USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 542 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 25 SER OG : rot 140:sc= 0.295 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 172:sc= 1.46 (180deg=0.862) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.0793 USER MOD Set 2.2: A 18 CYS SG : rot -92:sc= 0.0797 USER MOD Set 3.1: A 17 SER OG : rot 49:sc= 1.36 USER MOD Set 3.2: A 20 HIS : no HE2:sc= -0.761 K(o=0.6,f=-2.8) USER MOD Single : A 13 MET CE :methyl 178:sc= -0.803 (180deg=-0.813) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.18) USER MOD Single : A 24 SER OG : rot 86:sc= 1.07 USER MOD Single : A 27 THR OG1 : rot 18:sc= 0.852 USER MOD Single : A 29 HIS : no HE2:sc= -0.4 K(o=-0.4,f=-5.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 40:sc= -0.198 USER MOD Single : A 36 SER OG : rot -55:sc= 0.383 USER MOD Single : A 41 THR OG1 : rot -48:sc= 0.653 USER MOD Single : A 42 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.031) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.07) USER MOD Single : A 45 HIS : no HE2:sc= -2.06 X(o=-2.1,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.7!) USER MOD Single : A 61 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 9:sc= 0.562 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.796 -1.376 -6.700 1.00 1.39 N ATOM 47 CA VAL A 5 -8.608 -0.671 -6.255 1.00 0.99 C ATOM 48 C VAL A 5 -8.972 0.051 -4.964 1.00 1.01 C ATOM 49 O VAL A 5 -10.121 0.463 -4.809 1.00 1.37 O ATOM 50 CB VAL A 5 -8.103 0.283 -7.356 1.00 1.14 C ATOM 51 CG1 VAL A 5 -9.159 1.303 -7.804 1.00 2.32 C ATOM 52 CG2 VAL A 5 -6.839 1.022 -6.907 1.00 2.60 C ATOM 0 HA VAL A 5 -7.783 -1.357 -6.059 1.00 0.99 H new ATOM 0 HB VAL A 5 -7.875 -0.350 -8.213 1.00 1.14 H new ATOM 0 HG11 VAL A 5 -8.740 1.944 -8.580 1.00 2.32 H new ATOM 0 HG12 VAL A 5 -10.029 0.777 -8.198 1.00 2.32 H new ATOM 0 HG13 VAL A 5 -9.459 1.914 -6.952 1.00 2.32 H new ATOM 0 HG21 VAL A 5 -6.505 1.688 -7.703 1.00 2.60 H new ATOM 0 HG22 VAL A 5 -7.057 1.606 -6.013 1.00 2.60 H new ATOM 0 HG23 VAL A 5 -6.054 0.299 -6.685 1.00 2.60 H new ATOM 62 N LEU A 6 -8.015 0.192 -4.045 1.00 0.82 N ATOM 63 CA LEU A 6 -8.137 1.085 -2.905 1.00 0.89 C ATOM 64 C LEU A 6 -6.853 1.905 -2.837 1.00 0.87 C ATOM 65 O LEU A 6 -5.770 1.377 -3.113 1.00 0.86 O ATOM 66 CB LEU A 6 -8.371 0.315 -1.597 1.00 1.02 C ATOM 67 CG LEU A 6 -9.769 -0.328 -1.504 1.00 2.21 C ATOM 68 CD1 LEU A 6 -9.788 -1.768 -2.032 1.00 3.20 C ATOM 69 CD2 LEU A 6 -10.238 -0.334 -0.043 1.00 2.62 C ATOM 0 H LEU A 6 -7.131 -0.316 -4.076 1.00 0.82 H new ATOM 0 HA LEU A 6 -9.004 1.733 -3.030 1.00 0.89 H new ATOM 0 HB2 LEU A 6 -7.614 -0.464 -1.503 1.00 1.02 H new ATOM 0 HB3 LEU A 6 -8.235 0.994 -0.755 1.00 1.02 H new ATOM 0 HG LEU A 6 -10.437 0.268 -2.125 1.00 2.21 H new ATOM 0 HD11 LEU A 6 -10.795 -2.175 -1.944 1.00 3.20 H new ATOM 0 HD12 LEU A 6 -9.484 -1.776 -3.079 1.00 3.20 H new ATOM 0 HD13 LEU A 6 -9.098 -2.378 -1.449 1.00 3.20 H new ATOM 0 HD21 LEU A 6 -11.226 -0.789 0.020 1.00 2.62 H new ATOM 0 HD22 LEU A 6 -9.536 -0.907 0.562 1.00 2.62 H new ATOM 0 HD23 LEU A 6 -10.286 0.690 0.328 1.00 2.62 H new ATOM 81 N GLU A 7 -6.995 3.187 -2.492 1.00 0.94 N ATOM 82 CA GLU A 7 -5.896 4.116 -2.319 1.00 0.97 C ATOM 83 C GLU A 7 -5.635 4.333 -0.831 1.00 0.93 C ATOM 84 O GLU A 7 -6.563 4.324 -0.024 1.00 1.54 O ATOM 85 CB GLU A 7 -6.190 5.436 -3.035 1.00 1.21 C ATOM 86 CG GLU A 7 -6.438 5.237 -4.536 1.00 1.33 C ATOM 87 CD GLU A 7 -6.407 6.567 -5.268 1.00 1.83 C ATOM 88 OE1 GLU A 7 -5.279 7.065 -5.491 1.00 2.21 O ATOM 89 OE2 GLU A 7 -7.496 7.106 -5.538 1.00 3.02 O ATOM 0 H GLU A 7 -7.907 3.611 -2.322 1.00 0.94 H new ATOM 0 HA GLU A 7 -4.996 3.696 -2.767 1.00 0.97 H new ATOM 0 HB2 GLU A 7 -7.063 5.906 -2.583 1.00 1.21 H new ATOM 0 HB3 GLU A 7 -5.352 6.119 -2.894 1.00 1.21 H new ATOM 0 HG2 GLU A 7 -5.680 4.571 -4.949 1.00 1.33 H new ATOM 0 HG3 GLU A 7 -7.404 4.755 -4.689 1.00 1.33 H new ATOM 96 N LEU A 8 -4.364 4.518 -0.481 1.00 0.52 N ATOM 97 CA LEU A 8 -3.892 4.766 0.867 1.00 0.49 C ATOM 98 C LEU A 8 -2.862 5.885 0.788 1.00 0.50 C ATOM 99 O LEU A 8 -1.845 5.757 0.108 1.00 0.52 O ATOM 100 CB LEU A 8 -3.358 3.489 1.538 1.00 0.65 C ATOM 101 CG LEU A 8 -2.438 2.649 0.640 1.00 1.10 C ATOM 102 CD1 LEU A 8 -1.380 1.943 1.493 1.00 1.49 C ATOM 103 CD2 LEU A 8 -3.225 1.593 -0.149 1.00 1.80 C ATOM 0 H LEU A 8 -3.607 4.497 -1.164 1.00 0.52 H new ATOM 0 HA LEU A 8 -4.714 5.080 1.510 1.00 0.49 H new ATOM 0 HB2 LEU A 8 -2.813 3.766 2.441 1.00 0.65 H new ATOM 0 HB3 LEU A 8 -4.203 2.875 1.851 1.00 0.65 H new ATOM 0 HG LEU A 8 -1.963 3.328 -0.068 1.00 1.10 H new ATOM 0 HD11 LEU A 8 -0.731 1.349 0.850 1.00 1.49 H new ATOM 0 HD12 LEU A 8 -0.784 2.686 2.022 1.00 1.49 H new ATOM 0 HD13 LEU A 8 -1.871 1.290 2.215 1.00 1.49 H new ATOM 0 HD21 LEU A 8 -2.540 1.019 -0.773 1.00 1.80 H new ATOM 0 HD22 LEU A 8 -3.732 0.923 0.545 1.00 1.80 H new ATOM 0 HD23 LEU A 8 -3.963 2.086 -0.781 1.00 1.80 H new ATOM 115 N VAL A 9 -3.140 6.990 1.480 1.00 0.62 N ATOM 116 CA VAL A 9 -2.189 8.067 1.663 1.00 0.73 C ATOM 117 C VAL A 9 -1.253 7.545 2.743 1.00 0.68 C ATOM 118 O VAL A 9 -1.712 7.174 3.820 1.00 0.84 O ATOM 119 CB VAL A 9 -2.909 9.352 2.103 1.00 0.99 C ATOM 120 CG1 VAL A 9 -1.905 10.506 2.230 1.00 1.11 C ATOM 121 CG2 VAL A 9 -3.998 9.744 1.097 1.00 1.43 C ATOM 0 H VAL A 9 -4.040 7.156 1.929 1.00 0.62 H new ATOM 0 HA VAL A 9 -1.654 8.330 0.750 1.00 0.73 H new ATOM 0 HB VAL A 9 -3.373 9.159 3.070 1.00 0.99 H new ATOM 0 HG11 VAL A 9 -2.428 11.410 2.542 1.00 1.11 H new ATOM 0 HG12 VAL A 9 -1.148 10.250 2.971 1.00 1.11 H new ATOM 0 HG13 VAL A 9 -1.425 10.679 1.267 1.00 1.11 H new ATOM 0 HG21 VAL A 9 -4.492 10.656 1.432 1.00 1.43 H new ATOM 0 HG22 VAL A 9 -3.546 9.914 0.120 1.00 1.43 H new ATOM 0 HG23 VAL A 9 -4.731 8.941 1.023 1.00 1.43 H new ATOM 131 N VAL A 10 0.027 7.412 2.414 1.00 0.72 N ATOM 132 CA VAL A 10 1.010 6.700 3.202 1.00 0.64 C ATOM 133 C VAL A 10 2.175 7.644 3.493 1.00 0.44 C ATOM 134 O VAL A 10 3.155 7.718 2.751 1.00 0.57 O ATOM 135 CB VAL A 10 1.342 5.360 2.521 1.00 0.89 C ATOM 136 CG1 VAL A 10 1.649 5.483 1.025 1.00 1.99 C ATOM 137 CG2 VAL A 10 2.438 4.604 3.268 1.00 2.65 C ATOM 0 H VAL A 10 0.416 7.813 1.561 1.00 0.72 H new ATOM 0 HA VAL A 10 0.641 6.405 4.184 1.00 0.64 H new ATOM 0 HB VAL A 10 0.429 4.768 2.579 1.00 0.89 H new ATOM 0 HG11 VAL A 10 1.873 4.497 0.617 1.00 1.99 H new ATOM 0 HG12 VAL A 10 0.784 5.901 0.509 1.00 1.99 H new ATOM 0 HG13 VAL A 10 2.508 6.138 0.883 1.00 1.99 H new ATOM 0 HG21 VAL A 10 2.644 3.664 2.757 1.00 2.65 H new ATOM 0 HG22 VAL A 10 3.344 5.209 3.294 1.00 2.65 H new ATOM 0 HG23 VAL A 10 2.109 4.399 4.287 1.00 2.65 H new ATOM 147 N ARG A 11 2.039 8.405 4.582 1.00 0.42 N ATOM 148 CA ARG A 11 3.053 9.373 4.969 1.00 0.49 C ATOM 149 C ARG A 11 4.203 8.648 5.669 1.00 0.50 C ATOM 150 O ARG A 11 4.011 7.580 6.255 1.00 0.71 O ATOM 151 CB ARG A 11 2.446 10.514 5.803 1.00 0.78 C ATOM 152 CG ARG A 11 1.956 10.063 7.182 1.00 1.93 C ATOM 153 CD ARG A 11 1.348 11.222 7.980 1.00 2.42 C ATOM 154 NE ARG A 11 1.179 10.821 9.387 1.00 3.48 N ATOM 155 CZ ARG A 11 0.272 11.277 10.263 1.00 4.08 C ATOM 156 NH1 ARG A 11 -0.530 12.292 9.923 1.00 4.19 N ATOM 157 NH2 ARG A 11 0.168 10.723 11.473 1.00 5.37 N ATOM 0 H ARG A 11 1.234 8.365 5.208 1.00 0.42 H new ATOM 0 HA ARG A 11 3.464 9.854 4.081 1.00 0.49 H new ATOM 0 HB2 ARG A 11 3.192 11.299 5.929 1.00 0.78 H new ATOM 0 HB3 ARG A 11 1.612 10.952 5.254 1.00 0.78 H new ATOM 0 