USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 535 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 34 TYR OH : rot -139:sc= 1.22 USER MOD Set 1.2: A 36 SER OG : rot 68:sc= 1.93 USER MOD Set 2.1: A 15 CYS SG : rot -26:sc= 0.803 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.101 USER MOD Set 2.3: A 18 CYS SG : rot -97:sc= 0.852 USER MOD Set 3.1: A 13 MET CE :methyl -171:sc= -0.07 (180deg=-0.22) USER MOD Set 3.2: A 42 ASN : amide:sc= 0.458 K(o=0.39,f=-13!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.225 F(o=-1,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.706) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -130:sc= 0 USER MOD Single : A 27 THR OG1 : rot -69:sc= 1.05 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.366 K(o=0.37,f=-5.8!) USER MOD Single : A 35 CYS SG : rot 20:sc= 0.187 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00108 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.08) USER MOD Single : A 45 HIS : no HE2:sc= -2.08! X(o=-2.1!,f=-2.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.8!) USER MOD Single : A 61 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 64 SER OG : rot 75:sc= 1.22 USER MOD Single : A 70 SER OG : rot -4:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.138 -5.374 3.766 1.00 0.87 N ATOM 47 CA VAL A 5 8.623 -4.066 4.162 1.00 0.97 C ATOM 48 C VAL A 5 8.740 -3.174 2.927 1.00 1.00 C ATOM 49 O VAL A 5 9.719 -2.444 2.782 1.00 1.53 O ATOM 50 CB VAL A 5 9.387 -3.465 5.358 1.00 1.28 C ATOM 51 CG1 VAL A 5 8.725 -2.154 5.815 1.00 1.64 C ATOM 52 CG2 VAL A 5 9.419 -4.440 6.542 1.00 2.47 C ATOM 0 HA VAL A 5 7.591 -4.153 4.501 1.00 0.97 H new ATOM 0 HB VAL A 5 10.407 -3.270 5.028 1.00 1.28 H new ATOM 0 HG11 VAL A 5 9.277 -1.743 6.660 1.00 1.64 H new ATOM 0 HG12 VAL A 5 8.732 -1.437 4.994 1.00 1.64 H new ATOM 0 HG13 VAL A 5 7.696 -2.351 6.115 1.00 1.64 H new ATOM 0 HG21 VAL A 5 9.965 -3.988 7.371 1.00 2.47 H new ATOM 0 HG22 VAL A 5 8.400 -4.663 6.857 1.00 2.47 H new ATOM 0 HG23 VAL A 5 9.916 -5.362 6.241 1.00 2.47 H new ATOM 62 N LEU A 6 7.779 -3.261 2.008 1.00 0.87 N ATOM 63 CA LEU A 6 7.800 -2.427 0.817 1.00 0.89 C ATOM 64 C LEU A 6 7.026 -1.154 1.124 1.00 0.85 C ATOM 65 O LEU A 6 5.847 -1.212 1.472 1.00 1.04 O ATOM 66 CB LEU A 6 7.208 -3.171 -0.382 1.00 1.00 C ATOM 67 CG LEU A 6 7.289 -2.393 -1.707 1.00 1.06 C ATOM 68 CD1 LEU A 6 8.733 -2.174 -2.177 1.00 1.89 C ATOM 69 CD2 LEU A 6 6.522 -3.170 -2.784 1.00 1.93 C ATOM 0 H LEU A 6 6.984 -3.897 2.068 1.00 0.87 H new ATOM 0 HA LEU A 6 8.826 -2.176 0.549 1.00 0.89 H new ATOM 0 HB2 LEU A 6 7.728 -4.122 -0.499 1.00 1.00 H new ATOM 0 HB3 LEU A 6 6.164 -3.403 -0.173 1.00 1.00 H new ATOM 0 HG LEU A 6 6.850 -1.409 -1.540 1.00 1.06 H new ATOM 0 HD11 LEU A 6 8.730 -1.620 -3.116 1.00 1.89 H new ATOM 0 HD12 LEU A 6 9.279 -1.607 -1.423 1.00 1.89 H new ATOM 0 HD13 LEU A 6 9.217 -3.139 -2.326 1.00 1.89 H new ATOM 0 HD21 LEU A 6 6.572 -2.628 -3.729 1.00 1.93 H new ATOM 0 HD22 LEU A 6 6.968 -4.157 -2.908 1.00 1.93 H new ATOM 0 HD23 LEU A 6 5.480 -3.278 -2.482 1.00 1.93 H new ATOM 81 N GLU A 7 7.683 -0.007 0.974 1.00 0.76 N ATOM 82 CA GLU A 7 6.989 1.258 0.882 1.00 0.71 C ATOM 83 C GLU A 7 6.648 1.509 -0.582 1.00 0.90 C ATOM 84 O GLU A 7 7.510 1.337 -1.446 1.00 1.20 O ATOM 85 CB GLU A 7 7.870 2.389 1.410 1.00 0.68 C ATOM 86 CG GLU A 7 8.388 2.168 2.837 1.00 0.68 C ATOM 87 CD GLU A 7 8.930 3.485 3.376 1.00 1.03 C ATOM 88 OE1 GLU A 7 9.484 4.255 2.558 1.00 2.07 O ATOM 89 OE2 GLU A 7 8.656 3.788 4.554 1.00 1.93 O ATOM 0 H GLU A 7 8.699 0.064 0.914 1.00 0.76 H new ATOM 0 HA GLU A 7 6.081 1.225 1.483 1.00 0.71 H new ATOM 0 HB2 GLU A 7 8.722 2.513 0.741 1.00 0.68 H new ATOM 0 HB3 GLU A 7 7.303 3.320 1.381 1.00 0.68 H new ATOM 0 HG2 GLU A 7 7.585 1.801 3.477 1.00 0.68 H new ATOM 0 HG3 GLU A 7 9.170 1.409 2.840 1.00 0.68 H new ATOM 96 N LEU A 8 5.429 1.970 -0.859 1.00 0.82 N ATOM 97 CA LEU A 8 5.131 2.693 -2.083 1.00 0.80 C ATOM 98 C LEU A 8 4.465 4.011 -1.704 1.00 0.79 C ATOM 99 O LEU A 8 3.583 4.045 -0.849 1.00 0.85 O ATOM 100 CB LEU A 8 4.305 1.885 -3.110 1.00 0.78 C ATOM 101 CG LEU A 8 3.337 0.845 -2.526 1.00 0.93 C ATOM 102 CD1 LEU A 8 2.110 0.695 -3.430 1.00 1.76 C ATOM 103 CD2 LEU A 8 4.028 -0.520 -2.432 1.00 1.89 C ATOM 0 H LEU A 8 4.627 1.851 -0.240 1.00 0.82 H new ATOM 0 HA LEU A 8 6.068 2.884 -2.605 1.00 0.80 H new ATOM 0 HB2 LEU A 8 3.732 2.585 -3.717 1.00 0.78 H new ATOM 0 HB3 LEU A 8 4.996 1.373 -3.780 1.00 0.78 H new ATOM 0 HG LEU A 8 3.032 1.184 -1.536 1.00 0.93 H new ATOM 0 HD11 LEU A 8 1.433 -0.045 -3.004 1.00 1.76 H new ATOM 0 HD12 LEU A 8 1.597 1.653 -3.509 1.00 1.76 H new ATOM 0 HD13 LEU A 8 2.426 0.370 -4.421 1.00 1.76 H new ATOM 0 HD21 LEU A 8 3.334 -1.251 -2.017 1.00 1.89 H new ATOM 0 HD22 LEU A 8 4.340 -0.839 -3.426 1.00 1.89 H new ATOM 0 HD23 LEU A 8 4.902 -0.442 -1.786 1.00 1.89 H new ATOM 115 N VAL A 9 4.909 5.106 -2.317 1.00 0.84 N ATOM 116 CA VAL A 9 4.167 6.360 -2.324 1.00 0.84 C ATOM 117 C VAL A 9 2.980 6.188 -3.270 1.00 0.90 C ATOM 118 O VAL A 9 3.125 5.484 -4.266 1.00 1.16 O ATOM 119 CB VAL A 9 5.116 7.492 -2.733 1.00 0.92 C ATOM 120 CG1 VAL A 9 4.403 8.802 -3.073 1.00 1.00 C ATOM 121 CG2 VAL A 9 6.061 7.753 -1.559 1.00 1.12 C ATOM 0 H VAL A 9 5.794 5.147 -2.822 1.00 0.84 H new ATOM 0 HA VAL A 9 3.775 6.622 -1.341 1.00 0.84 H new ATOM 0 HB VAL A 9 5.636 7.171 -3.636 1.00 0.92 H new ATOM 0 HG11 VAL A 9 5.140 9.555 -3.353 1.00 1.00 H new ATOM 0 HG12 VAL A 9 3.718 8.638 -3.905 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.843 9.148 -2.204 1.00 1.00 H new ATOM 0 HG21 VAL A 9 6.751 8.556 -1.819 1.00 1.12 H new ATOM 0 HG22 VAL A 9 5.481 8.043 -0.683 1.00 1.12 H new ATOM 0 HG23 VAL A 9 6.625 6.847 -1.338 1.00 1.12 H new ATOM 131 N VAL A 10 1.817 6.768 -2.949 1.00 0.83 N ATOM 132 CA VAL A 10 0.555 6.523 -3.643 1.00 0.96 C ATOM 133 C VAL A 10 -0.193 7.840 -3.901 1.00 1.14 C ATOM 134 O VAL A 10 -1.056 8.259 -3.129 1.00 1.52 O ATOM 135 CB VAL A 10 -0.268 5.447 -2.907 1.00 0.97 C ATOM 136 CG1 VAL A 10 0.525 4.146 -2.743 1.00 1.70 C ATOM 137 CG2 VAL A 10 -0.765 5.851 -1.526 1.00 0.99 C ATOM 0 H VAL A 10 1.729 7.435 -2.182 1.00 0.83 H new ATOM 0 HA VAL A 10 0.753 6.111 -4.632 1.00 0.96 H new ATOM 0 HB VAL A 10 -1.137 5.310 -3.551 1.00 0.97 H new ATOM 0 HG11 VAL A 10 -0.086 3.411 -2.220 1.00 1.70 H new ATOM 0 HG12 VAL A 10 0.797 3.759 -3.725 1.00 1.70 H new ATOM 0 HG13 VAL A 10 1.429 4.341 -2.167 1.00 1.70 H new ATOM 0 HG21 VAL A 10 -1.333 5.030 -1.089 1.00 0.99 H new ATOM 0 HG22 VAL A 10 0.086 6.084 -0.887 1.00 0.99 H new ATOM 0 HG23 VAL A 10 -1.405 6.729 -1.612 1.00 0.99 H new ATOM 147 N ARG A 11 0.136 8.522 -5.000 1.00 1.34 N ATOM 148 CA ARG A 11 -0.427 9.843 -5.293 1.00 1.58 C ATOM 149 C ARG A 11 -1.947 9.736 -5.460 1.00 1.44 C ATOM 150 O ARG A 11 -2.429 8.778 -6.052 1.00 1.47 O ATOM 151 CB ARG A 11 0.240 10.487 -6.525 1.00 1.95 C ATOM 152 CG ARG A 11 1.288 11.563 -6.179 1.00 1.68 C ATOM 153 CD ARG A 11 2.635 10.976 -5.741 1.00 3.11 C ATOM 154 NE ARG A 11 3.615 12.035 -5.409 1.00 3.62 N ATOM 155 CZ ARG A 11 4.024 12.404 -4.177 1.00 4.90 C ATOM 156 NH1 ARG A 11 3.464 11.874 -3.097 1.00 5.91 N ATOM 157 NH2 ARG A 11 5.002 13.303 -4.023 1.00 5.94 N ATOM 0 H ARG A 11 0.791 8.181 -5.704 1.00 1.34 H new ATOM 0 HA ARG A 11 -0.219 10.502 -4.450 1.00 1.58 H new ATOM 0 HB2 ARG A 11 0.718 9.706 -7.117 1.00 1.95 H new ATOM 0 HB3 ARG A 11 -0.532 10.934 -7.151 1.00 1.95 H new ATOM 0 HG2 ARG A 11 1.443 12.202 -7.048 1.00 1.68 H new ATOM 0 HG3 ARG A 11 0.899 12.197 -5.382 1.00 1.68 H new ATOM 0 HD2 ARG A 11 2.486 10.333 -4.873 1.00 3.11 H new ATOM 0 HD3 ARG A 11 3.034 10.348 -6.538 1.00 3.11 H new ATOM 0 HE ARG A 11 4.025 12.539 -6.195 1.00 3.62 H new ATOM 0 HH11 ARG A 11 2.720 11.183 -3.195 1.00 5.91 H new ATOM 0 HH12 ARG A 11 3.778 12.157 -2.169 1.00 5.91 H new ATOM 0 HH21 ARG A 11 5.447 13.718 -4.842 1.00 5.94 H new ATOM 0 HH22 ARG A 11 5.303 13.574 -3.087 1.00 5.94 H new ATOM 171 N GLY A 12 -2.704 10.707 -4.936 1.00 1.47 N ATOM 172 CA GLY A 12 -4.153 10.768 -5.102 1.00 1.52 C ATOM 173 C GLY A 12 -4.900 10.805 -3.769 1.00 1.47 C ATOM 174 O GLY A 12 -6.027 11.293 -3.715 1.00 1.63 O ATOM 0 H GLY A 12 -2.323 11.474 -4.383 1.00 1.47 H new ATOM 0 HA2 GLY A 12 -4.411 11.654 -5.683 1.00 1.52 H new ATOM 0 HA3 GLY A 12 -4.485 9.903 -5.676 1.00 1.52 H new ATOM 178 N MET A 13 -4.297 10.291 -2.690 1.00 1.39 N ATOM 179 CA MET A 13 -4.915 10.392 -1.374 1.00 1.38 C ATOM 180 C MET A 13 -5.120 11.856 -0.983 1.00 1.68 C ATOM 181 O MET A 13 -4.366 12.729 -1.409 1.00 2.47 O ATOM 182 CB MET A 13 -4.068 9.703 -0.303 1.00 1.33 C ATOM 183 CG MET A 13 -3.893 8.207 -0.550 1.00 1.39 C ATOM 184 SD MET A 13 -3.314 7.292 0.903 1.00 1.43 S ATOM 185 CE MET A 13 -1.712 8.065 1.181 1.00 0.97 C ATOM 0 H MET A 13 -3.398 9.810 -2.706 1.00 1.39 H new ATOM 0 HA MET A 13 -5.881 9.891 -1.435 1.00 1.38 H new ATOM 0 HB2 MET A 13 -3.087 10.176 -0.264 1.00 1.33 H new ATOM 0 HB3 MET A 13 -4.533 9.853 0.671 1.00 1.33 H new ATOM 0 HG2 MET A 13 -4.845 7.788 -0.877 1.00 1.39 H new ATOM 0 HG3 MET A 13 -3.184 8.063 -1.365 1.00 1.39 H new ATOM 0 HE1 MET A 13 -1.165 7.505 1.940 1.00 0.97 H new ATOM 0 HE2 MET A 13 -1.143 8.068 0.251 1.00 0.97 H new ATOM 0 HE3 MET A 13 -1.857 9.091 1.521 1.00 0.97 H new ATOM 195 N THR A 14 -6.124 12.115 -0.142 1.00 1.55 N ATOM 196 CA THR A 14 -6.412 13.448 0.365 1.00 1.92 C ATOM 197 C THR A 14 -7.292 13.358 1.616 1.00 1.79 C ATOM 198 O THR A 14 -6.888 13.807 2.687 1.00 2.85 O ATOM 199 CB THR A 14 -6.978 14.349 -0.754 1.00 2.43 C ATOM 200 OG1 THR A 14 -7.330 15.617 -0.241 1.00 3.09 O ATOM 201 CG2 THR A 14 -8.193 13.775 -1.495 1.00 2.22 C ATOM 0 H THR A 14 -6.761 11.398 0.205 1.00 1.55 H new ATOM 0 HA THR A 14 -5.490 13.934 0.684 1.00 1.92 H new ATOM 0 HB THR A 14 -6.168 14.421 -1.480 1.00 2.43 H new ATOM 0 HG1 THR A 14 -7.685 16.175 -0.964 1.00 3.09 H new ATOM 0 HG21 THR A 14 -8.518 14.479 -2.261 1.00 2.22 H new ATOM 0 HG22 THR A 14 -7.920 12.829 -1.963 1.00 2.22 H new ATOM 0 HG23 THR A 14 -9.005 13.608 -0.788 1.00 2.22 H new ATOM 209 N CYS A 15 -8.483 12.764 1.504 1.00 1.23 N ATOM 210 CA CYS A 15 -9.428 12.692 2.613 1.00 1.41 C ATOM 211 C CYS A 15 -9.072 11.551 3.567 1.00 1.24 C ATOM 212 O CYS A 15 -8.462 10.561 3.162 1.00 1.85 O ATOM 213 CB CYS A 15 -10.864 12.550 2.099 1.00 1.94 C ATOM 214 SG CYS A 15 -11.127 10.889 1.434 1.00 4.23 S ATOM 0 H CYS A 15 -8.815 12.323 0.646 1.00 1.23 H new ATOM 0 HA CYS A 15 -9.361 13.626 3.171 1.00 1.41 H new ATOM 0 HB2 CYS A 15 -11.568 12.741 2.908 1.00 1.94 H new ATOM 0 HB3 CYS A 15 -11.057 13.294 1.326 1.00 1.94 H new ATOM 0 HG CYS A 15 -9.993 10.400 1.028 1.00 4.23 H new ATOM 220 N ALA A 16 -9.470 11.696 4.837 1.00 1.01 N ATOM 221 CA ALA A 16 -9.210 10.734 5.904 1.00 1.03 C ATOM 222 C ALA A 16 -9.455 9.301 5.442 1.00 1.08 C ATOM 223 O ALA A 16 -8.601 8.434 5.614 1.00 1.96 O ATOM 224 CB ALA A 16 -10.097 11.047 7.113 1.00 1.16 C ATOM 0 H ALA A 16 -9.996 12.510 5.155 1.00 1.01 H new ATOM 0 HA ALA A 16 -8.160 10.821 6.184 1.00 1.03 H new ATOM 0 HB1 ALA A 16 -9.899 10.326 7.906 1.00 1.16 H new ATOM 0 HB2 ALA A 16 -9.879 12.052 7.474 1.00 1.16 H new ATOM 0 HB3 ALA A 16 -11.145 10.986 6.821 1.00 1.16 H new ATOM 230 N SER A 17 -10.624 9.067 4.841 1.00 0.88 N ATOM 231 CA SER A 17 -11.069 7.776 4.362 1.00 0.82 C ATOM 232 C SER A 17 -9.968 7.019 3.620 1.00 0.80 C ATOM 233 O SER A 17 -9.827 5.818 3.817 1.00 0.77 O ATOM 234 CB SER A 17 -12.295 7.996 3.475 1.00 0.98 C ATOM 235 OG SER A 17 -13.103 9.012 4.049 1.00 1.61 O ATOM 0 H SER A 17 -11.306 9.807 4.673 1.00 0.88 H new ATOM 0 HA SER A 17 -11.331 7.149 5.214 1.00 0.82 H new ATOM 0 HB2 SER A 17 -11.986 8.283 2.470 1.00 0.98 H new ATOM 0 HB3 SER A 17 -12.863 7.071 3.382 1.00 0.98 H new ATOM 0 HG SER A 17 -13.891 9.161 3.485 1.00 1.61 H new ATOM 241 N CYS A 18 -9.177 7.712 2.791 1.00 0.91 N ATOM 242 CA CYS A 18 -8.089 7.118 2.024 1.00 0.96 C ATOM 243 C CYS A 18 -7.219 6.231 2.909 1.00 0.79 C ATOM 244 O CYS A 18 -6.872 5.123 2.502 1.00 0.82 O ATOM 245 CB CYS A 18 -7.224 8.213 1.389 1.00 1.16 C ATOM 246 SG CYS A 18 -8.170 9.199 0.204 1.00 1.46 S ATOM 0 H CYS A 18 -9.281 8.715 2.636 1.00 0.91 H new ATOM 0 HA CYS A 18 -8.530 6.505 1.238 1.00 0.96 H new ATOM 0 HB2 CYS A 18 -6.826 8.862 2.169 1.00 1.16 H new ATOM 0 HB3 CYS A 18 -6.370 7.758 0.886 1.00 1.16 H new ATOM 0 HG CYS A 18 -7.952 8.758 -0.999 1.00 1.46 H new ATOM 252 N VAL A 19 -6.901 6.699 4.123 1.00 0.67 N ATOM 253 CA VAL A 19 -6.093 5.967 5.080 1.00 0.62 C ATOM 254 C VAL A 19 -6.664 4.560 5.239 1.00 0.54 C ATOM 255 O VAL A 19 -6.068 3.576 4.798 1.00 0.54 O ATOM 256 CB VAL A 19 -6.020 6.718 6.425 1.00 0.62 C ATOM 257 CG1 VAL A 19 -5.240 5.936 7.491 1.00 0.72 C ATOM 258 CG2 VAL A 19 -5.351 8.084 6.242 1.00 0.76 C ATOM 0 H VAL A 19 -7.207 7.611 4.463 1.00 0.67 H new ATOM 0 HA VAL A 19 -5.070 5.886 4.713 1.00 0.62 H new ATOM 0 HB VAL A 19 -7.048 6.838 6.765 1.00 0.62 H new ATOM 0 HG11 VAL A 19 -5.218 6.508 8.419 1.00 0.72 H new ATOM 0 HG12 VAL A 19 -5.727 4.977 7.668 1.00 0.72 H new ATOM 0 HG13 VAL A 19 -4.220 5.767 7.145 1.00 0.72 H new ATOM 0 HG21 VAL A 19 -5.308 8.600 7.201 1.00 0.76 H new ATOM 0 HG22 VAL A 19 -4.340 7.946 5.859 1.00 0.76 H new ATOM 0 HG23 VAL A 19 -5.928 8.680 5.535 1.00 0.76 H new ATOM 268 N HIS A 20 -7.858 4.472 5.829 1.00 0.52 N ATOM 269 CA HIS A 20 -8.471 3.196 6.123 1.00 0.54 C ATOM 270 C HIS A 20 -8.758 2.449 4.822 1.00 0.60 C ATOM 271 O HIS A 20 -8.777 1.224 4.822 1.00 0.64 O ATOM 272 CB HIS A 20 -9.678 3.393 7.061 1.00 0.59 C ATOM 273 CG HIS A 20 -11.037 3.003 6.537 1.00 0.68 C ATOM 274 ND1 HIS A 20 -11.615 3.380 5.353 1.00 1.00 N flip ATOM 275 CD2 HIS A 20 -11.972 2.278 7.237 1.00 0.70 C flip ATOM 276 CE1 HIS A 20 -12.910 2.862 5.317 1.00 1.10 C flip ATOM 277 NE2 HIS A 20 -13.077 2.214 6.479 1.00 0.91 N flip ATOM 0 H HIS A 20 -8.414 5.280 6.110 1.00 0.52 H new ATOM 0 HA HIS A 20 -7.792 2.549 6.678 1.00 0.54 H new ATOM 0 HB2 HIS A 20 -9.493 2.824 7.972 1.00 0.59 H new ATOM 0 HB3 HIS A 20 -9.716 4.445 7.344 1.00 0.59 H new ATOM 0 HD2 HIS A 20 -11.841 1.841 8.216 1.00 0.70 H new ATOM 0 HE1 HIS A 20 -13.630 2.962 4.518 1.00 1.10 H new ATOM 0 HE2 HIS A 20 -13.935 1.734 6.752 1.00 0.91 H new ATOM 285 N LYS A 21 -8.967 3.166 3.710 1.00 0.68 N ATOM 286 CA LYS A 21 -9.233 2.531 2.434 1.00 0.80 C ATOM 287 C LYS A 21 -8.061 1.631 2.081 1.00 0.80 C ATOM 288 O LYS A 21 -8.245 0.440 1.838 1.00 0.94 O ATOM 289 CB LYS A 21 -9.544 3.545 1.319 1.00 0.85 C ATOM 290 CG LYS A 21 -10.797 3.163 0.518 1.00 0.90 C ATOM 291 CD LYS A 21 -10.702 1.776 -0.138 1.00 1.16 C ATOM 292 CE LYS A 21 -11.949 1.518 -0.998 1.00 1.59 C ATOM 293 NZ LYS A 21 -12.017 0.125 -1.490 1.00 3.19 N ATOM 0 H LYS A 21 -8.955 4.185 3.679 