USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 667 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 85 GLN : amide:sc= -2.18! C(o=-2.2!,f=-3.8!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.0415 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -121:sc= -0.854 (180deg=-3.54!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 156:sc= -3.35! USER MOD Single : A 29 THR OG1 : rot 157:sc= 1.11 USER MOD Single : A 31 GLN : amide:sc= -3.02! C(o=-3!,f=-3.3!) USER MOD Single : A 39 TYR OH : rot -51:sc= -4.34! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.42) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.181 USER MOD Single : A 56 THR OG1 : rot -52:sc= 0.389 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -0.448 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 81:sc= 0.55 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.275 K(o=-0.27,f=-1) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl -137:sc= -1.45 (180deg=-3.76!) USER MOD Single : A 74 GLN : amide:sc= -2.68! K(o=-2.7!,f=-1.5) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.219 13.644 10.958 1.00 0.00 N ATOM 2 CA GLY A 1 15.516 13.796 12.220 1.00 0.00 C ATOM 3 C GLY A 1 14.527 12.650 12.440 1.00 0.00 C ATOM 4 O GLY A 1 13.989 12.098 11.481 1.00 0.00 O ATOM 0 H1 GLY A 1 16.437 14.583 10.567 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.104 13.120 11.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.620 13.121 10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.234 13.823 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.984 14.747 12.231 1.00 0.00 H new ATOM 8 N SER A 2 14.317 12.325 13.707 1.00 0.00 N ATOM 9 CA SER A 2 13.402 11.255 14.063 1.00 0.00 C ATOM 10 C SER A 2 12.259 11.807 14.919 1.00 0.00 C ATOM 11 O SER A 2 12.288 11.697 16.143 1.00 0.00 O ATOM 12 CB SER A 2 14.129 10.135 14.809 1.00 0.00 C ATOM 13 OG SER A 2 14.511 9.074 13.938 1.00 0.00 O ATOM 0 H SER A 2 14.765 12.784 14.500 1.00 0.00 H new ATOM 0 HA SER A 2 12.991 10.837 13.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.015 10.540 15.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.483 9.744 15.595 1.00 0.00 H new ATOM 0 HG SER A 2 14.974 8.380 14.452 1.00 0.00 H new ATOM 19 N SER A 3 11.281 12.387 14.239 1.00 0.00 N ATOM 20 CA SER A 3 10.131 12.956 14.921 1.00 0.00 C ATOM 21 C SER A 3 8.961 11.971 14.886 1.00 0.00 C ATOM 22 O SER A 3 8.651 11.408 13.837 1.00 0.00 O ATOM 23 CB SER A 3 9.722 14.289 14.292 1.00 0.00 C ATOM 24 OG SER A 3 8.392 14.661 14.647 1.00 0.00 O ATOM 0 H SER A 3 11.261 12.475 13.223 1.00 0.00 H new ATOM 0 HA SER A 3 10.407 13.144 15.958 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.414 15.068 14.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.801 14.218 13.207 1.00 0.00 H new ATOM 0 HG SER A 3 8.169 15.518 14.227 1.00 0.00 H new ATOM 30 N GLY A 4 8.344 11.792 16.044 1.00 0.00 N ATOM 31 CA GLY A 4 7.215 10.885 16.158 1.00 0.00 C ATOM 32 C GLY A 4 5.951 11.634 16.584 1.00 0.00 C ATOM 33 O GLY A 4 6.010 12.540 17.413 1.00 0.00 O ATOM 0 H GLY A 4 8.605 12.260 16.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.044 10.390 15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.442 10.105 16.885 1.00 0.00 H new ATOM 37 N SER A 5 4.835 11.227 15.997 1.00 0.00 N ATOM 38 CA SER A 5 3.557 11.848 16.305 1.00 0.00 C ATOM 39 C SER A 5 2.412 10.935 15.864 1.00 0.00 C ATOM 40 O SER A 5 1.911 11.056 14.747 1.00 0.00 O ATOM 41 CB SER A 5 3.434 13.216 15.633 1.00 0.00 C ATOM 42 OG SER A 5 3.387 14.276 16.585 1.00 0.00 O ATOM 0 H SER A 5 4.789 10.475 15.310 1.00 0.00 H new ATOM 0 HA SER A 5 3.500 11.997 17.383 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.280 13.368 14.963 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.533 13.239 15.020 1.00 0.00 H new ATOM 0 HG SER A 5 3.310 15.133 16.116 1.00 0.00 H new ATOM 48 N SER A 6 2.029 10.041 16.765 1.00 0.00 N ATOM 49 CA SER A 6 0.952 9.108 16.483 1.00 0.00 C ATOM 50 C SER A 6 -0.364 9.868 16.297 1.00 0.00 C ATOM 51 O SER A 6 -1.012 9.749 15.260 1.00 0.00 O ATOM 52 CB SER A 6 0.813 8.072 17.600 1.00 0.00 C ATOM 53 OG SER A 6 1.899 7.150 17.610 1.00 0.00 O ATOM 0 H SER A 6 2.446 9.944 17.691 1.00 0.00 H new ATOM 0 HA SER A 6 1.192 8.578 15.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.761 8.581 18.562 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.123 7.528 17.476 1.00 0.00 H new ATOM 0 HG SER A 6 1.775 6.506 18.338 1.00 0.00 H new ATOM 59 N GLY A 7 -0.717 10.632 17.320 1.00 0.00 N ATOM 60 CA GLY A 7 -1.943 11.411 17.284 1.00 0.00 C ATOM 61 C GLY A 7 -3.151 10.520 16.986 1.00 0.00 C ATOM 62 O GLY A 7 -3.047 9.296 17.024 1.00 0.00 O ATOM 0 H GLY A 7 -0.175 10.728 18.179 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.086 11.915 18.240 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.863 12.187 16.523 1.00 0.00 H new ATOM 66 N SER A 8 -4.269 11.170 16.696 1.00 0.00 N ATOM 67 CA SER A 8 -5.495 10.452 16.393 1.00 0.00 C ATOM 68 C SER A 8 -5.656 10.309 14.877 1.00 0.00 C ATOM 69 O SER A 8 -5.730 9.195 14.360 1.00 0.00 O ATOM 70 CB SER A 8 -6.711 11.160 16.991 1.00 0.00 C ATOM 71 OG SER A 8 -6.652 11.214 18.414 1.00 0.00 O ATOM 0 H SER A 8 -4.351 12.186 16.665 1.00 0.00 H new ATOM 0 HA SER A 8 -5.430 9.460 16.841 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.773 12.173 16.592 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.619 10.641 16.685 1.00 0.00 H new ATOM 0 HG SER A 8 -7.446 11.675 18.757 1.00 0.00 H new ATOM 77 N GLU A 9 -5.704 11.452 14.210 1.00 0.00 N ATOM 78 CA GLU A 9 -5.855 11.468 12.764 1.00 0.00 C ATOM 79 C GLU A 9 -5.258 12.751 12.182 1.00 0.00 C ATOM 80 O GLU A 9 -5.990 13.658 11.790 1.00 0.00 O ATOM 81 CB GLU A 9 -7.324 11.316 12.364 1.00 0.00 C ATOM 82 CG GLU A 9 -7.452 10.720 10.961 1.00 0.00 C ATOM 83 CD GLU A 9 -8.206 9.390 10.997 1.00 0.00 C ATOM 84 OE1 GLU A 9 -9.172 9.306 11.787 1.00 0.00 O ATOM 85 OE2 GLU A 9 -7.802 8.487 10.234 1.00 0.00 O ATOM 0 H GLU A 9 -5.641 12.373 14.643 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.311 10.618 12.352 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.836 10.676 13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.816 12.288 12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.975 11.421 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.460 10.569 10.535 1.00 0.00 H new ATOM 92 N GLU A 10 -3.934 12.785 12.145 1.00 0.00 N ATOM 93 CA GLU A 10 -3.230 13.942 11.618 1.00 0.00 C ATOM 94 C GLU A 10 -2.345 13.534 10.440 1.00 0.00 C ATOM 95 O GLU A 10 -1.176 13.196 10.625 1.00 0.00 O ATOM 96 CB GLU A 10 -2.408 14.629 12.710 1.00 0.00 C ATOM 97 CG GLU A 10 -3.002 15.992 13.069 1.00 0.00 C ATOM 98 CD GLU A 10 -2.127 17.128 12.535 1.00 0.00 C ATOM 99 OE1 GLU A 10 -1.442 16.888 11.517 1.00 0.00 O ATOM 100 OE2 GLU A 10 -2.162 18.212 13.158 1.00 0.00 O ATOM 0 H GLU A 10 -3.330 12.030 12.471 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.968 14.660 