HG2 ARG A 11 1.213 9.275 7.063 1.00 1.93 H new ATOM 0 HG3 ARG A 11 2.788 9.635 7.741 1.00 1.93 H new ATOM 0 HD2 ARG A 11 1.993 12.098 7.916 1.00 2.42 H new ATOM 0 HD3 ARG A 11 0.385 11.504 7.554 1.00 2.42 H new ATOM 0 HE ARG A 11 1.827 10.115 9.735 1.00 3.48 H new ATOM 0 HH11 ARG A 11 -0.451 12.717 8.999 1.00 4.19 H new ATOM 0 HH12 ARG A 11 -1.221 12.641 10.587 1.00 4.19 H new ATOM 0 HH21 ARG A 11 0.780 9.950 11.734 1.00 5.37 H new ATOM 0 HH22 ARG A 11 -0.523 11.073 12.136 1.00 5.37 H new ATOM 171 N GLY A 12 5.400 9.232 5.572 1.00 0.54 N ATOM 172 CA GLY A 12 6.635 8.664 6.093 1.00 0.62 C ATOM 173 C GLY A 12 7.634 8.394 4.967 1.00 0.57 C ATOM 174 O GLY A 12 8.841 8.445 5.193 1.00 0.85 O ATOM 0 H GLY A 12 5.535 10.135 5.117 1.00 0.54 H new ATOM 0 HA2 GLY A 12 7.076 9.348 6.818 1.00 0.62 H new ATOM 0 HA3 GLY A 12 6.418 7.736 6.621 1.00 0.62 H new ATOM 178 N MET A 13 7.146 8.121 3.750 1.00 0.48 N ATOM 179 CA MET A 13 8.017 7.868 2.617 1.00 0.60 C ATOM 180 C MET A 13 8.799 9.136 2.260 1.00 0.82 C ATOM 181 O MET A 13 8.214 10.100 1.759 1.00 1.17 O ATOM 182 CB MET A 13 7.204 7.428 1.400 1.00 1.22 C ATOM 183 CG MET A 13 6.274 6.231 1.605 1.00 0.89 C ATOM 184 SD MET A 13 4.964 6.172 0.359 1.00 1.67 S ATOM 185 CE MET A 13 5.926 6.396 -1.147 1.00 0.95 C ATOM 0 H MET A 13 6.150 8.072 3.534 1.00 0.48 H new ATOM 0 HA MET A 13 8.709 7.073 2.894 1.00 0.60 H new ATOM 0 HB2 MET A 13 6.604 8.274 1.065 1.00 1.22 H new ATOM 0 HB3 MET A 13 7.897 7.189 0.593 1.00 1.22 H new ATOM 0 HG2 MET A 13 6.855 5.309 1.565 1.00 0.89 H new ATOM 0 HG3 MET A 13 5.828 6.284 2.598 1.00 0.89 H new ATOM 0 HE1 MET A 13 5.264 6.348 -2.012 1.00 0.95 H new ATOM 0 HE2 MET A 13 6.420 7.367 -1.122 1.00 0.95 H new ATOM 0 HE3 MET A 13 6.676 5.609 -1.220 1.00 0.95 H new ATOM 195 N THR A 14 10.108 9.124 2.512 1.00 1.10 N ATOM 196 CA THR A 14 11.012 10.221 2.201 1.00 1.56 C ATOM 197 C THR A 14 11.623 10.073 0.798 1.00 1.11 C ATOM 198 O THR A 14 11.708 11.061 0.070 1.00 1.10 O ATOM 199 CB THR A 14 12.050 10.380 3.329 1.00 2.20 C ATOM 200 OG1 THR A 14 12.846 11.524 3.104 1.00 2.85 O ATOM 201 CG2 THR A 14 12.971 9.171 3.528 1.00 2.64 C ATOM 0 H THR A 14 10.576 8.330 2.949 1.00 1.10 H new ATOM 0 HA THR A 14 10.450 11.154 2.160 1.00 1.56 H new ATOM 0 HB THR A 14 11.462 10.478 4.241 1.00 2.20 H new ATOM 0 HG1 THR A 14 13.500 11.615 3.828 1.00 2.85 H new ATOM 0 HG21 THR A 14 13.667 9.374 4.342 1.00 2.64 H new ATOM 0 HG22 THR A 14 12.372 8.294 3.773 1.00 2.64 H new ATOM 0 HG23 THR A 14 13.530 8.984 2.611 1.00 2.64 H new ATOM 209 N CYS A 15 12.054 8.865 0.403 1.00 0.97 N ATOM 210 CA CYS A 15 12.886 8.671 -0.782 1.00 0.79 C ATOM 211 C CYS A 15 12.504 7.403 -1.548 1.00 0.70 C ATOM 212 O CYS A 15 11.685 6.604 -1.095 1.00 0.66 O ATOM 213 CB CYS A 15 14.357 8.629 -0.350 1.00 0.77 C ATOM 214 SG CYS A 15 14.861 7.100 0.484 1.00 1.31 S ATOM 0 H CYS A 15 11.833 8.001 0.898 1.00 0.97 H new ATOM 0 HA CYS A 15 12.725 9.505 -1.465 1.00 0.79 H new ATOM 0 HB2 CYS A 15 14.984 8.770 -1.231 1.00 0.77 H new ATOM 0 HB3 CYS A 15 14.550 9.470 0.316 1.00 0.77 H new ATOM 0 HG CYS A 15 16.120 7.173 0.801 1.00 1.31 H new ATOM 219 N ALA A 16 13.141 7.208 -2.708 1.00 0.77 N ATOM 220 CA ALA A 16 12.951 6.056 -3.584 1.00 0.88 C ATOM 221 C ALA A 16 13.012 4.733 -2.816 1.00 0.81 C ATOM 222 O ALA A 16 12.292 3.785 -3.133 1.00 0.92 O ATOM 223 CB ALA A 16 14.010 6.081 -4.688 1.00 0.98 C ATOM 0 H ALA A 16 13.825 7.872 -3.071 1.00 0.77 H new ATOM 0 HA ALA A 16 11.956 6.124 -4.023 1.00 0.88 H new ATOM 0 HB1 ALA A 16 13.872 5.222 -5.345 1.00 0.98 H new ATOM 0 HB2 ALA A 16 13.911 7.000 -5.266 1.00 0.98 H new ATOM 0 HB3 ALA A 16 15.003 6.039 -4.241 1.00 0.98 H new ATOM 229 N SER A 17 13.869 4.650 -1.797 1.00 0.72 N ATOM 230 CA SER A 17 13.967 3.436 -1.012 1.00 0.86 C ATOM 231 C SER A 17 12.635 3.099 -0.339 1.00 0.80 C ATOM 232 O SER A 17 12.249 1.934 -0.274 1.00 1.02 O ATOM 233 CB SER A 17 15.133 3.496 -0.019 1.00 1.02 C ATOM 234 OG SER A 17 15.395 2.205 0.501 1.00 2.51 O ATOM 0 H SER A 17 14.494 5.402 -1.505 1.00 0.72 H new ATOM 0 HA SER A 17 14.189 2.615 -1.694 1.00 0.86 H new ATOM 0 HB2 SER A 17 16.023 3.885 -0.514 1.00 1.02 H new ATOM 0 HB3 SER A 17 14.894 4.182 0.793 1.00 1.02 H new ATOM 0 HG SER A 17 15.453 1.561 -0.236 1.00 2.51 H new ATOM 240 N CYS A 18 11.897 4.107 0.126 1.00 0.62 N ATOM 241 CA CYS A 18 10.615 3.890 0.773 1.00 0.60 C ATOM 242 C CYS A 18 9.614 3.278 -0.209 1.00 0.66 C ATOM 243 O CYS A 18 8.829 2.396 0.148 1.00 0.83 O ATOM 244 CB CYS A 18 10.133 5.217 1.350 1.00 0.61 C ATOM 245 SG CYS A 18 11.285 5.934 2.556 1.00 0.69 S ATOM 0 H CYS A 18 12.173 5.087 0.063 1.00 0.62 H new ATOM 0 HA CYS A 18 10.716 3.176 1.590 1.00 0.60 H new ATOM 0 HB2 CYS A 18 9.982 5.926 0.536 1.00 0.61 H new ATOM 0 HB3 CYS A 18 9.164 5.068 1.827 1.00 0.61 H new ATOM 0 HG CYS A 18 10.966 5.535 3.751 1.00 0.69 H new ATOM 250 N VAL A 19 9.680 3.732 -1.461 1.00 0.56 N ATOM 251 CA VAL A 19 8.885 3.204 -2.556 1.00 0.51 C ATOM 252 C VAL A 19 9.189 1.715 -2.698 1.00 0.44 C ATOM 253 O VAL A 19 8.297 0.881 -2.519 1.00 0.41 O ATOM 254 CB VAL A 19 9.191 3.974 -3.856 1.00 0.59 C ATOM 255 CG1 VAL A 19 8.196 3.629 -4.965 1.00 0.80 C ATOM 256 CG2 VAL A 19 9.153 5.482 -3.616 1.00 0.52 C ATOM 0 H VAL A 19 10.301 4.491 -1.741 1.00 0.56 H new ATOM 0 HA VAL A 19 7.822 3.331 -2.351 1.00 0.51 H new ATOM 0 HB VAL A 19 10.191 3.674 -4.171 1.00 0.59 H new ATOM 0 HG11 VAL A 19 8.445 4.191 -5.865 1.00 0.80 H new ATOM 0 HG12 VAL A 19 8.246 2.561 -5.179 1.00 0.80 H new ATOM 0 HG13 VAL A 19 7.188 3.888 -4.642 1.00 0.80 H new ATOM 0 HG21 VAL A 19 9.372 6.004 -4.547 1.00 0.52 H new ATOM 0 HG22 VAL A 19 8.163 5.769 -3.263 1.00 0.52 H new ATOM 0 HG23 VAL A 19 9.897 5.750 -2.866 1.00 0.52 H new ATOM 266 N HIS A 20 10.458 1.384 -2.979 1.00 0.49 N ATOM 267 CA HIS A 20 10.825 0.009 -3.228 1.00 0.51 C ATOM 268 C HIS A 20 10.518 -0.884 -2.021 1.00 0.51 C ATOM 269 O HIS A 20 10.068 -2.016 -2.187 1.00 0.58 O ATOM 270 CB HIS A 20 12.212 -0.117 -3.877 1.00 0.59 C ATOM 271 CG HIS A 20 13.471 0.277 -3.139 1.00 0.63 C ATOM 272 ND1 HIS A 20 14.633 0.679 -3.762 1.00 0.77 N ATOM 273 CD2 HIS A 20 13.790 0.030 -1.831 1.00 0.62 C ATOM 274 CE1 HIS A 20 15.614 0.697 -2.843 1.00 0.83 C ATOM 275 NE2 HIS A 20 15.146 0.324 -1.641 1.00 0.74 N ATOM 0 H HIS A 20 11.228 2.050 -3.036 1.00 0.49 H new ATOM 0 HA HIS A 20 10.179 -0.405 -4.002 1.00 0.51 H new ATOM 0 HB2 HIS A 20 12.330 -1.160 -4.170 1.00 0.59 H new ATOM 0 HB3 HIS A 20 12.186 0.471 -4.795 1.00 0.59 H new ATOM 0 HD1 HIS A 20 14.731 0.921 -4.748 1.00 0.77 H new ATOM 0 HD2 HIS A 20 13.110 -0.331 -1.073 1.00 0.62 H new ATOM 0 HE1 HIS A 20 16.638 0.974 -3.044 1.00 0.83 H new ATOM 283 N LYS A 21 10.690 -0.361 -0.804 1.00 0.50 N ATOM 284 CA LYS A 21 10.408 -1.020 0.447 1.00 0.54 C ATOM 285 C LYS A 21 8.919 -1.373 0.525 1.00 0.47 C ATOM 286 O LYS A 21 8.587 -2.511 0.866 1.00 0.57 O ATOM 287 CB LYS A 21 10.906 -0.048 1.525 1.00 0.76 C ATOM 288 CG LYS A 21 10.475 -0.320 2.955 1.00 1.60 C ATOM 289 CD LYS A 21 11.215 0.684 3.861 1.00 1.98 C ATOM 290 CE LYS A 21 10.599 0.880 5.252 1.00 3.21 C ATOM 291 NZ LYS A 21 10.856 -0.246 6.169 1.00 3.78 N ATOM 0 H LYS A 21 11.049 0.584 -0.672 1.00 0.50 H new ATOM 0 HA LYS A 21 10.911 -1.978 0.574 1.00 0.54 H new ATOM 0 HB2 LYS A 21 11.996 -0.040 1.496 1.00 0.76 H new ATOM 0 HB3 LYS A 21 10.573 0.954 1.256 1.00 0.76 H new ATOM 0 HG2 LYS A 21 9.396 -0.206 3.058 1.00 1.60 H new ATOM 0 HG3 LYS A 21 10.717 -1.344 3.240 1.00 1.60 