1.00 0.68 H new ATOM 0 HA LYS A 21 -10.135 1.926 2.526 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -9.683 4.533 1.758 1.00 0.85 H new ATOM 0 HB3 LYS A 21 -8.691 3.613 0.644 1.00 0.85 H new ATOM 0 HG2 LYS A 21 -11.663 3.185 1.179 1.00 0.90 H new ATOM 0 HG3 LYS A 21 -10.967 3.912 -0.256 1.00 0.90 H new ATOM 0 HD2 LYS A 21 -9.805 1.716 -0.755 1.00 1.16 H new ATOM 0 HD3 LYS A 21 -10.613 1.007 0.629 1.00 1.16 H new ATOM 0 HE2 LYS A 21 -12.842 1.738 -0.413 1.00 1.59 H new ATOM 0 HE3 LYS A 21 -11.949 2.201 -1.848 1.00 1.59 H new ATOM 0 HZ1 LYS A 21 -12.451 0.111 -2.435 1.00 3.19 H new ATOM 0 HZ2 LYS A 21 -11.057 -0.271 -1.545 1.00 3.19 H new ATOM 0 HZ3 LYS A 21 -12.590 -0.446 -0.837 1.00 3.19 H new ATOM 307 N ILE A 22 -6.855 2.194 2.070 1.00 0.73 N ATOM 308 CA ILE A 22 -5.680 1.436 1.678 1.00 0.68 C ATOM 309 C ILE A 22 -5.372 0.423 2.773 1.00 0.71 C ATOM 310 O ILE A 22 -5.275 -0.772 2.497 1.00 0.81 O ATOM 311 CB ILE A 22 -4.496 2.359 1.346 1.00 0.71 C ATOM 312 CG1 ILE A 22 -4.934 3.363 0.278 1.00 0.59 C ATOM 313 CG2 ILE A 22 -3.329 1.513 0.840 1.00 0.73 C ATOM 314 CD1 ILE A 22 -3.817 4.235 -0.287 1.00 0.97 C ATOM 0 H ILE A 22 -6.671 3.164 2.326 1.00 0.73 H new ATOM 0 HA ILE A 22 -5.875 0.890 0.755 1.00 0.68 H new ATOM 0 HB ILE A 22 -4.176 2.903 2.235 1.00 0.71 H new ATOM 0 HG12 ILE A 22 -5.398 2.817 -0.543 1.00 0.59 H new ATOM 0 HG13 ILE A 22 -5.700 4.011 0.703 1.00 0.59 H new ATOM 0 HG21 ILE A 22 -2.486 2.161 0.603 1.00 0.73 H new ATOM 0 HG22 ILE A 22 -3.034 0.802 1.611 1.00 0.73 H new ATOM 0 HG23 ILE A 22 -3.634 0.971 -0.056 1.00 0.73 H new ATOM 0 HD11 ILE A 22 -4.228 4.913 -1.036 1.00 0.97 H new ATOM 0 HD12 ILE A 22 -3.365 4.815 0.518 1.00 0.97 H new ATOM 0 HD13 ILE A 22 -3.059 3.602 -0.748 1.00 0.97 H new ATOM 326 N GLU A 23 -5.264 0.898 4.016 1.00 0.65 N ATOM 327 CA GLU A 23 -4.946 0.067 5.163 1.00 0.65 C ATOM 328 C GLU A 23 -5.839 -1.174 5.197 1.00 0.63 C ATOM 329 O GLU A 23 -5.332 -2.293 5.244 1.00 0.75 O ATOM 330 CB GLU A 23 -5.028 0.908 6.449 1.00 0.70 C ATOM 331 CG GLU A 23 -3.789 0.745 7.337 1.00 0.95 C ATOM 332 CD GLU A 23 -3.610 1.979 8.210 1.00 2.19 C ATOM 333 OE1 GLU A 23 -4.361 2.089 9.200 1.00 2.96 O ATOM 334 OE2 GLU A 23 -2.752 2.808 7.829 1.00 3.34 O ATOM 0 H GLU A 23 -5.398 1.882 4.249 1.00 0.65 H new ATOM 0 HA GLU A 23 -3.923 -0.300 5.082 1.00 0.65 H new ATOM 0 HB2 GLU A 23 -5.146 1.959 6.185 1.00 0.70 H new ATOM 0 HB3 GLU A 23 -5.915 0.619 7.012 1.00 0.70 H new ATOM 0 HG2 GLU A 23 -3.894 -0.141 7.963 1.00 0.95 H new ATOM 0 HG3 GLU A 23 -2.904 0.596 6.718 1.00 0.95 H new ATOM 341 N SER A 24 -7.159 -0.986 5.114 1.00 0.59 N ATOM 342 CA SER A 24 -8.126 -2.080 5.130 1.00 0.64 C ATOM 343 C SER A 24 -7.997 -2.924 3.862 1.00 0.75 C ATOM 344 O SER A 24 -7.936 -4.149 3.931 1.00 0.91 O ATOM 345 CB SER A 24 -9.551 -1.537 5.301 1.00 0.68 C ATOM 346 OG SER A 24 -10.473 -2.592 5.488 1.00 1.37 O ATOM 0 H SER A 24 -7.586 -0.063 5.033 1.00 0.59 H new ATOM 0 HA SER A 24 -7.913 -2.725 5.983 1.00 0.64 H new ATOM 0 HB2 SER A 24 -9.587 -0.861 6.156 1.00 0.68 H new ATOM 0 HB3 SER A 24 -9.831 -0.955 4.423 1.00 0.68 H new ATOM 0 HG SER A 24 -11.374 -2.223 5.596 1.00 1.37 H new ATOM 352 N SER A 25 -7.939 -2.279 2.691 1.00 0.74 N ATOM 353 CA SER A 25 -7.812 -2.988 1.424 1.00 0.86 C ATOM 354 C SER A 25 -6.568 -3.878 1.388 1.00 0.81 C ATOM 355 O SER A 25 -6.541 -4.843 0.627 1.00 1.02 O ATOM 356 CB SER A 25 -7.800 -1.996 0.264 1.00 1.03 C ATOM 357 OG SER A 25 -7.883 -2.674 -0.977 1.00 1.29 O ATOM 0 H SER A 25 -7.979 -1.264 2.601 1.00 0.74 H new ATOM 0 HA SER A 25 -8.678 -3.642 1.323 1.00 0.86 H new ATOM 0 HB2 SER A 25 -8.636 -1.304 0.362 1.00 1.03 H new ATOM 0 HB3 SER A 25 -6.888 -1.400 0.298 1.00 1.03 H new ATOM 0 HG SER A 25 -7.179 -2.348 -1.576 1.00 1.29 H new ATOM 363 N LEU A 26 -5.546 -3.546 2.174 1.00 0.68 N ATOM 364 CA LEU A 26 -4.380 -4.389 2.380 1.00 0.73 C ATOM 365 C LEU A 26 -4.612 -5.436 3.475 1.00 0.68 C ATOM 366 O LEU A 26 -4.450 -6.628 3.204 1.00 0.73 O ATOM 367 CB LEU A 26 -3.156 -3.505 2.631 1.00 0.81 C ATOM 368 CG LEU A 26 -2.476 -3.157 1.292 1.00 0.99 C ATOM 369 CD1 LEU A 26 -2.313 -1.652 1.115 1.00 2.05 C ATOM 370 CD2 LEU A 26 -1.099 -3.804 1.238 1.00 2.98 C ATOM 0 H LEU A 26 -5.508 -2.668 2.692 1.00 0.68 H new ATOM 0 HA LEU A 26 -4.191 -4.970 1.477 1.00 0.73 H new ATOM 0 HB2 LEU A 26 -3.456 -2.592 3.145 1.00 0.81 H new ATOM 0 HB3 LEU A 26 -2.451 -4.021 3.283 1.00 0.81 H new ATOM 0 HG LEU A 26 -3.113 -3.533 0.491 1.00 0.99 H new ATOM 0 HD11 LEU A 26 -1.830 -1.448 0.159 1.00 2.05 H new ATOM 0 HD12 LEU A 26 -3.293 -1.175 1.135 1.00 2.05 H new ATOM 0 HD13 LEU A 26 -1.699 -1.255 1.924 1.00 2.05 H new ATOM 0 HD21 LEU A 26 -0.618 -3.558 0.291 1.00 2.98 H new ATOM 0 HD22 LEU A 26 -0.490 -3.432 2.062 1.00 2.98 H new ATOM 0 HD23 LEU A 26 -1.202 -4.886 1.322 1.00 2.98 H new ATOM 382 N THR A 27 -5.000 -5.026 4.689 1.00 0.72 N ATOM 383 CA THR A 27 -5.275 -5.924 5.815 1.00 0.81 C ATOM 384 C THR A 27 -6.576 -6.702 5.593 1.00 1.22 C ATOM 385 O THR A 27 -7.557 -6.558 6.318 1.00 2.33 O ATOM 386 CB THR A 27 -5.216 -5.185 7.163 1.00 1.03 C ATOM 387 OG1 THR A 27 -6.063 -4.059 7.198 1.00 1.46 O ATOM 388 CG2 THR A 27 -3.786 -4.722 7.464 1.00 1.04 C ATOM 0 H THR A 27 -5.134 -4.041 4.919 1.00 0.72 H new ATOM 0 HA THR A 27 -4.481 -6.669 5.862 1.00 0.81 H new ATOM 0 HB THR A 27 -5.553 -5.898 7.915 1.00 1.03 H new ATOM 0 HG1 THR A 27 -5.713 -3.367 6.599 1.00 1.46 H new ATOM 0 HG21 THR A 27 -3.766 -4.202 8.422 1.00 1.04 H new ATOM 0 HG22 THR A 27 -3.125 -5.588 7.507 1.00 1.04 H new ATOM 0 HG23 THR A 27 -3.449 -4.047 6.677 1.00 1.04 H new ATOM 396 N LYS A 28 -6.539 -7.568 4.581 1.00 0.98 N ATOM 397 CA LYS A 28 -7.643 -8.376 4.103 1.00 1.21 C ATOM 398 C LYS A 28 -7.128 -9.470 3.172 1.00 1.20 C ATOM 399 O LYS A 28 -7.568 -10.613 3.265 1.00 1.54 O ATOM 400 CB LYS A 28 -8.725 -7.493 3.459 1.00 1.46 C ATOM 401 CG LYS A 28 -8.353 -6.856 2.116 1.00 1.32 C ATOM 402 CD LYS A 28 -8.820 -7.688 0.909 1.00 1.59 C ATOM 403 CE LYS A 28 -8.275 -7.077 -0.391 1.00 2.46 C ATOM 404 NZ LYS A 28 -8.669 -7.847 -1.588 1.00 3.37 N ATOM 0 H LYS A 28 -5.685 -7.728 4.047 1.00 0.98 H new ATOM 0 HA LYS A 28 -8.120 -8.876 4.946 1.00 1.21 H new ATOM 0 HB2 LYS A 28 -9.622 -8.095 3.318 1.00 1.46 H new ATOM 0 HB3 LYS A 28 -8.982 -6.697 4.158 1.00 1.46 H new ATOM 0 HG2 LYS A 28 -8.794 -5.861 2.057 1.00 1.32 H new ATOM 0 HG3 LYS A 28 -7.272 -6.729 2.067 1.00 1.32 H new ATOM 0 HD2 LYS A 28 -8.474 -8.717 1.010 1.00 1.59 H new ATOM 0 HD3 LYS A 28 -9.909 -7.719 0.878 1.00 1.59 H new ATOM 0 HE2 LYS A 28 -8.637 -6.053 -0.487 1.00 2.46 H new ATOM 0 HE3 LYS A 28 -7.187 -7.027 -0.337 1.00 2.46 H new ATOM 0 HZ1 LYS A 28 -8.276 -7.393 -2.437 1.00 3.37 H new ATOM 0 HZ2 LYS A 28 -8.302 -8.817 -1.513 1.00 3.37 H new ATOM 0 HZ3 LYS A 28 -9.706 -7.873 -1.658 1.00 3.37 H new ATOM 418 N HIS A 29 -6.203 -9.138 2.262 1.00 1.01 N ATOM 419 CA HIS A 29 -5.569 -10.150 1.440 1.00 1.27 C ATOM 420 C HIS A 29 -4.522 -10.874 2.287 1.00 1.28 C ATOM 421 O HIS A 29 -3.843 -10.253 3.103 1.00 2.11 O ATOM 422 CB HIS A 29 -4.991 -9.529 0.159 1.00 1.47 C ATOM 423 CG HIS A 29 -3.848 -8.564 0.360 1.00 1.52 C ATOM 424 ND1 HIS A 29 -2.562 -8.921 0.700 1.00 3.34 N ATOM 425 CD2 HIS A 29 -3.839 -7.224 0.066 1.00 1.62 C ATOM 426 CE1 HIS A 29 -1.799 -7.820 0.619 1.00 4.52 C ATOM 427 NE2 HIS A 29 -2.532 -6.763 0.232 1.00 