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.376 13.997 13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.380 14.755 12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.006 16.076 12.654 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.096 16.078 14.152 1.00 0.00 H new ATOM 107 N ASP A 11 -2.934 13.577 9.255 1.00 0.00 N ATOM 108 CA ASP A 11 -2.213 13.214 8.046 1.00 0.00 C ATOM 109 C ASP A 11 -1.422 14.425 7.547 1.00 0.00 C ATOM 110 O ASP A 11 -1.840 15.566 7.740 1.00 0.00 O ATOM 111 CB ASP A 11 -3.177 12.789 6.936 1.00 0.00 C ATOM 112 CG ASP A 11 -4.439 13.644 6.814 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.324 14.747 6.236 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.491 13.175 7.299 1.00 0.00 O ATOM 0 H ASP A 11 -3.903 13.858 9.105 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.550 12.383 8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.646 12.814 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.473 11.754 7.109 1.00 0.00 H new ATOM 119 N ASP A 12 -0.293 14.135 6.916 1.00 0.00 N ATOM 120 CA ASP A 12 0.559 15.187 6.388 1.00 0.00 C ATOM 121 C ASP A 12 0.384 15.267 4.870 1.00 0.00 C ATOM 122 O ASP A 12 -0.360 14.480 4.286 1.00 0.00 O ATOM 123 CB ASP A 12 2.034 14.897 6.679 1.00 0.00 C ATOM 124 CG ASP A 12 2.556 15.464 8.000 1.00 0.00 C ATOM 125 OD1 ASP A 12 2.999 16.633 7.981 1.00 0.00 O ATOM 126 OD2 ASP A 12 2.500 14.716 9.000 1.00 0.00 O ATOM 0 H ASP A 12 0.051 13.188 6.759 1.00 0.00 H new ATOM 0 HA ASP A 12 0.273 16.124 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.183 13.817 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.636 15.301 5.865 1.00 0.00 H new ATOM 131 N GLU A 13 1.081 16.223 4.275 1.00 0.00 N ATOM 132 CA GLU A 13 1.011 16.415 2.836 1.00 0.00 C ATOM 133 C GLU A 13 1.565 15.189 2.109 1.00 0.00 C ATOM 134 O GLU A 13 1.214 14.934 0.959 1.00 0.00 O ATOM 135 CB GLU A 13 1.755 17.684 2.416 1.00 0.00 C ATOM 136 CG GLU A 13 1.018 18.936 2.898 1.00 0.00 C ATOM 137 CD GLU A 13 2.003 19.990 3.410 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.328 19.924 4.615 1.00 0.00 O ATOM 139 OE2 GLU A 13 2.410 20.836 2.585 1.00 0.00 O ATOM 0 H GLU A 13 1.697 16.873 4.763 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.035 16.537 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.765 17.671 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.853 17.710 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.427 19.351 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.321 18.669 3.692 1.00 0.00 H new ATOM 146 N VAL A 14 2.422 14.461 2.811 1.00 0.00 N ATOM 147 CA VAL A 14 3.028 13.268 2.247 1.00 0.00 C ATOM 148 C VAL A 14 1.995 12.139 2.221 1.00 0.00 C ATOM 149 O VAL A 14 1.815 11.481 1.197 1.00 0.00 O ATOM 150 CB VAL A 14 4.292 12.903 3.028 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.947 12.442 4.445 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.107 11.840 2.288 1.00 0.00 C ATOM 0 H VAL A 14 2.711 14.675 3.766 1.00 0.00 H new ATOM 0 HA VAL A 14 3.339 13.448 1.218 1.00 0.00 H new ATOM 0 HB VAL A 14 4.907 13.800 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.863 12.189 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.430 13.243 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.302 11.565 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.000 11.599 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.503 10.941 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.399 12.221 1.310 1.00 0.00 H new ATOM 162 N VAL A 15 1.344 11.951 3.359 1.00 0.00 N ATOM 163 CA VAL A 15 0.332 10.914 3.480 1.00 0.00 C ATOM 164 C VAL A 15 -0.641 11.018 2.305 1.00 0.00 C ATOM 165 O VAL A 15 -0.828 10.056 1.561 1.00 0.00 O ATOM 166 CB VAL A 15 -0.359 11.014 4.841 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.760 10.401 4.790 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.486 10.359 5.935 1.00 0.00 C ATOM 0 H VAL A 15 1.497 12.499 4.206 1.00 0.00 H new ATOM 0 HA VAL A 15 0.790 9.926 3.436 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.464 12.071 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.230 10.485 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.362 10.931 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.687 9.350 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.028 10.444 6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.637 9.306 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.452 10.859 5.997 1.00 0.00 H new ATOM 178 N ALA A 16 -1.237 12.194 2.174 1.00 0.00 N ATOM 179 CA ALA A 16 -2.187 12.436 1.102 1.00 0.00 C ATOM 180 C ALA A 16 -1.560 12.027 -0.232 1.00 0.00 C ATOM 181 O ALA A 16 -2.258 11.577 -1.140 1.00 0.00 O ATOM 182 CB ALA A 16 -2.614 13.905 1.119 1.00 0.00 C ATOM 0 H ALA A 16 -1.080 12.990 2.793 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.085 11.834 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.327 14.086 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.081 14.137 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.739 14.540 0.978 1.00 0.00 H new ATOM 188 N MET A 17 -0.248 12.197 -0.309 1.00 0.00 N ATOM 189 CA MET A 17 0.481 11.851 -1.518 1.00 0.00 C ATOM 190 C MET A 17 0.395 10.350 -1.799 1.00 0.00 C ATOM 191 O MET A 17 0.037 9.941 -2.902 1.00 0.00 O ATOM 192 CB MET A 17 1.948 12.259 -1.363 1.00 0.00 C ATOM 193 CG MET A 17 2.505 12.810 -2.677 1.00 0.00 C ATOM 194 SD MET A 17 4.244 13.174 -2.497 1.00 0.00 S ATOM 195 CE MET A 17 4.164 14.471 -1.274 1.00 0.00 C ATOM 0 H MET A 17 0.329 12.569 0.445 1.00 0.00 H new ATOM 0 HA MET A 17 0.033 12.384 -2.356 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.039 13.013 -0.581 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.537 11.398 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.358 12.084 -3.477 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.964 13.712 -2.961 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.616 15.378 -1.676 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.123 14.667 -1.019 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.705 14.162 -0.380 1.00 0.00 H new ATOM 205 N ILE A 18 0.731 9.570 -0.783 1.00 0.00 N ATOM 206 CA ILE A 18 0.697 8.122 -0.907 1.00 0.00 C ATOM 207 C ILE A 18 -0.731 7.676 -1.228 1.00 0.00 C ATOM 208 O ILE A 18 -0.953 6.926 -2.177 1.00 0.00 O ATOM 209 CB ILE A 18 1.280 7.462 0.345 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.724 7.913 0.579 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.160 5.940 0.268 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.032 8.011 2.074 1.00 0.00 C ATOM 0 H ILE A 18 1.028 9.913 0.130 1.00 0.00 H new ATOM 0 HA ILE A 18 1.328 7.796 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 18 0.697 7.787 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.410 7.208 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.888 8.881 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.582 5.496 