H new ATOM 0 HD2 LYS A 21 12.246 0.351 3.981 1.00 1.98 H new ATOM 0 HD3 LYS A 21 11.249 1.649 3.356 1.00 1.98 H new ATOM 0 HE2 LYS A 21 10.996 1.795 5.692 1.00 3.21 H new ATOM 0 HE3 LYS A 21 9.523 1.017 5.149 1.00 3.21 H new ATOM 0 HZ1 LYS A 21 10.330 -0.100 7.054 1.00 3.78 H new ATOM 0 HZ2 LYS A 21 10.545 -1.133 5.725 1.00 3.78 H new ATOM 0 HZ3 LYS A 21 11.874 -0.300 6.376 1.00 3.78 H new ATOM 305 N ILE A 22 8.027 -0.432 0.195 1.00 0.39 N ATOM 306 CA ILE A 22 6.597 -0.715 0.147 1.00 0.35 C ATOM 307 C ILE A 22 6.329 -1.833 -0.854 1.00 0.36 C ATOM 308 O ILE A 22 5.882 -2.914 -0.467 1.00 0.45 O ATOM 309 CB ILE A 22 5.785 0.568 -0.141 1.00 0.40 C ATOM 310 CG1 ILE A 22 5.666 1.353 1.167 1.00 0.71 C ATOM 311 CG2 ILE A 22 4.362 0.258 -0.627 1.00 0.85 C ATOM 312 CD1 ILE A 22 5.341 2.837 0.999 1.00 0.58 C ATOM 0 H ILE A 22 8.274 0.529 -0.042 1.00 0.39 H new ATOM 0 HA ILE A 22 6.261 -1.065 1.123 1.00 0.35 H new ATOM 0 HB ILE A 22 6.301 1.127 -0.921 1.00 0.40 H new ATOM 0 HG12 ILE A 22 4.891 0.893 1.780 1.00 0.71 H new ATOM 0 HG13 ILE A 22 6.603 1.261 1.716 1.00 0.71 H new ATOM 0 HG21 ILE A 22 3.831 1.191 -0.816 1.00 0.85 H new ATOM 0 HG22 ILE A 22 4.411 -0.325 -1.547 1.00 0.85 H new ATOM 0 HG23 ILE A 22 3.833 -0.312 0.136 1.00 0.85 H new ATOM 0 HD11 ILE A 22 5.277 3.309 1.980 1.00 0.58 H new ATOM 0 HD12 ILE A 22 6.126 3.318 0.416 1.00 0.58 H new ATOM 0 HD13 ILE A 22 4.388 2.944 0.482 1.00 0.58 H new ATOM 324 N GLU A 23 6.575 -1.578 -2.139 1.00 0.41 N ATOM 325 CA GLU A 23 6.122 -2.492 -3.175 1.00 0.52 C ATOM 326 C GLU A 23 6.766 -3.868 -3.016 1.00 0.43 C ATOM 327 O GLU A 23 6.052 -4.869 -2.949 1.00 0.51 O ATOM 328 CB GLU A 23 6.297 -1.869 -4.560 1.00 0.78 C ATOM 329 CG GLU A 23 7.748 -1.564 -4.932 1.00 1.82 C ATOM 330 CD GLU A 23 7.845 -0.571 -6.084 1.00 1.70 C ATOM 331 OE1 GLU A 23 6.848 -0.468 -6.832 1.00 1.96 O ATOM 332 OE2 GLU A 23 8.910 0.073 -6.186 1.00 2.72 O ATOM 0 H GLU A 23 7.078 -0.758 -2.479 1.00 0.41 H new ATOM 0 HA GLU A 23 5.051 -2.663 -3.062 1.00 0.52 H new ATOM 0 HB2 GLU A 23 5.877 -2.544 -5.305 1.00 0.78 H new ATOM 0 HB3 GLU A 23 5.720 -0.945 -4.606 1.00 0.78 H new ATOM 0 HG2 GLU A 23 8.269 -1.163 -4.063 1.00 1.82 H new ATOM 0 HG3 GLU A 23 8.254 -2.489 -5.207 1.00 1.82 H new ATOM 339 N SER A 24 8.096 -3.912 -2.883 1.00 0.44 N ATOM 340 CA SER A 24 8.818 -5.166 -2.743 1.00 0.55 C ATOM 341 C SER A 24 8.285 -5.956 -1.550 1.00 0.60 C ATOM 342 O SER A 24 8.108 -7.172 -1.640 1.00 0.80 O ATOM 343 CB SER A 24 10.327 -4.941 -2.604 1.00 0.69 C ATOM 344 OG SER A 24 10.808 -4.139 -3.663 1.00 2.26 O ATOM 0 H SER A 24 8.691 -3.084 -2.870 1.00 0.44 H new ATOM 0 HA SER A 24 8.655 -5.743 -3.653 1.00 0.55 H new ATOM 0 HB2 SER A 24 10.542 -4.461 -1.650 1.00 0.69 H new ATOM 0 HB3 SER A 24 10.845 -5.900 -2.602 1.00 0.69 H new ATOM 0 HG SER A 24 10.696 -3.193 -3.434 1.00 2.26 H new ATOM 350 N SER A 25 8.043 -5.286 -0.413 1.00 0.52 N ATOM 351 CA SER A 25 7.549 -6.018 0.738 1.00 0.63 C ATOM 352 C SER A 25 6.107 -6.474 0.526 1.00 0.63 C ATOM 353 O SER A 25 5.774 -7.584 0.938 1.00 0.78 O ATOM 354 CB SER A 25 7.720 -5.261 2.051 1.00 0.75 C ATOM 355 OG SER A 25 7.606 -6.186 3.131 1.00 1.13 O ATOM 0 H SER A 25 8.177 -4.284 -0.277 1.00 0.52 H new ATOM 0 HA SER A 25 8.172 -6.908 0.828 1.00 0.63 H new ATOM 0 HB2 SER A 25 8.691 -4.766 2.078 1.00 0.75 H new ATOM 0 HB3 SER A 25 6.963 -4.482 2.139 1.00 0.75 H new ATOM 0 HG SER A 25 8.269 -5.969 3.819 1.00 1.13 H new ATOM 361 N LEU A 26 5.250 -5.657 -0.089 1.00 0.56 N ATOM 362 CA LEU A 26 3.893 -6.093 -0.387 1.00 0.69 C ATOM 363 C LEU A 26 3.925 -7.365 -1.239 1.00 0.82 C ATOM 364 O LEU A 26 3.248 -8.339 -0.901 1.00 0.98 O ATOM 365 CB LEU A 26 3.088 -4.983 -1.074 1.00 0.77 C ATOM 366 CG LEU A 26 2.711 -3.838 -0.120 1.00 0.82 C ATOM 367 CD1 LEU A 26 2.280 -2.634 -0.958 1.00 2.30 C ATOM 368 CD2 LEU A 26 1.564 -4.215 0.826 1.00 1.82 C ATOM 0 H LEU A 26 5.470 -4.706 -0.385 1.00 0.56 H new ATOM 0 HA LEU A 26 3.390 -6.319 0.553 1.00 0.69 H new ATOM 0 HB2 LEU A 26 3.669 -4.581 -1.904 1.00 0.77 H new ATOM 0 HB3 LEU A 26 2.179 -5.410 -1.498 1.00 0.77 H new ATOM 0 HG LEU A 26 3.583 -3.612 0.494 1.00 0.82 H new ATOM 0 HD11 LEU A 26 2.008 -1.810 -0.298 1.00 2.30 H new ATOM 0 HD12 LEU A 26 3.103 -2.326 -1.603 1.00 2.30 H new ATOM 0 HD13 LEU A 26 1.421 -2.906 -1.571 1.00 2.30 H new ATOM 0 HD21 LEU A 26 1.338 -3.371 1.478 1.00 1.82 H new ATOM 0 HD22 LEU A 26 0.680 -4.470 0.242 1.00 1.82 H new ATOM 0 HD23 LEU A 26 1.858 -5.072 1.431 1.00 1.82 H new ATOM 380 N THR A 27 4.723 -7.365 -2.316 1.00 0.83 N ATOM 381 CA THR A 27 4.841 -8.486 -3.241 1.00 1.02 C ATOM 382 C THR A 27 5.395 -9.737 -2.546 1.00 1.21 C ATOM 383 O THR A 27 6.577 -10.055 -2.657 1.00 2.05 O ATOM 384 CB THR A 27 5.691 -8.083 -4.454 1.00 1.18 C ATOM 385 OG1 THR A 27 6.878 -7.447 -4.040 1.00 1.99 O ATOM 386 CG2 THR A 27 4.925 -7.115 -5.361 1.00 1.10 C ATOM 0 H THR A 27 5.311 -6.571 -2.567 1.00 0.83 H new ATOM 0 HA THR A 27 3.844 -8.745 -3.596 1.00 1.02 H new ATOM 0 HB THR A 27 5.926 -8.996 -5.001 1.00 1.18 H new ATOM 0 HG1 THR A 27 7.042 -7.645 -3.094 1.00 1.99 H new ATOM 0 HG21 THR A 27 5.548 -6.844 -6.213 1.00 1.10 H new ATOM 0 HG22 THR A 27 4.013 -7.594 -5.716 1.00 1.10 H new ATOM 0 HG23 THR A 27 4.668 -6.217 -4.800 1.00 1.10 H new ATOM 394 N LYS A 28 4.505 -10.438 -1.847 1.00 1.13 N ATOM 395 CA LYS A 28 4.658 -11.732 -1.198 1.00 1.25 C ATOM 396 C LYS A 28 3.376 -12.093 -0.445 1.00 1.00 C ATOM 397 O LYS A 28 3.038 -13.274 -0.375 1.00 1.07 O ATOM 398 CB LYS A 28 5.886 -11.836 -0.274 1.00 1.67 C ATOM 399 CG LYS A 28 6.010 -10.705 0.754 1.00 1.77 C ATOM 400 CD LYS A 28 6.957 -11.122 1.894 1.00 2.43 C ATOM 401 CE LYS A 28 7.051 -10.068 3.010 1.00 3.06 C ATOM 402 NZ LYS A 28 7.559 -8.786 2.495 1.00 3.84 N ATOM 0 H LYS A 28 3.563 -10.073 -1.709 1.00 1.13 H new ATOM 0 HA LYS A 28 4.838 -12.454 -1.995 1.00 1.25 H new ATOM 0 HB2 LYS A 28 5.846 -12.788 0.256 1.00 1.67 H new ATOM 0 HB3 LYS A 28 6.786 -11.851 -0.888 1.00 1.67 H new ATOM 0 HG2 LYS A 28 6.387 -9.804 0.270 1.00 1.77 H new ATOM 0 HG3 LYS A 28 5.027 -10.462 1.158 1.00 1.77 H new ATOM 0 HD2 LYS A 28 6.612 -12.064 2.319 1.00 2.43 H new ATOM 0 HD3 LYS A 28 7.952 -11.301 1.486 1.00 2.43 H new ATOM 0 HE2 LYS A 28 6.068 -9.919 3.456 1.00 3.06 H new ATOM 0 HE3 LYS A 28 7.708 -10.430 3.801 1.00 3.06 H new ATOM 0 HZ1 LYS A 28 7.484 -8.060 3.236 1.00 3.84 H new ATOM 0 HZ2 LYS A 28 8.555 -8.894 2.216 1.00 3.84 H new ATOM 0 HZ3 LYS A 28 6.998 -8.497 1.669 1.00 3.84 H new ATOM 416 N HIS A 29 2.658 -11.119 0.138 1.00 0.89 N ATOM 417 CA HIS A 29 1.429 -11.464 0.836 1.00 0.97 C ATOM 418 C HIS A 29 0.384 -11.907 -0.185 1.00 0.92 C ATOM 419 O HIS A 29 0.305 -11.347 -1.277 1.00 1.25 O ATOM 420 CB HIS A 29 0.938 -10.330 1.744 1.00 1.25 C ATOM 421 CG HIS A 29 0.258 -9.161 1.079 1.00 0.72 C ATOM 422 ND1 HIS A 29 -1.071 -9.124 0.715 1.00 1.49 N ATOM 423 CD2 HIS A 29 0.702 -7.867 1.124 1.00 0.78 C ATOM 424 CE1 HIS A 29 -1.413 -7.835 0.552 1.00 2.18 C ATOM 425 NE2 HIS A 29 -0.362 -7.032 0.773 1.00 1.77 N ATOM 0 H HIS A 29 2.901 -10.128 0.137 1.00 0.89 H new ATOM 0 HA HIS A 29 1.623 -12.297 1.511 1.00 0.97 H new ATOM 0 HB2 HIS A 29 0.246 -10.755 2.471 1.00 1.25 H new ATOM 0 HB3 HIS A 29 1.793 -9.950 2.303 1.00 1.25 H new ATOM 0 HD1 HIS A 29 -1.684 -9.930 0.592 1.00 1.49 H new ATOM 0 HD2 HIS A 29 1.700 -7.547 1.385 1.00 0.78 H new ATOM 0 HE1 HIS A 29 -2.400 -7.492 0.280 1.00 2.18 H new ATOM 433 N ARG A 30 -0.422 -12.914 0.149 1.00 1.18 N ATOM 434 CA