3.67 N ATOM 0 H HIS A 29 -5.887 -8.185 2.085 1.00 1.01 H new ATOM 0 HA HIS A 29 -6.299 -10.886 1.104 1.00 1.27 H new ATOM 0 HB2 HIS A 29 -4.653 -10.334 -0.493 1.00 1.47 H new ATOM 0 HB3 HIS A 29 -5.793 -9.010 -0.366 1.00 1.47 H new ATOM 0 HD1 HIS A 29 -2.246 -9.854 0.965 1.00 3.34 H new ATOM 0 HD2 HIS A 29 -4.690 -6.633 -0.239 1.00 1.62 H new ATOM 0 HE1 HIS A 29 -0.741 -7.788 0.835 1.00 4.52 H new ATOM 435 N ARG A 30 -4.384 -12.187 2.090 1.00 1.24 N ATOM 436 CA ARG A 30 -3.323 -12.953 2.729 1.00 1.18 C ATOM 437 C ARG A 30 -1.964 -12.397 2.283 1.00 1.19 C ATOM 438 O ARG A 30 -1.879 -11.610 1.339 1.00 2.58 O ATOM 439 CB ARG A 30 -3.509 -14.443 2.391 1.00 1.62 C ATOM 440 CG ARG A 30 -2.566 -15.366 3.178 1.00 2.69 C ATOM 441 CD ARG A 30 -2.976 -16.835 3.029 1.00 3.19 C ATOM 442 NE ARG A 30 -2.048 -17.712 3.762 1.00 4.33 N ATOM 443 CZ ARG A 30 -2.170 -19.045 3.873 1.00 5.04 C ATOM 444 NH1 ARG A 30 -3.194 -19.670 3.282 1.00 4.94 N ATOM 445 NH2 ARG A 30 -1.270 -19.744 4.574 1.00 6.35 N ATOM 0 H ARG A 30 -4.998 -12.739 1.491 1.00 1.24 H new ATOM 0 HA ARG A 30 -3.364 -12.862 3.814 1.00 1.18 H new ATOM 0 HB2 ARG A 30 -4.541 -14.729 2.596 1.00 1.62 H new ATOM 0 HB3 ARG A 30 -3.343 -14.590 1.324 1.00 1.62 H new ATOM 0 HG2 ARG A 30 -1.544 -15.233 2.824 1.00 2.69 H new ATOM 0 HG3 ARG A 30 -2.577 -15.088 4.232 1.00 2.69 H new ATOM 0 HD2 ARG A 30 -3.990 -16.975 3.405 1.00 3.19 H new ATOM 0 HD3 ARG A 30 -2.987 -17.109 1.974 1.00 3.19 H new ATOM 0 HE ARG A 30 -1.250 -17.273 4.221 1.00 4.33 H new ATOM 0 HH11 ARG A 30 -3.879 -19.135 2.749 1.00 4.94 H new ATOM 0 HH12 ARG A 30 -3.290 -20.682 3.364 1.00 4.94 H new ATOM 0 HH21 ARG A 30 -0.491 -19.265 5.025 1.00 6.35 H new ATOM 0 HH22 ARG A 30 -1.363 -20.756 4.658 1.00 6.35 H new ATOM 459 N GLY A 31 -0.890 -12.768 2.974 1.00 0.86 N ATOM 460 CA GLY A 31 0.452 -12.370 2.586 1.00 0.76 C ATOM 461 C GLY A 31 0.857 -11.059 3.246 1.00 0.73 C ATOM 462 O GLY A 31 2.019 -10.914 3.607 1.00 1.08 O ATOM 0 H GLY A 31 -0.928 -13.349 3.812 1.00 0.86 H new ATOM 0 HA2 GLY A 31 1.159 -13.152 2.863 1.00 0.76 H new ATOM 0 HA3 GLY A 31 0.502 -12.264 1.502 1.00 0.76 H new ATOM 466 N ILE A 32 -0.071 -10.112 3.434 1.00 0.76 N ATOM 467 CA ILE A 32 0.133 -9.006 4.349 1.00 0.77 C ATOM 468 C ILE A 32 0.284 -9.584 5.760 1.00 0.95 C ATOM 469 O ILE A 32 -0.518 -10.413 6.185 1.00 1.38 O ATOM 470 CB ILE A 32 -1.026 -7.985 4.223 1.00 1.12 C ATOM 471 CG1 ILE A 32 -0.570 -6.616 3.697 1.00 0.72 C ATOM 472 CG2 ILE A 32 -1.796 -7.728 5.522 1.00 2.28 C ATOM 473 CD1 ILE A 32 0.165 -5.848 4.787 1.00 1.57 C ATOM 0 H ILE A 32 -0.972 -10.099 2.957 1.00 0.76 H new ATOM 0 HA ILE A 32 1.041 -8.453 4.109 1.00 0.77 H new ATOM 0 HB ILE A 32 -1.687 -8.473 3.507 1.00 1.12 H new ATOM 0 HG12 ILE A 32 0.082 -6.750 2.834 1.00 0.72 H new ATOM 0 HG13 ILE A 32 -1.433 -6.043 3.358 1.00 0.72 H new ATOM 0 HG21 ILE A 32 -2.587 -7.001 5.338 1.00 2.28 H new ATOM 0 HG22 ILE A 32 -2.235 -8.661 5.875 1.00 2.28 H new ATOM 0 HG23 ILE A 32 -1.114 -7.339 6.278 1.00 2.28 H new ATOM 0 HD11 ILE A 32 0.482 -4.880 4.399 1.00 1.57 H new ATOM 0 HD12 ILE A 32 -0.500 -5.698 5.638 1.00 1.57 H new ATOM 0 HD13 ILE A 32 1.040 -6.415 5.105 1.00 1.57 H new ATOM 485 N LEU A 33 1.294 -9.108 6.483 1.00 0.82 N ATOM 486 CA LEU A 33 1.387 -9.214 7.930 1.00 1.01 C ATOM 487 C LEU A 33 0.770 -7.951 8.519 1.00 0.89 C ATOM 488 O LEU A 33 -0.122 -8.020 9.361 1.00 0.97 O ATOM 489 CB LEU A 33 2.846 -9.309 8.403 1.00 1.21 C ATOM 490 CG LEU A 33 3.625 -10.579 8.036 1.00 1.71 C ATOM 491 CD1 LEU A 33 2.893 -11.862 8.443 1.00 2.96 C ATOM 492 CD2 LEU A 33 4.036 -10.643 6.564 1.00 2.31 C ATOM 0 H LEU A 33 2.089 -8.626 6.065 1.00 0.82 H new ATOM 0 HA LEU A 33 0.870 -10.117 8.254 1.00 1.01 H new ATOM 0 HB2 LEU A 33 3.387 -8.453 8.000 1.00 1.21 H new ATOM 0 HB3 LEU A 33 2.856 -9.210 9.488 1.00 1.21 H new ATOM 0 HG LEU A 33 4.542 -10.513 8.621 1.00 1.71 H new ATOM 0 HD11 LEU A 33 3.491 -12.728 8.159 1.00 2.96 H new ATOM 0 HD12 LEU A 33 2.739 -11.866 9.522 1.00 2.96 H new ATOM 0 HD13 LEU A 33 1.928 -11.906 7.938 1.00 2.96 H new ATOM 0 HD21 LEU A 33 4.582 -11.568 6.379 1.00 2.31 H new ATOM 0 HD22 LEU A 33 3.145 -10.616 5.936 1.00 2.31 H new ATOM 0 HD23 LEU A 33 4.674 -9.791 6.327 1.00 2.31 H new ATOM 504 N TYR A 34 1.278 -6.790 8.091 1.00 0.81 N ATOM 505 CA TYR A 34 0.931 -5.504 8.680 1.00 0.82 C ATOM 506 C TYR A 34 1.014 -4.398 7.629 1.00 0.77 C ATOM 507 O TYR A 34 1.867 -4.452 6.749 1.00 0.81 O ATOM 508 CB TYR A 34 1.894 -5.230 9.838 1.00 0.91 C ATOM 509 CG TYR A 34 1.632 -3.934 10.571 1.00 0.99 C ATOM 510 CD1 TYR A 34 0.607 -3.854 11.532 1.00 2.11 C ATOM 511 CD2 TYR A 34 2.358 -2.782 10.223 1.00 1.63 C ATOM 512 CE1 TYR A 34 0.303 -2.619 12.130 1.00 2.18 C ATOM 513 CE2 TYR A 34 2.065 -1.555 10.836 1.00 1.67 C ATOM 514 CZ TYR A 34 1.008 -1.464 11.755 1.00 1.16 C ATOM 515 OH TYR A 34 0.652 -0.252 12.264 1.00 1.29 O ATOM 0 H TYR A 34 1.944 -6.722 7.322 1.00 0.81 H new ATOM 0 HA TYR A 34 -0.093 -5.526 9.053 1.00 0.82 H new ATOM 0 HB2 TYR A 34 1.833 -6.054 10.548 1.00 0.91 H new ATOM 0 HB3 TYR A 34 2.913 -5.216 9.452 1.00 0.91 H new ATOM 0 HD1 TYR A 34 0.055 -4.740 11.809 1.00 2.11 H new ATOM 0 HD2 TYR A 34 3.142 -2.842 9.483 1.00 1.63 H new ATOM 0 HE1 TYR A 34 -0.473 -2.558 12.878 1.00 2.18 H new ATOM 0 HE2 TYR A 34 2.653 -0.680 10.601 1.00 1.67 H new ATOM 0 HH TYR A 34 0.693 0.425 11.556 1.00 1.29 H new ATOM 525 N CYS A 35 0.141 -3.392 7.721 1.00 0.85 N ATOM 526 CA CYS A 35 0.113 -2.240 6.827 1.00 0.79 C ATOM 527 C CYS A 35 0.107 -0.979 7.676 1.00 0.78 C ATOM 528 O CYS A 35 -0.451 -1.001 8.774 1.00 0.96 O ATOM 529 CB CYS A 35 -1.178 -2.262 6.003 1.00 0.87 C ATOM 530 SG CYS A 35 -1.119 -0.980 4.744 1.00 1.96 S ATOM 0 H CYS A 35 -0.583 -3.359 8.439 1.00 0.85 H new ATOM 0 HA CYS A 35 0.978 -2.266 6.165 1.00 0.79 H new ATOM 0 HB2 CYS A 35 -1.305 -3.238 5.535 1.00 0.87 H new ATOM 0 HB3 CYS A 35 -2.038 -2.106 6.654 1.00 0.87 H new ATOM 0 HG CYS A 35 0.116 -0.632 4.537 1.00 1.96 H new ATOM 536 N SER A 36 0.667 0.125 7.178 1.00 0.69 N ATOM 537 CA SER A 36 0.227 1.446 7.611 1.00 0.53 C ATOM 538 C SER A 36 0.384 2.413 6.446 1.00 0.50 C ATOM 539 O SER A 36 1.447 2.426 5.822 1.00 0.67 O ATOM 540 CB SER A 36 1.009 1.957 8.825 1.00 0.74 C ATOM 541 OG SER A 36 0.866 1.090 9.930 1.00 1.75 O ATOM 0 H SER A 36 1.415 0.129 6.485 1.00 0.69 H new ATOM 0 HA SER A 36 -0.816 1.374 7.918 1.00 0.53 H new ATOM 0 HB2 SER A 36 2.064 2.050 8.568 1.00 0.74 H new ATOM 0 HB3 SER A 36 0.657 2.953 9.094 1.00 0.74 H new ATOM 0 HG SER A 36 1.322 0.243 9.742 1.00 1.75 H new ATOM 547 N VAL A 37 -0.639 3.217 6.154 1.00 0.49 N ATOM 548 CA VAL A 37 -0.538 4.301 5.196 1.00 0.57 C ATOM 549 C VAL A 37 -0.522 5.659 5.915 1.00 0.71 C ATOM 550 O VAL A 37 -0.831 5.739 7.102 1.00 1.08 O ATOM 551 CB VAL A 37 -1.661 4.159 4.161 1.00 0.62 C ATOM 552 CG1 VAL A 37 -1.649 2.786 3.476 1.00 1.76 C ATOM 553 CG2 VAL A 37 -3.038 4.326 4.788 1.00 1.70 C ATOM 0 H VAL A 37 -1.561 3.128 6.581 1.00 0.49 H new ATOM 0 HA VAL A 37 0.407 4.249 4.655 1.00 0.57 H new ATOM 0 HB VAL A 37 -1.474 4.947 3.432 1.00 0.62 H new ATOM 0 HG11 VAL A 37 -2.462 2.733 2.752 1.00 1.76 H new ATOM 0 HG12 VAL A 37 -0.697 2.643 2.964 1.00 1.76 H new ATOM 0 HG13 VAL A 37 -1.779 2.005 4.225 1.00 1.76 H new ATOM 0 HG21 VAL A 37 -3.803 4.218 4.019 1.00 1.70 H new ATOM 0 HG22 VAL A 37 -3.183 3.565 5.555 