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.110 5.662 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.703 5.576 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.064 8.333 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.361 8.734 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.891 7.035 2.539 1.00 0.00 H new ATOM 224 N LYS A 19 -1.663 8.156 -0.417 1.00 0.00 N ATOM 225 CA LYS A 19 -3.064 7.817 -0.602 1.00 0.00 C ATOM 226 C LYS A 19 -3.397 7.840 -2.096 1.00 0.00 C ATOM 227 O LYS A 19 -3.989 6.898 -2.618 1.00 0.00 O ATOM 228 CB LYS A 19 -3.954 8.732 0.241 1.00 0.00 C ATOM 229 CG LYS A 19 -4.503 7.991 1.462 1.00 0.00 C ATOM 230 CD LYS A 19 -5.352 8.919 2.331 1.00 0.00 C ATOM 231 CE LYS A 19 -5.813 8.209 3.605 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.105 8.761 4.068 1.00 0.00 N ATOM 0 H LYS A 19 -1.475 8.777 0.370 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.261 6.806 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.383 9.602 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.780 9.102 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.104 7.142 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.677 7.591 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.775 9.806 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.220 9.259 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.914 7.140 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.061 8.325 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.403 8.268 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.997 9.776 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.824 8.628 3.329 1.00 0.00 H new ATOM 246 N GLU A 20 -3.002 8.929 -2.740 1.00 0.00 N ATOM 247 CA GLU A 20 -3.250 9.088 -4.162 1.00 0.00 C ATOM 248 C GLU A 20 -2.568 7.967 -4.950 1.00 0.00 C ATOM 249 O GLU A 20 -3.215 7.264 -5.723 1.00 0.00 O ATOM 250 CB GLU A 20 -2.786 10.461 -4.650 1.00 0.00 C ATOM 251 CG GLU A 20 -3.807 11.077 -5.610 1.00 0.00 C ATOM 252 CD GLU A 20 -3.112 11.717 -6.813 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.552 12.819 -6.625 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.156 11.090 -7.894 1.00 0.00 O ATOM 0 H GLU A 20 -2.512 9.709 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.325 9.023 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.638 11.123 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.822 10.366 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.500 10.308 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.398 11.828 -5.085 1.00 0.00 H new ATOM 261 N LEU A 21 -1.269 7.836 -4.725 1.00 0.00 N ATOM 262 CA LEU A 21 -0.491 6.813 -5.403 1.00 0.00 C ATOM 263 C LEU A 21 -1.183 5.459 -5.238 1.00 0.00 C ATOM 264 O LEU A 21 -0.951 4.540 -6.021 1.00 0.00 O ATOM 265 CB LEU A 21 0.958 6.827 -4.912 1.00 0.00 C ATOM 266 CG LEU A 21 2.034 6.870 -5.999 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.435 6.856 -5.383 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.840 5.736 -7.007 1.00 0.00 C ATOM 0 H LEU A 21 -0.735 8.422 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.442 7.019 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.092 7.691 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.122 5.940 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 21 1.931 7.807 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.182 6.887 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.557 7.725 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.566 5.946 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.618 5.789 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.901 4.777 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.862 5.832 -7.479 1.00 0.00 H new ATOM 280 N LEU A 22 -2.020 5.380 -4.214 1.00 0.00 N ATOM 281 CA LEU A 22 -2.748 4.154 -3.936 1.00 0.00 C ATOM 282 C LEU A 22 -4.066 4.160 -4.712 1.00 0.00 C ATOM 283 O LEU A 22 -4.422 3.169 -5.349 1.00 0.00 O ATOM 284 CB LEU A 22 -2.923 3.964 -2.428 1.00 0.00 C ATOM 285 CG LEU A 22 -1.744 3.327 -1.690 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.002 1.844 -1.420 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.435 3.553 -2.450 1.00 0.00 C ATOM 0 H LEU A 22 -2.210 6.145 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.180 3.289 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.123 4.937 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.807 3.348 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.643 3.817 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.148 1.416 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.897 1.736 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.145 1.321 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.387 3.090 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.508 3.107 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.250 4.623 -2.546 1.00 0.00 H new ATOM 299 N ASP A 23 -4.756 5.290 -4.634 1.00 0.00 N ATOM 300 CA ASP A 23 -6.027 5.439 -5.321 1.00 0.00 C ATOM 301 C ASP A 23 -5.786 5.461 -6.832 1.00 0.00 C ATOM 302 O ASP A 23 -6.595 4.944 -7.601 1.00 0.00 O ATOM 303 CB ASP A 23 -6.713 6.750 -4.933 1.00 0.00 C ATOM 304 CG ASP A 23 -7.951 6.595 -4.047 1.00 0.00 C ATOM 305 OD1 ASP A 23 -9.001 6.205 -4.602 1.00 0.00 O ATOM 306 OD2 ASP A 23 -7.820 6.869 -2.834 1.00 0.00 O ATOM 0 H ASP A 23 -4.458 6.110 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.664 4.601 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.991 7.381 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.000 7.276 -5.844 1.00 0.00 H new ATOM 311 N THR A 24 -4.670 6.065 -7.212 1.00 0.00 N ATOM 312 CA THR A 24 -4.312 6.161 -8.617 1.00 0.00 C ATOM 313 C THR A 24 -4.724 4.890 -9.360 1.00 0.00 C ATOM 314 O THR A 24 -5.845 4.792 -9.858 1.00 0.00 O ATOM 315 CB THR A 24 -2.814 6.459 -8.704 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.251 5.724 -7.621 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.485 7.916 -8.375 1.00 0.00 C ATOM 0 H THR A 24 -4.002 6.493 -6.571 1.00 0.00 H new ATOM 0 HA THR A 24 -4.848 6.974 -9.107 1.00 0.00 H new ATOM 0 HB THR A 24 -2.456 6.224 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.307 5.537 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.409 8.072 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.998 8.572 -9.078 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.813 8.143 -7.361 1.00 0.00 H new ATOM 325 N ARG A 25 -3.794 3.947 -9.415 1.00 0.00 N ATOM 326 CA ARG A 25 -4.046 2.685 -10.089 1.00 0.00 C ATOM 327 C ARG A 25 -3.354 1.539 -9.348 1.00 0.00 C ATOM 328 O ARG A 25 -2.747 0.670 -9.972 1.00 0.00 O ATOM 329 CB ARG A 25 -3.547 2.725 -11.535 1.00 0.00 C ATOM 330 CG ARG A 25 -2.127 3.290 -11.609 1.00 0.00 C ATOM 331 CD ARG A 25 -1.815 3.805 -13.015 1.00 0.00 C ATOM 332 NE ARG A 25 -0.973 2.827 -13.739 1.00 0.00 N ATOM 333 CZ ARG A 25 -0.590 2.963 -15.015 1.00 0.00 C ATOM 334 NH1 ARG A 25 -0.972 4.038 -15.718 1.00 0.00 N ATOM 335 NH2 