ARG A 30 -1.501 -13.315 -0.737 1.00 1.34 C ATOM 435 C ARG A 30 -2.470 -12.140 -0.887 1.00 1.44 C ATOM 436 O ARG A 30 -2.644 -11.361 0.050 1.00 2.76 O ATOM 437 CB ARG A 30 -2.191 -14.580 -0.214 1.00 1.72 C ATOM 438 CG ARG A 30 -1.184 -15.733 -0.103 1.00 2.37 C ATOM 439 CD ARG A 30 -1.894 -17.061 0.190 1.00 2.99 C ATOM 440 NE ARG A 30 -0.933 -18.158 0.396 1.00 4.14 N ATOM 441 CZ ARG A 30 -0.248 -18.793 -0.571 1.00 4.63 C ATOM 442 NH1 ARG A 30 -0.421 -18.447 -1.851 1.00 4.50 N ATOM 443 NH2 ARG A 30 0.609 -19.771 -0.252 1.00 6.14 N ATOM 0 H ARG A 30 -0.347 -13.455 1.011 1.00 1.18 H new ATOM 0 HA ARG A 30 -1.108 -13.567 -1.722 1.00 1.34 H new ATOM 0 HB2 ARG A 30 -2.636 -14.382 0.761 1.00 1.72 H new ATOM 0 HB3 ARG A 30 -3.004 -14.862 -0.884 1.00 1.72 H new ATOM 0 HG2 ARG A 30 -0.619 -15.817 -1.031 1.00 2.37 H new ATOM 0 HG3 ARG A 30 -0.467 -15.518 0.689 1.00 2.37 H new ATOM 0 HD2 ARG A 30 -2.518 -16.952 1.077 1.00 2.99 H new ATOM 0 HD3 ARG A 30 -2.558 -17.309 -0.638 1.00 2.99 H new ATOM 0 HE ARG A 30 -0.773 -18.463 1.356 1.00 4.14 H new ATOM 0 HH11 ARG A 30 -1.073 -17.701 -2.094 1.00 4.50 H new ATOM 0 HH12 ARG A 30 0.099 -18.929 -2.584 1.00 4.50 H new ATOM 0 HH21 ARG A 30 0.742 -20.034 0.724 1.00 6.14 H new ATOM 0 HH22 ARG A 30 1.129 -20.253 -0.985 1.00 6.14 H new ATOM 457 N GLY A 31 -3.055 -11.985 -2.073 1.00 0.68 N ATOM 458 CA GLY A 31 -3.974 -10.904 -2.376 1.00 0.82 C ATOM 459 C GLY A 31 -3.371 -9.920 -3.366 1.00 0.78 C ATOM 460 O GLY A 31 -4.004 -9.616 -4.372 1.00 1.26 O ATOM 0 H GLY A 31 -2.898 -12.618 -2.857 1.00 0.68 H new ATOM 0 HA2 GLY A 31 -4.897 -11.314 -2.786 1.00 0.82 H new ATOM 0 HA3 GLY A 31 -4.238 -10.381 -1.457 1.00 0.82 H new ATOM 464 N ILE A 32 -2.179 -9.379 -3.088 1.00 0.64 N ATOM 465 CA ILE A 32 -1.669 -8.238 -3.821 1.00 0.64 C ATOM 466 C ILE A 32 -1.115 -8.629 -5.192 1.00 0.91 C ATOM 467 O ILE A 32 -0.101 -9.317 -5.293 1.00 1.27 O ATOM 468 CB ILE A 32 -0.704 -7.488 -2.900 1.00 0.52 C ATOM 469 CG1 ILE A 32 -0.551 -6.021 -3.258 1.00 1.05 C ATOM 470 CG2 ILE A 32 0.643 -8.146 -2.665 1.00 1.51 C ATOM 471 CD1 ILE A 32 0.532 -5.703 -4.289 1.00 2.19 C ATOM 0 H ILE A 32 -1.556 -9.722 -2.357 1.00 0.64 H new ATOM 0 HA ILE A 32 -2.470 -7.547 -4.085 1.00 0.64 H new ATOM 0 HB ILE A 32 -1.209 -7.548 -1.936 1.00 0.52 H new ATOM 0 HG12 ILE A 32 -1.506 -5.656 -3.636 1.00 1.05 H new ATOM 0 HG13 ILE A 32 -0.335 -5.464 -2.347 1.00 1.05 H new ATOM 0 HG21 ILE A 32 1.240 -7.524 -1.998 1.00 1.51 H new ATOM 0 HG22 ILE A 32 0.495 -9.126 -2.212 1.00 1.51 H new ATOM 0 HG23 ILE A 32 1.163 -8.261 -3.616 1.00 1.51 H new ATOM 0 HD11 ILE A 32 0.556 -4.629 -4.472 1.00 2.19 H new ATOM 0 HD12 ILE A 32 1.501 -6.029 -3.911 1.00 2.19 H new ATOM 0 HD13 ILE A 32 0.312 -6.224 -5.221 1.00 2.19 H new ATOM 483 N LEU A 33 -1.798 -8.187 -6.254 1.00 0.86 N ATOM 484 CA LEU A 33 -1.408 -8.425 -7.634 1.00 1.03 C ATOM 485 C LEU A 33 -0.577 -7.262 -8.183 1.00 0.91 C ATOM 486 O LEU A 33 0.293 -7.496 -9.019 1.00 1.04 O ATOM 487 CB LEU A 33 -2.632 -8.785 -8.495 1.00 1.27 C ATOM 488 CG LEU A 33 -3.538 -7.603 -8.886 1.00 1.78 C ATOM 489 CD1 LEU A 33 -3.269 -7.155 -10.326 1.00 2.83 C ATOM 490 CD2 LEU A 33 -5.015 -7.982 -8.732 1.00 2.13 C ATOM 0 H LEU A 33 -2.656 -7.642 -6.168 1.00 0.86 H new ATOM 0 HA LEU A 33 -0.751 -9.294 -7.674 1.00 1.03 H new ATOM 0 HB2 LEU A 33 -2.283 -9.270 -9.407 1.00 1.27 H new ATOM 0 HB3 LEU A 33 -3.232 -9.517 -7.954 1.00 1.27 H new ATOM 0 HG LEU A 33 -3.309 -6.775 -8.215 1.00 1.78 H new ATOM 0 HD11 LEU A 33 -3.923 -6.319 -10.575 1.00 2.83 H new ATOM 0 HD12 LEU A 33 -2.229 -6.843 -10.422 1.00 2.83 H new ATOM 0 HD13 LEU A 33 -3.464 -7.983 -11.007 1.00 2.83 H new ATOM 0 HD21 LEU A 33 -5.639 -7.134 -9.013 1.00 2.13 H new ATOM 0 HD22 LEU A 33 -5.242 -8.830 -9.378 1.00 2.13 H new ATOM 0 HD23 LEU A 33 -5.215 -8.252 -7.695 1.00 2.13 H new ATOM 502 N TYR A 34 -0.796 -6.018 -7.725 1.00 0.75 N ATOM 503 CA TYR A 34 0.059 -4.904 -8.119 1.00 0.77 C ATOM 504 C TYR A 34 0.027 -3.832 -7.035 1.00 0.65 C ATOM 505 O TYR A 34 -0.994 -3.662 -6.371 1.00 0.71 O ATOM 506 CB TYR A 34 -0.388 -4.350 -9.481 1.00 0.85 C ATOM 507 CG TYR A 34 0.423 -3.169 -9.977 1.00 1.01 C ATOM 508 CD1 TYR A 34 1.785 -3.337 -10.292 1.00 1.89 C ATOM 509 CD2 TYR A 34 -0.183 -1.910 -10.149 1.00 2.56 C ATOM 510 CE1 TYR A 34 2.541 -2.246 -10.753 1.00 1.87 C ATOM 511 CE2 TYR A 34 0.568 -0.828 -10.641 1.00 2.85 C ATOM 512 CZ TYR A 34 1.938 -0.987 -10.907 1.00 1.60 C ATOM 513 OH TYR A 34 2.668 0.059 -11.385 1.00 1.94 O ATOM 0 H TYR A 34 -1.552 -5.768 -7.088 1.00 0.75 H new ATOM 0 HA TYR A 34 1.088 -5.247 -8.228 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.332 -5.149 -10.220 1.00 0.85 H new ATOM 0 HB3 TYR A 34 -1.434 -4.053 -9.412 1.00 0.85 H new ATOM 0 HD1 TYR A 34 2.249 -4.306 -10.179 1.00 1.89 H new ATOM 0 HD2 TYR A 34 -1.226 -1.775 -9.903 1.00 2.56 H new ATOM 0 HE1 TYR A 34 3.587 -2.376 -10.989 1.00 1.87 H new ATOM 0 HE2 TYR A 34 0.091 0.126 -10.814 1.00 2.85 H new ATOM 0 HH TYR A 34 2.103 0.858 -11.432 1.00 1.94 H new ATOM 523 N CYS A 35 1.141 -3.122 -6.846 1.00 0.66 N ATOM 524 CA CYS A 35 1.242 -1.961 -5.971 1.00 0.55 C ATOM 525 C CYS A 35 1.607 -0.770 -6.845 1.00 0.80 C ATOM 526 O CYS A 35 2.394 -0.920 -7.776 1.00 1.20 O ATOM 527 CB CYS A 35 2.330 -2.168 -4.913 1.00 0.73 C ATOM 528 SG CYS A 35 2.441 -0.654 -3.937 1.00 2.25 S ATOM 0 H CYS A 35 2.020 -3.348 -7.312 1.00 0.66 H new ATOM 0 HA CYS A 35 0.297 -1.801 -5.452 1.00 0.55 H new ATOM 0 HB2 CYS A 35 2.086 -3.017 -4.275 1.00 0.73 H new ATOM 0 HB3 CYS A 35 3.287 -2.389 -5.386 1.00 0.73 H new ATOM 0 HG CYS A 35 1.247 -0.187 -3.723 1.00 2.25 H new ATOM 534 N SER A 36 1.021 0.393 -6.570 1.00 0.86 N ATOM 535 CA SER A 36 1.297 1.632 -7.272 1.00 1.51 C ATOM 536 C SER A 36 1.614 2.716 -6.244 1.00 1.12 C ATOM 537 O SER A 36 0.923 3.734 -6.199 1.00 1.33 O ATOM 538 CB SER A 36 0.058 1.987 -8.096 1.00 2.47 C ATOM 539 OG SER A 36 0.213 3.209 -8.789 1.00 3.53 O ATOM 0 H SER A 36 0.324 0.496 -5.833 1.00 0.86 H new ATOM 0 HA SER A 36 2.153 1.537 -7.940 1.00 1.51 H new ATOM 0 HB2 SER A 36 -0.143 1.189 -8.810 1.00 2.47 H new ATOM 0 HB3 SER A 36 -0.808 2.051 -7.438 1.00 2.47 H new ATOM 0 HG SER A 36 0.448 3.918 -8.154 1.00 3.53 H new ATOM 545 N VAL A 37 2.653 2.508 -5.434 1.00 1.01 N ATOM 546 CA VAL A 37 3.111 3.473 -4.455 1.00 0.72 C ATOM 547 C VAL A 37 3.901 4.601 -5.129 1.00 0.74 C ATOM 548 O VAL A 37 4.755 4.349 -5.976 1.00 0.95 O ATOM 549 CB VAL A 37 3.918 2.718 -3.385 1.00 0.71 C ATOM 550 CG1 VAL A 37 5.042 1.847 -3.954 1.00 1.58 C ATOM 551 CG2 VAL A 37 4.533 3.682 -2.380 1.00 1.21 C ATOM 0 H VAL A 37 3.203 1.649 -5.446 1.00 1.01 H new ATOM 0 HA VAL A 37 2.269 3.963 -3.967 1.00 0.72 H new ATOM 0 HB VAL A 37 3.193 2.061 -2.904 1.00 0.71 H new ATOM 0 HG11 VAL A 37 5.564 1.348 -3.138 1.00 1.58 H new ATOM 0 HG12 VAL A 37 4.619 1.100 -4.625 1.00 1.58 H new ATOM 0 HG13 VAL A 37 5.744 2.473 -4.505 1.00 1.58 H new ATOM 0 HG21 VAL A 37 5.097 3.120 -1.636 1.00 1.21 H new ATOM 0 HG22 VAL A 37 5.200 4.371 -2.898 1.00 1.21 H new ATOM 0 HG23 VAL A 37 3.742 4.246 -1.886 1.00 1.21 H new ATOM 561 N ALA A 38 3.601 5.853 -4.759 1.00 0.71 N ATOM 562 CA ALA A 38 4.284 7.037 -5.265 1.00 0.75 C ATOM 563 C ALA A 38 4.561 8.066 -4.165 1.00 0.70 C ATOM 564 O ALA A 38 3.699 8.383 -3.343 1.00 0.73 O ATOM 565 CB ALA A 38 3.463 7.681 -6.380 1.00 0.85 C ATOM 0 H ALA A 38 2.864 6.068 -4.088 1.00 0.71 H new ATOM 0 HA ALA A 38 5.247 6.709 -5.656 1.00 0.75 H new ATOM 0 HB1 ALA A 38 3.983 8.565 -6.751 1.00 0.85 H new ATOM 0 HB2 ALA A 38 3.333 6.968 -7.194 1.00 0.85 H new ATOM 0 HB3 ALA A 38 2.486 7.971 -5.992 1.00 0.85 H new ATOM 571 N LEU A 39 5.769 8.636 -4.214 1.00 0.68 N ATOM 572 CA LEU A 39 6.193 9.773 -3.400 1.00 0.64 C ATOM 573 C LEU A 39 5.395 11.015 -3.780 1.00 0.74 C ATOM 574 O LEU A 39 5.091 11.830 -2.916 1.00 0.73 O ATOM 575 CB LEU A 39 7.684 10.061 -3.628 1.00 0.92 C ATOM 576 CG LEU A 39 8.604 8.998 -3.015 1.00 1.53 C ATOM 577 CD1 LEU A 39 9.960 9.027 -3.726 1.00 2.41 C ATOM 578 CD2 LEU A 39 8.815 9.240 -1.515 1.00 2.71 C ATOM 0 H LEU A 39 6.501 8.306 -4.843 1.00 0.68 H new ATOM 0 HA LEU A 39 6.020 9.527 -2.352 1.00 0.64 H new ATOM 0 HB2 LEU A 39 7.876 10.125 -4.699 1.00 0.92 H new ATOM 0 HB3 LEU A 39 7.929 11.034 -3.202 1.00 0.92 H new ATOM 0 HG LEU A 39 8.130 8.025 -3.142 1.00 1.53 H new ATOM 0 HD11 LEU A 39 10.615 8.272 -3.291 1.00 2.41 H new ATOM 0 HD12 LEU A 39 9.819 8.818 -4.787 1.00 2.41 H new ATOM 0 HD13 LEU A 39 10.412 10.012 -3.607 1.00 2.41 H new ATOM 0 HD21 LEU A 39 9.472 8.469 -1.111 1.00 2.71 H new ATOM 0 HD22 LEU A 39 9.269 10.219 -1.365 1.00 2.71 H new ATOM 0 HD23 LEU A 39 7.854 9.203 -1.002 1.00 2.71 H new ATOM 590 N ALA A 40 5.065 11.142 -5.074 1.00 0.93 N ATOM 591 CA ALA A 40 4.416 12.293 -5.697 1.00 1.17 C ATOM 592 C ALA A 40 3.357 12.958 -4.815 1.00 0.88 C ATOM 593 O ALA A 40 3.250 14.181 -4.800 1.00 1.05 O ATOM 594 CB ALA A 40 3.802 11.860 -7.032 1.00 1.63 C ATOM 0 H ALA A 40 5.257 10.400 -5.747 1.00 0.93 H new ATOM 0 HA ALA A 40 5.186 13.048 -5.853 1.00 1.17 H new ATOM 0 HB1 ALA A 40 3.316 12.714 -7.503 1.00 1.63 H new ATOM 0 HB2 ALA A 40 4.586 11.482 -7.688 1.00 1.63 H new ATOM 0 HB3 ALA A 40 3.066 11.075 -6.857 1.00 1.63 H new ATOM 600 N THR A 41 2.567 12.158 -4.095 1.00 0.75 N ATOM 601 CA THR A 41 1.639 12.671 -3.096 1.00 0.85 C ATOM 602 C THR A 41 1.557 11.738 -1.895 1.00 0.76 C ATOM 603 O THR A 41 0.496 11.601 -1.290 1.00 0.90 O ATOM 604 CB THR A 41 0.297 12.961 -3.766 1.00 1.43 C ATOM 605 OG1 THR A 41 -0.613 13.541 -2.855 1.00 2.91 O ATOM 606 CG2 THR A 41 -0.361 11.749 -4.427 1.00 1.77 C ATOM 0 H THR A 41 2.556 11.143 -4.190 1.00 0.75 H new ATOM 0 HA THR A 41 1.999 13.615 -2.687 1.00 0.85 H new ATOM 0 HB THR A 41 0.538 13.662 -4.565 1.00 1.43 H new ATOM 0 HG1 THR A 41 -0.624 13.018 -2.026 1.00 2.91 H new ATOM 0 HG21 THR A 41 -1.308 12.049 -4.876 1.00 1.77 H new ATOM 0 HG22 THR A 41 0.298 11.353 -5.200 1.00 1.77 H new ATOM 0 HG23 THR A 41 -0.543 10.980 -3.677 1.00 1.77 H new ATOM 614 N ASN A 42 2.699 11.127 -1.569 1.00 0.70 N ATOM 615 CA ASN A 42 2.885 10.179 -0.475 1.00 0.70 C ATOM 616 C ASN A 42 1.703 9.221 -0.407 1.00 0.73 C ATOM 617 O ASN A 42 0.954 9.214 0.568 1.00 0.89 O ATOM 618 CB ASN A 42 3.097 10.929 0.851 1.00 0.76 C ATOM 619 CG ASN A 42 4.532 11.417 0.982 1.00 0.95 C ATOM 620 OD1 ASN A 42 4.820 12.599 0.831 1.00 1.65 O ATOM 621 ND2 ASN A 42 5.437 10.488 1.270 1.00 1.82 N ATOM 0 H ASN A 42 3.561 11.291 -2.089 1.00 0.70 H new ATOM 0 HA ASN A 42 3.780 9.585 -0.659 1.00 0.70 H new ATOM 0 HB2 ASN A 42 2.415 11.777 0.905 1.00 0.76 H new ATOM 0 HB3 ASN A 42 2.856 10.272 1.686 1.00 0.76 H new ATOM 0 HD21 ASN A 42 6.418 10.747 1.374 1.00 1.82 H new ATOM 0 HD22 ASN A 42 5.151 9.516 1.387 1.00 1.82 H new ATOM 628 N LYS A 43 1.493 8.445 -1.471 1.00 0.71 N ATOM 629 CA LYS A 43 0.256 7.707 -1.640 1.00 0.74 C ATOM 630 C LYS A 43 0.512 6.491 -2.506 1.00 0.72 C ATOM 631 O LYS A 43 1.226 6.584 -3.500 1.00 1.02 O ATOM 632 CB LYS A 43 -0.778 8.640 -2.279 1.00 1.16 C ATOM 633 CG LYS A 43 -2.154 8.015 -2.541 1.00 2.29 C ATOM 634 CD LYS A 43 -2.323 7.451 -3.960 1.00 1.79 C ATOM 635 CE LYS A 43 -2.298 8.542 -5.041 1.00 1.23 C ATOM 636 NZ LYS A 43 -3.008 8.104 -6.262 1.00 1.47 N ATOM 0 H LYS A 43 2.168 8.316 -2.225 1.00 0.71 H new ATOM 0 HA LYS A 43 -0.126 7.360 -0.680 1.00 0.74 H new ATOM 0 HB2 LYS A 43 -0.909 9.507 -1.632 1.00 1.16 H new ATOM 0 HB3 LYS A 43 -0.378 9.005 -3.225 1.00 1.16 H new ATOM 0 HG2 LYS A 43 -2.321 7.215 -1.820 1.00 2.29 H new ATOM 0 HG3 LYS A 43 -2.923 8.767 -2.366 1.00 2.29 H new ATOM 0 HD2 LYS A 43 -1.528 6.732 -4.157 1.00 1.79 H new ATOM 0 HD3 LYS A 43 -3.266 6.908 -4.020 1.00 1.79 H new ATOM 0 HE2 LYS A 43 -2.760 9.450 -4.655 1.00 1.23 H new ATOM 0 HE3 LYS A 43 -1.265 8.790 -5.287 1.00 1.23 H new ATOM 0 HZ1 LYS A 43 -2.888 8.818 -7.008 1.00 1.47 H new ATOM 0 HZ2 LYS A 43 -2.616 7.196 -6.585 1.00 1.47 H new ATOM 0 HZ3 LYS A 43 -4.020 7.989 -6.053 1.00 1.47 H new ATOM 650 N ALA A 44 -0.115 5.368 -2.157 1.00 0.63 N ATOM 651 CA ALA A 44 -0.201 4.208 -3.018 1.00 0.98 C ATOM 652 C ALA A 44 -1.643 3.951 -3.399 1.00 1.02 C ATOM 653 O ALA A 44 -2.552 4.319 -2.656 1.00 1.18 O ATOM 654 CB ALA A 44 0.405 2.987 -2.318 1.00 1.12 C ATOM 0 H ALA A 44 -0.580 5.245 -1.257 1.00 0.63 H new ATOM 0 HA ALA A 44 0.366 4.396 -3.930 1.00 0.98 H new ATOM 0 HB1 ALA A 44 0.335 2.120 -2.974 1.00 1.12 H new ATOM 0 HB2 ALA A 44 1.452 3.183 -2.086 1.00 1.12 H new ATOM 0 HB3 ALA A 44 -0.140 2.789 -1.395 1.00 1.12 H new ATOM 660 N HIS A 45 -1.832 3.290 -4.544 1.00 0.98 N ATOM 661 CA HIS A 45 -2.990 2.452 -4.731 1.00 0.96 C ATOM 662 C HIS A 45 -2.455 1.033 -4.694 1.00 0.72 C ATOM 663 O HIS A 45 -1.350 0.797 -5.187 1.00 0.85 O ATOM 664 CB HIS A 45 -3.772 2.840 -5.996 1.00 1.69 C ATOM 665 CG HIS A 45 -3.379 2.195 -7.302 1.00 1.06 C ATOM 666 ND1 HIS A 45 -3.073 2.851 -8.474 1.00 1.46 N ATOM 667 CD2 HIS A 45 -3.453 0.860 -7.595 1.00 1.07 C ATOM 668 CE1 HIS A 45 -2.931 1.923 -9.436 1.00 2.03 C ATOM 669 NE2 HIS A 45 -3.148 0.690 -8.947 1.00 1.80 N ATOM 0 H HIS A 45 -1.197 3.326 -5.341 1.00 0.98 H new ATOM 0 HA HIS A 45 -3.743 2.570 -3.952 1.00 0.96 H new ATOM 0 HB2 HIS A 45 -4.824 2.618 -5.818 1.00 1.69 H new ATOM 0 HB3 HIS A 45 -3.690 3.920 -6.120 1.00 1.69 H new ATOM 0 HD1 HIS A 45 -2.972 3.859 -8.591 1.00 1.46 H new ATOM 0 HD2 HIS A 45 -3.704 0.073 -6.900 1.00 1.07 H new ATOM 0 HE1 HIS A 45 -2.677 2.139 -10.463 1.00 2.03 H new ATOM 677 N ILE A 46 -3.193 0.111 -4.079 1.00 0.57 N ATOM 678 CA ILE A 46 -2.815 -1.293 -4.062 1.00 0.45 C ATOM 679 C ILE A 46 -3.950 -2.066 -4.715 1.00 0.44 C ATOM 680 O ILE A 46 -5.125 -1.813 -4.439 1.00 0.65 O ATOM 681 CB ILE A 46 -2.479 -1.770 -2.638 1.00 0.57 C ATOM 682 CG1 ILE A 46 -1.201 -1.066 -2.152 1.00 0.76 C ATOM 683 CG2 ILE A 46 -2.190 -3.275 -2.647 1.00 1.14 C ATOM 684 CD1 ILE A 46 -0.937 -1.263 -0.659 1.00 1.37 C ATOM 0 H ILE A 46 -4.061 0.317 -3.584 1.00 0.57 H new ATOM 0 HA ILE A 46 -1.898 -1.464 -4.626 1.00 0.45 H new ATOM 0 HB ILE A 46 -3.325 -1.544 -1.989 1.00 0.57 H new ATOM 0 HG12 ILE A 46 -0.349 -1.442 -2.718 1.00 0.76 H new ATOM 0 HG13 ILE A 46 -1.278 0.001 -2.363 1.00 0.76 H new ATOM 0 HG21 ILE A 46 -1.953 -3.606 -1.636 1.00 1.14 H new ATOM 0 HG22 ILE A 46 -3.067 -3.812 -3.008 1.00 1.14 H new ATOM 0 HG23 ILE A 46 -1.344 -3.479 -3.303 1.00 1.14 H new ATOM 0 HD11 ILE A 46 -0.021 -0.742 -0.380 1.00 1.37 H new ATOM 0 HD12 ILE A 46 -1.773 -0.861 -0.086 1.00 1.37 H new ATOM 0 HD13 ILE A 46 -0.829 -2.326 -0.446 1.00 1.37 H new ATOM 696 N LYS A 47 -3.584 -2.985 -5.605 1.00 0.43 N ATOM 697 CA LYS A 47 -4.489 -3.882 -6.268 1.00 0.52 C ATOM 698 C LYS A 47 -4.324 -5.220 -5.564 1.00 0.56 C ATOM 699 O LYS A 47 -3.502 -6.040 -5.969 1.00 0.72 O ATOM 700 CB LYS A 47 -4.105 -3.939 -7.745 1.00 0.60 C ATOM 701 CG LYS A 47 -4.249 -2.554 -8.407 1.00 0.66 C ATOM 702 CD LYS A 47 -4.871 -2.739 -9.800 1.00 0.99 C ATOM 703 CE LYS A 47 -6.372 -3.056 -9.643 1.00 2.48 C ATOM 704 NZ LYS A 47 -6.939 -3.896 -10.717 1.00 3.16 N ATOM 0 H LYS A 47 -2.612 -3.119 -5.885 1.00 0.43 H new ATOM 0 HA LYS A 47 -5.533 -3.573 -6.223 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.077 -4.288 -7.844 1.00 0.60 H new ATOM 0 HB3 LYS A 47 -4.738 -4.661 -8.261 1.00 0.60 H new ATOM 0 HG2 LYS A 47 -4.877 -1.906 -7.795 1.00 0.66 H new ATOM 0 HG3 LYS A 47 -3.275 -2.071 -8.488 1.00 0.66 H new ATOM 0 HD2 LYS A 47 -4.738 -1.835 -10.395 1.00 0.99 H new ATOM 0 HD3 LYS A 47 -4.369 -3.547 -10.332 1.00 0.99 H new ATOM 0 HE2 LYS A 47 -6.526 -3.558 -8.688 1.00 2.48 H new ATOM 0 HE3 LYS A 47 -6.926 -2.118 -9.603 1.00 2.48 H new ATOM 0 HZ1 LYS A 47 -7.949 -4.060 -10.533 1.00 3.16 H new ATOM 0 HZ2 LYS A 47 -6.827 -3.413 -11.631 1.00 3.16 H new ATOM 0 HZ3 LYS A 47 -6.440 -4.808 -10.744 1.00 3.16 H new ATOM 718 N TYR A 48 -5.056 -5.397 -4.467 1.00 0.85 N ATOM 719 CA TYR A 48 -5.160 -6.637 -3.733 1.00 0.84 C ATOM 720 C TYR A 48 -6.571 -7.196 -3.815 1.00 0.84 C ATOM 721 O TYR A 48 -7.528 -6.427 -3.841 1.00 1.17 O ATOM 722 CB TYR A 48 -4.733 -6.415 -2.281 1.00 1.08 C ATOM 723 CG TYR A 48 -5.714 -5.596 -1.457 1.00 1.25 C ATOM 724 CD1 TYR A 48 -5.718 -4.191 -1.536 1.00 2.27 C ATOM 725 CD2 TYR A 48 -6.652 -6.245 -0.634 1.00 2.07 C ATOM 726 CE1 TYR A 48 -6.566 -3.440 -0.707 1.00 2.41 C ATOM 727 CE2 TYR A 48 -7.511 -5.494 0.185 1.00 2.17 C ATOM 728 CZ TYR A 48 -7.451 -4.094 0.166 1.00 1.62 C ATOM 729 OH TYR A 48 -8.263 -3.369 0.985 1.00 1.86 O ATOM 0 H TYR A 48 -5.611 -4.646 -4.056 1.00 0.85 H new ATOM 0 HA TYR A 48 -4.492 -7.373 -4.181 1.00 0.84 H new ATOM 0 HB2 TYR A 48 -4.596 -7.385 -1.803 1.00 1.08 H new ATOM 0 HB3 TYR A 48 -3.764 -5.916 -2.272 1.00 1.08 H new ATOM 0 HD1 TYR A 48 -5.067 -3.689 -2.236 1.00 2.27 H new ATOM 0 HD2 TYR A 48 -6.712 -7.323 -0.632 1.00 2.07 H new ATOM 0 HE1 TYR A 48 -6.538 -2.361 -0.740 1.00 2.41 H new ATOM 0 HE2 TYR A 48 -8.218 -5.995 0.829 1.00 2.17 H new ATOM 0 HH TYR A 48 -9.185 -3.690 0.899 1.00 1.86 H new ATOM 739 N ASP A 49 -6.675 -8.526 -3.831 1.00 0.65 N ATOM 740 CA ASP A 49 -7.945 -9.246 -3.822 1.00 0.70 C ATOM 741 C ASP A 49 -8.720 -8.867 -2.550 1.00 0.79 C ATOM 742 O ASP A 49 -8.337 -9.315 -1.466 1.00 0.78 O ATOM 743 CB ASP A 49 -7.699 -10.765 -3.836 1.00 0.81 C ATOM 744 CG ASP A 49 -6.954 -11.275 -5.063 1.00 1.55 C ATOM 745 OD1 ASP A 49 -7.226 -10.750 -6.163 1.00 2.34 O ATOM 746 OD2 ASP A 49 -6.130 -12.195 -4.870 1.00 2.51 O ATOM 0 H ASP A 49 -5.862 -9.142 -3.851 1.00 0.65 H new ATOM 0 HA ASP A 49 -8.519 -8.976 -4.709 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -7.133 -11.037 -2.945 1.00 0.81 H new ATOM 0 HB3 ASP A 49 -8.660 -11.276 -3.772 1.00 0.81 H new ATOM 751 N PRO A 50 -9.799 -8.070 -2.627 1.00 1.02 N ATOM 752 CA PRO A 50 -10.452 -7.491 -1.459 1.00 1.28 C ATOM 753 C PRO A 50 -11.419 -8.495 -0.816 1.00 1.34 C ATOM 754 O PRO A 50 -12.556 -8.150 -0.498 1.00 1.73 O ATOM 755 CB PRO A 50 -11.176 -6.262 -2.020 1.00 1.63 C ATOM 756 CG PRO A 50 -11.634 -6.758 -3.392 1.00 1.51 C ATOM 757 CD PRO A 50 -10.451 -7.615 -3.844 1.00 1.13 C ATOM 0 HA PRO A 50 -9.756 -7.226 -0.663 1.00 1.28 H new ATOM 0 HB2 PRO A 50 -12.016 -5.963 -1.393 1.00 1.63 H new ATOM 0 HB3 PRO A 50 -10.514 -5.400 -2.099 1.00 1.63 H new ATOM 0 HG2 PRO A 50 -12.555 -7.338 -3.328 1.00 1.51 H new ATOM 0 HG3 PRO A 50 -11.824 -5.934 -4.079 1.00 1.51 H new ATOM 0 HD2 PRO A 50 -10.788 -8.459 -4.445 1.00 1.13 H new ATOM 0 HD3 PRO A 50 -9.764 -7.037 -4.462 1.00 1.13 H new ATOM 765 N GLU A 51 -10.971 -9.743 -0.650 1.00 1.22 N ATOM 766 CA GLU A 51 -11.798 -10.869 -0.243 1.00 1.25 C ATOM 767 C GLU A 51 -11.017 -11.724 0.754 1.00 0.97 C ATOM 768 O GLU A 51 -11.431 -11.895 1.897 1.00 1.49 O ATOM 769 CB GLU A 51 -12.236 -11.676 -1.481 1.00 1.58 C ATOM 770 CG GLU A 51 -12.862 -10.774 -2.556 1.00 2.77 C ATOM 771 CD GLU A 51 -13.610 -11.557 -3.619 1.00 3.37 C ATOM 772 OE1 GLU A 51 -14.596 -12.247 -3.271 1.00 4.23 O ATOM 773 OE2 GLU A 51 -13.299 -11.407 -4.825 1.00 3.87 O ATOM 0 H GLU A 51 -9.995 -9.999 -0.801 1.00 1.22 H new ATOM 0 HA GLU A 51 -12.705 -10.516 0.248 1.00 1.25 H new ATOM 0 HB2 GLU A 51 -11.375 -12.196 -1.899 1.00 1.58 H new ATOM 0 HB3 GLU A 51 -12.955 -12.439 -1.182 1.00 1.58 H new ATOM 0 HG2 GLU A 51 -13.546 -10.071 -2.080 1.00 2.77 H new ATOM 0 HG3 GLU A 51 -12.078 -10.184 -3.030 1.00 2.77 H new ATOM 780 N ILE A 52 -9.870 -12.251 0.318 1.00 0.65 N ATOM 781 CA ILE A 52 -9.007 -13.074 1.158 1.00 0.80 C ATOM 782 C ILE A 52 -8.231 -12.246 2.180 1.00 0.81 C ATOM 783 O ILE A 52 -7.833 -12.770 3.218 1.00 1.26 O ATOM 784 CB ILE A 52 -8.078 -13.948 0.300 1.00 1.08 C ATOM 785 CG1 ILE A 52 -7.240 -13.141 -0.707 1.00 1.36 C ATOM 786 CG2 ILE A 52 -8.908 -15.029 -0.409 1.00 1.83 C ATOM 787 CD1 ILE A 52 -6.140 -13.997 -1.344 1.00 2.27 C ATOM 0 H ILE A 52 -9.516 -12.117 -0.629 1.00 0.65 H new ATOM 0 HA ILE A 52 -9.651 -13.739 1.733 1.00 0.80 H new ATOM 0 HB ILE A 52 -7.357 -14.416 0.970 1.00 1.08 H new ATOM 0 HG12 ILE A 52 -7.890 -12.745 -1.487 1.00 1.36 H new ATOM 0 HG13 ILE A 52 -6.790 -12.286 -0.203 1.00 1.36 H new ATOM 0 HG21 ILE A 52 -8.252 -15.650 -1.018 1.00 1.83 H new ATOM 0 HG22 ILE A 52 -9.408 -15.650 0.334 1.00 1.83 H new ATOM 0 HG23 ILE A 52 -9.654 -14.555 -1.047 1.00 1.83 H new ATOM 0 HD11 ILE A 52 -5.570 -13.392 -2.049 1.00 2.27 H new ATOM 0 HD12 ILE A 52 -5.474 -14.371 -0.566 1.00 2.27 H new ATOM 0 HD13 ILE A 52 -6.592 -14.838 -1.870 1.00 2.27 H new ATOM 799 N ILE A 53 -7.993 -10.970 1.882 1.00 0.65 N ATOM 800 CA ILE A 53 -7.236 -10.065 2.731 1.00 0.79 C ATOM 801 C ILE A 53 -7.883 -8.683 2.647 1.00 0.63 C ATOM 802 O ILE A 53 -8.577 -8.401 1.669 1.00 0.67 O ATOM 803 CB ILE A 53 -5.769 -10.114 2.279 1.00 1.10 C ATOM 804 CG1 ILE A 53 -4.872 -9.643 3.420 1.00 1.67 C ATOM 805 CG2 ILE A 53 -5.523 -9.305 0.999 1.00 1.15 C ATOM 806 CD1 ILE A 53 -3.395 -9.848 3.101 1.00 1.42 C ATOM 0 H ILE A 53 -8.330 -10.532 1.025 1.00 0.65 H new ATOM 0 HA ILE A 53 -7.248 -10.347 3.784 1.00 0.79 H new ATOM 0 HB ILE A 53 -5.523 -11.147 2.032 1.00 1.10 H new ATOM 0 HG12 ILE A 53 -5.058 -8.587 3.617 1.00 1.67 H new ATOM 0 HG13 ILE A 53 -5.126 -10.186 4.330 1.00 1.67 H new ATOM 0 HG21 ILE A 53 -4.471 -9.372 0.723 1.00 1.15 H new ATOM 0 HG22 ILE A 53 -6.137 -9.705 0.192 1.00 1.15 H new ATOM 0 HG23 ILE A 53 -5.787 -8.262 1.172 1.00 1.15 H new ATOM 0 HD11 ILE A 53 -2.790 -9.500 3.938 1.00 1.42 H new ATOM 0 HD12 ILE A 53 -3.203 -10.907 2.930 1.00 1.42 H new ATOM 0 HD13 ILE A 53 -3.134 -9.283 2.206 1.00 1.42 H new ATOM 818 N GLY A 54 -7.713 -7.849 3.676 1.00 0.61 N ATOM 819 CA GLY A 54 -8.398 -6.575 3.797 1.00 0.60 C ATOM 820 C GLY A 54 -7.415 -5.407 3.814 1.00 0.59 C ATOM 821 O GLY A 54 -6.201 -5.588 3.702 1.00 0.66 O ATOM 0 H GLY A 54 -7.086 -8.049 4.455 1.00 0.61 H new ATOM 0 HA2 GLY A 54 -9.093 -6.454 2.966 1.00 0.60 H new ATOM 0 HA3 GLY A 54 -8.991 -6.566 4.712 1.00 0.60 H new ATOM 825 N PRO A 55 -7.934 -4.184 3.990 1.00 0.62 N ATOM 826 CA PRO A 55 -7.106 -3.006 4.154 1.00 0.67 C ATOM 827 C PRO A 55 -6.341 -3.079 5.476 1.00 0.63 C ATOM 828 O PRO A 55 -5.223 -2.583 5.556 1.00 0.61 O ATOM 829 CB PRO A 55 -8.071 -1.817 4.113 1.00 0.77 C ATOM 830 CG PRO A 55 -9.391 -2.410 4.607 1.00 0.75 C ATOM 831 CD PRO A 55 -9.346 -3.850 4.091 1.00 0.67 C ATOM 0 HA PRO A 55 -6.351 -2.915 3.373 1.00 0.67 H new ATOM 0 HB2 PRO A 55 -7.732 -1.003 4.754 1.00 0.77 H new ATOM 0 HB3 PRO A 55 -8.165 -1.411 3.106 1.00 0.77 H new ATOM 0 HG2 PRO A 55 -9.466 -2.374 5.694 1.00 0.75 H new ATOM 0 HG3 PRO A 55 -10.249 -1.867 