.00 H new ATOM 0 HB2 HIS A 6 4.492 -17.506 0.466 1.00 75.00 H new ATOM 0 HB3 HIS A 6 4.050 -16.390 -0.810 1.00 75.00 H new ATOM 0 HD2 HIS A 6 6.331 -16.295 2.437 1.00 75.00 H new ATOM 0 HE1 HIS A 6 7.688 -13.349 -0.284 1.00 75.00 H new ATOM 0 HE2 HIS A 6 8.114 -14.473 1.954 1.00 75.00 H new ATOM 111 N SER A 7 3.576 -13.676 1.722 1.00 75.00 N ATOM 112 CA SER A 7 3.513 -12.219 1.665 1.00 75.00 C ATOM 113 C SER A 7 4.781 -11.574 2.234 1.00 75.00 C ATOM 114 O SER A 7 5.728 -12.259 2.640 1.00 75.00 O ATOM 115 CB SER A 7 2.259 -11.729 2.431 1.00 75.00 C ATOM 116 OG SER A 7 2.253 -12.173 3.779 1.00 75.00 O ATOM 0 H SER A 7 4.244 -14.034 2.405 1.00 75.00 H new ATOM 0 HA SER A 7 3.442 -11.918 0.620 1.00 75.00 H new ATOM 0 HB2 SER A 7 2.222 -10.640 2.408 1.00 75.00 H new ATOM 0 HB3 SER A 7 1.362 -12.089 1.927 1.00 75.00 H new ATOM 0 HG SER A 7 1.766 -11.529 4.334 1.00 75.00 H new ATOM 122 N HIS A 8 4.782 -10.227 2.198 1.00 50.00 N ATOM 123 CA HIS A 8 5.645 -9.377 3.039 1.00 50.00 C ATOM 124 C HIS A 8 5.155 -9.503 4.488 1.00 50.00 C ATOM 125 O HIS A 8 4.012 -9.964 4.698 1.00 50.00 O ATOM 126 CB HIS A 8 5.567 -7.896 2.576 1.00 50.00 C ATOM 127 CG HIS A 8 6.149 -7.620 1.213 1.00 50.00 C ATOM 128 ND1 HIS A 8 7.066 -6.621 0.986 1.00 75.00 N ATOM 129 CD2 HIS A 8 5.911 -8.183 0.007 1.00 75.00 C ATOM 130 CE1 HIS A 8 7.366 -6.580 -0.292 1.00 75.00 C ATOM 131 NE2 HIS A 8 6.678 -7.519 -0.908 1.00 75.00 N ATOM 0 H HIS A 8 4.175 -9.693 1.576 1.00 50.00 H new ATOM 0 HA HIS A 8 6.684 -9.698 2.957 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.522 -7.586 2.577 1.00 50.00 H new ATOM 0 HB3 HIS A 8 6.085 -7.275 3.307 1.00 50.00 H new ATOM 0 HD1 HIS A 8 7.454 -6.006 1.701 1.00 75.00 H new ATOM 0 HD2 HIS A 8 5.240 -9.004 -0.195 1.00 75.00 H new ATOM 0 HE1 HIS A 8 8.058 -5.894 -0.758 1.00 75.00 H new ATOM 140 N MET A 9 5.999 -9.123 5.484 1.00 10.00 N ATOM 141 CA MET A 9 5.629 -9.259 6.911 1.00 10.00 C ATOM 142 C MET A 9 4.280 -8.556 7.167 1.00 10.00 C ATOM 143 O MET A 9 4.037 -7.452 6.664 1.00 50.00 O ATOM 144 CB MET A 9 6.710 -8.692 7.890 1.00 50.00 C ATOM 145 CG MET A 9 6.847 -7.154 7.929 1.00 50.00 C ATOM 146 SD MET A 9 7.874 -6.594 9.303 1.00 50.00 S ATOM 147 CE MET A 9 7.471 -4.845 9.390 1.00 75.00 C ATOM 0 H MET A 9 6.925 -8.727 5.325 1.00 10.00 H new ATOM 0 HA MET A 9 5.551 -10.327 7.113 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.480 -9.042 8.896 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.676 -9.116 7.618 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.278 -6.806 6.990 1.00 50.00 H new ATOM 0 HG3 MET A 9 5.857 -6.705 8.011 1.00 50.00 H new ATOM 0 HE1 MET A 9 8.114 -4.360 10.124 1.00 75.00 H new ATOM 0 HE2 MET A 9 7.626 -4.387 8.413 1.00 75.00 H new ATOM 0 HE3 MET A 9 6.429 -4.726 9.685 1.00 75.00 H new ATOM 157 N VAL A 10 3.380 -9.248 7.864 1.00 10.00 N ATOM 158 CA VAL A 10 2.080 -8.694 8.261 1.00 10.00 C ATOM 159 C VAL A 10 2.309 -7.499 9.221 1.00 10.00 C ATOM 160 O VAL A 10 2.684 -7.681 10.382 1.00 50.00 O ATOM 161 CB VAL A 10 1.174 -9.822 8.896 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.563 -10.736 7.803 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.977 -10.678 9.902 1.00 50.00 C ATOM 0 H VAL A 10 3.529 -10.209 8.171 1.00 10.00 H new ATOM 0 HA VAL A 10 1.545 -8.321 7.388 1.00 10.00 H new ATOM 0 HB VAL A 10 0.362 -9.323 9.426 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.055 -11.502 8.272 1.00 50.00 H new ATOM 0 HG12 VAL A 10 -0.050 -10.138 7.129 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.364 -11.212 7.238 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.329 -11.447 10.324 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.815 -11.151 9.390 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.354 -10.041 10.702 1.00 50.00 H new ATOM 173 N GLY A 11 2.090 -6.276 8.696 1.00 10.00 N ATOM 174 CA GLY A 11 2.512 -5.045 9.365 1.00 10.00 C ATOM 175 C GLY A 11 3.568 -4.260 8.575 1.00 10.00 C ATOM 176 O GLY A 11 4.135 -3.300 9.117 1.00 50.00 O ATOM 0 H GLY A 11 1.619 -6.123 7.804 1.00 10.00 H new ATOM 0 HA2 GLY A 11 1.641 -4.410 9.526 1.00 10.00 H new ATOM 0 HA3 GLY A 11 2.912 -5.292 10.348 1.00 10.00 H new ATOM 180 N ASP A 12 3.843 -4.668 7.307 1.00 10.00 N ATOM 181 CA ASP A 12 4.916 -4.060 6.470 1.00 10.00 C ATOM 182 C ASP A 12 4.643 -2.563 6.202 1.00 10.00 C ATOM 183 O ASP A 12 3.558 -2.196 5.767 1.00 50.00 O ATOM 184 CB ASP A 12 5.067 -4.796 5.103 1.00 50.00 C ATOM 185 CG ASP A 12 6.322 -4.385 4.282 1.00 50.00 C ATOM 186 OD1 ASP A 12 7.175 -3.611 4.767 1.00 50.00 O ATOM 187 OD2 ASP A 12 6.441 -4.805 3.121 1.00 50.00 O ATOM 0 H ASP A 12 3.334 -5.419 6.840 1.00 10.00 H new ATOM 0 HA ASP A 12 5.842 -4.163 7.035 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.104 -5.870 5.286 1.00 50.00 H new ATOM 0 HB3 ASP A 12 4.178 -4.605 4.502 1.00 50.00 H new ATOM 192 N THR A 13 5.668 -1.725 6.404 1.00 10.00 N ATOM 193 CA THR A 13 5.547 -0.266 6.327 1.00 10.00 C ATOM 194 C THR A 13 5.631 0.215 4.863 1.00 10.00 C ATOM 195 O THR A 13 6.701 0.198 4.242 1.00 50.00 O ATOM 196 CB THR A 13 6.658 0.387 7.195 1.00 50.00 C ATOM 197 OG1 THR A 13 6.637 -0.247 8.484 1.00 50.00 O ATOM 198 CG2 THR A 13 6.464 1.913 7.355 1.00 50.00 C ATOM 0 H THR A 13 6.611 -2.044 6.627 1.00 10.00 H new ATOM 0 HA THR A 13 4.573 0.035 6.713 1.00 10.00 H new ATOM 0 HB THR A 13 7.618 0.247 6.699 1.00 50.00 H new ATOM 0 HG1 THR A 13 7.331 0.146 9.053 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.267 2.319 7.970 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.483 2.387 6.374 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.505 2.110 7.834 1.00 50.00 H new ATOM 206 N VAL A 14 4.470 0.621 4.322 1.00 10.00 N ATOM 207 CA VAL A 14 4.326 1.163 2.957 1.00 10.00 C ATOM 208 C VAL A 14 3.501 2.461 2.994 1.00 10.00 C ATOM 209 O VAL A 14 3.090 2.928 4.059 1.00 50.00 O ATOM 210 CB VAL A 14 3.645 0.134 1.963 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.437 -1.192 1.880 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.156 -0.104 2.332 1.00 50.00 C ATOM 0 H VAL A 14 3.587 0.581 4.830 1.00 10.00 H new ATOM 0 HA VAL A 14 5.331 1.363 2.585 1.00 10.00 H new ATOM 0 HB VAL A 14 3.666 0.577 0.967 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.938 -1.871 1.189 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.448 -0.991 1.525 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.484 -1.650 2.868 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.717 -0.814 1.632 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.091 -0.504 3.344 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.613 0.840 2.280 1.00 50.00 H new ATOM 222 N TRP A 15 3.273 3.014 1.807 1.00 10.00 N ATOM 223 CA TRP A 15 2.415 4.169 1.563 1.00 10.00 C ATOM 224 C TRP A 15 1.431 3.787 0.451 1.00 10.00 C ATOM 225 O TRP A 15 1.728 2.912 -0.374 1.00 50.00 O ATOM 226 CB TRP A 15 3.269 5.396 1.116 1.00 50.00 C ATOM 227 CG TRP A 15 4.217 5.944 2.168 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.034 5.974 3.523 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.503 6.541 1.936 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.112 6.556 4.137 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.026 6.914 3.185 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.252 6.799 0.793 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.268 7.527 3.318 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.486 7.407 0.918 1.00 50.00 C ATOM 235 CH2 TRP A 15 7.982 7.771 2.173 1.00 50.00 C ATOM 0 H TRP A 15 3.699 2.655 0.953 1.00 10.00 H new ATOM 0 HA TRP A 15 1.883 4.443 2.474 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.850 5.113 0.239 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.594 6.194 0.807 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.163 5.593 4.036 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.216 6.699 5.142 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.873 6.527 -0.181 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.656 7.801 4.288 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.075 7.604 0.035 1.00 50.00 H new ATOM 0 HH2 TRP A 15 8.946 8.254 2.242 1.00 50.00 H new ATOM 246 N VAL A 16 0.262 4.441 0.428 1.00 10.00 N ATOM 247 CA VAL A 16 -0.700 4.309 -0.674 1.00 10.00 C ATOM 248 C VAL A 16 -0.681 5.619 -1.474 1.00 10.00 C ATOM 249 O VAL A 16 -1.104 6.678 -0.988 1.00 50.00 O ATOM 250 CB VAL A 16 -2.163 3.952 -0.195 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.173 3.986 -1.378 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.176 2.562 0.487 1.00 50.00 C ATOM 0 H VAL A 16 -0.042 5.073 1.168 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.397 3.468 -1.298 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.474 4.706 0.528 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.169 3.736 -1.013 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.187 4.984 -1.816 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.871 3.262 -2.135 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.189 2.326 0.813 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.838 1.806 -0.221 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.511 2.574 1.350 1.00 50.00 H new ATOM 262 N ARG A 17 -0.100 5.534 -2.672 1.00 10.00 N ATOM 263 CA ARG A 17 0.004 6.631 -3.617 1.00 10.00 C ATOM 264 C ARG A 17 -1.307 6.749 -4.409 1.00 10.00 C ATOM 265 O ARG A 17 -1.522 6.031 -5.393 1.00 50.00 O ATOM 266 CB ARG A 17 1.228 6.390 -4.534 1.00 50.00 C ATOM 267 CG ARG A 17 1.581 7.563 -5.464 1.00 50.00 C ATOM 268 CD ARG A 17 2.815 7.269 -6.329 1.00 50.00 C ATOM 269 NE ARG A 17 2.632 6.083 -7.185 1.00 50.00 N ATOM 270 CZ ARG A 17 3.499 5.668 -8.122 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.635 6.331 -8.354 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.219 4.583 -8.825 1.00 75.00 N ATOM 0 H ARG A 17 0.322 4.671 -3.015 1.00 10.00 H new ATOM 0 HA ARG A 17 0.157 7.578 -3.099 1.00 10.00 H new ATOM 0 HB2 ARG A 17 2.093 6.167 -3.910 1.00 50.00 H new ATOM 0 HB3 ARG A 17 1.039 5.506 -5.143 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.730 7.780 -6.110 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.763 8.456 -4.866 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.032 8.135 -6.954 1.00 50.00 H new ATOM 0 HD3 ARG A 17 3.680 7.118 -5.683 1.00 50.00 H new ATOM 0 HE ARG A 17 1.781 5.536 -7.055 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.856 7.168 -7.815 1.00 75.00 H new ATOM 0 HH12 ARG A 17 5.281 6.000 -9.070 1.00 75.00 H new ATOM 0 HH21 ARG A 17 2.353 4.073 -8.652 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.869 4.257 -9.540 1.00 75.00 H new ATOM 286 N ARG A 18 -2.209 7.617 -3.928 1.00 10.00 N ATOM 287 CA ARG A 18 -3.520 7.826 -4.546 1.00 10.00 C ATOM 288 C ARG A 18 -3.361 8.701 -5.798 1.00 10.00 C ATOM 289 O ARG A 18 -2.993 9.882 -5.693 1.00 50.00 O ATOM 290 CB ARG A 18 -4.513 8.488 -3.542 1.00 50.00 C ATOM 291 CG ARG A 18 -5.951 8.656 -4.099 1.00 50.00 C ATOM 292 CD ARG A 18 -6.901 9.400 -3.144 1.00 50.00 C ATOM 293 NE ARG A 18 -8.282 9.473 -3.673 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.205 10.402 -3.337 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.918 11.369 -2.465 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.428 10.337 -3.849 1.00 75.00 N ATOM 0 H ARG A 18 -2.047 8.191 -3.101 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.932 6.858 -4.831 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.553 7.885 -2.635 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.128 9.467 -3.257 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -5.904 9.196 -5.045 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.365 7.671 -4.315 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.910 8.896 -2.178 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.525 10.409 -2.974 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.561 8.762 -4.349 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -7.991 11.415 -2.041 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.625 12.063 -2.222 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.671 9.586 -4.496 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -11.125 11.038 -3.596 1.00 75.00 H new ATOM 310 N HIS A 19 -3.599 8.109 -6.982 1.00 50.00 N ATOM 311 CA HIS A 19 -3.609 8.857 -8.245 1.00 50.00 C ATOM 312 C HIS A 19 -4.922 9.632 -8.360 1.00 50.00 C ATOM 313 O HIS A 19 -5.996 9.068 -8.161 1.00 75.00 O ATOM 314 CB HIS A 19 -3.419 7.932 -9.477 1.00 75.00 C ATOM 315 CG HIS A 19 -3.384 8.670 -10.803 1.00 75.00 C ATOM 316 ND1 HIS A 19 -4.157 8.318 -11.885 1.00 75.00 N ATOM 317 CD2 HIS A 19 -2.668 9.755 -11.203 1.00 75.00 C ATOM 318 CE1 HIS A 19 -3.923 9.145 -12.887 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.023 10.024 -12.497 1.00 75.00 N ATOM 0 H HIS A 19 -3.787 7.112 -7.087 1.00 50.00 H new ATOM 0 HA HIS A 19 -2.766 9.548 -8.235 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -2.491 7.373 -9.359 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -4.229 7.203 -9.500 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -1.952 10.303 -10.609 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -4.390 9.107 -13.860 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -2.651 10.783 -13.068 1.00 75.00 H new ATOM 328 N GLN A 20 -4.820 10.927 -8.684 1.00 75.00 N ATOM 329 CA GLN A 20 -5.985 11.776 -8.974 1.00 75.00 C ATOM 330 C GLN A 20 -6.467 11.508 -10.421 1.00 75.00 C ATOM 331 O GLN A 20 -6.250 10.408 -10.952 1.00 75.00 O ATOM 332 CB GLN A 20 -5.611 13.264 -8.721 1.00 75.00 C ATOM 333 CG GLN A 20 -5.058 13.544 -7.304 1.00 75.00 C ATOM 334 CD GLN A 20 -5.998 13.117 -6.160 1.00 75.00 C ATOM 335 OE1 GLN A 20 -7.221 13.114 -6.292 1.00 75.00 O ATOM 336 NE2 GLN A 20 -5.427 12.769 -5.018 1.00 75.00 N ATOM 0 H GLN A 20 -3.928 11.417 -8.753 1.00 75.00 H new ATOM 0 HA GLN A 20 -6.817 11.538 -8.311 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -4.867 13.571 -9.457 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -6.494 13.882 -8.883 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -4.106 13.025 -7.189 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -4.853 14.610 -7.211 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -4.411 12.779 -4.932 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -6.003 12.491 -4.224 1.00 75.00 H new ATOM 345 N THR A 21 -7.154 12.476 -11.053 1.00 75.00 N ATOM 346 CA THR A 21 -7.747 12.281 -12.395 1.00 75.00 C ATOM 347 C THR A 21 -6.636 12.143 -13.496 1.00 75.00 C ATOM 348 O THR A 21 -5.448 12.289 -13.186 1.00 75.00 O ATOM 349 CB THR A 21 -8.765 13.441 -12.704 1.00 75.00 C ATOM 350 OG1 THR A 21 -9.480 13.798 -11.503 1.00 75.00 O ATOM 351 CG2 THR A 21 -9.804 13.047 -13.775 1.00 75.00 C ATOM 0 H THR A 21 -7.314 13.403 -10.659 1.00 75.00 H new ATOM 0 HA THR A 21 -8.302 11.343 -12.406 1.00 75.00 H new ATOM 0 HB THR A 21 -8.178 14.279 -13.081 1.00 75.00 H new ATOM 0 HG1 THR A 21 -10.111 14.521 -11.701 1.00 75.00 H new ATOM 0 HG21 THR A 21 -10.481 13.883 -13.950 1.00 75.00 H new ATOM 0 HG22 THR A 21 -9.292 12.795 -14.703 1.00 75.00 H new ATOM 0 HG23 THR A 21 -10.374 12.185 -13.429 1.00 75.00 H new ATOM 359 N LYS A 22 -7.031 11.827 -14.755 1.00 75.00 N ATOM 360 CA LYS A 22 -6.097 11.536 -15.878 1.00 75.00 C ATOM 361 C LYS A 22 -5.036 12.644 -16.075 1.00 75.00 C ATOM 362 O LYS A 22 -3.833 12.369 -16.114 1.00 75.00 O ATOM 363 CB LYS A 22 -6.890 11.368 -17.203 1.00 75.00 C ATOM 364 CG LYS A 22 -8.040 10.333 -17.146 1.00 75.00 C ATOM 365 CD LYS A 22 -8.873 10.291 -18.453 1.00 75.00 C ATOM 366 CE LYS A 22 -9.516 11.648 -18.790 1.00 75.00 C ATOM 367 NZ LYS A 22 -10.281 11.606 -20.064 1.00 75.00 N ATOM 0 H LYS A 22 -8.013 11.766 -15.024 1.00 75.00 H new ATOM 0 HA LYS A 22 -5.578 10.613 -15.618 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -7.305 12.335 -17.487 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -6.196 11.075 -17.991 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -7.624 9.344 -16.953 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -8.697 10.571 -16.309 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -8.231 9.982 -19.278 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -9.654 9.537 -18.357 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -10.181 11.945 -17.979 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -8.739 12.409 -18.860 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -10.696 12.541 -20.251 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -9.643 11.349 -20.844 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -11.040 10.899 -19.990 1.00 75.00 H new ATOM 381 N ASN A 23 -5.509 13.903 -16.150 1.00 75.00 N ATOM 382 CA ASN A 23 -4.645 15.083 -16.403 1.00 75.00 C ATOM 383 C ASN A 23 -3.952 15.570 -15.110 1.00 50.00 C ATOM 384 O ASN A 23 -3.230 16.572 -15.122 1.00 50.00 O ATOM 385 CB ASN A 23 -5.475 16.245 -17.032 1.00 50.00 C ATOM 386 CG ASN A 23 -6.278 15.845 -18.282 1.00 75.00 C ATOM 387 OD1 ASN A 23 -5.903 14.935 -19.026 1.00 75.00 O ATOM 388 ND2 ASN A 23 -7.379 16.543 -18.535 1.00 75.00 N ATOM 0 H ASN A 23 -6.496 14.135 -16.038 1.00 75.00 H new ATOM 0 HA ASN A 23 -3.871 14.775 -17.105 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -6.163 16.632 -16.281 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.799 17.059 -17.294 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -7.938 16.332 -19.362 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -7.666 17.290 -17.903 1.00 75.00 H new ATOM 395 N LEU A 24 -4.186 14.858 -13.995 1.00 10.00 N ATOM 396 CA LEU A 24 -3.609 15.176 -12.677 1.00 50.00 C ATOM 397 C LEU A 24 -2.613 14.080 -12.249 1.00 50.00 C ATOM 398 O LEU A 24 -2.686 12.936 -12.711 1.00 50.00 O ATOM 399 CB LEU A 24 -4.743 15.337 -11.622 1.00 50.00 C ATOM 400 CG LEU A 24 -5.815 16.435 -11.921 1.00 75.00 C ATOM 401 CD1 LEU A 24 -6.893 16.473 -10.816 1.00 75.00 C ATOM 402 CD2 LEU A 24 -5.168 17.826 -12.118 1.00 75.00 C ATOM 0 H LEU A 24 -4.789 14.035 -13.983 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.067 16.119 -12.746 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -5.253 14.379 -11.519 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -4.285 15.559 -10.658 1.00 50.00 H new ATOM 0 HG LEU A 24 -6.303 16.168 -12.858 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -7.626 17.245 -11.049 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -7.391 15.505 -10.760 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -6.424 16.695 -9.858 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -5.945 18.563 -12.324 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -4.630 18.109 -11.213 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -4.472 17.788 -12.956 1.00 75.00 H new ATOM 414 N GLU A 25 -1.700 14.456 -11.348 1.00 50.00 N ATOM 415 CA GLU A 25 -0.616 13.594 -10.840 1.00 10.00 C ATOM 416 C GLU A 25 -1.040 12.898 -9.518 1.00 10.00 C ATOM 417 O GLU A 25 -2.024 13.320 -8.892 1.00 50.00 O ATOM 418 CB GLU A 25 0.657 14.466 -10.639 1.00 50.00 C ATOM 419 CG GLU A 25 1.193 15.107 -11.940 1.00 50.00 C ATOM 420 CD GLU A 25 2.451 15.959 -11.706 1.00 75.00 C ATOM 421 OE1 GLU A 25 2.323 17.155 -11.394 1.00 75.00 O ATOM 422 OE2 GLU A 25 3.574 15.430 -11.806 1.00 75.00 O ATOM 0 H GLU A 25 -1.690 15.390 -10.939 1.00 50.00 H new ATOM 0 HA GLU A 25 -0.401 12.805 -11.561 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.434 15.256 -9.922 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.441 13.849 -10.200 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.420 14.321 -12.661 1.00 50.00 H new ATOM 0 HG3 GLU A 25 0.414 15.729 -12.381 1.00 50.00 H new ATOM 429 N PRO A 26 -0.335 11.794 -9.079 1.00 10.00 N ATOM 430 CA PRO A 26 -0.638 11.110 -7.800 1.00 50.00 C ATOM 431 C PRO A 26 0.019 11.777 -6.564 1.00 10.00 C ATOM 432 O PRO A 26 0.836 12.697 -6.695 1.00 50.00 O ATOM 433 CB PRO A 26 -0.079 9.690 -8.050 1.00 50.00 C ATOM 434 CG PRO A 26 1.110 9.902 -8.936 1.00 50.00 C ATOM 435 CD PRO A 26 0.770 11.099 -9.814 1.00 50.00 C ATOM 0 HA PRO A 26 -1.700 11.138 -7.556 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.204 9.205 -7.116 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -0.821 9.051 -8.528 1.00 