ARG A 25 0.175 2.025 -15.589 1.00 0.00 N ATOM 0 H ARG A 25 -2.865 4.032 -9.003 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.123 2.520 -10.093 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.565 1.720 -11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.218 3.337 -12.138 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.016 4.100 -10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.409 2.517 -11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.742 3.974 -13.563 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.301 4.764 -12.954 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.665 1.996 -13.234 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.554 4.752 -15.281 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.680 4.142 -16.690 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.466 1.207 -15.054 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.466 2.129 -16.561 1.00 0.00 H new ATOM 349 N ILE A 26 -3.468 1.576 -8.029 1.00 0.00 N ATOM 350 CA ILE A 26 -2.861 0.551 -7.198 1.00 0.00 C ATOM 351 C ILE A 26 -3.950 -0.148 -6.381 1.00 0.00 C ATOM 352 O ILE A 26 -4.088 -1.369 -6.441 1.00 0.00 O ATOM 353 CB ILE A 26 -1.740 1.148 -6.344 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.695 1.842 -7.220 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.115 0.086 -5.438 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.555 2.192 -6.409 1.00 0.00 C ATOM 0 H ILE A 26 -3.971 2.299 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.388 -0.211 -7.818 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.173 1.909 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.423 1.192 -8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.120 2.749 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.321 0.537 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.878 -0.322 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.699 -0.715 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.282 2.684 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.283 2.861 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.991 1.280 -6.001 1.00 0.00 H new ATOM 368 N ARG A 27 -4.694 0.655 -5.634 1.00 0.00 N ATOM 369 CA ARG A 27 -5.765 0.129 -4.806 1.00 0.00 C ATOM 370 C ARG A 27 -6.847 -0.509 -5.680 1.00 0.00 C ATOM 371 O ARG A 27 -7.268 -1.636 -5.429 1.00 0.00 O ATOM 372 CB ARG A 27 -6.394 1.232 -3.952 1.00 0.00 C ATOM 373 CG ARG A 27 -7.916 1.091 -3.908 1.00 0.00 C ATOM 374 CD ARG A 27 -8.541 2.167 -3.018 1.00 0.00 C ATOM 375 NE ARG A 27 -9.774 1.648 -2.386 1.00 0.00 N ATOM 376 CZ ARG A 27 -10.423 2.264 -1.387 1.00 0.00 C ATOM 377 NH1 ARG A 27 -9.960 3.424 -0.903 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.535 1.719 -0.874 1.00 0.00 N ATOM 0 H ARG A 27 -4.576 1.667 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.334 -0.624 -4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.992 1.187 -2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.127 2.208 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.321 1.168 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.183 0.103 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.830 2.473 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.771 3.052 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.154 0.767 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.114 3.839 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.453 3.893 -0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.887 0.836 -1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.029 2.187 -0.114 1.00 0.00 H new ATOM 392 N PRO A 28 -7.277 0.262 -6.716 1.00 0.00 N ATOM 393 CA PRO A 28 -8.301 -0.216 -7.628 1.00 0.00 C ATOM 394 C PRO A 28 -7.733 -1.258 -8.594 1.00 0.00 C ATOM 395 O PRO A 28 -8.453 -1.781 -9.444 1.00 0.00 O ATOM 396 CB PRO A 28 -8.812 1.030 -8.333 1.00 0.00 C ATOM 397 CG PRO A 28 -7.743 2.091 -8.131 1.00 0.00 C ATOM 398 CD PRO A 28 -6.800 1.602 -7.044 1.00 0.00 C ATOM 0 HA PRO A 28 -9.114 -0.730 -7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.977 0.839 -9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.766 1.352 -7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.198 2.265 -9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.196 3.040 -7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.768 1.580 -7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.827 2.256 -6.173 1.00 0.00 H new ATOM 406 N THR A 29 -6.447 -1.529 -8.431 1.00 0.00 N ATOM 407 CA THR A 29 -5.773 -2.500 -9.278 1.00 0.00 C ATOM 408 C THR A 29 -5.702 -3.859 -8.579 1.00 0.00 C ATOM 409 O THR A 29 -6.082 -4.878 -9.154 1.00 0.00 O ATOM 410 CB THR A 29 -4.401 -1.934 -9.647 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.669 -1.055 -10.737 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.471 -2.993 -10.242 1.00 0.00 C ATOM 0 H THR A 29 -5.853 -1.094 -7.725 1.00 0.00 H new ATOM 0 HA THR A 29 -6.328 -2.673 -10.200 1.00 0.00 H new ATOM 0 HB THR A 29 -3.937 -1.501 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.951 -0.392 -10.807 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.511 -2.538 -10.486 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.320 -3.793 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.919 -3.403 -11.147 1.00 0.00 H new ATOM 420 N VAL A 30 -5.212 -3.831 -7.348 1.00 0.00 N ATOM 421 CA VAL A 30 -5.086 -5.048 -6.565 1.00 0.00 C ATOM 422 C VAL A 30 -6.480 -5.558 -6.195 1.00 0.00 C ATOM 423 O VAL A 30 -6.712 -6.765 -6.153 1.00 0.00 O ATOM 424 CB VAL A 30 -4.200 -4.794 -5.343 1.00 0.00 C ATOM 425 CG1 VAL A 30 -2.736 -4.620 -5.755 1.00 0.00 C ATOM 426 CG2 VAL A 30 -4.695 -3.584 -4.549 1.00 0.00 C ATOM 0 H VAL A 30 -4.898 -2.984 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.598 -5.829 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.264 -5.668 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.127 -4.441 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.389 -5.524 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.647 -3.772 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.048 -3.426 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.675 -2.699 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.715 -3.764 -4.209 1.00 0.00 H new ATOM 436 N GLN A 31 -7.372 -4.614 -5.939 1.00 0.00 N ATOM 437 CA GLN A 31 -8.738 -4.953 -5.575 1.00 0.00 C ATOM 438 C GLN A 31 -9.412 -5.729 -6.708 1.00 0.00 C ATOM 439 O GLN A 31 -10.415 -6.407 -6.490 1.00 0.00 O ATOM 440 CB GLN A 31 -9.539 -3.698 -5.219 1.00 0.00 C ATOM 441 CG GLN A 31 -10.084 -3.020 -6.477 1.00 0.00 C ATOM 442 CD GLN A 31 -10.995 -1.846 -6.116 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.415 -1.678 -4.982 1.00 0.00 O ATOM 444 NE2 GLN A 31 -11.277 -1.044 -7.139 1.00 0.00 N ATOM 0 H GLN A 31 -7.176 -3.614 -5.976 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.710 -5.589 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.364 -3.964 -4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.905 -3.001 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.256 -2.667 -7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.638 -3.745 -7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.893 -1.242 -8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.878 -0.231 -7.000 1.00 0.00 H new ATOM 453 N GLU A 32 -8.834 -5.605 -7.893 1.00 0.00 N ATOM 454 CA GLU A 32 -9.365 -6.287 -9.061 1.00 0.00 C ATOM 455 C GLU A 32 -9.062 -7.785 -8.984 1.00 0.00 C ATOM 456 O GLU A 32 -9.475 -8.551 -9.855 1.00 0.00 O ATOM 457 CB GLU A 32 -8.810 -5.680 -10.350 1.00 0.00 C ATOM 458 CG GLU A 32 -9.935 -5.099 -11.211 1.00 0.00 C ATOM 459 CD GLU A 32 -9.543 -5.088 -12.690 1.00 0.00 C ATOM 460 OE1 GLU A 32 -9.317 -6.196 -13.224 1.00 0.00 O ATOM 461 OE2 GLU A 32 -9.479 -3.974 -13.253 1.00 0.00 O ATOM 0 H GLU A 32 -8.002 -5.042 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.447 -6.156 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.091 -4.897 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.273 -6.443 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.842 -5.688 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.162 -4.084 -10.883 1.00 0.00 H new ATOM 468 N ASP A 33 -8.343 -8.158 -7.937 1.00 0.00 N ATOM 469 CA ASP A 33 -7.980 -9.550 -7.736 1.00 0.00 C ATOM 470 C ASP A 33 -8.978 -10.200 -6.776 1.00 0.00 C ATOM 471 O ASP A 33 -9.566 -11.233 -7.092 1.00 0.00 O ATOM 472 CB ASP A 33 -6.584 -9.672 -7.119 1.00 0.00 C ATOM 473 CG ASP A 33 -6.115 -11.105 -6.859 1.00 0.00 C ATOM 474 OD1 ASP A 33 -6.970 -11.913 -6.435 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.913 -11.359 -7.087 1.00 0.00 O ATOM 0 H ASP A 33 -8.002 -7.520 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.990 -10.044 -8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.867 -9.185 -7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.571 -9.125 -6.176 1.00 0.00 H new ATOM 480 N GLY A 34 -9.139 -9.568 -5.623 1.00 0.00 N ATOM 481 CA GLY A 34 -10.057 -10.071 -4.614 1.00 0.00 C ATOM 482 C GLY A 34 -10.152 -9.109 -3.430 1.00 0.00 C ATOM 483 O GLY A 34 -11.156 -8.417 -3.266 1.00 0.00 O ATOM 0 H GLY A 34 -8.649 -8.712 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.045 -10.211 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.721 -11.048 -4.267 1.00 0.00 H new ATOM 487 N GLY A 35 -9.092 -9.094 -2.634 1.00 0.00 N ATOM 488 CA GLY A 35 -9.045 -8.227 -1.469 1.00 0.00 C ATOM 489 C GLY A 35 -8.973 -6.755 -1.883 1.00 0.00 C ATOM 490 O GLY A 35 -9.633 -6.342 -2.835 1.00 0.00 O ATOM 0 H GLY A 35 -8.260 -9.668 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.929 -8.392 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.178 -8.479 -0.858 1.00 0.00 H new ATOM 494 N ASP A 36 -8.166 -6.006 -1.146 1.00 0.00 N ATOM 495 CA ASP A 36 -7.998 -4.590 -1.425 1.00 0.00 C ATOM 496 C ASP A 36 -6.870 -4.032 -0.556 1.00 0.00 C ATOM 497 O ASP A 36 -6.662 -4.492 0.566 1.00 0.00 O ATOM 498 CB ASP A 36 -9.274 -3.810 -1.099 1.00 0.00 C ATOM 499 CG ASP A 36 -9.107 -2.291 -1.044 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.247 -1.786 -1.797 1.00 0.00 O ATOM 501 OD2 ASP A 36 -9.844 -1.668 -0.249 1.00 0.00 O ATOM 0 H ASP A 36 -7.622 -6.353 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.767 -4.481 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.030 -4.050 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.656 -4.153 -0.138 1.00 0.00 H new ATOM 506 N VAL A 37 -6.170 -3.051 -1.107 1.00 0.00 N ATOM 507 CA VAL A 37 -5.067 -2.428 -0.396 1.00 0.00 C ATOM 508 C VAL A 37 -5.576 -1.179 0.328 1.00 0.00 C ATOM 509 O VAL A 37 -6.132 -0.277 -0.296 1.00 0.00 O ATOM 510 CB VAL A 37 -3.921 -2.131 -1.365 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.025 -0.708 -1.918 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.565 -2.362 -0.696 1.00 0.00 C ATOM 0 H VAL A 37 -6.346 -2.672 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.668 -3.104 0.360 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.003 -2.822 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.198 -0.523 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.970 -0.592 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.981 0.006 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.767 -2.144 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.470 -1.706 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.490 -3.401 -0.374 1.00 0.00 H new ATOM 522 N ILE A 38 -5.365 -1.166 1.637 1.00 0.00 N ATOM 523 CA ILE A 38 -5.795 -0.045 2.453 1.00 0.00 C ATOM 524 C ILE A 38 -4.607 0.472 3.268 1.00 0.00 C ATOM 525 O ILE A 38 -4.170 -0.180 4.215 1.00 0.00 O ATOM 526 CB ILE A 38 -7.004 -0.433 3.307 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.952 -1.349 2.529 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.719 0.808 3.843 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.567 -2.818 2.710 1.00 0.00 C ATOM 0 H ILE A 38 -4.902 -1.915 2.152 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.132 0.777 1.822 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.646 -0.995 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.975 -1.193 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.926 -1.090 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.574 0.503 4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.030 1.388 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.063 1.419 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.257 -3.447 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.552 -2.976 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.618 -3.080 3.767 1.00 0.00 H new ATOM 541 N TYR A 39 -4.120 1.638 2.871 1.00 0.00 N ATOM 542 CA TYR A 39 -2.991 2.249 3.553 1.00 0.00 C ATOM 543 C TYR A 39 -3.421 2.852 4.891 1.00 0.00 C ATOM 544 O TYR A 39 -4.024 3.924 4.928 1.00 0.00 O ATOM 545 CB TYR A 39 -2.500 3.369 2.635 1.00 0.00 C ATOM 546 CG TYR A 39 -1.780 4.503 3.367 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.084 4.241 4.530 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.826 5.787 2.866 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.406 5.309 5.220 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.149 6.855 3.556 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.472 6.563 4.698 1.00 0.00 C ATOM 552 OH TYR A 39 0.168 7.570 5.350 1.00 0.00 O ATOM 0 H TYR A 39 -4.486 2.176 2.086 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.218 1.508 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.826 2.945 1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.352 3.782 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.048 3.236 4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.370 5.992 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.142 5.118 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.179 7.865 3.175 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.092 7.565 6.295 1.00 0.00 