4.210 1.00 0.75 H new ATOM 0 HD2 PRO A 55 -9.861 -4.527 4.772 1.00 0.67 H new ATOM 0 HD3 PRO A 55 -9.839 -3.935 3.123 1.00 0.67 H new ATOM 839 N ARG A 56 -6.931 -3.690 6.511 1.00 0.66 N ATOM 840 CA ARG A 56 -6.293 -3.848 7.812 1.00 0.68 C ATOM 841 C ARG A 56 -4.924 -4.510 7.672 1.00 0.65 C ATOM 842 O ARG A 56 -3.932 -3.994 8.184 1.00 0.64 O ATOM 843 CB ARG A 56 -7.187 -4.658 8.757 1.00 0.79 C ATOM 844 CG ARG A 56 -8.472 -3.896 9.102 1.00 1.71 C ATOM 845 CD ARG A 56 -9.246 -4.640 10.198 1.00 2.18 C ATOM 846 NE ARG A 56 -10.459 -3.907 10.598 1.00 3.56 N ATOM 847 CZ ARG A 56 -11.629 -3.909 9.935 1.00 4.78 C ATOM 848 NH1 ARG A 56 -11.754 -4.618 8.808 1.00 5.15 N ATOM 849 NH2 ARG A 56 -12.662 -3.199 10.402 1.00 6.26 N ATOM 0 H ARG A 56 -7.869 -4.088 6.463 1.00 0.66 H new ATOM 0 HA ARG A 56 -6.148 -2.856 8.239 1.00 0.68 H new ATOM 0 HB2 ARG A 56 -7.441 -5.611 8.293 1.00 0.79 H new ATOM 0 HB3 ARG A 56 -6.640 -4.885 9.672 1.00 0.79 H new ATOM 0 HG2 ARG A 56 -8.228 -2.888 9.438 1.00 1.71 H new ATOM 0 HG3 ARG A 56 -9.093 -3.793 8.212 1.00 1.71 H new ATOM 0 HD2 ARG A 56 -9.521 -5.632 9.840 1.00 2.18 H new ATOM 0 HD3 ARG A 56 -8.603 -4.781 11.066 1.00 2.18 H new ATOM 0 HE ARG A 56 -10.407 -3.350 11.451 1.00 3.56 H new ATOM 0 HH11 ARG A 56 -10.963 -5.156 8.453 1.00 5.15 H new ATOM 0 HH12 ARG A 56 -12.640 -4.621 8.303 1.00 5.15 H new ATOM 0 HH21 ARG A 56 -12.562 -2.657 11.260 1.00 6.26 H new ATOM 0 HH22 ARG A 56 -13.550 -3.200 9.900 1.00 6.26 H new ATOM 863 N ASP A 57 -4.860 -5.650 6.980 1.00 0.67 N ATOM 864 CA ASP A 57 -3.628 -6.408 6.842 1.00 0.68 C ATOM 865 C ASP A 57 -2.541 -5.521 6.232 1.00 0.65 C ATOM 866 O ASP A 57 -1.438 -5.407 6.768 1.00 0.65 O ATOM 867 CB ASP A 57 -3.892 -7.636 5.965 1.00 0.75 C ATOM 868 CG ASP A 57 -5.192 -8.346 6.328 1.00 1.29 C ATOM 869 OD1 ASP A 57 -6.252 -7.774 5.973 1.00 2.31 O ATOM 870 OD2 ASP A 57 -5.111 -9.423 6.950 1.00 2.08 O ATOM 0 H ASP A 57 -5.660 -6.067 6.504 1.00 0.67 H new ATOM 0 HA ASP A 57 -3.282 -6.743 7.820 1.00 0.68 H new ATOM 0 HB2 ASP A 57 -3.929 -7.330 4.919 1.00 0.75 H new ATOM 0 HB3 ASP A 57 -3.061 -8.334 6.064 1.00 0.75 H new ATOM 875 N ILE A 58 -2.875 -4.861 5.120 1.00 0.64 N ATOM 876 CA ILE A 58 -1.998 -3.900 4.462 1.00 0.62 C ATOM 877 C ILE A 58 -1.564 -2.830 5.455 1.00 0.57 C ATOM 878 O ILE A 58 -0.372 -2.553 5.581 1.00 0.57 O ATOM 879 CB ILE A 58 -2.713 -3.277 3.253 1.00 0.64 C ATOM 880 CG1 ILE A 58 -2.827 -4.348 2.159 1.00 0.80 C ATOM 881 CG2 ILE A 58 -1.985 -2.031 2.721 1.00 0.66 C ATOM 882 CD1 ILE A 58 -3.667 -3.853 0.990 1.00 1.20 C ATOM 0 H ILE A 58 -3.772 -4.983 4.650 1.00 0.64 H new ATOM 0 HA ILE A 58 -1.106 -4.412 4.101 1.00 0.62 H new ATOM 0 HB ILE A 58 -3.702 -2.942 3.564 1.00 0.64 H new ATOM 0 HG12 ILE A 58 -1.832 -4.619 1.806 1.00 0.80 H new ATOM 0 HG13 ILE A 58 -3.274 -5.251 2.575 1.00 0.80 H new ATOM 0 HG21 ILE A 58 -2.530 -1.628 1.867 1.00 0.66 H new ATOM 0 HG22 ILE A 58 -1.933 -1.277 3.506 1.00 0.66 H new ATOM 0 HG23 ILE A 58 -0.976 -2.303 2.412 1.00 0.66 H new ATOM 0 HD11 ILE A 58 -3.730 -4.633 0.231 1.00 1.20 H new ATOM 0 HD12 ILE A 58 -4.669 -3.606 1.341 1.00 1.20 H new ATOM 0 HD13 ILE A 58 -3.204 -2.965 0.560 1.00 1.20 H new ATOM 894 N ILE A 59 -2.526 -2.212 6.142 1.00 0.54 N ATOM 895 CA ILE A 59 -2.248 -1.157 7.097 1.00 0.52 C ATOM 896 C ILE A 59 -1.185 -1.640 8.081 1.00 0.52 C ATOM 897 O ILE A 59 -0.137 -1.017 8.206 1.00 0.52 O ATOM 898 CB ILE A 59 -3.548 -0.649 7.751 1.00 0.55 C ATOM 899 CG1 ILE A 59 -4.285 0.286 6.777 1.00 0.57 C ATOM 900 CG2 ILE A 59 -3.293 0.069 9.084 1.00 0.56 C ATOM 901 CD1 ILE A 59 -5.776 0.380 7.101 1.00 0.61 C ATOM 0 H ILE A 59 -3.517 -2.434 6.047 1.00 0.54 H new ATOM 0 HA ILE A 59 -1.833 -0.283 6.595 1.00 0.52 H new ATOM 0 HB ILE A 59 -4.167 -1.519 7.972 1.00 0.55 H new ATOM 0 HG12 ILE A 59 -3.840 1.280 6.820 1.00 0.57 H new ATOM 0 HG13 ILE A 59 -4.157 -0.077 5.757 1.00 0.57 H new ATOM 0 HG21 ILE A 59 -4.241 0.407 9.503 1.00 0.56 H new ATOM 0 HG22 ILE A 59 -2.813 -0.618 9.781 1.00 0.56 H new ATOM 0 HG23 ILE A 59 -2.644 0.928 8.916 1.00 0.56 H new ATOM 0 HD11 ILE A 59 -6.261 1.050 6.391 1.00 0.61 H new ATOM 0 HD12 ILE A 59 -6.226 -0.610 7.032 1.00 0.61 H new ATOM 0 HD13 ILE A 59 -5.905 0.768 8.112 1.00 0.61 H new ATOM 913 N HIS A 60 -1.413 -2.795 8.704 1.00 0.56 N ATOM 914 CA HIS A 60 -0.527 -3.330 9.727 1.00 0.58 C ATOM 915 C HIS A 60 0.828 -3.704 9.129 1.00 0.57 C ATOM 916 O HIS A 60 1.871 -3.527 9.758 1.00 0.60 O ATOM 917 CB HIS A 60 -1.214 -4.501 10.433 1.00 0.63 C ATOM 918 CG HIS A 60 -2.527 -4.096 11.063 1.00 0.98 C ATOM 919 ND1 HIS A 60 -2.820 -2.857 11.592 1.00 2.43 N ATOM 920 CD2 HIS A 60 -3.676 -4.841 11.098 1.00 1.21 C ATOM 921 CE1 HIS A 60 -4.117 -2.863 11.938 1.00 2.66 C ATOM 922 NE2 HIS A 60 -4.685 -4.050 11.659 1.00 1.77 N ATOM 0 H HIS A 60 -2.222 -3.386 8.510 1.00 0.56 H new ATOM 0 HA HIS A 60 -0.324 -2.567 10.479 1.00 0.58 H new ATOM 0 HB2 HIS A 60 -1.389 -5.303 9.716 1.00 0.63 H new ATOM 0 HB3 HIS A 60 -0.551 -4.899 11.202 1.00 0.63 H new ATOM 0 HD1 HIS A 60 -2.170 -2.078 11.701 1.00 2.43 H new ATOM 0 HD2 HIS A 60 -3.784 -5.859 10.754 1.00 1.21 H new ATOM 0 HE1 HIS A 60 -4.636 -2.026 12.382 1.00 2.66 H new ATOM 930 N THR A 61 0.824 -4.185 7.887 1.00 0.57 N ATOM 931 CA THR A 61 2.052 -4.468 7.163 1.00 0.61 C ATOM 932 C THR A 61 2.869 -3.179 7.006 1.00 0.60 C ATOM 933 O THR A 61 4.066 -3.155 7.288 1.00 0.66 O ATOM 934 CB THR A 61 1.698 -5.137 5.827 1.00 0.66 C ATOM 935 OG1 THR A 61 1.043 -6.362 6.081 1.00 0.72 O ATOM 936 CG2 THR A 61 2.926 -5.437 4.963 1.00 0.74 C ATOM 0 H THR A 61 -0.027 -4.387 7.361 1.00 0.57 H new ATOM 0 HA THR A 61 2.683 -5.165 7.714 1.00 0.61 H new ATOM 0 HB THR A 61 1.063 -4.436 5.285 1.00 0.66 H new ATOM 0 HG1 THR A 61 0.131 -6.187 6.394 1.00 0.72 H new ATOM 0 HG21 THR A 61 2.610 -5.909 4.033 1.00 0.74 H new ATOM 0 HG22 THR A 61 3.449 -4.507 4.739 1.00 0.74 H new ATOM 0 HG23 THR A 61 3.595 -6.108 5.502 1.00 0.74 H new ATOM 944 N ILE A 62 2.239 -2.092 6.564 1.00 0.56 N ATOM 945 CA ILE A 62 2.923 -0.824 6.347 1.00 0.55 C ATOM 946 C ILE A 62 3.322 -0.165 7.683 1.00 0.55 C ATOM 947 O ILE A 62 4.408 0.413 7.781 1.00 0.57 O ATOM 948 CB ILE A 62 2.088 0.053 5.399 1.00 0.54 C ATOM 949 CG1 ILE A 62 1.953 -0.633 4.023 1.00 0.62 C ATOM 950 CG2 ILE A 62 2.723 1.435 5.213 1.00 0.54 C ATOM 951 CD1 ILE A 62 1.009 0.112 3.076 1.00 0.99 C ATOM 0 H ILE A 62 1.243 -2.068 6.347 1.00 0.56 H new ATOM 0 HA ILE A 62 3.876 -0.985 5.843 1.00 0.55 H new ATOM 0 HB ILE A 62 1.103 0.181 5.848 1.00 0.54 H new ATOM 0 HG12 ILE A 62 2.938 -0.708 3.562 1.00 0.62 H new ATOM 0 HG13 ILE A 62 1.589 -1.651 4.164 1.00 0.62 H new ATOM 0 HG21 ILE A 62 2.108 2.030 4.538 1.00 0.54 H new ATOM 0 HG22 ILE A 62 2.792 1.937 6.178 1.00 0.54 H new ATOM 0 HG23 ILE A 62 3.722 1.323 4.791 1.00 0.54 H new ATOM 0 HD11 ILE A 62 0.955 -0.418 2.125 1.00 0.99 H new ATOM 0 HD12 ILE A 62 0.015 0.164 3.520 1.00 0.99 H new ATOM 0 HD13 ILE A 62 1.384 1.121 2.908 1.00 0.99 H new ATOM 963 N GLU A 63 2.501 -0.296 8.732 1.00 0.57 N ATOM 964 CA GLU A 63 2.911 0.057 10.088 1.00 0.68 C ATOM 965 C GLU A 63 4.199 -0.693 10.436 1.00 0.70 C ATOM 966 O GLU A 63 5.169 -0.084 10.876 1.00 0.76 O ATOM 967 CB GLU A 63 1.809 -0.262 11.110 1.00 0.84 C ATOM 968 CG GLU A 63 0.587 0.659 10.999 1.00 1.01 C ATOM 969 CD GLU A 63 -0.473 0.280 12.028 1.00 1.70 C ATOM 970 OE1 GLU A 63 -1.244 -0.662 11.741 1.00 2.62 O ATOM 971 OE2 GLU A 63 -0.480 0.921 13.099 1.00 2.49 O ATOM 0 H GLU A 63 1.545 -0.646 