50.00 H new ATOM 0 HG2 PRO A 26 2.007 10.092 -8.347 1.00 50.00 H new ATOM 0 HG3 PRO A 26 1.308 9.018 -9.541 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.632 11.753 -9.947 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.451 10.786 -10.808 1.00 50.00 H new ATOM 443 N ARG A 27 -0.361 11.292 -5.369 1.00 10.00 N ATOM 444 CA ARG A 27 0.189 11.743 -4.079 1.00 10.00 C ATOM 445 C ARG A 27 0.035 10.613 -3.054 1.00 10.00 C ATOM 446 O ARG A 27 -1.059 10.056 -2.911 1.00 50.00 O ATOM 447 CB ARG A 27 -0.541 13.025 -3.582 1.00 50.00 C ATOM 448 CG ARG A 27 0.026 13.625 -2.264 1.00 50.00 C ATOM 449 CD ARG A 27 -0.667 14.941 -1.868 1.00 50.00 C ATOM 450 NE ARG A 27 -0.552 15.961 -2.927 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.205 17.136 -2.958 1.00 75.00 C ATOM 452 NH1 ARG A 27 -2.047 17.491 -1.987 1.00 75.00 N ATOM 453 NH2 ARG A 27 -1.010 17.953 -3.978 1.00 75.00 N ATOM 0 H ARG A 27 -1.069 10.565 -5.271 1.00 10.00 H new ATOM 0 HA ARG A 27 1.244 11.989 -4.204 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.487 13.783 -4.363 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -1.596 12.792 -3.435 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.092 12.900 -1.459 1.00 50.00 H new ATOM 0 HG3 ARG A 27 1.095 13.802 -2.380 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.720 14.749 -1.661 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -0.225 15.322 -0.947 1.00 50.00 H new ATOM 0 HE ARG A 27 0.078 15.757 -3.703 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -2.208 16.866 -1.197 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -2.530 18.388 -2.034 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -0.371 17.689 -4.728 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -1.498 18.848 -4.015 1.00 75.00 H new ATOM 467 N TRP A 28 1.131 10.273 -2.352 1.00 10.00 N ATOM 468 CA TRP A 28 1.128 9.200 -1.341 1.00 10.00 C ATOM 469 C TRP A 28 0.700 9.723 0.042 1.00 10.00 C ATOM 470 O TRP A 28 0.875 10.908 0.359 1.00 50.00 O ATOM 471 CB TRP A 28 2.519 8.490 -1.271 1.00 50.00 C ATOM 472 CG TRP A 28 3.699 9.390 -0.943 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.584 9.949 -1.828 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.128 9.819 0.367 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.525 10.687 -1.152 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.263 10.625 0.194 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.652 9.599 1.666 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.931 11.207 1.263 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.311 10.176 2.725 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.440 10.976 2.519 1.00 50.00 C ATOM 0 H TRP A 28 2.036 10.729 -2.468 1.00 10.00 H new ATOM 0 HA TRP A 28 0.389 8.461 -1.651 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.467 7.701 -0.521 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.709 8.007 -2.229 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.547 9.827 -2.900 1.00 50.00 H new ATOM 0 HE1 TRP A 28 6.295 11.199 -1.582 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.780 8.985 1.833 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.807 11.820 1.109 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.952 10.010 3.730 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.935 11.421 3.370 1.00 50.00 H new ATOM 491 N LYS A 29 0.125 8.812 0.841 1.00 10.00 N ATOM 492 CA LYS A 29 -0.118 8.994 2.290 1.00 10.00 C ATOM 493 C LYS A 29 0.285 7.696 3.003 1.00 10.00 C ATOM 494 O LYS A 29 0.433 6.652 2.352 1.00 50.00 O ATOM 495 CB LYS A 29 -1.610 9.325 2.596 1.00 50.00 C ATOM 496 CG LYS A 29 -2.137 10.627 1.954 1.00 50.00 C ATOM 497 CD LYS A 29 -3.583 11.007 2.396 1.00 50.00 C ATOM 498 CE LYS A 29 -4.681 10.050 1.875 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.700 8.731 2.566 1.00 75.00 N ATOM 0 H LYS A 29 -0.193 7.906 0.496 1.00 10.00 H new ATOM 0 HA LYS A 29 0.474 9.838 2.645 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.228 8.494 2.255 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.737 9.394 3.676 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -1.463 11.445 2.208 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.115 10.521 0.869 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -3.623 11.029 3.485 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -3.803 12.017 2.049 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -5.654 10.527 1.995 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.534 9.889 0.807 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.679 8.484 2.816 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.310 8.003 1.934 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -4.124 8.784 3.431 1.00 75.00 H new ATOM 513 N GLY A 30 0.456 7.752 4.331 1.00 10.00 N ATOM 514 CA GLY A 30 0.809 6.572 5.111 1.00 10.00 C ATOM 515 C GLY A 30 1.188 6.913 6.557 1.00 10.00 C ATOM 516 O GLY A 30 0.809 7.980 7.051 1.00 50.00 O ATOM 0 H GLY A 30 0.354 8.605 4.882 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -0.031 5.878 5.114 1.00 10.00 H new ATOM 0 HA3 GLY A 30 1.644 6.060 4.632 1.00 10.00 H new ATOM 520 N PRO A 31 1.927 6.010 7.287 1.00 10.00 N ATOM 521 CA PRO A 31 2.349 4.679 6.784 1.00 10.00 C ATOM 522 C PRO A 31 1.242 3.598 6.927 1.00 10.00 C ATOM 523 O PRO A 31 0.760 3.316 8.033 1.00 50.00 O ATOM 524 CB PRO A 31 3.583 4.359 7.661 1.00 50.00 C ATOM 525 CG PRO A 31 3.317 5.046 8.975 1.00 50.00 C ATOM 526 CD PRO A 31 2.425 6.251 8.669 1.00 50.00 C ATOM 0 HA PRO A 31 2.562 4.685 5.715 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.704 3.284 7.795 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.500 4.728 7.201 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.826 4.368 9.673 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.250 5.363 9.441 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.602 6.325 9.379 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.985 7.184 8.731 1.00 50.00 H new ATOM 534 N TYR A 32 0.839 3.030 5.781 1.00 10.00 N ATOM 535 CA TYR A 32 -0.083 1.887 5.710 1.00 10.00 C ATOM 536 C TYR A 32 0.694 0.580 5.942 1.00 10.00 C ATOM 537 O TYR A 32 1.898 0.531 5.700 1.00 50.00 O ATOM 538 CB TYR A 32 -0.797 1.879 4.335 1.00 50.00 C ATOM 539 CG TYR A 32 -1.824 3.006 4.152 1.00 50.00 C ATOM 540 CD1 TYR A 32 -3.159 2.828 4.528 1.00 50.00 C ATOM 541 CD2 TYR A 32 -1.464 4.243 3.611 1.00 50.00 C ATOM 542 CE1 TYR A 32 -4.092 3.833 4.364 1.00 50.00 C ATOM 543 CE2 TYR A 32 -2.397 5.250 3.444 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.704 5.045 3.824 1.00 50.00 C ATOM 545 OH TYR A 32 -4.629 6.054 3.665 1.00 50.00 O ATOM 0 H TYR A 32 1.148 3.356 4.865 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.842 1.975 6.488 1.00 10.00 H new ATOM 0 HB2 TYR A 32 -0.047 1.955 3.548 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -1.299 0.920 4.205 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -3.467 1.885 4.955 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -0.439 4.416 3.318 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -5.119 3.673 4.656 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -2.100 6.196 3.016 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.319 5.978 4.357 1.00 50.00 H new ATOM 555 N THR A 33 0.010 -0.469 6.429 1.00 10.00 N ATOM 556 CA THR A 33 0.651 -1.755 6.759 1.00 10.00 C ATOM 557 C THR A 33 0.147 -2.890 5.839 1.00 10.00 C ATOM 558 O THR A 33 -1.012 -3.297 5.945 1.00 50.00 O ATOM 559 CB THR A 33 0.405 -2.108 8.274 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.999 -2.078 8.577 1.00 50.00 O ATOM 561 CG2 THR A 33 1.143 -1.139 9.224 1.00 50.00 C ATOM 0 H THR A 33 -0.995 -0.451 6.604 1.00 10.00 H new ATOM 0 HA THR A 33 1.723 -1.654 6.592 1.00 10.00 H new ATOM 0 HB THR A 33 0.800 -3.112 8.431 1.00 50.00 H new ATOM 0 HG1 THR A 33 -1.135 -2.301 9.522 1.00 50.00 H new ATOM 0 HG21 THR A 33 0.944 -1.421 10.258 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.215 -1.189 9.034 1.00 50.00 H new ATOM 0 HG23 THR A 33 0.791 -0.122 9.051 1.00 50.00 H new ATOM 569 N VAL A 34 1.026 -3.402 4.937 1.00 10.00 N ATOM 570 CA VAL A 34 0.732 -4.590 4.105 1.00 10.00 C ATOM 571 C VAL A 34 0.722 -5.842 4.987 1.00 10.00 C ATOM 572 O VAL A 34 1.632 -6.061 5.792 1.00 50.00 O ATOM 573 CB VAL A 34 1.753 -4.798 2.912 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.495 -6.127 2.147 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.707 -3.606 1.940 1.00 50.00 C ATOM 0 H VAL A 34 1.950 -3.003 4.770 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.246 -4.419 3.655 1.00 10.00 H new ATOM 0 HB VAL A 34 2.749 -4.859 3.351 1.00 50.00 H new ATOM 0 HG11 VAL A 34 2.218 -6.227 1.338 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.599 -6.968 2.833 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.487 -6.119 1.733 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.416 -3.770 1.129 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.702 -3.510 1.529 1.00 50.00 H new ATOM 0 HG23 VAL A 34 1.970 -2.692 2.472 1.00 50.00 H new ATOM 585 N LEU A 35 -0.338 -6.635 4.839 1.00 10.00 N ATOM 586 CA LEU A 35 -0.503 -7.915 5.522 1.00 10.00 C ATOM 587 C LEU A 35 -0.219 -9.054 4.537 1.00 10.00 C ATOM 588 O LEU A 35 0.700 -9.857 4.734 1.00 50.00 O ATOM 589 CB LEU A 35 -1.944 -8.030 6.084 1.00 50.00 C ATOM 590 CG LEU A 35 -2.418 -6.851 6.982 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.873 -7.058 7.424 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.485 -6.642 8.196 1.00 50.00 C ATOM 0 H LEU A 35 -1.121 -6.400 4.229 1.00 10.00 H new ATOM 0 HA LEU A 35 0.198 -7.981 6.354 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.634 -8.123 5.245 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.016 -8.952 6.660 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.370 -5.940 6.385 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.185 -6.223 8.051 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.516 -7.112 6.545 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.953 -7.986 7.990 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.851 -5.810 8.797 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.468 -7.548 8.802 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.477 -6.421 7.846 1.00 50.00 H new ATOM 604 N LEU A 36 -0.996 -9.072 3.446 1.00 10.00 N ATOM 605 CA LEU A 36 -0.993 -10.170 2.461 1.00 10.00 C ATOM 606 C LEU A 36 -0.688 -9.610 1.064 1.00 10.00 C ATOM 607 O LEU A 36 -0.889 -8.421 0.813 1.00 50.00 O ATOM 608 CB LEU A 36 -2.364 -10.897 2.517 1.00 50.00 C ATOM 609 CG LEU A 36 -2.569 -12.120 1.568 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.560 -13.254 1.867 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.025 -12.616 1.649 1.00 50.00 C ATOM 0 H LEU A 36 -1.649 -8.323 3.218 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.215 -10.897 2.694 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.524 -11.235 3.541 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.142 -10.166 2.297 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.375 -11.795 0.546 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.736 -14.086 1.186 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.544 -12.882 1.732 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.688 -13.593 2.895 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.156 -13.469 0.983 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.251 -12.916 2.672 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.700 -11.814 1.349 1.00 50.00 H new ATOM 623 N THR A 37 -0.165 -10.466 0.168 1.00 10.00 N ATOM 624 CA THR A 37 0.188 -10.096 -1.211 1.00 10.00 C ATOM 625 C THR A 37 -0.508 -11.054 -2.202 1.00 10.00 C ATOM 626 O THR A 37 -0.437 -12.278 -2.037 1.00 50.00 O ATOM 627 CB THR A 37 1.743 -10.127 -1.416 1.00 50.00 C ATOM 628 OG1 THR A 37 2.266 -11.439 -1.151 1.00 50.00 O ATOM 629 CG2 THR A 37 2.468 -9.107 -0.513 1.00 50.00 C ATOM 0 H THR A 37 0.026 -11.444 0.385 1.00 10.00 H new ATOM 0 HA THR A 37 -0.155 -9.079 -1.399 1.00 10.00 H new ATOM 0 HB THR A 37 1.925 -9.859 -2.457 1.00 50.00 H new ATOM 0 HG1 THR A 37 1.548 -12.101 -1.237 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.542 -9.164 -0.689 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.115 -8.102 -0.744 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.259 -9.334 0.533 1.00 50.00 H new ATOM 637 N THR A 38 -1.186 -10.485 -3.219 1.00 10.00 N ATOM 638 CA THR A 38 -1.959 -11.241 -4.232 1.00 10.00 C ATOM 639 C THR A 38 -1.739 -10.587 -5.629 1.00 10.00 C ATOM 640 O THR A 38 -2.454 -9.638 -5.954 1.00 50.00 O ATOM 641 CB THR A 38 -3.497 -11.257 -3.862 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.923 -9.925 -3.508 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.826 -12.223 -2.700 1.00 50.00 C ATOM 0 H THR A 38 -1.214 -9.476 -3.364 1.00 10.00 H new ATOM 0 HA THR A 38 -1.612 -12.274 -4.256 1.00 10.00 H new ATOM 0 HB THR A 38 -4.032 -11.613 -4.742 1.00 50.00 H new ATOM 0 HG1 THR A 38 -4.664 -9.978 -2.869 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.895 -12.191 -2.492 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.541 -13.238 -2.979 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.274 -11.923 -1.810 1.00 50.00 H new ATOM 651 N PRO A 39 -0.758 -11.106 -6.463 1.00 10.00 N ATOM 652 CA PRO A 39 -0.213 -10.438 -7.699 1.00 10.00 C ATOM 653 C PRO A 39 -1.169 -9.451 -8.434 1.00 10.00 C ATOM 654 O PRO A 39 -2.301 -9.826 -8.758 1.00 50.00 O ATOM 655 CB PRO A 39 0.116 -11.650 -8.586 1.00 50.00 C ATOM 656 CG PRO A 39 0.577 -12.720 -7.628 1.00 50.00 C ATOM 657 CD PRO A 39 -0.096 -12.434 -6.278 1.00 50.00 C ATOM 0 HA PRO A 39 0.621 -9.782 -7.449 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -0.758 -11.975 -9.150 1.00 50.00 H new ATOM 0 HB3 PRO A 39 0.892 -11.409 -9.312 1.00 50.00 H new ATOM 0 HG2 PRO A 39 0.302 -13.709 -7.994 1.00 50.00 H new ATOM 0 HG3 PRO A 39 1.662 -12.707 -7.528 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -0.821 -13.207 -6.025 1.00 50.00 H new ATOM 0 HD3 PRO A 39 0.634 -12.404 -5.469 1.00 50.00 H new ATOM 665 N THR A 40 -0.660 -8.208 -8.672 1.00 10.00 N ATOM 666 CA THR A 40 -1.398 -7.039 -9.239 1.00 10.00 C ATOM 667 C THR A 40 -2.126 -6.224 -8.127 1.00 10.00 C ATOM 668 O THR A 40 -2.559 -5.086 -8.358 1.00 50.00 O ATOM 669 CB THR A 40 -2.366 -7.423 -10.433 1.00 50.00 C ATOM 670 OG1 THR A 40 -1.622 -8.161 -11.431 1.00 50.00 O ATOM 671 CG2 THR A 40 -3.022 -6.207 -11.115 1.00 50.00 C ATOM 0 H THR A 40 0.314 -7.984 -8.466 1.00 10.00 H new ATOM 0 HA THR A 40 -0.641 -6.389 -9.678 1.00 10.00 H new ATOM 0 HB THR A 40 -3.168 -8.021 -9.999 1.00 50.00 H new ATOM 0 HG1 THR A 40 -2.218 -8.402 -12.171 1.00 50.00 H new ATOM 0 HG21 THR A 40 -3.670 -6.548 -11.922 1.00 50.00 H new ATOM 0 HG22 THR A 40 -3.613 -5.655 -10.384 1.00 50.00 H new ATOM 0 HG23 THR A 40 -2.248 -5.557 -11.522 1.00 50.00 H new ATOM 679 N ALA A 41 -2.219 -6.787 -6.897 1.00 10.00 N ATOM 680 CA ALA A 41 -2.792 -6.079 -5.729 1.00 10.00 C ATOM 681 C ALA A 41 -2.181 -6.604 -4.415 1.00 10.00 C ATOM 682 O ALA A 41 -1.775 -7.753 -4.326 1.00 50.00 O ATOM 683 CB ALA A 41 -4.325 -6.219 -5.715 1.00 50.00 C ATOM 0 H ALA A 41 -1.902 -7.734 -6.689 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.545 -5.021 -5.814 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.730 -5.693 -4.851 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.738 -5.789 -6.628 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.594 -7.274 -5.657 1.00 50.00 H new ATOM 689 N LEU A 42 -2.086 -5.742 -3.398 1.00 10.00 N ATOM 690 CA LEU A 42 -1.597 -6.121 -2.057 1.00 10.00 C ATOM 691 C LEU A 42 -2.705 -5.835 -1.035 1.00 10.00 C ATOM 692 O LEU A 42 -3.313 -4.759 -1.072 1.00 50.00 O ATOM 693 CB LEU A 42 -0.296 -5.337 -1.690 1.00 50.00 C ATOM 694 CG LEU A 42 0.876 -5.390 -2.733 1.00 50.00 C ATOM 695 CD1 LEU A 42 2.134 -4.689 -2.191 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.201 -6.830 -3.171 1.00 50.00 C ATOM 0 H LEU A 42 -2.345 -4.759 -3.476 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.349 -7.182 -2.049 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.562 -4.292 -1.530 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.076 -5.721 -0.740 1.00 50.00 H new ATOM 0 HG LEU A 42 0.535 -4.852 -3.617 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.929 -4.742 -2.935 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.905 -3.645 -1.978 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.460 -5.183 -1.276 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.018 -6.815 -3.893 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.496 -7.417 -2.301 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.320 -7.278 -3.630 1.00 50.00 H new ATOM 708 N LYS A 43 -2.958 -6.790 -0.123 1.00 10.00 N ATOM 709 CA LYS A 43 -3.964 -6.626 0.928 1.00 10.00 C ATOM 710 C LYS A 43 -3.333 -5.854 2.093 1.00 10.00 C ATOM 711 O LYS A 43 -2.471 -6.379 2.815 1.00 50.00 O ATOM 712 CB LYS A 43 -4.487 -8.002 1.422 1.00 50.00 C ATOM 713 CG LYS A 43 -5.599 -7.897 2.490 1.00 50.00 C ATOM 714 CD LYS A 43 -6.074 -9.260 3.027 1.00 50.00 C ATOM 715 CE LYS A 43 -7.258 -9.112 4.006 1.00 50.00 C ATOM 716 NZ LYS A 43 -6.964 -8.185 5.142 1.00 75.00 N ATOM 0 H LYS A 43 -2.473 -7.687 -0.097 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.814 -6.074 0.526 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.867 -8.564 0.569 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.653 -8.571 1.833 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.235 -7.296 3.323 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.451 -7.368 2.063 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.370 -9.896 2.193 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.247 -9.760 3.531 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -8.129 -8.746 3.462 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -7.519 -10.093 4.403 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -7.746 -8.216 5.827 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -6.082 -8.478 5.610 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -6.859 -7.215 4.781 1.00 75.00 H new ATOM 730 N VAL A 44 -3.777 -4.599 2.242 1.00 10.00 N ATOM 731 CA VAL A 44 -3.265 -3.646 3.232 1.00 10.00 C ATOM 732 C VAL A 44 -4.325 -3.426 4.332 1.00 10.00 C ATOM 733 O VAL A 44 -5.517 -3.291 4.031 1.00 50.00 O ATOM 734 CB VAL A 44 -2.919 -2.274 2.533 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.378 -1.246 3.544 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.926 -2.464 1.354 1.00 50.00 C ATOM 0 H VAL A 44 -4.521 -4.210 1.662 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.358 -4.048 3.682 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.850 -1.883 2.122 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.150 -0.313 3.028 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.129 -1.062 4.312 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.472 -1.634 4.008 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.713 -1.497 0.899 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -1.000 -2.903 1.725 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.368 -3.126 0.609 1.00 50.00 H new ATOM 746 N ASP A 45 -3.883 -3.421 5.601 1.00 10.00 N ATOM 747 CA ASP A 45 -4.738 -3.120 6.760 1.00 10.00 C ATOM 748 C ASP A 45 -5.171 -1.637 6.747 1.00 10.00 C ATOM 749 O ASP A 45 -4.387 -0.759 6.361 1.00 50.00 O ATOM 750 CB ASP A 45 -3.975 -3.442 8.068 1.00 50.00 C ATOM 751 CG ASP A 45 -4.852 -3.331 9.325 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.602 -4.293 9.621 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.816 -2.282 10.004 1.00 50.00 O ATOM 0 H ASP A 45 -2.916 -3.627 5.852 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.634 -3.738 6.705 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.569 -4.451 8.005 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.128 -2.763 8.163 1.00 50.00 H new ATOM 758 N GLY A 46 -6.418 -1.376 7.172 1.00 10.00 N ATOM 759 CA GLY A 46 -7.011 -0.034 7.107 1.00 10.00 C ATOM 760 C GLY A 46 -7.778 0.201 5.807 1.00 10.00 C ATOM 761 O GLY A 46 -8.617 1.101 5.729 1.00 50.00 O ATOM 0 H GLY A 46 -7.037 -2.084 7.567 