H new ATOM 562 N ARG A 40 -3.094 2.140 5.958 1.00 0.00 N ATOM 563 CA ARG A 40 -3.439 2.592 7.295 1.00 0.00 C ATOM 564 C ARG A 40 -2.205 2.563 8.201 1.00 0.00 C ATOM 565 O ARG A 40 -1.910 1.542 8.820 1.00 0.00 O ATOM 566 CB ARG A 40 -4.533 1.716 7.908 1.00 0.00 C ATOM 567 CG ARG A 40 -5.631 1.415 6.886 1.00 0.00 C ATOM 568 CD ARG A 40 -6.640 2.564 6.809 1.00 0.00 C ATOM 569 NE ARG A 40 -8.013 2.044 6.994 1.00 0.00 N ATOM 570 CZ ARG A 40 -9.046 2.786 7.412 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.868 4.085 7.694 1.00 0.00 N ATOM 572 NH2 ARG A 40 -10.258 2.231 7.552 1.00 0.00 N ATOM 0 H ARG A 40 -2.593 1.252 5.924 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.810 3.614 7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.099 0.783 8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.965 2.219 8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.185 1.252 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.144 0.493 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.417 3.307 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.559 3.066 5.845 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.183 1.059 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.946 4.508 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.655 4.650 8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.394 1.243 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.044 2.797 7.871 1.00 0.00 H new ATOM 586 N GLY A 41 -1.519 3.695 8.249 1.00 0.00 N ATOM 587 CA GLY A 41 -0.324 3.811 9.067 1.00 0.00 C ATOM 588 C GLY A 41 0.919 4.010 8.198 1.00 0.00 C ATOM 589 O GLY A 41 1.047 3.394 7.140 1.00 0.00 O ATOM 0 H GLY A 41 -1.768 4.540 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.430 4.650 9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.207 2.914 9.675 1.00 0.00 H new ATOM 593 N PHE A 42 1.804 4.872 8.676 1.00 0.00 N ATOM 594 CA PHE A 42 3.033 5.161 7.956 1.00 0.00 C ATOM 595 C PHE A 42 4.202 5.354 8.922 1.00 0.00 C ATOM 596 O PHE A 42 4.278 6.367 9.617 1.00 0.00 O ATOM 597 CB PHE A 42 2.804 6.461 7.183 1.00 0.00 C ATOM 598 CG PHE A 42 3.910 6.790 6.178 1.00 0.00 C ATOM 599 CD1 PHE A 42 3.857 6.281 4.917 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.945 7.591 6.544 1.00 0.00 C ATOM 601 CE1 PHE A 42 4.883 6.585 3.984 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.972 7.897 5.612 1.00 0.00 C ATOM 603 CZ PHE A 42 5.919 7.388 4.351 1.00 0.00 C ATOM 0 H PHE A 42 1.695 5.380 9.554 1.00 0.00 H new ATOM 0 HA PHE A 42 3.279 4.332 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.854 6.394 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.716 7.283 7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.034 5.645 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.987 7.995 7.545 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.842 6.179 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.794 8.533 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.699 7.621 3.641 1.00 0.00 H new ATOM 613 N GLU A 43 5.086 4.367 8.936 1.00 0.00 N ATOM 614 CA GLU A 43 6.250 4.417 9.807 1.00 0.00 C ATOM 615 C GLU A 43 7.436 5.042 9.072 1.00 0.00 C ATOM 616 O GLU A 43 8.192 4.344 8.397 1.00 0.00 O ATOM 617 CB GLU A 43 6.601 3.023 10.330 1.00 0.00 C ATOM 618 CG GLU A 43 6.554 2.984 11.859 1.00 0.00 C ATOM 619 CD GLU A 43 7.205 1.706 12.395 1.00 0.00 C ATOM 620 OE1 GLU A 43 8.453 1.692 12.467 1.00 0.00 O ATOM 621 OE2 GLU A 43 6.439 0.774 12.721 1.00 0.00 O ATOM 0 H GLU A 43 5.020 3.528 8.359 1.00 0.00 H new ATOM 0 HA GLU A 43 6.011 5.043 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.904 2.291 9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.596 2.741 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.067 3.856 12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.519 3.038 12.196 1.00 0.00 H new ATOM 628 N ASP A 44 7.565 6.352 9.227 1.00 0.00 N ATOM 629 CA ASP A 44 8.647 7.079 8.588 1.00 0.00 C ATOM 630 C ASP A 44 9.040 6.365 7.293 1.00 0.00 C ATOM 631 O ASP A 44 10.225 6.173 7.021 1.00 0.00 O ATOM 632 CB ASP A 44 9.882 7.138 9.489 1.00 0.00 C ATOM 633 CG ASP A 44 10.984 8.088 9.017 1.00 0.00 C ATOM 634 OD1 ASP A 44 10.620 9.161 8.492 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.165 7.719 9.192 1.00 0.00 O ATOM 0 H ASP A 44 6.937 6.928 9.787 1.00 0.00 H new ATOM 0 HA ASP A 44 8.299 8.093 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.569 7.438 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.300 6.135 9.573 1.00 0.00 H new ATOM 640 N GLY A 45 8.024 5.992 6.529 1.00 0.00 N ATOM 641 CA GLY A 45 8.249 5.302 5.270 1.00 0.00 C ATOM 642 C GLY A 45 7.397 4.035 5.178 1.00 0.00 C ATOM 643 O GLY A 45 6.468 3.963 4.376 1.00 0.00 O ATOM 0 H GLY A 45 7.043 6.154 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.010 5.966 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.304 5.043 5.177 1.00 0.00 H new ATOM 647 N ILE A 46 7.745 3.065 6.012 1.00 0.00 N ATOM 648 CA ILE A 46 7.024 1.803 6.036 1.00 0.00 C ATOM 649 C ILE A 46 5.521 2.080 5.979 1.00 0.00 C ATOM 650 O ILE A 46 4.908 2.406 6.995 1.00 0.00 O ATOM 651 CB ILE A 46 7.451 0.965 7.242 1.00 0.00 C ATOM 652 CG1 ILE A 46 8.938 0.611 7.165 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.572 -0.279 7.383 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.204 -0.401 6.049 1.00 0.00 C ATOM 0 H ILE A 46 8.517 3.128 6.676 1.00 0.00 H new ATOM 0 HA ILE A 46 7.272 1.205 5.159 1.00 0.00 H new ATOM 0 HB ILE A 46 7.309 1.563 8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.522 1.514 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.268 0.200 8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.896 -0.858 8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.533 0.023 7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.659 -0.890 6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.268 -0.635 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.638 -1.312 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.896 0.022 5.093 1.00 0.00 H new ATOM 666 N VAL A 47 4.970 1.939 4.783 1.00 0.00 N ATOM 667 CA VAL A 47 3.550 2.169 4.582 1.00 0.00 C ATOM 668 C VAL A 47 2.770 0.923 5.005 1.00 0.00 C ATOM 669 O VAL A 47 3.056 -0.180 4.541 1.00 0.00 O ATOM 670 CB VAL A 47 3.286 2.575 3.130 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.792 2.796 2.885 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.093 3.818 2.753 1.00 0.00 C ATOM 0 H VAL A 47 5.481 1.668 3.943 1.00 0.00 H new ATOM 0 HA VAL A 47 3.206 2.995 5.205 1.00 0.00 H new ATOM 0 HB VAL A 47 3.613 1.756 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.632 3.084 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.249 1.874 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.429 3.588 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.887 4.085 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.811 4.646 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.157 3.610 