1.00 1.70 H new ATOM 0 HG23 VAL A 37 -3.115 5.315 5.240 1.00 1.70 H new ATOM 563 N ALA A 38 -0.136 6.730 5.213 1.00 0.63 N ATOM 564 CA ALA A 38 -0.069 8.077 5.768 1.00 0.83 C ATOM 565 C ALA A 38 -0.344 9.116 4.689 1.00 0.68 C ATOM 566 O ALA A 38 0.175 9.010 3.578 1.00 0.59 O ATOM 567 CB ALA A 38 1.294 8.332 6.408 1.00 1.12 C ATOM 0 H ALA A 38 0.141 6.680 4.233 1.00 0.63 H new ATOM 0 HA ALA A 38 -0.835 8.163 6.539 1.00 0.83 H new ATOM 0 HB1 ALA A 38 1.321 9.343 6.815 1.00 1.12 H new ATOM 0 HB2 ALA A 38 1.460 7.613 7.210 1.00 1.12 H new ATOM 0 HB3 ALA A 38 2.075 8.223 5.656 1.00 1.12 H new ATOM 573 N LEU A 39 -1.152 10.124 5.033 1.00 0.83 N ATOM 574 CA LEU A 39 -1.583 11.172 4.114 1.00 0.79 C ATOM 575 C LEU A 39 -0.426 12.110 3.793 1.00 0.87 C ATOM 576 O LEU A 39 -0.098 12.289 2.625 1.00 0.92 O ATOM 577 CB LEU A 39 -2.761 11.968 4.692 1.00 1.22 C ATOM 578 CG LEU A 39 -4.047 11.149 4.875 1.00 1.36 C ATOM 579 CD1 LEU A 39 -5.115 12.046 5.506 1.00 2.18 C ATOM 580 CD2 LEU A 39 -4.582 10.601 3.546 1.00 2.66 C ATOM 0 H LEU A 39 -1.529 10.233 5.975 1.00 0.83 H new ATOM 0 HA LEU A 39 -1.915 10.691 3.194 1.00 0.79 H new ATOM 0 HB2 LEU A 39 -2.467 12.381 5.657 1.00 1.22 H new ATOM 0 HB3 LEU A 39 -2.972 12.812 4.035 1.00 1.22 H new ATOM 0 HG LEU A 39 -3.814 10.298 5.515 1.00 1.36 H new ATOM 0 HD11 LEU A 39 -6.035 11.477 5.642 1.00 2.18 H new ATOM 0 HD12 LEU A 39 -4.764 12.404 6.474 1.00 2.18 H new ATOM 0 HD13 LEU A 39 -5.308 12.897 4.852 1.00 2.18 H new ATOM 0 HD21 LEU A 39 -5.492 10.029 3.728 1.00 2.66 H new ATOM 0 HD22 LEU A 39 -4.803 11.430 2.873 1.00 2.66 H new ATOM 0 HD23 LEU A 39 -3.832 9.954 3.091 1.00 2.66 H new ATOM 592 N ALA A 40 0.189 12.702 4.824 1.00 1.03 N ATOM 593 CA ALA A 40 1.260 13.681 4.660 1.00 1.27 C ATOM 594 C ALA A 40 2.366 13.107 3.777 1.00 1.24 C ATOM 595 O ALA A 40 2.720 13.686 2.756 1.00 1.50 O ATOM 596 CB ALA A 40 1.805 14.093 6.030 1.00 1.55 C ATOM 0 H ALA A 40 -0.046 12.512 5.798 1.00 1.03 H new ATOM 0 HA ALA A 40 0.863 14.570 4.169 1.00 1.27 H new ATOM 0 HB1 ALA A 40 2.603 14.823 5.899 1.00 1.55 H new ATOM 0 HB2 ALA A 40 1.004 14.534 6.623 1.00 1.55 H new ATOM 0 HB3 ALA A 40 2.197 13.216 6.545 1.00 1.55 H new ATOM 602 N THR A 41 2.841 11.917 4.140 1.00 1.08 N ATOM 603 CA THR A 41 3.892 11.212 3.426 1.00 1.09 C ATOM 604 C THR A 41 3.355 10.551 2.156 1.00 0.99 C ATOM 605 O THR A 41 4.123 9.946 1.409 1.00 1.16 O ATOM 606 CB THR A 41 4.514 10.217 4.417 1.00 1.09 C ATOM 607 OG1 THR A 41 4.585 10.843 5.684 1.00 1.65 O ATOM 608 CG2 THR A 41 5.930 9.767 4.044 1.00 2.21 C ATOM 0 H THR A 41 2.496 11.410 4.955 1.00 1.08 H new ATOM 0 HA THR A 41 4.663 11.897 3.074 1.00 1.09 H new ATOM 0 HB THR A 41 3.880 9.330 4.410 1.00 1.09 H new ATOM 0 HG1 THR A 41 4.978 10.223 6.333 1.00 1.65 H new ATOM 0 HG21 THR A 41 6.298 9.066 4.793 1.00 2.21 H new ATOM 0 HG22 THR A 41 5.912 9.280 3.069 1.00 2.21 H new ATOM 0 HG23 THR A 41 6.589 10.634 4.004 1.00 2.21 H new ATOM 616 N ASN A 42 2.039 10.644 1.913 1.00 0.83 N ATOM 617 CA ASN A 42 1.357 10.070 0.767 1.00 0.78 C ATOM 618 C ASN A 42 1.818 8.636 0.544 1.00 0.74 C ATOM 619 O ASN A 42 2.090 8.218 -0.578 1.00 0.88 O ATOM 620 CB ASN A 42 1.583 10.990 -0.434 1.00 0.96 C ATOM 621 CG ASN A 42 0.818 10.489 -1.642 1.00 2.32 C ATOM 622 OD1 ASN A 42 1.409 10.198 -2.678 1.00 3.26 O ATOM 623 ND2 ASN A 42 -0.497 10.366 -1.517 1.00 3.29 N ATOM 0 H ASN A 42 1.406 11.142 2.539 1.00 0.83 H new ATOM 0 HA ASN A 42 0.282 10.006 0.933 1.00 0.78 H new ATOM 0 HB2 ASN A 42 1.263 12.003 -0.188 1.00 0.96 H new ATOM 0 HB3 ASN A 42 2.647 11.040 -0.666 1.00 0.96 H new ATOM 0 HD21 ASN A 42 -1.053 10.019 -2.298 1.00 3.29 H new ATOM 0 HD22 ASN A 42 -0.952 10.618 -0.640 1.00 3.29 H new ATOM 630 N LYS A 43 1.933 7.890 1.641 1.00 0.66 N ATOM 631 CA LYS A 43 2.661 6.638 1.674 1.00 0.68 C ATOM 632 C LYS A 43 1.713 5.503 2.001 1.00 0.64 C ATOM 633 O LYS A 43 0.801 5.682 2.802 1.00 0.75 O ATOM 634 CB LYS A 43 3.814 6.730 2.681 1.00 0.83 C ATOM 635 CG LYS A 43 4.694 5.468 2.655 1.00 1.24 C ATOM 636 CD LYS A 43 6.146 5.743 3.070 1.00 0.91 C ATOM 637 CE LYS A 43 6.901 6.503 1.961 1.00 1.27 C ATOM 638 NZ LYS A 43 8.353 6.618 2.209 1.00 1.47 N ATOM 0 H LYS A 43 1.517 8.146 2.536 1.00 0.66 H new ATOM 0 HA LYS A 43 3.095 6.436 0.695 1.00 0.68 H new ATOM 0 HB2 LYS A 43 4.425 7.604 2.456 1.00 0.83 H new ATOM 0 HB3 LYS A 43 3.411 6.872 3.684 1.00 0.83 H new ATOM 0 HG2 LYS A 43 4.266 4.719 3.322 1.00 1.24 H new ATOM 0 HG3 LYS A 43 4.683 5.044 1.651 1.00 1.24 H new ATOM 0 HD2 LYS A 43 6.161 6.326 3.991 1.00 0.91 H new ATOM 0 HD3 LYS A 43 6.653 4.801 3.281 1.00 0.91 H new ATOM 0 HE2 LYS A 43 6.742 5.994 1.010 1.00 1.27 H new ATOM 0 HE3 LYS A 43 6.477 7.502 1.863 1.00 1.27 H new ATOM 0 HZ1 LYS A 43 8.760 7.328 1.567 1.00 1.47 H new ATOM 0 HZ2 LYS A 43 8.515 6.909 3.194 1.00 1.47 H new ATOM 0 HZ3 LYS A 43 8.808 5.698 2.040 1.00 1.47 H new ATOM 652 N ALA A 44 1.974 4.338 1.415 1.00 0.62 N ATOM 653 CA ALA A 44 1.539 3.053 1.910 1.00 0.64 C ATOM 654 C ALA A 44 2.801 2.266 2.242 1.00 0.59 C ATOM 655 O ALA A 44 3.612 2.040 1.344 1.00 0.65 O ATOM 656 CB ALA A 44 0.702 2.347 0.840 1.00 0.75 C ATOM 0 H ALA A 44 2.514 4.270 0.552 1.00 0.62 H new ATOM 0 HA ALA A 44 0.912 3.147 2.797 1.00 0.64 H new ATOM 0 HB1 ALA A 44 0.375 1.377 1.215 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -0.169 2.956 0.599 1.00 0.75 H new ATOM 0 HB3 ALA A 44 1.304 2.204 -0.057 1.00 0.75 H new ATOM 662 N HIS A 45 2.990 1.876 3.507 1.00 0.56 N ATOM 663 CA HIS A 45 3.961 0.850 3.849 1.00 0.58 C ATOM 664 C HIS A 45 3.215 -0.466 3.990 1.00 0.58 C ATOM 665 O HIS A 45 2.171 -0.520 4.644 1.00 0.61 O ATOM 666 CB HIS A 45 4.830 1.223 5.063 1.00 0.69 C ATOM 667 CG HIS A 45 4.460 0.657 6.416 1.00 0.62 C ATOM 668 ND1 HIS A 45 4.572 1.349 7.600 1.00 0.86 N ATOM 669 CD2 HIS A 45 4.327 -0.672 6.740 1.00 0.64 C ATOM 670 CE1 HIS A 45 4.485 0.461 8.603 1.00 0.96 C ATOM 671 NE2 HIS A 45 4.337 -0.786 8.131 1.00 0.81 N ATOM 0 H HIS A 45 2.481 2.259 4.304 1.00 0.56 H new ATOM 0 HA HIS A 45 4.696 0.749 3.050 1.00 0.58 H new ATOM 0 HB2 HIS A 45 5.853 0.918 4.845 1.00 0.69 H new ATOM 0 HB3 HIS A 45 4.833 2.310 5.148 1.00 0.69 H new ATOM 0 HD1 HIS A 45 4.698 2.356 7.698 1.00 0.86 H new ATOM 0 HD2 HIS A 45 4.231 -1.488 6.039 1.00 0.64 H new ATOM 0 HE1 HIS A 45 4.528 0.717 9.651 1.00 0.96 H new ATOM 679 N ILE A 46 3.779 -1.516 3.396 1.00 0.58 N ATOM 680 CA ILE A 46 3.268 -2.865 3.433 1.00 0.55 C ATOM 681 C ILE A 46 4.374 -3.744 4.012 1.00 0.57 C ATOM 682 O ILE A 46 5.448 -3.840 3.423 1.00 0.68 O ATOM 683 CB ILE A 46 2.934 -3.326 2.008 1.00 0.67 C ATOM 684 CG1 ILE A 46 2.009 -2.367 1.243 1.00 0.83 C ATOM 685 CG2 ILE A 46 2.275 -4.703 2.056 1.00 0.71 C ATOM 686 CD1 ILE A 46 2.747 -1.237 0.529 1.00 1.26 C ATOM 0 H ILE A 46 4.640 -1.436 2.856 1.00 0.58 H new ATOM 0 HA ILE A 46 2.363 -2.927 4.037 1.00 0.55 H new ATOM 0 HB ILE A 46 3.882 -3.353 1.471 1.00 0.67 H new ATOM 0 HG12 ILE A 46 1.438 -2.936 0.509 1.00 0.83 H new ATOM 0 HG13 ILE A 46 1.291 -1.936 1.941 1.00 0.83 H new ATOM 0 HG21 ILE A 46 2.039 -5.029 1.043 1.00 0.71 H new ATOM 0 HG22 ILE A 46 2.958 -5.417 2.517 1.00 0.71 H new ATOM 0 HG23 ILE A 46 1.358 -4.647 2.643 1.00 0.71 H new ATOM 0 HD11 ILE A 46 2.027 -0.602 0.012 1.00 1.26 H new ATOM 0 HD12 ILE A 46 3.296 -0.643 1.259 1.00 1.26 H new ATOM 0 HD13 ILE A 46 3.445 -1.658 -0.194 1.00 