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.684 0.104 7.953 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.223 0.713 7.201 1.00 10.00 H new ATOM 765 N ILE A 47 -7.485 -0.622 4.788 1.00 10.00 N ATOM 766 CA ILE A 47 -8.115 -0.552 3.458 1.00 10.00 C ATOM 767 C ILE A 47 -9.321 -1.522 3.391 1.00 10.00 C ATOM 768 O ILE A 47 -9.411 -2.453 4.204 1.00 50.00 O ATOM 769 CB ILE A 47 -7.029 -0.884 2.357 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.831 0.121 2.459 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.605 -0.922 0.919 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.190 1.587 2.248 1.00 50.00 C ATOM 0 H ILE A 47 -6.793 -1.367 4.865 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.496 0.452 3.272 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.670 -1.893 2.561 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.372 0.014 3.442 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.078 -0.161 1.723 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.807 -1.155 0.214 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.379 -1.687 0.857 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.034 0.049 0.673 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.292 2.198 2.339 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.619 1.717 1.254 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -6.917 1.896 3.000 1.00 50.00 H new ATOM 784 N ALA A 48 -10.249 -1.267 2.432 1.00 10.00 N ATOM 785 CA ALA A 48 -11.457 -2.088 2.218 1.00 10.00 C ATOM 786 C ALA A 48 -11.104 -3.579 2.039 1.00 10.00 C ATOM 787 O ALA A 48 -11.667 -4.435 2.735 1.00 50.00 O ATOM 788 CB ALA A 48 -12.248 -1.564 1.001 1.00 50.00 C ATOM 0 H ALA A 48 -10.174 -0.481 1.786 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.082 -2.005 3.107 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.137 -2.178 0.853 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.546 -0.531 1.178 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.621 -1.613 0.111 1.00 50.00 H new ATOM 794 N ALA A 49 -10.168 -3.877 1.109 1.00 10.00 N ATOM 795 CA ALA A 49 -9.571 -5.222 0.991 1.00 10.00 C ATOM 796 C ALA A 49 -8.159 -5.167 0.360 1.00 10.00 C ATOM 797 O ALA A 49 -7.183 -5.574 0.990 1.00 50.00 O ATOM 798 CB ALA A 49 -10.498 -6.151 0.187 1.00 50.00 C ATOM 0 H ALA A 49 -9.812 -3.203 0.431 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.459 -5.628 1.997 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.044 -7.139 0.109 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.460 -6.233 0.694 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.648 -5.740 -0.811 1.00 50.00 H new ATOM 804 N TRP A 50 -8.050 -4.606 -0.863 1.00 10.00 N ATOM 805 CA TRP A 50 -6.785 -4.620 -1.650 1.00 10.00 C ATOM 806 C TRP A 50 -6.503 -3.253 -2.301 1.00 10.00 C ATOM 807 O TRP A 50 -7.396 -2.645 -2.902 1.00 50.00 O ATOM 808 CB TRP A 50 -6.831 -5.691 -2.787 1.00 50.00 C ATOM 809 CG TRP A 50 -6.867 -7.135 -2.330 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.809 -7.879 -1.900 1.00 50.00 C ATOM 811 CD2 TRP A 50 -8.000 -8.023 -2.326 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.215 -9.156 -1.596 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.555 -9.271 -1.850 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.347 -7.874 -2.663 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.405 -10.362 -1.707 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.194 -8.959 -2.524 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.718 -10.189 -2.048 1.00 50.00 C ATOM 0 H TRP A 50 -8.822 -4.135 -1.334 1.00 10.00 H new ATOM 0 HA TRP A 50 -5.993 -4.861 -0.941 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.710 -5.502 -3.403 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.959 -5.553 -3.426 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.796 -7.516 -1.811 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.614 -9.899 -1.239 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.721 -6.928 -3.026 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -8.042 -11.311 -1.340 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.237 -8.857 -2.786 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.403 -11.018 -1.948 1.00 50.00 H new ATOM 828 N ILE A 51 -5.245 -2.802 -2.191 1.00 10.00 N ATOM 829 CA ILE A 51 -4.700 -1.679 -2.971 1.00 10.00 C ATOM 830 C ILE A 51 -3.992 -2.252 -4.211 1.00 10.00 C ATOM 831 O ILE A 51 -3.111 -3.106 -4.079 1.00 50.00 O ATOM 832 CB ILE A 51 -3.685 -0.814 -2.117 1.00 50.00 C ATOM 833 CG1 ILE A 51 -4.424 -0.075 -0.962 1.00 50.00 C ATOM 834 CG2 ILE A 51 -2.893 0.190 -2.993 1.00 50.00 C ATOM 835 CD1 ILE A 51 -5.431 0.968 -1.417 1.00 50.00 C ATOM 0 H ILE A 51 -4.567 -3.212 -1.549 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.517 -1.020 -3.265 1.00 10.00 H new ATOM 0 HB ILE A 51 -2.961 -1.504 -1.682 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -4.939 -0.813 -0.347 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -3.683 0.409 -0.326 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.210 0.761 -2.364 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.324 -0.355 -3.746 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -3.588 0.871 -3.485 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -5.895 1.430 -0.546 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -4.923 1.732 -2.005 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.198 0.491 -2.027 1.00 50.00 H new ATOM 847 N HIS A 52 -4.388 -1.779 -5.403 1.00 10.00 N ATOM 848 CA HIS A 52 -3.792 -2.198 -6.685 1.00 10.00 C ATOM 849 C HIS A 52 -2.316 -1.741 -6.684 1.00 10.00 C ATOM 850 O HIS A 52 -2.041 -0.608 -6.291 1.00 50.00 O ATOM 851 CB HIS A 52 -4.601 -1.577 -7.854 1.00 50.00 C ATOM 852 CG HIS A 52 -4.339 -2.157 -9.220 1.00 50.00 C ATOM 853 ND1 HIS A 52 -3.267 -1.817 -10.010 1.00 50.00 N ATOM 854 CD2 HIS A 52 -5.062 -3.048 -9.939 1.00 50.00 C ATOM 855 CE1 HIS A 52 -3.362 -2.453 -11.164 1.00 50.00 C ATOM 856 NE2 HIS A 52 -4.437 -3.206 -11.136 1.00 50.00 N ATOM 0 H HIS A 52 -5.134 -1.092 -5.507 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.825 -3.280 -6.814 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.663 -1.685 -7.633 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.390 -0.508 -7.888 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.968 -3.542 -9.620 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -2.672 -2.368 -11.991 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -4.753 -3.813 -11.892 1.00 50.00 H new ATOM 865 N ALA A 53 -1.403 -2.622 -7.142 1.00 10.00 N ATOM 866 CA ALA A 53 0.055 -2.564 -6.845 1.00 10.00 C ATOM 867 C ALA A 53 0.751 -1.249 -7.267 1.00 10.00 C ATOM 868 O ALA A 53 1.733 -0.841 -6.633 1.00 50.00 O ATOM 869 CB ALA A 53 0.766 -3.786 -7.467 1.00 50.00 C ATOM 0 H ALA A 53 -1.656 -3.409 -7.739 1.00 10.00 H new ATOM 0 HA ALA A 53 0.140 -2.589 -5.759 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.832 -3.738 -7.246 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.350 -4.702 -7.047 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.619 -3.782 -8.547 1.00 50.00 H new ATOM 875 N ALA A 54 0.226 -0.586 -8.313 1.00 10.00 N ATOM 876 CA ALA A 54 0.782 0.697 -8.815 1.00 10.00 C ATOM 877 C ALA A 54 0.448 1.890 -7.886 1.00 10.00 C ATOM 878 O ALA A 54 0.872 3.020 -8.140 1.00 50.00 O ATOM 879 CB ALA A 54 0.293 0.961 -10.250 1.00 50.00 C ATOM 0 H ALA A 54 -0.587 -0.915 -8.834 1.00 10.00 H new ATOM 0 HA ALA A 54 1.868 0.603 -8.821 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.707 1.904 -10.608 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.621 0.151 -10.901 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.796 1.016 -10.259 1.00 50.00 H new ATOM 885 N HIS A 55 -0.324 1.632 -6.820 1.00 10.00 N ATOM 886 CA HIS A 55 -0.622 2.616 -5.761 1.00 10.00 C ATOM 887 C HIS A 55 0.096 2.227 -4.457 1.00 10.00 C ATOM 888 O HIS A 55 -0.172 2.812 -3.420 1.00 50.00 O ATOM 889 CB HIS A 55 -2.155 2.724 -5.500 1.00 50.00 C ATOM 890 CG HIS A 55 -2.979 3.077 -6.705 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.853 4.270 -7.377 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.934 2.381 -7.362 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.691 4.294 -8.393 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.360 3.161 -8.402 1.00 50.00 N ATOM 0 H HIS A 55 -0.765 0.726 -6.664 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.262 3.587 -6.101 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.509 1.773 -5.102 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.325 3.475 -4.729 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.210 5.021 -7.127 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.293 1.394 -7.112 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -3.809 5.104 -9.097 1.00 50.00 H new ATOM 903 N VAL A 56 0.996 1.226 -4.501 1.00 10.00 N ATOM 904 CA VAL A 56 1.787 0.826 -3.316 1.00 10.00 C ATOM 905 C VAL A 56 3.237 1.316 -3.474 1.00 10.00 C ATOM 906 O VAL A 56 3.893 1.014 -4.475 1.00 50.00 O ATOM 907 CB VAL A 56 1.788 -0.728 -3.072 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.512 -1.076 -1.744 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.351 -1.300 -3.084 1.00 50.00 C ATOM 0 H VAL A 56 1.195 0.680 -5.339 1.00 10.00 H new ATOM 0 HA VAL A 56 1.314 1.288 -2.450 1.00 10.00 H new ATOM 0 HB VAL A 56 2.336 -1.194 -3.891 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.501 -2.156 -1.596 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.544 -0.727 -1.790 1.00 50.00 H new ATOM 0 HG13 VAL A 56 2.001 -0.590 -0.913 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.386 -2.376 -2.913 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.236 -0.826 -2.297 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.112 -1.102 -4.051 1.00 50.00 H new ATOM 919 N LYS A 57 3.721 2.065 -2.481 1.00 10.00 N ATOM 920 CA LYS A 57 5.098 2.561 -2.425 1.00 10.00 C ATOM 921 C LYS A 57 5.717 2.120 -1.098 1.00 10.00 C ATOM 922 O LYS A 57 5.314 2.600 -0.044 1.00 50.00 O ATOM 923 CB LYS A 57 5.106 4.106 -2.568 1.00 50.00 C ATOM 924 