2.870 1.00 0.00 H new ATOM 682 N ARG A 48 1.800 1.139 5.882 1.00 0.00 N ATOM 683 CA ARG A 48 0.978 0.047 6.373 1.00 0.00 C ATOM 684 C ARG A 48 -0.235 -0.155 5.462 1.00 0.00 C ATOM 685 O ARG A 48 -1.151 0.664 5.451 1.00 0.00 O ATOM 686 CB ARG A 48 0.496 0.319 7.799 1.00 0.00 C ATOM 687 CG ARG A 48 1.527 -0.156 8.825 1.00 0.00 C ATOM 688 CD ARG A 48 0.974 -0.046 10.248 1.00 0.00 C ATOM 689 NE ARG A 48 1.900 0.741 11.092 1.00 0.00 N ATOM 690 CZ ARG A 48 2.955 0.221 11.736 1.00 0.00 C ATOM 691 NH1 ARG A 48 3.224 -1.088 11.635 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.742 1.012 12.479 1.00 0.00 N ATOM 0 H ARG A 48 1.565 2.055 6.265 1.00 0.00 H new ATOM 0 HA ARG A 48 1.590 -0.855 6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.314 1.386 7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.453 -0.189 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.803 -1.190 8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.435 0.440 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.007 0.429 10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.839 -1.041 10.672 1.00 0.00 H new ATOM 0 HE ARG A 48 1.725 1.741 11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.626 -1.689 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.027 -1.483 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.538 2.009 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.545 0.617 12.969 1.00 0.00 H new ATOM 706 N LEU A 49 -0.201 -1.253 4.720 1.00 0.00 N ATOM 707 CA LEU A 49 -1.286 -1.574 3.809 1.00 0.00 C ATOM 708 C LEU A 49 -2.006 -2.830 4.301 1.00 0.00 C ATOM 709 O LEU A 49 -1.381 -3.730 4.861 1.00 0.00 O ATOM 710 CB LEU A 49 -0.764 -1.687 2.374 1.00 0.00 C ATOM 711 CG LEU A 49 0.004 -0.475 1.842 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.911 0.746 1.725 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.236 -0.187 2.702 1.00 0.00 C ATOM 0 H LEU A 49 0.561 -1.931 4.732 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.022 -0.770 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.114 -2.560 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.611 -1.874 1.714 1.00 0.00 H new ATOM 0 HG LEU A 49 0.359 -0.709 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.340 1.593 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.729 0.523 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.316 0.993 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.764 0.679 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.925 0.018 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.898 -1.053 2.691 1.00 0.00 H new ATOM 725 N LYS A 50 -3.312 -2.852 4.076 1.00 0.00 N ATOM 726 CA LYS A 50 -4.124 -3.983 4.490 1.00 0.00 C ATOM 727 C LYS A 50 -4.432 -4.857 3.274 1.00 0.00 C ATOM 728 O LYS A 50 -5.582 -4.948 2.845 1.00 0.00 O ATOM 729 CB LYS A 50 -5.372 -3.503 5.235 1.00 0.00 C ATOM 730 CG LYS A 50 -6.252 -4.684 5.648 1.00 0.00 C ATOM 731 CD LYS A 50 -7.415 -4.220 6.526 1.00 0.00 C ATOM 732 CE LYS A 50 -6.922 -3.307 7.651 1.00 0.00 C ATOM 733 NZ LYS A 50 -7.787 -3.443 8.846 1.00 0.00 N ATOM 0 H LYS A 50 -3.828 -2.104 3.612 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.577 -4.605 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.077 -2.938 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.942 -2.825 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.639 -5.182 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.653 -5.417 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.147 -3.690 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.922 -5.086 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.894 -3.560 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.920 -2.271 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.439 -2.817 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.763 -3.179 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.768 -4.428 9.178 1.00 0.00 H new ATOM 747 N LEU A 51 -3.385 -5.478 2.750 1.00 0.00 N ATOM 748 CA LEU A 51 -3.529 -6.341 1.590 1.00 0.00 C ATOM 749 C LEU A 51 -3.921 -7.746 2.051 1.00 0.00 C ATOM 750 O LEU A 51 -3.453 -8.216 3.088 1.00 0.00 O ATOM 751 CB LEU A 51 -2.261 -6.305 0.735 1.00 0.00 C ATOM 752 CG LEU A 51 -1.973 -7.562 -0.090 1.00 0.00 C ATOM 753 CD1 LEU A 51 -3.008 -7.738 -1.203 1.00 0.00 C ATOM 754 CD2 LEU A 51 -0.543 -7.544 -0.634 1.00 0.00 C ATOM 0 H LEU A 51 -2.433 -5.400 3.108 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.331 -5.982 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.329 -5.456 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.410 -6.121 1.390 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.057 -8.428 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.779 -8.638 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.002 -7.829 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.981 -6.873 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.364 -8.448 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.407 -6.669 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.162 -7.502 0.196 1.00 0.00 H new ATOM 766 N GLN A 52 -4.775 -8.378 1.260 1.00 0.00 N ATOM 767 CA GLN A 52 -5.234 -9.720 1.575 1.00 0.00 C ATOM 768 C GLN A 52 -5.725 -10.424 0.308 1.00 0.00 C ATOM 769 O GLN A 52 -6.565 -9.892 -0.417 1.00 0.00 O ATOM 770 CB GLN A 52 -6.330 -9.688 2.643 1.00 0.00 C ATOM 771 CG GLN A 52 -5.958 -10.573 3.835 1.00 0.00 C ATOM 772 CD GLN A 52 -7.166 -11.380 4.316 1.00 0.00 C ATOM 773 OE1 GLN A 52 -8.304 -10.944 4.246 1.00 0.00 O ATOM 774 NE2 GLN A 52 -6.857 -12.577 4.806 1.00 0.00 N ATOM 0 H GLN A 52 -5.161 -7.986 0.401 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.394 -10.285 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.485 -8.663 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.272 -10.028 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.153 -11.251 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.582 -9.954 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.884 -12.880 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.593 -13.192 5.152 1.00 0.00 H new ATOM 783 N GLY A 53 -5.179 -11.609 0.079 1.00 0.00 N ATOM 784 CA GLY A 53 -5.551 -12.391 -1.088 1.00 0.00 C ATOM 785 C GLY A 53 -4.658 -12.051 -2.283 1.00 0.00 C ATOM 786 O GLY A 53 -5.154 -11.706 -3.354 1.00 0.00 O ATOM 0 H GLY A 53 -4.482 -12.047 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.470 -13.454 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.593 -12.199 -1.342 1.00 0.00 H new ATOM 790 N SER A 54 -3.357 -12.161 -2.059 1.00 0.00 N ATOM 791 CA SER A 54 -2.390 -11.870 -3.103 1.00 0.00 C ATOM 792 C SER A 54 -2.014 -13.156 -3.843 1.00 0.00 C ATOM 793 O SER A 54 -1.929 -13.168 -5.070 1.00 0.00 O ATOM 794 CB SER A 54 -1.139 -11.204 -2.527 1.00 0.00 C ATOM 795 OG SER A 54 -0.229 -10.802 -3.547 1.00 0.00 O ATOM 0 H SER A 54 -2.950 -12.448 -1.169 1.00 0.00 H new ATOM 0 HA SER A 54 -2.847 -11.174 