1.26 H new ATOM 698 N LYS A 47 4.094 -4.401 5.135 1.00 0.55 N ATOM 699 CA LYS A 47 4.857 -5.531 5.637 1.00 0.59 C ATOM 700 C LYS A 47 4.140 -6.792 5.181 1.00 0.57 C ATOM 701 O LYS A 47 3.147 -7.177 5.798 1.00 0.86 O ATOM 702 CB LYS A 47 4.961 -5.518 7.161 1.00 0.68 C ATOM 703 CG LYS A 47 5.472 -4.184 7.699 1.00 0.65 C ATOM 704 CD LYS A 47 5.974 -4.416 9.125 1.00 0.92 C ATOM 705 CE LYS A 47 6.393 -3.087 9.769 1.00 1.23 C ATOM 706 NZ LYS A 47 6.889 -3.271 11.148 1.00 2.29 N ATOM 0 H LYS A 47 3.307 -4.152 5.734 1.00 0.55 H new ATOM 0 HA LYS A 47 5.875 -5.484 5.251 1.00 0.59 H new ATOM 0 HB2 LYS A 47 3.982 -5.729 7.591 1.00 0.68 H new ATOM 0 HB3 LYS A 47 5.629 -6.316 7.484 1.00 0.68 H new ATOM 0 HG2 LYS A 47 6.275 -3.800 7.069 1.00 0.65 H new ATOM 0 HG3 LYS A 47 4.677 -3.439 7.691 1.00 0.65 H new ATOM 0 HD2 LYS A 47 5.191 -4.885 9.721 1.00 0.92 H new ATOM 0 HD3 LYS A 47 6.820 -5.103 9.112 1.00 0.92 H new ATOM 0 HE2 LYS A 47 7.170 -2.620 9.164 1.00 1.23 H new ATOM 0 HE3 LYS A 47 5.543 -2.405 9.778 1.00 1.23 H new ATOM 0 HZ1 LYS A 47 7.161 -2.349 11.545 1.00 2.29 H new ATOM 0 HZ2 LYS A 47 6.140 -3.693 11.733 1.00 2.29 H new ATOM 0 HZ3 LYS A 47 7.716 -3.901 11.138 1.00 2.29 H new ATOM 720 N TYR A 48 4.611 -7.407 4.100 1.00 0.50 N ATOM 721 CA TYR A 48 4.010 -8.592 3.512 1.00 0.54 C ATOM 722 C TYR A 48 5.081 -9.593 3.087 1.00 0.59 C ATOM 723 O TYR A 48 6.273 -9.303 3.193 1.00 0.79 O ATOM 724 CB TYR A 48 3.131 -8.203 2.316 1.00 0.65 C ATOM 725 CG TYR A 48 3.879 -7.809 1.057 1.00 0.74 C ATOM 726 CD1 TYR A 48 4.735 -6.694 1.033 1.00 1.61 C ATOM 727 CD2 TYR A 48 3.734 -8.593 -0.100 1.00 2.12 C ATOM 728 CE1 TYR A 48 5.427 -6.372 -0.143 1.00 1.61 C ATOM 729 CE2 TYR A 48 4.336 -8.200 -1.305 1.00 2.31 C ATOM 730 CZ TYR A 48 5.188 -7.086 -1.324 1.00 1.19 C ATOM 731 OH TYR A 48 5.793 -6.698 -2.480 1.00 1.52 O ATOM 0 H TYR A 48 5.440 -7.085 3.600 1.00 0.50 H new ATOM 0 HA TYR A 48 3.384 -9.069 4.266 1.00 0.54 H new ATOM 0 HB2 TYR A 48 2.476 -9.042 2.081 1.00 0.65 H new ATOM 0 HB3 TYR A 48 2.491 -7.372 2.613 1.00 0.65 H new ATOM 0 HD1 TYR A 48 4.859 -6.087 1.918 1.00 1.61 H new ATOM 0 HD2 TYR A 48 3.155 -9.504 -0.062 1.00 2.12 H new ATOM 0 HE1 TYR A 48 6.149 -5.569 -0.138 1.00 1.61 H new ATOM 0 HE2 TYR A 48 4.144 -8.752 -2.213 1.00 2.31 H new ATOM 0 HH TYR A 48 6.655 -6.281 -2.274 1.00 1.52 H new ATOM 741 N ASP A 49 4.637 -10.738 2.557 1.00 0.64 N ATOM 742 CA ASP A 49 5.483 -11.797 2.031 1.00 0.78 C ATOM 743 C ASP A 49 5.407 -11.811 0.492 1.00 0.92 C ATOM 744 O ASP A 49 4.629 -12.587 -0.075 1.00 1.21 O ATOM 745 CB ASP A 49 5.011 -13.132 2.620 1.00 0.94 C ATOM 746 CG ASP A 49 5.096 -13.201 4.138 1.00 2.23 C ATOM 747 OD1 ASP A 49 6.164 -12.833 4.670 1.00 2.96 O ATOM 748 OD2 ASP A 49 4.085 -13.631 4.737 1.00 3.53 O ATOM 0 H ASP A 49 3.643 -10.953 2.483 1.00 0.64 H new ATOM 0 HA ASP A 49 6.523 -11.630 2.311 1.00 0.78 H new ATOM 0 HB2 ASP A 49 3.979 -13.308 2.315 1.00 0.94 H new ATOM 0 HB3 ASP A 49 5.610 -13.937 2.195 1.00 0.94 H new ATOM 753 N PRO A 50 6.190 -10.982 -0.225 1.00 1.04 N ATOM 754 CA PRO A 50 6.266 -11.016 -1.681 1.00 1.18 C ATOM 755 C PRO A 50 6.556 -12.404 -2.251 1.00 1.09 C ATOM 756 O PRO A 50 6.209 -12.657 -3.401 1.00 1.47 O ATOM 757 CB PRO A 50 7.340 -10.000 -2.092 1.00 1.36 C ATOM 758 CG PRO A 50 8.128 -9.739 -0.811 1.00 1.44 C ATOM 759 CD PRO A 50 7.094 -9.968 0.289 1.00 1.42 C ATOM 0 HA PRO A 50 5.292 -10.757 -2.097 1.00 1.18 H new ATOM 0 HB2 PRO A 50 7.981 -10.397 -2.879 1.00 1.36 H new ATOM 0 HB3 PRO A 50 6.893 -9.083 -2.477 1.00 1.36 H new ATOM 0 HG2 PRO A 50 8.975 -10.418 -0.714 1.00 1.44 H new ATOM 0 HG3 PRO A 50 8.527 -8.725 -0.783 1.00 1.44 H new ATOM 0 HD2 PRO A 50 7.571 -10.300 1.211 1.00 1.42 H new ATOM 0 HD3 PRO A 50 6.558 -9.047 0.521 1.00 1.42 H new ATOM 767 N GLU A 51 7.166 -13.300 -1.468 1.00 0.98 N ATOM 768 CA GLU A 51 7.340 -14.696 -1.848 1.00 1.26 C ATOM 769 C GLU A 51 6.029 -15.336 -2.337 1.00 1.22 C ATOM 770 O GLU A 51 6.048 -16.121 -3.283 1.00 1.62 O ATOM 771 CB GLU A 51 7.914 -15.466 -0.650 1.00 1.64 C ATOM 772 CG GLU A 51 8.490 -16.830 -1.048 1.00 2.75 C ATOM 773 CD GLU A 51 9.223 -17.473 0.120 1.00 3.21 C ATOM 774 OE1 GLU A 51 10.253 -16.891 0.525 1.00 2.89 O ATOM 775 OE2 GLU A 51 8.739 -18.525 0.590 1.00 4.44 O ATOM 0 H GLU A 51 7.552 -13.072 -0.552 1.00 0.98 H new ATOM 0 HA GLU A 51 8.034 -14.743 -2.687 1.00 1.26 H new ATOM 0 HB2 GLU A 51 8.695 -14.869 -0.179 1.00 1.64 H new ATOM 0 HB3 GLU A 51 7.131 -15.610 0.094 1.00 1.64 H new ATOM 0 HG2 GLU A 51 7.686 -17.485 -1.382 1.00 2.75 H new ATOM 0 HG3 GLU A 51 9.173 -16.709 -1.889 1.00 2.75 H new ATOM 782 N ILE A 52 4.906 -15.040 -1.667 1.00 1.04 N ATOM 783 CA ILE A 52 3.656 -15.780 -1.841 1.00 1.12 C ATOM 784 C ILE A 52 2.586 -15.006 -2.609 1.00 1.24 C ATOM 785 O ILE A 52 1.949 -15.571 -3.496 1.00 1.62 O ATOM 786 CB ILE A 52 3.129 -16.299 -0.491 1.00 1.12 C ATOM 787 CG1 ILE A 52 3.205 -15.249 0.624 1.00 1.01 C ATOM 788 CG2 ILE A 52 3.901 -17.573 -0.109 1.00 1.23 C ATOM 789 CD1 ILE A 52 2.483 -15.719 1.893 1.00 1.14 C ATOM 0 H ILE A 52 4.843 -14.280 -0.990 1.00 1.04 H new ATOM 0 HA ILE A 52 3.896 -16.639 -2.468 1.00 1.12 H new ATOM 0 HB ILE A 52 2.070 -16.528 -0.608 1.00 1.12 H new ATOM 0 HG12 ILE A 52 4.249 -15.039 0.856 1.00 1.01 H new ATOM 0 HG13 ILE A 52 2.761 -14.316 0.277 1.00 1.01 H new ATOM 0 HG21 ILE A 52 3.534 -17.948 0.847 1.00 1.23 H new ATOM 0 HG22 ILE A 52 3.754 -18.332 -0.877 1.00 1.23 H new ATOM 0 HG23 ILE A 52 4.963 -17.343 -0.025 1.00 1.23 H new ATOM 0 HD11 ILE A 52 2.558 -14.949 2.661 1.00 1.14 H new ATOM 0 HD12 ILE A 52 1.433 -15.904 1.667 1.00 1.14 H new ATOM 0 HD13 ILE A 52 2.944 -16.638 2.255 1.00 1.14 H new ATOM 801 N ILE A 53 2.356 -13.745 -2.246 1.00 1.02 N ATOM 802 CA ILE A 53 1.477 -12.857 -3.009 1.00 0.94 C ATOM 803 C ILE A 53 2.365 -12.153 -4.042 1.00 0.98 C ATOM 804 O ILE A 53 3.073 -12.837 -4.777 1.00 2.02 O ATOM 805 CB ILE A 53 0.619 -11.992 -2.056 1.00 0.92 C ATOM 806 CG1 ILE A 53 -0.514 -11.257 -2.801 1.00 1.20 C ATOM 807 CG2 ILE A 53 1.429 -11.057 -1.148 1.00 0.84 C ATOM 808 CD1 ILE A 53 -1.380 -10.419 -1.859 1.00 1.14 C ATOM 0 H ILE A 53 2.770 -13.311 -1.421 1.00 1.02 H new ATOM 0 HA ILE A 53 0.703 -13.367 -3.583 1.00 0.94 H new ATOM 0 HB ILE A 53 0.151 -12.701 -1.373 1.00 0.92 H new ATOM 0 HG12 ILE A 53 -0.083 -10.611 -3.566 1.00 1.20 H new ATOM 0 HG13 ILE A 53 -1.141 -11.986 -3.315 1.00 1.20 H new ATOM 0 HG21 ILE A 53 0.750 -10.488 -0.513 1.00 0.84 H new ATOM 0 HG22 ILE A 53 2.100 -11.647 -0.524 1.00 0.84 H new ATOM 0 HG23 ILE A 53 2.013 -10.371 -1.761 1.00 0.84 H new ATOM 0 HD11 ILE A 53 -2.163 -9.921 -2.431 1.00 1.14 H new ATOM 0 HD12 ILE A 53 -1.834 -11.067 -1.109 1.00 1.14 H new ATOM 0 HD13 ILE A 53 -0.761 -9.671 -1.365 1.00 1.14 H new ATOM 820 N GLY A 54 2.419 -10.821 -4.090 1.00 1.25 N ATOM 821 CA GLY A 54 3.383 -10.163 -4.938 1.00 1.14 C ATOM 822 C GLY A 54 3.237 -8.644 -4.885 1.00 0.80 C ATOM 823 O GLY A 54 2.210 -8.115 -4.459 1.00 0.68 O ATOM 0 H GLY A 54 1.814 -10.196 -3.558 1.00 1.25 H new ATOM 0 HA2 GLY A 54 4.390 -10.443 -4.629 1.00 1.14 H new ATOM 0 HA3 GLY A 54 3.258 -10.505 -5.965 1.00 1.14 H new ATOM 827 N PRO A 55 4.298 -7.929 -5.284 1.00 0.78 N ATOM 828 CA PRO A 55 4.299 -6.482 -5.425 1.00 0.70 C ATOM 829 C PRO A 55 3.303 -6.032 -6.495 1.00 0.64 C ATOM 830 O PRO A 55 2.597 -5.048 -6.298 1.00 0.60 O ATOM 