CG LYS A 57 6.485 4.780 -2.336 1.00 50.00 C ATOM 925 CD LYS A 57 6.499 6.276 -2.720 1.00 50.00 C ATOM 926 CE LYS A 57 6.370 6.496 -4.232 1.00 50.00 C ATOM 927 NZ LYS A 57 7.475 5.829 -4.971 1.00 75.00 N ATOM 0 H LYS A 57 3.158 2.349 -1.680 1.00 10.00 H new ATOM 0 HA LYS A 57 5.688 2.151 -3.245 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.756 4.365 -3.567 1.00 50.00 H new ATOM 0 HB3 LYS A 57 4.390 4.525 -1.861 1.00 50.00 H new ATOM 0 HG2 LYS A 57 6.761 4.678 -1.287 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.242 4.254 -2.918 1.00 50.00 H new ATOM 0 HD2 LYS A 57 5.681 6.786 -2.211 1.00 50.00 H new ATOM 0 HD3 LYS A 57 7.426 6.729 -2.368 1.00 50.00 H new ATOM 0 HE2 LYS A 57 5.412 6.108 -4.578 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.378 7.564 -4.448 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 7.524 6.208 -5.938 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 8.376 6.007 -4.483 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.299 4.805 -5.009 1.00 75.00 H new ATOM 941 N ALA A 58 6.687 1.196 -1.166 1.00 10.00 N ATOM 942 CA ALA A 58 7.387 0.664 0.014 1.00 10.00 C ATOM 943 C ALA A 58 8.078 1.807 0.785 1.00 10.00 C ATOM 944 O ALA A 58 8.954 2.477 0.236 1.00 50.00 O ATOM 945 CB ALA A 58 8.404 -0.407 -0.424 1.00 50.00 C ATOM 0 H ALA A 58 7.010 0.794 -2.046 1.00 10.00 H new ATOM 0 HA ALA A 58 6.664 0.198 0.684 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.920 -0.799 0.452 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.882 -1.219 -0.930 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.130 0.038 -1.104 1.00 50.00 H new ATOM 951 N ALA A 59 7.664 2.035 2.043 1.00 10.00 N ATOM 952 CA ALA A 59 8.165 3.154 2.854 1.00 10.00 C ATOM 953 C ALA A 59 9.514 2.780 3.470 1.00 10.00 C ATOM 954 O ALA A 59 9.814 1.590 3.645 1.00 50.00 O ATOM 955 CB ALA A 59 7.147 3.530 3.942 1.00 50.00 C ATOM 0 H ALA A 59 6.977 1.452 2.522 1.00 10.00 H new ATOM 0 HA ALA A 59 8.304 4.025 2.214 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.535 4.360 4.532 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.207 3.825 3.475 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.975 2.672 4.592 1.00 50.00 H new ATOM 961 N ASP A 60 10.328 3.801 3.762 1.00 10.00 N ATOM 962 CA ASP A 60 11.642 3.631 4.411 1.00 10.00 C ATOM 963 C ASP A 60 11.532 4.033 5.900 1.00 50.00 C ATOM 964 O ASP A 60 11.565 5.227 6.221 1.00 50.00 O ATOM 965 CB ASP A 60 12.717 4.482 3.656 1.00 50.00 C ATOM 966 CG ASP A 60 14.185 4.262 4.103 1.00 50.00 C ATOM 967 OD1 ASP A 60 14.458 3.437 5.004 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.082 4.936 3.546 1.00 75.00 O ATOM 0 H ASP A 60 10.097 4.773 3.556 1.00 10.00 H new ATOM 0 HA ASP A 60 11.954 2.588 4.365 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.644 4.263 2.591 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.473 5.537 3.782 1.00 50.00 H new ATOM 973 N PRO A 61 11.352 3.040 6.835 1.00 50.00 N ATOM 974 CA PRO A 61 11.327 3.310 8.287 1.00 50.00 C ATOM 975 C PRO A 61 12.730 3.248 8.934 1.00 50.00 C ATOM 976 O PRO A 61 12.880 3.549 10.125 1.00 75.00 O ATOM 977 CB PRO A 61 10.417 2.172 8.800 1.00 75.00 C ATOM 978 CG PRO A 61 10.745 0.995 7.919 1.00 75.00 C ATOM 979 CD PRO A 61 11.135 1.581 6.564 1.00 50.00 C ATOM 0 HA PRO A 61 10.977 4.313 8.530 1.00 50.00 H new ATOM 0 HB2 PRO A 61 10.614 1.949 9.849 1.00 75.00 H new ATOM 0 HB3 PRO A 61 9.364 2.442 8.724 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.561 0.408 8.340 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.888 0.328 7.824 1.00 75.00 H new ATOM 0 HD2 PRO A 61 12.038 1.111 6.173 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.350 1.427 5.824 1.00 50.00 H new ATOM 987 N GLY A 62 13.759 2.894 8.128 1.00 50.00 N ATOM 988 CA GLY A 62 15.088 2.565 8.646 1.00 50.00 C ATOM 989 C GLY A 62 15.072 1.204 9.338 1.00 75.00 C ATOM 990 O GLY A 62 15.532 0.205 8.781 1.00 75.00 O ATOM 0 H GLY A 62 13.683 2.832 7.113 1.00 50.00 H new ATOM 0 HA2 GLY A 62 15.811 2.556 7.830 1.00 50.00 H new ATOM 0 HA3 GLY A 62 15.411 3.333 9.349 1.00 50.00 H new ATOM 994 N GLY A 63 14.510 1.174 10.560 1.00 75.00 N ATOM 995 CA GLY A 63 14.219 -0.069 11.281 1.00 75.00 C ATOM 996 C GLY A 63 12.715 -0.284 11.373 1.00 75.00 C ATOM 997 O GLY A 63 12.133 -1.043 10.584 1.00 75.00 O ATOM 0 H GLY A 63 14.246 2.015 11.073 1.00 75.00 H new ATOM 0 HA2 GLY A 63 14.683 -0.912 10.769 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.649 -0.027 12.281 1.00 75.00 H new ATOM 1001 N GLY A 64 12.085 0.403 12.339 1.00 75.00 N ATOM 1002 CA GLY A 64 10.637 0.328 12.555 1.00 75.00 C ATOM 1003 C GLY A 64 10.296 0.022 14.010 1.00 75.00 C ATOM 1004 O GLY A 64 10.926 0.604 14.897 1.00 75.00 O ATOM 0 H GLY A 64 12.567 1.024 12.989 1.00 75.00 H new ATOM 0 HA2 GLY A 64 10.177 1.273 12.265 1.00 75.00 H new ATOM 0 HA3 GLY A 64 10.213 -0.444 11.912 1.00 75.00 H new ATOM 1008 N PRO A 65 9.308 -0.885 14.310 1.00 75.00 N ATOM 1009 CA PRO A 65 9.011 -1.302 15.700 1.00 75.00 C ATOM 1010 C PRO A 65 10.131 -2.222 16.249 1.00 75.00 C ATOM 1011 O PRO A 65 10.302 -3.342 15.764 1.00 75.00 O ATOM 1012 CB PRO A 65 7.650 -2.044 15.568 1.00 75.00 C ATOM 1013 CG PRO A 65 7.645 -2.587 14.164 1.00 75.00 C ATOM 1014 CD PRO A 65 8.407 -1.570 13.324 1.00 75.00 C ATOM 0 HA PRO A 65 8.960 -0.472 16.404 1.00 75.00 H new ATOM 0 HB2 PRO A 65 7.563 -2.845 16.302 1.00 75.00 H new ATOM 0 HB3 PRO A 65 6.812 -1.367 15.734 1.00 75.00 H new ATOM 0 HG2 PRO A 65 8.123 -3.566 14.121 1.00 75.00 H new ATOM 0 HG3 PRO A 65 6.626 -2.713 13.797 1.00 75.00 H new ATOM 0 HD2 PRO A 65 8.978 -2.054 12.532 1.00 75.00 H new ATOM 0 HD3 PRO A 65 7.731 -0.863 12.843 1.00 75.00 H new ATOM 1022 N SER A 66 10.916 -1.720 17.227 1.00 75.00 N ATOM 1023 CA SER A 66 12.012 -2.490 17.870 1.00 75.00 C ATOM 1024 C SER A 66 11.462 -3.690 18.672 1.00 75.00 C ATOM 1025 O SER A 66 12.136 -4.723 18.819 1.00 75.00 O ATOM 1026 CB SER A 66 12.847 -1.560 18.774 1.00 75.00 C ATOM 1027 OG SER A 66 12.028 -0.903 19.722 1.00 75.00 O ATOM 0 H SER A 66 10.811 -0.774 17.594 1.00 75.00 H new ATOM 0 HA SER A 66 12.655 -2.891 17.087 1.00 75.00 H new ATOM 0 HB2 SER A 66 13.612 -2.140 19.290 1.00 75.00 H new ATOM 0 HB3 SER A 66 13.365 -0.821 18.162 1.00 75.00 H new ATOM 0 HG SER A 66 12.581 -0.321 20.284 1.00 75.00 H new ATOM 1033 N SER A 67 10.206 -3.547 19.148 1.00 75.00 N ATOM 1034 CA SER A 67 9.465 -4.626 19.829 1.00 75.00 C ATOM 1035 C SER A 67 8.807 -5.596 18.803 1.00 75.00 C ATOM 1036 O SER A 67 7.980 -6.421 19.189 1.00 75.00 O ATOM 1037 CB SER A 67 8.394 -4.009 20.762 1.00 75.00 C ATOM 1038 OG SER A 67 8.963 -3.063 21.656 1.00 75.00 O ATOM 0 H SER A 67 9.678 -2.678 19.070 1.00 75.00 H new ATOM 0 HA SER A 67 10.168 -5.209 20.424 1.00 75.00 H new ATOM 0 HB2 SER A 67 7.623 -3.526 20.162 1.00 75.00 H new ATOM 0 HB3 SER A 67 7.906 -4.801 21.331 1.00 75.00 H new ATOM 0 HG SER A 67 8.261 -2.691 22.229 1.00 75.00 H new ATOM 1044 N ARG A 68 9.170 -5.444 17.496 1.00 75.00 N ATOM 1045 CA ARG A 68 8.791 -6.347 16.367 1.00 75.00 C ATOM 1046 C ARG A 68 7.283 -6.657 16.318 1.00 75.00 C ATOM 1047 O ARG A 68 6.864 -7.784 16.013 1.00 75.00 O ATOM 1048 CB ARG A 68 9.702 -7.628 16.355 1.00 75.00 C ATOM 1049 CG ARG A 68 9.457 -8.692 17.467 1.00 75.00 C ATOM 1050 CD ARG A 68 10.683 -9.582 17.736 1.00 75.00 C ATOM 1051 NE ARG A 68 11.804 -8.787 18.275 1.00 75.00 N ATOM 1052 CZ ARG A 68 12.945 -9.284 18.779 1.00 75.00 C ATOM 1053 NH1 ARG A 68 13.166 -10.603 18.832 1.00 75.00 N ATOM 1054 NH2 ARG A 68 13.850 -8.444 19.270 1.00 75.00 N ATOM 0 H ARG A 68 9.753 -4.665 17.189 1.00 75.00 H new ATOM 0 HA ARG A 68 8.981 -5.812 15.437 1.00 75.00 H new ATOM 0 HB2 ARG A 68 9.583 -8.117 15.388 1.00 75.00 H new ATOM 0 HB3 ARG A 68 10.740 -7.304 16.422 1.00 75.00 H new ATOM 0 HG2 ARG A 68 9.175 -8.185 18.390 1.00 75.00 H new ATOM 0 HG3 ARG A 68 8.615 -9.322 17.179 1.00 75.00 H new ATOM 0 HD2 ARG A 68 10.418 -10.369 18.442 1.00 75.00 H new ATOM 0 HD3 ARG A 68 10.991 -10.072 16.813 1.00 75.00 H new ATOM 0 HE ARG A 68 11.703 -7.772 18.264 1.00 75.00 H new ATOM 0 HH11 ARG A 68 12.460 -11.253 18.485 1.00 75.00 H new ATOM 0 HH12 ARG A 68 14.040 -10.958 19.219 1.00 75.00 H new ATOM 0 HH21 ARG A 68 13.672 -7.440 19.260 1.00 75.00 H new ATOM 0 HH22 ARG A 68 14.723 -8.804 19.657 1.00 75.00 H new ATOM 1068 N LEU A 69 6.484 -5.601 16.579 1.00 75.00 N ATOM 1069 CA LEU A 69 5.018 -5.685 16.671 1.00 75.00 C ATOM 1070 C LEU A 69 4.395 -5.933 15.275 1.00 75.00 C ATOM 1071 O LEU A 69 4.019 -4.999 14.561 1.00 75.00 O ATOM 1072 CB LEU A 69 4.448 -4.391 17.325 1.00 75.00 C ATOM 1073 CG LEU A 69 4.998 -4.024 18.746 1.00 75.00 C ATOM 1074 CD1 LEU A 69 4.389 -2.699 19.256 1.00 75.00 C ATOM 1075 CD2 LEU A 69 4.772 -5.169 19.760 1.00 75.00 C ATOM 0 H LEU A 69 6.845 -4.660 16.733 1.00 75.00 H new ATOM 0 HA LEU A 69 4.752 -6.532 17.304 1.00 75.00 H new ATOM 0 HB2 LEU A 69 4.648 -3.554 16.656 1.00 75.00 H new ATOM 0 HB3 LEU A 69 3.365 -4.493 17.394 1.00 75.00 H new ATOM 0 HG LEU A 69 6.075 -3.883 18.650 1.00 75.00 H new ATOM 0 HD11 LEU A 69 4.790 -2.471 20.244 1.00 75.00 H new ATOM 0 HD12 LEU A 69 4.642 -1.893 18.567 1.00 75.00 H new ATOM 0 HD13 LEU A 69 3.305 -2.797 19.318 1.00 75.00 H new ATOM 0 HD21 LEU A 69 5.167 -4.877 20.733 1.00 75.00 H new ATOM 0 HD22 LEU A 69 3.705 -5.372 19.848 1.00 75.00 H new ATOM 0 HD23 LEU A 69 5.285 -6.067 19.415 1.00 75.00 H new ATOM 1087 N THR A 70 4.371 -7.213 14.887 1.00 75.00 N ATOM 1088 CA THR A 70 3.763 -7.697 13.644 1.00 75.00 C ATOM 1089 C THR A 70 2.507 -8.512 14.000 1.00 75.00 C ATOM 1090 O THR A 70 2.452 -9.120 15.076 1.00 75.00 O ATOM 1091 CB THR A 70 4.789 -8.571 12.838 1.00 75.00 C ATOM 1092 OG1 THR A 70 5.343 -9.588 13.698 1.00 75.00 O ATOM 1093 CG2 THR A 70 5.935 -7.718 12.245 1.00 75.00 C ATOM 0 H THR A 70 4.785 -7.960 15.444 1.00 75.00 H new ATOM 0 HA THR A 70 3.482 -6.854 13.013 1.00 75.00 H new ATOM 0 HB THR A 70 4.251 -9.031 12.009 1.00 75.00 H new ATOM 0 HG1 THR A 70 5.981 -10.132 13.192 1.00 75.00 H new ATOM 0 HG21 THR A 70 6.621 -8.362 11.696 1.00 75.00 H new ATOM 0 HG22 THR A 70 5.520 -6.970 11.569 1.00 75.00 