8.662 1.00 0.57 H new ATOM 0 HA GLU A 63 3.090 1.131 10.129 1.00 0.68 H new ATOM 0 HB2 GLU A 63 1.489 -1.295 10.977 1.00 0.84 H new ATOM 0 HB3 GLU A 63 2.223 -0.184 12.115 1.00 0.84 H new ATOM 0 HG2 GLU A 63 0.892 1.695 11.149 1.00 1.01 H new ATOM 0 HG3 GLU A 63 0.166 0.593 9.996 1.00 1.01 H new ATOM 978 N SER A 64 4.227 -2.010 10.204 1.00 0.68 N ATOM 979 CA SER A 64 5.416 -2.824 10.431 1.00 0.74 C ATOM 980 C SER A 64 6.605 -2.310 9.606 1.00 0.75 C ATOM 981 O SER A 64 7.716 -2.209 10.123 1.00 0.80 O ATOM 982 CB SER A 64 5.104 -4.305 10.167 1.00 0.76 C ATOM 983 OG SER A 64 6.155 -5.135 10.623 1.00 2.12 O ATOM 0 H SER A 64 3.426 -2.536 9.855 1.00 0.68 H new ATOM 0 HA SER A 64 5.711 -2.738 11.477 1.00 0.74 H new ATOM 0 HB2 SER A 64 4.176 -4.579 10.668 1.00 0.76 H new ATOM 0 HB3 SER A 64 4.949 -4.463 9.100 1.00 0.76 H new ATOM 0 HG SER A 64 5.932 -6.073 10.445 1.00 2.12 H new ATOM 989 N LEU A 65 6.390 -1.952 8.333 1.00 0.77 N ATOM 990 CA LEU A 65 7.429 -1.303 7.537 1.00 0.77 C ATOM 991 C LEU A 65 7.906 -0.002 8.185 1.00 0.82 C ATOM 992 O LEU A 65 9.096 0.307 8.093 1.00 1.03 O ATOM 993 CB LEU A 65 6.963 -1.009 6.103 1.00 0.70 C ATOM 994 CG LEU A 65 6.773 -2.248 5.221 1.00 0.82 C ATOM 995 CD1 LEU A 65 6.259 -1.788 3.853 1.00 1.00 C ATOM 996 CD2 LEU A 65 8.095 -3.001 5.030 1.00 1.17 C ATOM 0 H LEU A 65 5.510 -2.101 7.839 1.00 0.77 H new ATOM 0 HA LEU A 65 8.259 -2.009 7.496 1.00 0.77 H new ATOM 0 HB2 LEU A 65 6.020 -0.464 6.147 1.00 0.70 H new ATOM 0 HB3 LEU A 65 7.690 -0.350 5.628 1.00 0.70 H new ATOM 0 HG LEU A 65 6.064 -2.921 5.703 1.00 0.82 H new ATOM 0 HD11 LEU A 65 6.116 -2.655 3.208 1.00 1.00 H new ATOM 0 HD12 LEU A 65 5.309 -1.268 3.977 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.985 -1.114 3.399 1.00 1.00 H new ATOM 0 HD21 LEU A 65 7.928 -3.875 4.400 1.00 1.17 H new ATOM 0 HD22 LEU A 65 8.823 -2.344 4.554 1.00 1.17 H new ATOM 0 HD23 LEU A 65 8.475 -3.320 6.000 1.00 1.17 H new ATOM 1008 N GLY A 66 6.992 0.757 8.790 1.00 0.73 N ATOM 1009 CA GLY A 66 7.285 1.980 9.518 1.00 0.78 C ATOM 1010 C GLY A 66 6.844 3.218 8.743 1.00 0.74 C ATOM 1011 O GLY A 66 7.530 4.237 8.789 1.00 0.83 O ATOM 0 H GLY A 66 5.999 0.526 8.784 1.00 0.73 H new ATOM 0 HA2 GLY A 66 6.782 1.957 10.485 1.00 0.78 H new ATOM 0 HA3 GLY A 66 8.355 2.037 9.717 1.00 0.78 H new ATOM 1015 N PHE A 67 5.695 3.146 8.062 1.00 0.66 N ATOM 1016 CA PHE A 67 5.030 4.304 7.472 1.00 0.62 C ATOM 1017 C PHE A 67 3.571 4.282 7.924 1.00 0.62 C ATOM 1018 O PHE A 67 3.104 3.245 8.389 1.00 0.67 O ATOM 1019 CB PHE A 67 5.136 4.263 5.941 1.00 0.56 C ATOM 1020 CG PHE A 67 6.536 4.091 5.380 1.00 0.52 C ATOM 1021 CD1 PHE A 67 7.571 4.950 5.793 1.00 1.98 C ATOM 1022 CD2 PHE A 67 6.797 3.105 4.409 1.00 1.80 C ATOM 1023 CE1 PHE A 67 8.859 4.820 5.249 1.00 2.10 C ATOM 1024 CE2 PHE A 67 8.077 3.002 3.835 1.00 1.72 C ATOM 1025 CZ PHE A 67 9.114 3.835 4.283 1.00 0.71 C ATOM 0 H PHE A 67 5.198 2.269 7.905 1.00 0.66 H new ATOM 0 HA PHE A 67 5.507 5.227 7.801 1.00 0.62 H new ATOM 0 HB2 PHE A 67 4.515 3.446 5.574 1.00 0.56 H new ATOM 0 HB3 PHE A 67 4.716 5.186 5.542 1.00 0.56 H new ATOM 0 HD1 PHE A 67 7.374 5.713 6.532 1.00 1.98 H new ATOM 0 HD2 PHE A 67 6.013 2.427 4.105 1.00 1.80 H new ATOM 0 HE1 PHE A 67 9.652 5.477 5.574 1.00 2.10 H new ATOM 0 HE2 PHE A 67 8.262 2.283 3.051 1.00 1.72 H new ATOM 0 HZ PHE A 67 10.110 3.717 3.883 1.00 0.71 H new ATOM 1035 N GLU A 68 2.856 5.403 7.793 1.00 0.62 N ATOM 1036 CA GLU A 68 1.499 5.543 8.291 1.00 0.64 C ATOM 1037 C GLU A 68 0.511 5.610 7.119 1.00 0.53 C ATOM 1038 O GLU A 68 0.355 6.684 6.532 1.00 0.64 O ATOM 1039 CB GLU A 68 1.423 6.832 9.102 1.00 0.90 C ATOM 1040 CG GLU A 68 2.287 6.823 10.367 1.00 1.42 C ATOM 1041 CD GLU A 68 2.213 8.191 11.018 1.00 2.07 C ATOM 1042 OE1 GLU A 68 2.898 9.104 10.512 1.00 2.83 O ATOM 1043 OE2 GLU A 68 1.357 8.389 11.906 1.00 2.75 O ATOM 0 H GLU A 68 3.212 6.241 7.334 1.00 0.62 H new ATOM 0 HA GLU A 68 1.239 4.686 8.912 1.00 0.64 H new ATOM 0 HB2 GLU A 68 1.730 7.665 8.470 1.00 0.90 H new ATOM 0 HB3 GLU A 68 0.386 7.011 9.384 1.00 0.90 H new ATOM 0 HG2 GLU A 68 1.937 6.056 11.058 1.00 1.42 H new ATOM 0 HG3 GLU A 68 3.320 6.579 10.117 1.00 1.42 H new ATOM 1050 N PRO A 69 -0.153 4.498 6.763 1.00 0.46 N ATOM 1051 CA PRO A 69 -1.166 4.460 5.720 1.00 0.48 C ATOM 1052 C PRO A 69 -2.498 4.991 6.258 1.00 0.72 C ATOM 1053 O PRO A 69 -2.812 4.843 7.437 1.00 1.63 O ATOM 1054 CB PRO A 69 -1.268 2.989 5.318 1.00 0.46 C ATOM 1055 CG PRO A 69 -0.983 2.277 6.633 1.00 0.50 C ATOM 1056 CD PRO A 69 0.020 3.178 7.344 1.00 0.55 C ATOM 0 HA PRO A 69 -0.911 5.086 4.865 1.00 0.48 H new ATOM 0 HB2 PRO A 69 -2.254 2.741 4.926 1.00 0.46 H new ATOM 0 HB3 PRO A 69 -0.544 2.726 4.547 1.00 0.46 H new ATOM 0 HG2 PRO A 69 -1.892 2.152 7.222 1.00 0.50 H new ATOM 0 HG3 PRO A 69 -0.573 1.281 6.465 1.00 0.50 H new ATOM 0 HD2 PRO A 69 -0.164 3.196 8.418 1.00 0.55 H new ATOM 0 HD3 PRO A 69 1.039 2.818 7.201 1.00 0.55 H new ATOM 1064 N SER A 70 -3.296 5.622 5.397 1.00 0.79 N ATOM 1065 CA SER A 70 -4.623 6.123 5.720 1.00 1.02 C ATOM 1066 C SER A 70 -5.449 6.166 4.434 1.00 0.79 C ATOM 1067 O SER A 70 -5.094 6.875 3.493 1.00 0.69 O ATOM 1068 CB SER A 70 -4.494 7.512 6.354 1.00 1.36 C ATOM 1069 OG SER A 70 -3.935 7.408 7.650 1.00 2.29 O ATOM 0 H SER A 70 -3.026 5.802 4.430 1.00 0.79 H new ATOM 0 HA SER A 70 -5.126 5.472 6.436 1.00 1.02 H new ATOM 0 HB2 SER A 70 -3.867 8.148 5.729 1.00 1.36 H new ATOM 0 HB3 SER A 70 -5.474 7.987 6.410 1.00 1.36 H new ATOM 0 HG SER A 70 -3.618 6.492 7.797 1.00 2.29 H new ATOM 1075 N LEU A 71 -6.544 5.402 4.378 1.00 0.86 N ATOM 1076 CA LEU A 71 -7.389 5.280 3.193 1.00 0.79 C ATOM 1077 C LEU A 71 -8.296 6.504 3.020 1.00 0.96 C ATOM 1078 O LEU A 71 -9.519 6.391 3.010 1.00 1.52 O ATOM 1079 CB LEU A 71 -8.162 3.949 3.207 1.00 1.16 C ATOM 1080 CG LEU A 71 -9.046 3.736 4.453 1.00 1.37 C ATOM 1081 CD1 LEU A 71 -10.422 3.204 4.038 1.00 1.84 C ATOM 1082 CD2 LEU A 71 -8.406 2.735 5.424 1.00 2.29 C ATOM 0 H LEU A 71 -6.870 4.844 5.167 1.00 0.86 H new ATOM 0 HA LEU A 71 -6.748 5.259 2.312 1.00 0.79 H new ATOM 0 HB2 LEU A 71 -8.791 3.899 2.318 1.00 1.16 H new ATOM 0 HB3 LEU A 71 -7.448 3.128 3.139 1.00 1.16 H new ATOM 0 HG LEU A 71 -9.149 4.700 4.952 1.00 1.37 H new ATOM 0 HD11 LEU A 71 -11.038 3.057 4.925 1.00 1.84 H new ATOM 0 HD12 LEU A 71 -10.905 3.922 3.376 1.00 1.84 H new ATOM 0 HD13 LEU A 71 -10.303 2.254 3.518 1.00 1.84 H new ATOM 0 HD21 LEU A 71 -9.053 2.606 6.292 1.00 2.29 H new ATOM 0 HD22 LEU A 71 -8.275 1.776 4.923 1.00 2.29 H new ATOM 0 HD23 LEU A 71 -7.435 3.111 5.747 1.00 2.29 H new ATOM 1094 N VAL A 72 -7.683 7.682 2.880 1.00 1.26 N ATOM 1095 CA VAL A 72 -8.366 8.959 2.727 1.00 1.63 C ATOM 1096 C VAL A 72 -7.961 9.541 1.371 1.00 1.81 C ATOM 1097 O VAL A 72 -7.354 10.606 1.281 1.00 3.08 O ATOM 1098 CB VAL A 72 -8.026 9.878 3.915 1.00 3.15 C ATOM 1099 CG1 VAL A 72 -8.890 11.148 3.915 1.00 4.08 C ATOM 1100 CG2 VAL A 72 -8.258 9.162 5.255 1.00 4.33 C ATOM 0 H VAL A 72 -6.667 7.771 2.870 1.00 1.26 H new ATOM 0 HA VAL A 72 -9.450 8.845 2.738 1.00 1.63 H new ATOM 0 HB VAL A 72 -6.975 10.143 3.802 1.00 3.15 H new ATOM 0 HG11 VAL A 72 -8.621 11.771 4.768 1.00 4.08 H new ATOM 0 HG12 VAL A 72 -8.721 11.703 2.992 1.00 4.08 H new ATOM 0 HG13 VAL A 72 -9.942 10.872 3.985 1.00 4.08 H new ATOM 0 HG21 VAL A 72 -8.010 9.836 6.075 1.00 4.33 H new ATOM 0 HG22 VAL A 72 -9.304 8.866 5.333 1.00 4.33 H new ATOM 0 HG23 VAL A 72 -7.625 8.276 5.309 1.00 4.33 H new