831 CB PRO A 55 5.742 -6.102 -5.783 1.00 0.98 C ATOM 832 CG PRO A 55 6.348 -7.390 -6.348 1.00 1.15 C ATOM 833 CD PRO A 55 5.590 -8.500 -5.622 1.00 1.06 C ATOM 0 HA PRO A 55 3.983 -5.985 -4.508 1.00 0.70 H new ATOM 0 HB2 PRO A 55 5.770 -5.295 -6.516 1.00 0.98 H new ATOM 0 HB3 PRO A 55 6.291 -5.756 -4.907 1.00 0.98 H new ATOM 0 HG2 PRO A 55 6.214 -7.455 -7.428 1.00 1.15 H new ATOM 0 HG3 PRO A 55 7.419 -7.446 -6.156 1.00 1.15 H new ATOM 0 HD2 PRO A 55 5.477 -9.379 -6.257 1.00 1.06 H new ATOM 0 HD3 PRO A 55 6.124 -8.820 -4.727 1.00 1.06 H new ATOM 841 N ARG A 56 3.248 -6.745 -7.628 1.00 0.68 N ATOM 842 CA ARG A 56 2.302 -6.459 -8.703 1.00 0.71 C ATOM 843 C ARG A 56 0.884 -6.365 -8.142 1.00 0.58 C ATOM 844 O ARG A 56 0.209 -5.361 -8.345 1.00 0.55 O ATOM 845 CB ARG A 56 2.382 -7.541 -9.793 1.00 0.88 C ATOM 846 CG ARG A 56 3.345 -7.174 -10.929 1.00 1.56 C ATOM 847 CD ARG A 56 4.796 -7.000 -10.469 1.00 2.49 C ATOM 848 NE ARG A 56 5.661 -6.677 -11.614 1.00 3.37 N ATOM 849 CZ ARG A 56 6.978 -6.422 -11.540 1.00 4.73 C ATOM 850 NH1 ARG A 56 7.598 -6.467 -10.358 1.00 5.66 N ATOM 851 NH2 ARG A 56 7.664 -6.124 -12.650 1.00 5.73 N ATOM 0 H ARG A 56 3.861 -7.537 -7.821 1.00 0.68 H new ATOM 0 HA ARG A 56 2.563 -5.502 -9.154 1.00 0.71 H new ATOM 0 HB2 ARG A 56 2.701 -8.481 -9.342 1.00 0.88 H new ATOM 0 HB3 ARG A 56 1.387 -7.707 -10.206 1.00 0.88 H new ATOM 0 HG2 ARG A 56 3.305 -7.950 -11.693 1.00 1.56 H new ATOM 0 HG3 ARG A 56 3.007 -6.249 -11.396 1.00 1.56 H new ATOM 0 HD2 ARG A 56 4.856 -6.206 -9.725 1.00 2.49 H new ATOM 0 HD3 ARG A 56 5.144 -7.914 -9.988 1.00 2.49 H new ATOM 0 HE ARG A 56 5.227 -6.644 -12.536 1.00 3.37 H new ATOM 0 HH11 ARG A 56 7.072 -6.695 -9.514 1.00 5.66 H new ATOM 0 HH12 ARG A 56 8.598 -6.274 -10.299 1.00 5.66 H new ATOM 0 HH21 ARG A 56 7.187 -6.091 -13.551 1.00 5.73 H new ATOM 0 HH22 ARG A 56 8.664 -5.930 -12.595 1.00 5.73 H new ATOM 865 N ASP A 57 0.455 -7.406 -7.430 1.00 0.56 N ATOM 866 CA ASP A 57 -0.847 -7.532 -6.797 1.00 0.52 C ATOM 867 C ASP A 57 -1.186 -6.239 -6.057 1.00 0.43 C ATOM 868 O ASP A 57 -2.221 -5.615 -6.291 1.00 0.43 O ATOM 869 CB ASP A 57 -0.833 -8.723 -5.815 1.00 0.57 C ATOM 870 CG ASP A 57 -0.209 -10.000 -6.373 1.00 2.48 C ATOM 871 OD1 ASP A 57 0.938 -9.903 -6.871 1.00 4.11 O ATOM 872 OD2 ASP A 57 -0.876 -11.050 -6.264 1.00 3.27 O ATOM 0 H ASP A 57 1.042 -8.226 -7.274 1.00 0.56 H new ATOM 0 HA ASP A 57 -1.606 -7.711 -7.558 1.00 0.52 H new ATOM 0 HB2 ASP A 57 -0.288 -8.430 -4.917 1.00 0.57 H new ATOM 0 HB3 ASP A 57 -1.857 -8.938 -5.510 1.00 0.57 H new ATOM 877 N ILE A 58 -0.282 -5.830 -5.167 1.00 0.42 N ATOM 878 CA ILE A 58 -0.407 -4.608 -4.388 1.00 0.45 C ATOM 879 C ILE A 58 -0.536 -3.408 -5.319 1.00 0.48 C ATOM 880 O ILE A 58 -1.554 -2.721 -5.274 1.00 0.50 O ATOM 881 CB ILE A 58 0.762 -4.508 -3.396 1.00 0.54 C ATOM 882 CG1 ILE A 58 0.624 -5.614 -2.334 1.00 0.59 C ATOM 883 CG2 ILE A 58 0.805 -3.136 -2.713 1.00 0.59 C ATOM 884 CD1 ILE A 58 1.962 -5.914 -1.663 1.00 0.87 C ATOM 0 H ILE A 58 0.572 -6.351 -4.967 1.00 0.42 H new ATOM 0 HA ILE A 58 -1.318 -4.623 -3.790 1.00 0.45 H new ATOM 0 HB ILE A 58 1.692 -4.634 -3.950 1.00 0.54 H new ATOM 0 HG12 ILE A 58 -0.102 -5.308 -1.581 1.00 0.59 H new ATOM 0 HG13 ILE A 58 0.237 -6.521 -2.799 1.00 0.59 H new ATOM 0 HG21 ILE A 58 1.644 -3.102 -2.018 1.00 0.59 H new ATOM 0 HG22 ILE A 58 0.926 -2.358 -3.467 1.00 0.59 H new ATOM 0 HG23 ILE A 58 -0.124 -2.972 -2.168 1.00 0.59 H new ATOM 0 HD11 ILE A 58 1.828 -6.699 -0.919 1.00 0.87 H new ATOM 0 HD12 ILE A 58 2.680 -6.244 -2.414 1.00 0.87 H new ATOM 0 HD13 ILE A 58 2.335 -5.013 -1.176 1.00 0.87 H new ATOM 896 N ILE A 59 0.467 -3.156 -6.164 1.00 0.53 N ATOM 897 CA ILE A 59 0.459 -2.015 -7.073 1.00 0.62 C ATOM 898 C ILE A 59 -0.881 -1.934 -7.818 1.00 0.52 C ATOM 899 O ILE A 59 -1.506 -0.877 -7.850 1.00 0.57 O ATOM 900 CB ILE A 59 1.705 -2.056 -7.992 1.00 0.79 C ATOM 901 CG1 ILE A 59 2.870 -1.237 -7.410 1.00 1.13 C ATOM 902 CG2 ILE A 59 1.424 -1.541 -9.413 1.00 1.43 C ATOM 903 CD1 ILE A 59 3.438 -1.815 -6.112 1.00 1.74 C ATOM 0 H ILE A 59 1.303 -3.737 -6.235 1.00 0.53 H new ATOM 0 HA ILE A 59 0.536 -1.084 -6.512 1.00 0.62 H new ATOM 0 HB ILE A 59 1.976 -3.110 -8.048 1.00 0.79 H new ATOM 0 HG12 ILE A 59 3.667 -1.178 -8.151 1.00 1.13 H new ATOM 0 HG13 ILE A 59 2.530 -0.218 -7.226 1.00 1.13 H new ATOM 0 HG21 ILE A 59 2.336 -1.596 -10.007 1.00 1.43 H new ATOM 0 HG22 ILE A 59 0.652 -2.155 -9.877 1.00 1.43 H new ATOM 0 HG23 ILE A 59 1.084 -0.507 -9.364 1.00 1.43 H new ATOM 0 HD11 ILE A 59 4.255 -1.186 -5.760 1.00 1.74 H new ATOM 0 HD12 ILE A 59 2.654 -1.848 -5.355 1.00 1.74 H new ATOM 0 HD13 ILE A 59 3.809 -2.823 -6.295 1.00 1.74 H new ATOM 915 N HIS A 60 -1.353 -3.056 -8.359 1.00 0.48 N ATOM 916 CA HIS A 60 -2.588 -3.117 -9.124 1.00 0.53 C ATOM 917 C HIS A 60 -3.817 -2.932 -8.233 1.00 0.46 C ATOM 918 O HIS A 60 -4.804 -2.336 -8.661 1.00 0.53 O ATOM 919 CB HIS A 60 -2.641 -4.406 -9.946 1.00 0.64 C ATOM 920 CG HIS A 60 -1.558 -4.455 -10.996 1.00 1.04 C ATOM 921 ND1 HIS A 60 -1.200 -3.422 -11.836 1.00 1.97 N ATOM 922 CD2 HIS A 60 -0.711 -5.501 -11.243 1.00 1.56 C ATOM 923 CE1 HIS A 60 -0.153 -3.842 -12.565 1.00 2.33 C ATOM 924 NE2 HIS A 60 0.188 -5.101 -12.238 1.00 2.04 N ATOM 0 H HIS A 60 -0.880 -3.956 -8.275 1.00 0.48 H new ATOM 0 HA HIS A 60 -2.602 -2.283 -9.825 1.00 0.53 H new ATOM 0 HB2 HIS A 60 -2.540 -5.264 -9.281 1.00 0.64 H new ATOM 0 HB3 HIS A 60 -3.616 -4.489 -10.427 1.00 0.64 H new ATOM 0 HD1 HIS A 60 -1.648 -2.507 -11.893 1.00 1.97 H new ATOM 0 HD2 HIS A 60 -0.733 -6.465 -10.756 1.00 1.56 H new ATOM 0 HE1 HIS A 60 0.348 -3.247 -13.314 1.00 2.33 H new ATOM 932 N THR A 61 -3.775 -3.399 -6.983 1.00 0.42 N ATOM 933 CA THR A 61 -4.831 -3.082 -6.031 1.00 0.46 C ATOM 934 C THR A 61 -4.903 -1.562 -5.862 1.00 0.40 C ATOM 935 O THR A 61 -5.956 -0.964 -6.062 1.00 0.44 O ATOM 936 CB THR A 61 -4.614 -3.817 -4.698 1.00 0.62 C ATOM 937 OG1 THR A 61 -4.583 -5.211 -4.926 1.00 0.78 O ATOM 938 CG2 THR A 61 -5.742 -3.537 -3.700 1.00 0.80 C ATOM 0 H THR A 61 -3.030 -3.990 -6.614 1.00 0.42 H new ATOM 0 HA THR A 61 -5.791 -3.430 -6.411 1.00 0.46 H new ATOM 0 HB THR A 61 -3.672 -3.458 -4.283 1.00 0.62 H new ATOM 0 HG1 THR A 61 -3.774 -5.442 -5.428 1.00 0.78 H new ATOM 0 HG21 THR A 61 -5.549 -4.076 -2.772 1.00 0.80 H new ATOM 0 HG22 THR A 61 -5.790 -2.467 -3.495 1.00 0.80 H new ATOM 0 HG23 THR A 61 -6.691 -3.868 -4.121 1.00 0.80 H new ATOM 946 N ILE A 62 -3.783 -0.929 -5.513 1.00 0.43 N ATOM 947 CA ILE A 62 -3.707 0.508 -5.280 1.00 0.62 C ATOM 948 C ILE A 62 -4.149 1.302 -6.520 1.00 0.60 C ATOM 949 O ILE A 62 -4.946 2.237 -6.406 1.00 0.65 O ATOM 950 CB ILE A 62 -2.288 0.847 -4.790 1.00 0.88 C ATOM 951 CG1 ILE A 62 -1.919 0.074 -3.504 1.00 0.99 C ATOM 952 CG2 ILE A 62 -2.128 2.350 -4.553 1.00 1.19 C ATOM 953 CD1 ILE A 62 -2.997 0.103 -2.425 1.00 1.34 C ATOM 0 H ILE A 62 -2.892 -1.409 -5.383 1.00 0.43 H new ATOM 0 HA ILE A 62 -4.408 0.808 -4.500 1.00 0.62 H new ATOM 0 HB ILE A 62 -1.604 0.538 -5.580 1.00 0.88 H new ATOM 0 HG12 ILE A 62 -1.710 -0.963 -3.765 1.00 0.99 H new ATOM 0 HG13 ILE A 62 -0.999 0.491 -3.094 1.00 0.99 H new ATOM 0 HG21 ILE A 62 -1.115 2.558 -4.207 1.00 1.19 H new ATOM 0 HG22 ILE A 62 -2.311 2.887 -5.484 1.00 1.19 H new ATOM 0 HG23 ILE A 62 -2.843 2.678 -3.799 1.00 1.19 H new ATOM 0 HD11 ILE A 62 -2.658 -0.463 -1.557 