H new ATOM 0 HG23 THR A 70 6.472 -7.219 13.052 1.00 75.00 H new ATOM 1101 N TRP A 71 1.517 -8.534 13.091 1.00 75.00 N ATOM 1102 CA TRP A 71 0.203 -9.189 13.321 1.00 75.00 C ATOM 1103 C TRP A 71 0.333 -10.736 13.428 1.00 75.00 C ATOM 1104 O TRP A 71 -0.568 -11.402 13.942 1.00 75.00 O ATOM 1105 CB TRP A 71 -0.779 -8.807 12.176 1.00 75.00 C ATOM 1106 CG TRP A 71 -1.108 -7.326 12.083 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -0.289 -6.312 11.656 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -2.361 -6.706 12.414 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -0.954 -5.112 11.706 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -2.226 -5.327 12.167 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -3.582 -7.188 12.898 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -3.266 -4.431 12.386 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -4.614 -6.297 13.115 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -4.451 -4.932 12.860 1.00 75.00 C ATOM 0 H TRP A 71 1.599 -8.099 12.172 1.00 75.00 H new ATOM 0 HA TRP A 71 -0.187 -8.832 14.274 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -0.351 -9.129 11.227 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -1.707 -9.363 12.312 1.00 75.00 H new ATOM 0 HD1 TRP A 71 0.732 -6.439 11.328 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -0.564 -4.207 11.443 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -3.715 -8.241 13.099 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -3.145 -3.376 12.189 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -5.561 -6.660 13.487 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -5.276 -4.258 13.040 1.00 75.00 H new ATOM 1125 N ARG A 72 1.470 -11.273 12.912 1.00 75.00 N ATOM 1126 CA ARG A 72 1.831 -12.724 12.894 1.00 75.00 C ATOM 1127 C ARG A 72 0.739 -13.624 12.260 1.00 75.00 C ATOM 1128 O ARG A 72 0.620 -14.805 12.601 1.00 75.00 O ATOM 1129 CB ARG A 72 2.231 -13.202 14.318 1.00 75.00 C ATOM 1130 CG ARG A 72 3.393 -12.390 14.947 1.00 75.00 C ATOM 1131 CD ARG A 72 3.791 -12.876 16.355 1.00 75.00 C ATOM 1132 NE ARG A 72 4.752 -11.966 16.998 1.00 75.00 N ATOM 1133 CZ ARG A 72 5.108 -12.004 18.296 1.00 75.00 C ATOM 1134 NH1 ARG A 72 4.593 -12.909 19.129 1.00 75.00 N ATOM 1135 NH2 ARG A 72 5.990 -11.132 18.753 1.00 75.00 N ATOM 0 H ARG A 72 2.188 -10.691 12.481 1.00 75.00 H new ATOM 0 HA ARG A 72 2.697 -12.828 12.241 1.00 75.00 H new ATOM 0 HB2 ARG A 72 1.360 -13.138 14.971 1.00 75.00 H new ATOM 0 HB3 ARG A 72 2.518 -14.253 14.271 1.00 75.00 H new ATOM 0 HG2 ARG A 72 4.262 -12.448 14.292 1.00 75.00 H new ATOM 0 HG3 ARG A 72 3.104 -11.340 15.002 1.00 75.00 H new ATOM 0 HD2 ARG A 72 2.899 -12.960 16.976 1.00 75.00 H new ATOM 0 HD3 ARG A 72 4.226 -13.873 16.286 1.00 75.00 H new ATOM 0 HE ARG A 72 5.183 -11.249 16.414 1.00 75.00 H new ATOM 0 HH11 ARG A 72 3.915 -13.590 18.786 1.00 75.00 H new ATOM 0 HH12 ARG A 72 4.877 -12.920 20.109 1.00 75.00 H new ATOM 0 HH21 ARG A 72 6.394 -10.438 18.124 1.00 75.00 H new ATOM 0 HH22 ARG A 72 6.266 -11.153 19.735 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.026 -13.054 11.309 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.037 -13.796 10.529 1.00 75.00 C ATOM 1151 C VAL A 73 -0.342 -14.773 9.559 1.00 75.00 C ATOM 1152 O VAL A 73 -0.652 -15.970 9.545 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.991 -12.816 9.735 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -3.076 -13.589 8.939 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.632 -11.777 10.692 1.00 50.00 C ATOM 0 H VAL A 73 0.039 -12.067 11.060 1.00 75.00 H new ATOM 0 HA VAL A 73 -1.653 -14.362 11.227 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.381 -12.279 9.009 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -3.711 -12.880 8.407 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.596 -14.255 8.222 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.684 -14.175 9.628 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.284 -11.113 10.124 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.215 -12.295 11.453 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -1.848 -11.192 11.172 1.00 50.00 H new ATOM 1165 N GLN A 74 0.620 -14.253 8.765 1.00 75.00 N ATOM 1166 CA GLN A 74 1.368 -15.068 7.794 1.00 75.00 C ATOM 1167 C GLN A 74 2.588 -15.725 8.487 1.00 75.00 C ATOM 1168 O GLN A 74 3.689 -15.164 8.521 1.00 75.00 O ATOM 1169 CB GLN A 74 1.819 -14.222 6.565 1.00 75.00 C ATOM 1170 CG GLN A 74 2.335 -15.063 5.356 1.00 75.00 C ATOM 1171 CD GLN A 74 1.228 -15.647 4.481 1.00 75.00 C ATOM 1172 OE1 GLN A 74 1.348 -16.760 3.950 1.00 75.00 O ATOM 1173 NE2 GLN A 74 0.181 -14.866 4.247 1.00 75.00 N ATOM 0 H GLN A 74 0.894 -13.271 8.781 1.00 75.00 H new ATOM 0 HA GLN A 74 0.706 -15.851 7.423 1.00 75.00 H new ATOM 0 HB2 GLN A 74 0.980 -13.609 6.234 1.00 75.00 H new ATOM 0 HB3 GLN A 74 2.608 -13.539 6.880 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.977 -14.435 4.739 1.00 75.00 H new ATOM 0 HG3 GLN A 74 2.953 -15.878 5.732 1.00 75.00 H new ATOM 0 HE21 GLN A 74 0.113 -13.955 4.701 1.00 75.00 H new ATOM 0 HE22 GLN A 74 -0.556 -15.177 3.614 1.00 75.00 H new ATOM 1182 N ARG A 75 2.335 -16.873 9.120 1.00 75.00 N ATOM 1183 CA ARG A 75 3.383 -17.792 9.621 1.00 75.00 C ATOM 1184 C ARG A 75 3.316 -19.123 8.843 1.00 75.00 C ATOM 1185 O ARG A 75 4.097 -20.050 9.109 1.00 75.00 O ATOM 1186 CB ARG A 75 3.185 -18.047 11.142 1.00 75.00 C ATOM 1187 CG ARG A 75 3.419 -16.810 12.047 1.00 75.00 C ATOM 1188 CD ARG A 75 3.039 -17.077 13.519 1.00 75.00 C ATOM 1189 NE ARG A 75 1.589 -17.316 13.672 1.00 75.00 N ATOM 1190 CZ ARG A 75 1.003 -17.978 14.688 1.00 75.00 C ATOM 1191 NH1 ARG A 75 1.721 -18.497 15.686 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -0.312 -18.129 14.688 1.00 75.00 N ATOM 0 H ARG A 75 1.388 -17.203 9.306 1.00 75.00 H new ATOM 0 HA ARG A 75 4.363 -17.339 9.470 1.00 75.00 H new ATOM 0 HB2 ARG A 75 2.171 -18.412 11.305 1.00 75.00 H new ATOM 0 HB3 ARG A 75 3.864 -18.841 11.454 1.00 75.00 H new ATOM 0 HG2 ARG A 75 4.467 -16.517 11.993 1.00 75.00 H new ATOM 0 HG3 ARG A 75 2.834 -15.971 11.670 1.00 75.00 H new ATOM 0 HD2 ARG A 75 3.592 -17.942 13.887 1.00 75.00 H new ATOM 0 HD3 ARG A 75 3.335 -16.225 14.132 1.00 75.00 H new ATOM 0 HE ARG A 75 0.978 -16.947 12.944 1.00 75.00 H new ATOM 0 HH11 ARG A 75 2.736 -18.396 15.690 1.00 75.00 H new ATOM 0 HH12 ARG A 75 1.255 -18.994 16.445 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -0.869 -17.746 13.924 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -0.768 -18.628 15.452 1.00 75.00 H new ATOM 1206 N SER A 76 2.372 -19.186 7.877 1.00 75.00 N ATOM 1207 CA SER A 76 2.073 -20.387 7.093 1.00 75.00 C ATOM 1208 C SER A 76 3.253 -20.732 6.164 1.00 75.00 C ATOM 1209 O SER A 76 3.941 -21.737 6.377 1.00 75.00 O ATOM 1210 CB SER A 76 0.777 -20.148 6.287 1.00 75.00 C ATOM 1211 OG SER A 76 -0.270 -19.665 7.115 1.00 75.00 O ATOM 0 H SER A 76 1.792 -18.386 7.623 1.00 75.00 H new ATOM 0 HA SER A 76 1.925 -21.236 7.760 1.00 75.00 H new ATOM 0 HB2 SER A 76 0.971 -19.431 5.489 1.00 75.00 H new ATOM 0 HB3 SER A 76 0.466 -21.078 5.812 1.00 75.00 H new ATOM 0 HG SER A 76 -1.001 -19.328 6.555 1.00 75.00 H new ATOM 1217 N GLN A 77 3.499 -19.868 5.149 1.00 75.00 N ATOM 1218 CA GLN A 77 4.671 -20.002 4.271 1.00 75.00 C ATOM 1219 C GLN A 77 5.860 -19.290 4.938 1.00 75.00 C ATOM 1220 O GLN A 77 6.156 -18.117 4.637 1.00 75.00 O ATOM 1221 CB GLN A 77 4.398 -19.435 2.844 1.00 75.00 C ATOM 1222 CG GLN A 77 5.580 -19.616 1.849 1.00 75.00 C ATOM 1223 CD GLN A 77 5.873 -21.075 1.490 1.00 75.00 C ATOM 1224 OE1 GLN A 77 5.341 -21.605 0.519 1.00 75.00 O ATOM 1225 NE2 GLN A 77 6.707 -21.741 2.271 1.00 75.00 N ATOM 0 H GLN A 77 2.898 -19.075 4.924 1.00 75.00 H new ATOM 0 HA GLN A 77 4.900 -21.059 4.138 1.00 75.00 H new ATOM 0 HB2 GLN A 77 3.514 -19.924 2.434 1.00 75.00 H new ATOM 0 HB3 GLN A 77 4.166 -18.373 2.925 1.00 75.00 H new ATOM 0 HG2 GLN A 77 5.360 -19.065 0.935 1.00 75.00 H new ATOM 0 HG3 GLN A 77 6.477 -19.172 2.281 1.00 75.00 H new ATOM 0 HE21 GLN A 77 7.136 -21.277 3.072 1.00 75.00 H new ATOM 0 HE22 GLN A 77 6.921 -22.718 2.072 1.00 75.00 H new ATOM 1234 N ASN A 78 6.472 -20.015 5.904 1.00 75.00 N ATOM 1235 CA ASN A 78 7.615 -19.567 6.731 1.00 75.00 C ATOM 1236 C ASN A 78 7.222 -18.389 7.672 1.00 75.00 C ATOM 1237 O ASN A 78 6.447 -17.504 7.285 1.00 75.00 O ATOM 1238 CB ASN A 78 8.851 -19.187 5.864 1.00 75.00 C ATOM 1239 CG ASN A 78 9.338 -20.340 4.980 1.00 75.00 C ATOM 1240 OD1 ASN A 78 8.877 -20.513 3.853 1.00 75.00 O ATOM 1241 ND2 ASN A 78 10.270 -21.133 5.477 1.00 75.00 N ATOM 0 H ASN A 78 6.172 -20.962 6.136 1.00 75.00 H new ATOM 0 HA ASN A 78 7.896 -20.416 7.354 1.00 75.00 H new ATOM 0 HB2 ASN A 78 8.598 -18.335 5.233 1.00 75.00 H new ATOM 0 HB3 ASN A 78 9.663 -18.869 6.518 1.00 75.00 H new ATOM 0 HD21 ASN A 78 10.625 -21.912 4.923 1.00 75.00 H new ATOM 0 HD22 ASN A 78 10.635 -20.966 6.415 1.00 75.00 H new ATOM 1248 N PRO A 79 7.723 -18.371 8.948 1.00 75.00 N ATOM 1249 CA PRO A 79 7.638 -17.167 9.804 1.00 75.00 C ATOM 1250 C PRO A 79 8.476 -16.022 9.200 1.00 75.00 C ATOM 1251 O PRO A 79 9.711 -16.085 9.188 1.00 75.00 O ATOM 1252 CB PRO A 79 8.188 -17.642 11.175 1.00 75.00 C ATOM 1253 CG PRO A 79 8.114 -19.147 11.126 1.00 75.00 C ATOM 1254 CD PRO A 79 8.350 -19.511 9.673 1.00 75.00 C ATOM 0 HA PRO A 79 6.628 -16.768 9.896 1.00 75.00 H new ATOM 0 HB2 PRO A 79 9.212 -17.302 11.328 1.00 75.00 H new ATOM 0 HB3 PRO A 79 7.594 -17.244 11.998 1.00 75.00 H new ATOM 0 HG2 PRO A 79 8.866 -19.599 11.772 1.00 75.00 H new ATOM 0 HG3 PRO A 79 7.143 -19.505 11.469 1.00 75.00 H new ATOM 0 HD2 PRO A 79 9.412 -19.602 9.445 1.00 75.00 H new ATOM 0 HD3 PRO A 79 7.886 -20.462 9.413 1.00 75.00 H new ATOM 1262 N LEU A 80 7.777 -15.016 8.655 1.00 75.00 N ATOM 1263 CA LEU A 80 8.390 -13.923 7.887 1.00 75.00 C ATOM 1264 C LEU A 80 9.275 -13.033 8.769 1.00 75.00 C ATOM 1265 O LEU A 80 8.969 -12.814 9.951 1.00 75.00 O ATOM 1266 CB LEU A 80 7.280 -13.072 7.231 1.00 75.00 C ATOM 1267 CG LEU A 80 6.278 -13.857 6.340 1.00 75.00 C ATOM 1268 