1.00 1.34 H new ATOM 0 HD12 ILE A 62 -3.191 1.135 -2.132 1.00 1.34 H new ATOM 0 HD13 ILE A 62 -3.913 -0.343 -2.814 1.00 1.34 H new ATOM 965 N GLU A 63 -3.680 0.891 -7.700 1.00 0.59 N ATOM 966 CA GLU A 63 -4.133 1.375 -8.989 1.00 0.70 C ATOM 967 C GLU A 63 -5.665 1.313 -9.039 1.00 0.61 C ATOM 968 O GLU A 63 -6.330 2.331 -9.218 1.00 0.74 O ATOM 969 CB GLU A 63 -3.458 0.492 -10.045 1.00 0.81 C ATOM 970 CG GLU A 63 -3.671 0.927 -11.492 1.00 1.02 C ATOM 971 CD GLU A 63 -3.097 -0.089 -12.480 1.00 1.81 C ATOM 972 OE1 GLU A 63 -2.319 -0.965 -12.036 1.00 2.90 O ATOM 973 OE2 GLU A 63 -3.460 0.015 -13.670 1.00 2.59 O ATOM 0 H GLU A 63 -2.947 0.186 -7.778 1.00 0.59 H new ATOM 0 HA GLU A 63 -3.864 2.415 -9.173 1.00 0.70 H new ATOM 0 HB2 GLU A 63 -2.387 0.468 -9.844 1.00 0.81 H new ATOM 0 HB3 GLU A 63 -3.826 -0.528 -9.931 1.00 0.81 H new ATOM 0 HG2 GLU A 63 -4.737 1.055 -11.680 1.00 1.02 H new ATOM 0 HG3 GLU A 63 -3.200 1.897 -11.653 1.00 1.02 H new ATOM 980 N SER A 64 -6.232 0.124 -8.814 1.00 0.51 N ATOM 981 CA SER A 64 -7.678 -0.085 -8.807 1.00 0.55 C ATOM 982 C SER A 64 -8.400 0.792 -7.777 1.00 0.47 C ATOM 983 O SER A 64 -9.514 1.244 -8.035 1.00 0.53 O ATOM 984 CB SER A 64 -8.013 -1.563 -8.587 1.00 0.76 C ATOM 985 OG SER A 64 -7.396 -2.373 -9.567 1.00 1.91 O ATOM 0 H SER A 64 -5.695 -0.724 -8.631 1.00 0.51 H new ATOM 0 HA SER A 64 -8.042 0.218 -9.789 1.00 0.55 H new ATOM 0 HB2 SER A 64 -7.683 -1.871 -7.595 1.00 0.76 H new ATOM 0 HB3 SER A 64 -9.093 -1.704 -8.621 1.00 0.76 H new ATOM 0 HG SER A 64 -6.439 -2.452 -9.371 1.00 1.91 H new ATOM 991 N LEU A 65 -7.798 1.039 -6.608 1.00 0.53 N ATOM 992 CA LEU A 65 -8.363 1.959 -5.622 1.00 0.77 C ATOM 993 C LEU A 65 -8.408 3.401 -6.135 1.00 0.87 C ATOM 994 O LEU A 65 -9.124 4.220 -5.563 1.00 1.14 O ATOM 995 CB LEU A 65 -7.587 1.921 -4.295 1.00 1.02 C ATOM 996 CG LEU A 65 -7.612 0.581 -3.547 1.00 1.15 C ATOM 997 CD1 LEU A 65 -6.882 0.752 -2.212 1.00 2.35 C ATOM 998 CD2 LEU A 65 -9.040 0.088 -3.308 1.00 1.42 C ATOM 0 H LEU A 65 -6.917 0.611 -6.324 1.00 0.53 H new ATOM 0 HA LEU A 65 -9.384 1.618 -5.449 1.00 0.77 H new ATOM 0 HB2 LEU A 65 -6.549 2.185 -4.495 1.00 1.02 H new ATOM 0 HB3 LEU A 65 -7.991 2.691 -3.637 1.00 1.02 H new ATOM 0 HG LEU A 65 -7.113 -0.170 -4.160 1.00 1.15 H new ATOM 0 HD11 LEU A 65 -6.891 -0.193 -1.669 1.00 2.35 H new ATOM 0 HD12 LEU A 65 -5.851 1.054 -2.397 1.00 2.35 H new ATOM 0 HD13 LEU A 65 -7.383 1.517 -1.619 1.00 2.35 H new ATOM 0 HD21 LEU A 65 -9.012 -0.863 -2.776 1.00 1.42 H new ATOM 0 HD22 LEU A 65 -9.583 0.821 -2.712 1.00 1.42 H new ATOM 0 HD23 LEU A 65 -9.544 -0.046 -4.265 1.00 1.42 H new ATOM 1010 N GLY A 66 -7.650 3.723 -7.185 1.00 0.86 N ATOM 1011 CA GLY A 66 -7.580 5.061 -7.740 1.00 1.02 C ATOM 1012 C GLY A 66 -6.535 5.894 -7.006 1.00 0.92 C ATOM 1013 O GLY A 66 -6.726 7.096 -6.823 1.00 1.20 O ATOM 0 H GLY A 66 -7.063 3.048 -7.674 1.00 0.86 H new ATOM 0 HA2 GLY A 66 -7.331 5.008 -8.800 1.00 1.02 H new ATOM 0 HA3 GLY A 66 -8.555 5.543 -7.665 1.00 1.02 H new ATOM 1017 N PHE A 67 -5.416 5.269 -6.624 1.00 0.67 N ATOM 1018 CA PHE A 67 -4.219 5.973 -6.189 1.00 0.74 C ATOM 1019 C PHE A 67 -3.069 5.479 -7.059 1.00 0.84 C ATOM 1020 O PHE A 67 -3.116 4.349 -7.535 1.00 1.10 O ATOM 1021 CB PHE A 67 -3.944 5.718 -4.704 1.00 0.70 C ATOM 1022 CG PHE A 67 -5.137 5.905 -3.789 1.00 0.71 C ATOM 1023 CD1 PHE A 67 -5.779 7.154 -3.716 1.00 1.88 C ATOM 1024 CD2 PHE A 67 -5.654 4.812 -3.068 1.00 1.56 C ATOM 1025 CE1 PHE A 67 -6.920 7.317 -2.914 1.00 1.97 C ATOM 1026 CE2 PHE A 67 -6.779 4.982 -2.242 1.00 1.50 C ATOM 1027 CZ PHE A 67 -7.409 6.234 -2.161 1.00 0.81 C ATOM 0 H PHE A 67 -5.321 4.253 -6.610 1.00 0.67 H new ATOM 0 HA PHE A 67 -4.342 7.050 -6.299 1.00 0.74 H new ATOM 0 HB2 PHE A 67 -3.573 4.700 -4.589 1.00 0.70 H new ATOM 0 HB3 PHE A 67 -3.147 6.386 -4.378 1.00 0.70 H new ATOM 0 HD1 PHE A 67 -5.393 7.991 -4.279 1.00 1.88 H new ATOM 0 HD2 PHE A 67 -5.186 3.842 -3.149 1.00 1.56 H new ATOM 0 HE1 PHE A 67 -7.422 8.273 -2.875 1.00 1.97 H new ATOM 0 HE2 PHE A 67 -7.159 4.149 -1.669 1.00 1.50 H new ATOM 0 HZ PHE A 67 -8.269 6.366 -1.521 1.00 0.81 H new ATOM 1037 N GLU A 68 -2.062 6.322 -7.278 1.00 0.88 N ATOM 1038 CA GLU A 68 -1.003 6.115 -8.251 1.00 0.96 C ATOM 1039 C GLU A 68 0.287 5.705 -7.542 1.00 0.90 C ATOM 1040 O GLU A 68 0.932 6.576 -6.947 1.00 0.79 O ATOM 1041 CB GLU A 68 -0.849 7.420 -9.056 1.00 1.16 C ATOM 1042 CG GLU A 68 0.316 7.433 -10.056 1.00 2.65 C ATOM 1043 CD GLU A 68 0.145 6.391 -11.150 1.00 4.19 C ATOM 1044 OE1 GLU A 68 0.411 5.211 -10.842 1.00 5.54 O ATOM 1045 OE2 GLU A 68 -0.251 6.798 -12.261 1.00 4.84 O ATOM 0 H GLU A 68 -1.962 7.197 -6.763 1.00 0.88 H new ATOM 0 HA GLU A 68 -1.245 5.304 -8.938 1.00 0.96 H new ATOM 0 HB2 GLU A 68 -1.776 7.606 -9.599 1.00 1.16 H new ATOM 0 HB3 GLU A 68 -0.718 8.246 -8.358 1.00 1.16 H new ATOM 0 HG2 GLU A 68 0.394 8.422 -10.508 1.00 2.65 H new ATOM 0 HG3 GLU A 68 1.250 7.250 -9.525 1.00 2.65 H new ATOM 1052 N PRO A 69 0.649 4.407 -7.527 1.00 1.04 N ATOM 1053 CA PRO A 69 1.760 3.945 -6.728 1.00 0.99 C ATOM 1054 C PRO A 69 3.124 4.290 -7.336 1.00 0.99 C ATOM 1055 O PRO A 69 3.284 4.517 -8.532 1.00 1.67 O ATOM 1056 CB PRO A 69 1.562 2.440 -6.555 1.00 1.16 C ATOM 1057 CG PRO A 69 0.782 2.026 -7.797 1.00 1.33 C ATOM 1058 CD PRO A 69 -0.057 3.270 -8.110 1.00 1.30 C ATOM 0 HA PRO A 69 1.770 4.452 -5.763 1.00 0.99 H new ATOM 0 HB2 PRO A 69 2.516 1.917 -6.490 1.00 1.16 H new ATOM 0 HB3 PRO A 69 1.011 2.212 -5.643 1.00 1.16 H new ATOM 0 HG2 PRO A 69 1.445 1.769 -8.623 1.00 1.33 H new ATOM 0 HG3 PRO A 69 0.156 1.154 -7.608 1.00 1.33 H new ATOM 0 HD2 PRO A 69 -0.174 3.397 -9.186 1.00 1.30 H new ATOM 0 HD3 PRO A 69 -1.058 3.178 -7.689 1.00 1.30 H new ATOM 1066 N SER A 70 4.148 4.305 -6.489 1.00 1.33 N ATOM 1067 CA SER A 70 5.544 4.277 -6.880 1.00 1.52 C ATOM 1068 C SER A 70 6.316 3.696 -5.707 1.00 1.45 C ATOM 1069 O SER A 70 6.105 4.152 -4.587 1.00 1.38 O ATOM 1070 CB SER A 70 6.067 5.693 -7.097 1.00 1.78 C ATOM 1071 OG SER A 70 5.350 6.445 -8.056 1.00 1.90 O ATOM 0 H SER A 70 4.019 4.338 -5.478 1.00 1.33 H new ATOM 0 HA SER A 70 5.658 3.700 -7.798 1.00 1.52 H new ATOM 0 HB2 SER A 70 6.043 6.225 -6.146 1.00 1.78 H new ATOM 0 HB3 SER A 70 7.111 5.637 -7.405 1.00 1.78 H new ATOM 0 HG SER A 70 4.658 5.882 -8.462 1.00 1.90 H new ATOM 1077 N LEU A 71 7.222 2.747 -5.941 1.00 1.62 N ATOM 1078 CA LEU A 71 8.079 2.235 -4.880 1.00 1.66 C ATOM 1079 C LEU A 71 8.820 3.374 -4.166 1.00 1.85 C ATOM 1080 O LEU A 71 9.140 4.386 -4.790 1.00 1.91 O ATOM 1081 CB LEU A 71 9.041 1.177 -5.442 1.00 1.87 C ATOM 1082 CG LEU A 71 10.073 1.743 -6.436 1.00 2.13 C ATOM 1083 CD1 LEU A 71 11.418 2.041 -5.760 1.00 3.32 C ATOM 1084 CD2 LEU A 71 10.308 0.743 -7.575 1.00 2.87 C ATOM 0 H LEU A 71 7.379 2.320 -6.854 1.00 1.62 H new ATOM 0 HA LEU A 71 7.456 1.751 -4.128 1.00 1.66 H new ATOM 0 HB2 LEU A 71 9.569 0.703 -4.615 1.00 1.87 H new ATOM 0 HB3 LEU A 71 8.461 0.399 -5.938 1.00 1.87 H new ATOM 0 HG LEU A 71 9.666 2.677 -6.824 1.00 2.13 H new ATOM 0 HD11 LEU A 71 12.116 2.438 -6.497 1.00 3.32 H new ATOM 0 HD12 LEU A 71 11.272 2.774 -4.967 1.00 3.32 H new ATOM 0 HD13 LEU A 71 11.823 1.123 -5.335 1.00 3.32 H new ATOM 0 HD21 LEU A 71 11.039 1.152 -8.273 1.00 2.87 H new ATOM 0 HD22 LEU A 71 10.683 -0.195 -7.164 1.00 2.87 H new ATOM 0 HD23 LEU A 71 9.369 0.560 -8.098 1.00 2.87 H new