CD1 LEU A 80 5.169 -12.926 5.834 1.00 75.00 C ATOM 1269 CD2 LEU A 80 6.984 -14.562 5.161 1.00 75.00 C ATOM 0 H LEU A 80 6.763 -14.938 8.735 1.00 75.00 H new ATOM 0 HA LEU A 80 9.027 -14.364 7.120 1.00 75.00 H new ATOM 0 HB2 LEU A 80 6.721 -12.566 8.018 1.00 75.00 H new ATOM 0 HB3 LEU A 80 7.750 -12.298 6.625 1.00 75.00 H new ATOM 0 HG LEU A 80 5.828 -14.635 6.957 1.00 75.00 H new ATOM 0 HD11 LEU A 80 4.475 -13.491 5.211 1.00 75.00 H new ATOM 0 HD12 LEU A 80 4.633 -12.504 6.684 1.00 75.00 H new ATOM 0 HD13 LEU A 80 5.610 -12.120 5.247 1.00 75.00 H new ATOM 0 HD21 LEU A 80 6.247 -15.099 4.564 1.00 75.00 H new ATOM 0 HD22 LEU A 80 7.483 -13.819 4.539 1.00 75.00 H new ATOM 0 HD23 LEU A 80 7.721 -15.266 5.547 1.00 75.00 H new ATOM 1281 N LYS A 81 10.368 -12.538 8.165 1.00 75.00 N ATOM 1282 CA LYS A 81 11.329 -11.640 8.815 1.00 75.00 C ATOM 1283 C LYS A 81 10.639 -10.327 9.253 1.00 75.00 C ATOM 1284 O LYS A 81 9.801 -9.784 8.527 1.00 75.00 O ATOM 1285 CB LYS A 81 12.524 -11.367 7.855 1.00 75.00 C ATOM 1286 CG LYS A 81 12.139 -10.755 6.480 1.00 75.00 C ATOM 1287 CD LYS A 81 13.352 -10.623 5.520 1.00 75.00 C ATOM 1288 CE LYS A 81 14.428 -9.635 6.021 1.00 75.00 C ATOM 1289 NZ LYS A 81 15.654 -9.682 5.171 1.00 75.00 N ATOM 0 H LYS A 81 10.610 -12.755 7.198 1.00 75.00 H new ATOM 0 HA LYS A 81 11.716 -12.118 9.715 1.00 75.00 H new ATOM 0 HB2 LYS A 81 13.222 -10.694 8.352 1.00 75.00 H new ATOM 0 HB3 LYS A 81 13.053 -12.304 7.683 1.00 75.00 H new ATOM 0 HG2 LYS A 81 11.376 -11.377 6.011 1.00 75.00 H new ATOM 0 HG3 LYS A 81 11.696 -9.771 6.636 1.00 75.00 H new ATOM 0 HD2 LYS A 81 13.806 -11.604 5.384 1.00 75.00 H new ATOM 0 HD3 LYS A 81 12.998 -10.297 4.542 1.00 75.00 H new ATOM 0 HE2 LYS A 81 14.023 -8.623 6.020 1.00 75.00 H new ATOM 0 HE3 LYS A 81 14.690 -9.873 7.052 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 16.355 -9.006 5.536 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 16.054 -10.642 5.192 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 15.408 -9.431 4.192 1.00 75.00 H new ATOM 1303 N ILE A 82 11.026 -9.828 10.436 1.00 75.00 N ATOM 1304 CA ILE A 82 10.396 -8.657 11.095 1.00 75.00 C ATOM 1305 C ILE A 82 10.884 -7.306 10.496 1.00 75.00 C ATOM 1306 O ILE A 82 10.587 -6.235 11.049 1.00 75.00 O ATOM 1307 CB ILE A 82 10.666 -8.722 12.652 1.00 75.00 C ATOM 1308 CG1 ILE A 82 12.206 -8.724 12.950 1.00 75.00 C ATOM 1309 CG2 ILE A 82 9.972 -9.969 13.271 1.00 75.00 C ATOM 1310 CD1 ILE A 82 12.585 -8.799 14.425 1.00 75.00 C ATOM 0 H ILE A 82 11.795 -10.226 10.975 1.00 75.00 H new ATOM 0 HA ILE A 82 9.323 -8.702 10.911 1.00 75.00 H new ATOM 0 HB ILE A 82 10.240 -7.832 13.115 1.00 75.00 H new ATOM 0 HG12 ILE A 82 12.658 -9.570 12.432 1.00 75.00 H new ATOM 0 HG13 ILE A 82 12.643 -7.820 12.525 1.00 75.00 H new ATOM 0 HG21 ILE A 82 10.167 -9.999 14.343 1.00 75.00 H new ATOM 0 HG22 ILE A 82 8.897 -9.910 13.099 1.00 75.00 H new ATOM 0 HG23 ILE A 82 10.365 -10.873 12.805 1.00 75.00 H new ATOM 0 HD11 ILE A 82 13.671 -8.794 14.522 1.00 75.00 H new ATOM 0 HD12 ILE A 82 12.170 -7.940 14.951 1.00 75.00 H new ATOM 0 HD13 ILE A 82 12.186 -9.717 14.857 1.00 75.00 H new ATOM 1322 N ARG A 83 11.664 -7.398 9.385 1.00 75.00 N ATOM 1323 CA ARG A 83 12.106 -6.262 8.535 1.00 75.00 C ATOM 1324 C ARG A 83 13.203 -5.401 9.218 1.00 75.00 C ATOM 1325 O ARG A 83 13.759 -4.493 8.593 1.00 75.00 O ATOM 1326 CB ARG A 83 10.893 -5.377 8.089 1.00 75.00 C ATOM 1327 CG ARG A 83 11.120 -4.516 6.817 1.00 75.00 C ATOM 1328 CD ARG A 83 9.990 -3.478 6.595 1.00 75.00 C ATOM 1329 NE ARG A 83 10.017 -2.842 5.257 1.00 75.00 N ATOM 1330 CZ ARG A 83 10.911 -1.935 4.821 1.00 75.00 C ATOM 1331 NH1 ARG A 83 11.907 -1.511 5.590 1.00 75.00 N ATOM 1332 NH2 ARG A 83 10.789 -1.441 3.599 1.00 75.00 N ATOM 0 H ARG A 83 12.013 -8.295 9.047 1.00 75.00 H new ATOM 0 HA ARG A 83 12.555 -6.698 7.642 1.00 75.00 H new ATOM 0 HB2 ARG A 83 10.036 -6.028 7.917 1.00 75.00 H new ATOM 0 HB3 ARG A 83 10.629 -4.713 8.912 1.00 75.00 H new ATOM 0 HG2 ARG A 83 12.075 -3.997 6.899 1.00 75.00 H new ATOM 0 HG3 ARG A 83 11.186 -5.169 5.947 1.00 75.00 H new ATOM 0 HD2 ARG A 83 9.027 -3.968 6.735 1.00 75.00 H new ATOM 0 HD3 ARG A 83 10.067 -2.703 7.357 1.00 75.00 H new ATOM 0 HE ARG A 83 9.286 -3.119 4.602 1.00 75.00 H new ATOM 0 HH11 ARG A 83 12.009 -1.874 6.538 1.00 75.00 H new ATOM 0 HH12 ARG A 83 12.570 -0.823 5.233 1.00 75.00 H new ATOM 0 HH21 ARG A 83 10.024 -1.748 2.999 1.00 75.00 H new ATOM 0 HH22 ARG A 83 11.460 -0.753 3.258 1.00 75.00 H new ATOM 1346 N LEU A 84 13.534 -5.707 10.490 1.00 75.00 N ATOM 1347 CA LEU A 84 14.481 -4.905 11.284 1.00 75.00 C ATOM 1348 C LEU A 84 15.939 -5.232 10.892 1.00 75.00 C ATOM 1349 O LEU A 84 16.234 -6.310 10.361 1.00 75.00 O ATOM 1350 CB LEU A 84 14.271 -5.157 12.807 1.00 75.00 C ATOM 1351 CG LEU A 84 12.842 -4.875 13.376 1.00 75.00 C ATOM 1352 CD1 LEU A 84 12.802 -5.119 14.900 1.00 75.00 C ATOM 1353 CD2 LEU A 84 12.351 -3.455 13.027 1.00 75.00 C ATOM 0 H LEU A 84 13.154 -6.511 10.990 1.00 75.00 H new ATOM 0 HA LEU A 84 14.290 -3.853 11.072 1.00 75.00 H new ATOM 0 HB2 LEU A 84 14.522 -6.197 13.017 1.00 75.00 H new ATOM 0 HB3 LEU A 84 14.983 -4.540 13.355 1.00 75.00 H new ATOM 0 HG LEU A 84 12.157 -5.575 12.898 1.00 75.00 H new ATOM 0 HD11 LEU A 84 11.799 -4.917 15.275 1.00 75.00 H new ATOM 0 HD12 LEU A 84 13.066 -6.156 15.110 1.00 75.00 H new ATOM 0 HD13 LEU A 84 13.514 -4.457 15.393 1.00 75.00 H new ATOM 0 HD21 LEU A 84 11.355 -3.302 13.442 1.00 75.00 H new ATOM 0 HD22 LEU A 84 13.036 -2.719 13.448 1.00 75.00 H new ATOM 0 HD23 LEU A 84 12.315 -3.338 11.944 1.00 75.00 H new ATOM 1365 N THR A 85 16.822 -4.267 11.162 1.00 75.00 N ATOM 1366 CA THR A 85 18.283 -4.407 11.030 1.00 75.00 C ATOM 1367 C THR A 85 18.838 -5.241 12.234 1.00 75.00 C ATOM 1368 O THR A 85 18.058 -5.958 12.886 1.00 75.00 O ATOM 1369 CB THR A 85 18.909 -2.965 10.946 1.00 75.00 C ATOM 1370 OG1 THR A 85 20.326 -3.024 10.734 1.00 75.00 O ATOM 1371 CG2 THR A 85 18.605 -2.114 12.199 1.00 75.00 C ATOM 0 H THR A 85 16.539 -3.343 11.487 1.00 75.00 H new ATOM 0 HA THR A 85 18.553 -4.947 10.122 1.00 75.00 H new ATOM 0 HB THR A 85 18.439 -2.480 10.090 1.00 75.00 H new ATOM 0 HG1 THR A 85 20.687 -2.114 10.684 1.00 75.00 H new ATOM 0 HG21 THR A 85 19.060 -1.129 12.089 1.00 75.00 H new ATOM 0 HG22 THR A 85 17.526 -2.005 12.312 1.00 75.00 H new ATOM 0 HG23 THR A 85 19.014 -2.606 13.081 1.00 75.00 H new ATOM 1379 N ARG A 86 20.166 -5.170 12.530 1.00 75.00 N ATOM 1380 CA ARG A 86 20.762 -5.892 13.677 1.00 75.00 C ATOM 1381 C ARG A 86 20.121 -5.432 15.008 1.00 75.00 C ATOM 1382 O ARG A 86 19.871 -4.238 15.214 1.00 75.00 O ATOM 1383 CB ARG A 86 22.310 -5.723 13.758 1.00 75.00 C ATOM 1384 CG ARG A 86 22.801 -4.272 13.981 1.00 75.00 C ATOM 1385 CD ARG A 86 24.285 -4.200 14.377 1.00 75.00 C ATOM 1386 NE ARG A 86 24.537 -4.866 15.676 1.00 75.00 N ATOM 1387 CZ ARG A 86 25.603 -4.654 16.470 1.00 75.00 C ATOM 1388 NH1 ARG A 86 26.561 -3.788 16.128 1.00 75.00 N ATOM 1389 NH2 ARG A 86 25.694 -5.304 17.622 1.00 75.00 N ATOM 0 H ARG A 86 20.836 -4.622 11.990 1.00 75.00 H new ATOM 0 HA ARG A 86 20.554 -6.949 13.514 1.00 75.00 H new ATOM 0 HB2 ARG A 86 22.686 -6.346 14.569 1.00 75.00 H new ATOM 0 HB3 ARG A 86 22.750 -6.101 12.835 1.00 75.00 H new ATOM 0 HG2 ARG A 86 22.645 -3.696 13.069 1.00 75.00 H new ATOM 0 HG3 ARG A 86 22.199 -3.805 14.760 1.00 75.00 H new ATOM 0 HD2 ARG A 86 24.892 -4.670 13.603 1.00 75.00 H new ATOM 0 HD3 ARG A 86 24.596 -3.157 14.436 1.00 75.00 H new ATOM 0 HE ARG A 86 23.844 -5.543 15.996 1.00 75.00 H new ATOM 0 HH11 ARG A 86 26.493 -3.272 15.251 1.00 75.00 H new ATOM 0 HH12 ARG A 86 27.361 -3.642 16.744 1.00 75.00 H new ATOM 0 HH21 ARG A 86 24.961 -5.957 17.899 1.00 75.00 H new ATOM 0 HH22 ARG A 86 26.497 -5.151 18.232 1.00 75.00 H new ATOM 1403 N GLU A 87 19.835 -6.396 15.890 1.00 75.00 N ATOM 1404 CA GLU A 87 19.222 -6.142 17.211 1.00 75.00 C ATOM 1405 C GLU A 87 20.343 -6.155 18.274 1.00 75.00 C ATOM 1406 O GLU A 87 21.329 -6.895 18.112 1.00 75.00 O ATOM 1407 CB GLU A 87 18.110 -7.221 17.486 1.00 75.00 C ATOM 1408 CG GLU A 87 16.893 -6.750 18.330 1.00 75.00 C ATOM 1409 CD GLU A 87 17.205 -6.527 19.819 1.00 75.00 C ATOM 1410 OE1 GLU A 87 17.348 -7.525 20.551 1.00 75.00 O ATOM 1411 OE2 GLU A 87 17.324 -5.372 20.255 1.00 75.00 O ATOM 0 H GLU A 87 20.021 -7.383 15.712 1.00 75.00 H new ATOM 0 HA GLU A 87 18.734 -5.168 17.246 1.00 75.00 H new ATOM 0 HB2 GLU A 87 17.742 -7.586 16.527 1.00 75.00 H new ATOM 0 HB3 GLU A 87 18.572 -8.068 17.993 1.00 75.00 H new ATOM 0 HG2 GLU A 87 16.510 -5.821 17.908 1.00 75.00 H new ATOM 0 HG3 GLU A 87 16.098 -7.490 18.244 1.00 75.00 H new ATOM 1418 N ALA A 88 20.181 -5.326 19.330 1.00 75.00 N ATOM 1419 CA ALA A 88 21.179 -5.135 20.403 1.00 75.00 C ATOM 1420 C ALA A 88 22.445 -4.436 19.833 1.00 75.00 C ATOM 1421 O ALA A 88 23.311 -5.107 19.251 1.00 75.00 O ATOM 1422 CB ALA A 88 21.516 -6.459 21.136 1.00 75.00 C ATOM 0 H ALA A 88 19.340 -4.763 19.461 1.00 75.00 H new ATOM 0 HA ALA A 88 20.744 -4.483 21.160 1.00 75.00 H new ATOM 0 HB1 ALA A 88 22.254 -6.266 21.915 1.00 75.00 H new ATOM 0 HB2 ALA A 88 20.611 -6.866 21.586 1.00 75.00 H new ATOM 0 HB3 ALA A 88 21.921 -7.177 20.423 1.00 75.00 H new ATOM 1428 N PRO A 89 22.535 -3.063 19.929 1.00 75.00 N ATOM 1429 CA PRO A 89 23.693 -2.294 19.410 1.00 75.00 C ATOM 1430 C PRO A 89 24.974 -2.525 20.268 1.00 75.00 C ATOM 1431 O PRO A 89 25.881 -3.256 19.823 1.00 75.00 O ATOM 1432 CB PRO A 89 23.197 -0.808 19.455 1.00 75.00 C ATOM 1433 CG PRO A 89 21.722 -0.879 19.748 1.00 75.00 C ATOM 1434 CD PRO A 89 21.525 -2.156 20.530 1.00 75.00 C ATOM 1435 OXT PRO A 89 25.047 -1.998 21.402 1.00 75.00 O ATOM 0 HA PRO A 89 23.990 -2.598 18.406 1.00 75.00 H new ATOM 0 HB2 PRO A 89 23.722 -0.243 20.225 1.00 75.00 H new ATOM 0 HB3 PRO A 89 23.384 -0.304 18.507 1.00 75.00 H new ATOM 0 HG2 PRO A 89 21.394 -0.013 20.323 1.00 75.00 H new ATOM 0 HG3 PRO A 89 21.139 -0.889 18.827 1.00 75.00 H new ATOM 0 HD2 PRO A 89 21.696 -2.009 21.596 1.00 75.00 H new ATOM 0 HD3 PRO A 89 20.513 -2.546 20.420 1.00 75.00 H new TER 1443 PRO A 89