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.430 -10.334 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.640 -11.896 -1.848 1.00 0.00 H new ATOM 0 HG SER A 54 0.555 -10.380 -3.138 1.00 0.00 H new ATOM 801 N CYS A 55 -1.801 -14.206 -3.064 1.00 0.00 N ATOM 802 CA CYS A 55 -1.436 -15.495 -3.630 1.00 0.00 C ATOM 803 C CYS A 55 0.085 -15.538 -3.783 1.00 0.00 C ATOM 804 O CYS A 55 0.709 -14.532 -4.117 1.00 0.00 O ATOM 805 CB CYS A 55 -2.151 -15.752 -4.959 1.00 0.00 C ATOM 806 SG CYS A 55 -2.299 -17.552 -5.251 1.00 0.00 S ATOM 0 H CYS A 55 -1.874 -14.192 -2.047 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.756 -16.293 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.140 -15.295 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.598 -15.287 -5.775 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.909 -17.760 -6.380 1.00 0.00 H new ATOM 812 N THR A 56 0.639 -16.716 -3.531 1.00 0.00 N ATOM 813 CA THR A 56 2.077 -16.904 -3.637 1.00 0.00 C ATOM 814 C THR A 56 2.394 -18.050 -4.599 1.00 0.00 C ATOM 815 O THR A 56 3.538 -18.495 -4.683 1.00 0.00 O ATOM 816 CB THR A 56 2.629 -17.122 -2.227 1.00 0.00 C ATOM 817 OG1 THR A 56 4.032 -16.922 -2.370 1.00 0.00 O ATOM 818 CG2 THR A 56 2.506 -18.577 -1.769 1.00 0.00 C ATOM 0 H THR A 56 0.119 -17.549 -3.254 1.00 0.00 H new ATOM 0 HA THR A 56 2.563 -16.024 -4.059 1.00 0.00 H new ATOM 0 HB THR A 56 2.102 -16.475 -1.526 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.368 -17.476 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.912 -18.677 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.456 -18.870 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.062 -19.221 -2.450 1.00 0.00 H new ATOM 826 N SER A 57 1.362 -18.496 -5.300 1.00 0.00 N ATOM 827 CA SER A 57 1.518 -19.582 -6.252 1.00 0.00 C ATOM 828 C SER A 57 2.839 -19.430 -7.008 1.00 0.00 C ATOM 829 O SER A 57 3.599 -20.389 -7.136 1.00 0.00 O ATOM 830 CB SER A 57 0.345 -19.625 -7.235 1.00 0.00 C ATOM 831 OG SER A 57 -0.139 -20.950 -7.431 1.00 0.00 O ATOM 0 H SER A 57 0.415 -18.125 -5.228 1.00 0.00 H new ATOM 0 HA SER A 57 1.529 -20.522 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.463 -18.995 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.659 -19.208 -8.192 1.00 0.00 H new ATOM 0 HG SER A 57 -0.888 -20.935 -8.063 1.00 0.00 H new ATOM 837 N CYS A 58 3.072 -18.218 -7.492 1.00 0.00 N ATOM 838 CA CYS A 58 4.288 -17.928 -8.231 1.00 0.00 C ATOM 839 C CYS A 58 4.855 -16.601 -7.723 1.00 0.00 C ATOM 840 O CYS A 58 4.119 -15.629 -7.559 1.00 0.00 O ATOM 841 CB CYS A 58 4.038 -17.900 -9.741 1.00 0.00 C ATOM 842 SG CYS A 58 2.869 -19.229 -10.206 1.00 0.00 S ATOM 0 H CYS A 58 2.438 -17.426 -7.386 1.00 0.00 H new ATOM 0 HA CYS A 58 5.016 -18.721 -8.063 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.634 -16.931 -10.033 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.979 -18.028 -10.276 1.00 0.00 H new ATOM 0 HG CYS A 58 2.662 -19.195 -11.489 1.00 0.00 H new ATOM 848 N PRO A 59 6.193 -16.604 -7.479 1.00 0.00 N ATOM 849 CA PRO A 59 6.868 -15.414 -6.992 1.00 0.00 C ATOM 850 C PRO A 59 7.038 -14.383 -8.110 1.00 0.00 C ATOM 851 O PRO A 59 6.877 -13.185 -7.886 1.00 0.00 O ATOM 852 CB PRO A 59 8.192 -15.911 -6.436 1.00 0.00 C ATOM 853 CG PRO A 59 8.411 -17.284 -7.048 1.00 0.00 C ATOM 854 CD PRO A 59 7.096 -17.738 -7.661 1.00 0.00 C ATOM 0 HA PRO A 59 6.299 -14.894 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.004 -15.233 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.162 -15.969 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.192 -17.243 -7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.742 -17.992 -6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.215 -17.985 -8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.715 -18.631 -7.166 1.00 0.00 H new ATOM 862 N SER A 60 7.361 -14.889 -9.292 1.00 0.00 N ATOM 863 CA SER A 60 7.555 -14.028 -10.447 1.00 0.00 C ATOM 864 C SER A 60 6.514 -12.906 -10.444 1.00 0.00 C ATOM 865 O SER A 60 6.852 -11.743 -10.232 1.00 0.00 O ATOM 866 CB SER A 60 7.472 -14.826 -11.749 1.00 0.00 C ATOM 867 OG SER A 60 8.570 -14.552 -12.615 1.00 0.00 O ATOM 0 H SER A 60 7.493 -15.884 -9.475 1.00 0.00 H new ATOM 0 HA SER A 60 8.551 -13.591 -10.384 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.448 -15.891 -11.520 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.539 -14.589 -12.260 1.00 0.00 H new ATOM 0 HG SER A 60 8.481 -15.082 -13.434 1.00 0.00 H new ATOM 873 N SER A 61 5.271 -13.296 -10.681 1.00 0.00 N ATOM 874 CA SER A 61 4.179 -12.338 -10.708 1.00 0.00 C ATOM 875 C SER A 61 4.323 -11.347 -9.553 1.00 0.00 C ATOM 876 O SER A 61 4.093 -10.151 -9.723 1.00 0.00 O ATOM 877 CB SER A 61 2.823 -13.045 -10.635 1.00 0.00 C ATOM 878 OG SER A 61 1.881 -12.489 -11.548 1.00 0.00 O ATOM 0 H SER A 61 4.995 -14.262 -10.856 1.00 0.00 H new ATOM 0 HA SER A 61 4.225 -11.795 -11.652 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.955 -14.105 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.431 -12.973 -9.621 1.00 0.00 H new ATOM 0 HG SER A 61 1.030 -12.968 -11.472 1.00 0.00 H new ATOM 884 N ILE A 62 4.703 -11.881 -8.400 1.00 0.00 N ATOM 885 CA ILE A 62 4.880 -11.058 -7.217 1.00 0.00 C ATOM 886 C ILE A 62 6.059 -10.107 -7.434 1.00 0.00 C ATOM 887 O ILE A 62 5.907 -8.891 -7.326 1.00 0.00 O ATOM 888 CB ILE A 62 5.020 -11.936 -5.970 1.00 0.00 C ATOM 889 CG1 ILE A 62 3.660 -12.170 -5.310 1.00 0.00 C ATOM 890 CG2 ILE A 62 6.037 -11.342 -4.993 1.00 0.00 C ATOM 891 CD1 ILE A 62 3.822 -12.838 -3.943 1.00 0.00 C ATOM 0 H ILE A 62 4.893 -12.874 -8.261 1.00 0.00 H new ATOM 0 HA ILE A 62 3.998 -10.440 -7.047 1.00 0.00 H new ATOM 0 HB ILE A 62 5.401 -12.910 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.139 -11.219 -5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.042 -12.796 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.118 -11.985 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.009 -11.269 -5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.709 -10.349 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.840 -12.993 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.321 -13.799 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.420 -12.198 -3.294 1.00 0.00 H new ATOM 903 N ILE A 63 7.206 -10.696 -7.736 1.00 0.00 N ATOM 904 CA ILE A 63 8.410 -9.916 -7.970 1.00 0.00 C ATOM 905 C ILE A 63 8.190 -8.998 -9.174 1.00 0.00 C ATOM 906 O ILE A 63 8.969 -8.073 -9.402 1.00 0.00 O ATOM 907 CB ILE A 63 9.625 -10.835 -8.110 1.00 0.00 C ATOM 908 CG1 ILE A 63 9.830 -11.670 -6.844 1.00 0.00 C ATOM 909 CG2 ILE A 63 10.876 -10.037 -8.480 1.00 0.00 C ATOM 910 CD1 ILE A 63 10.534 -12.990 -7.166 1.00 0.00 C ATOM 0 H ILE A 63 7.328 -11.705 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 63 8.622 -9.275 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 63 9.435 -11.531 -8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.421 -11.105 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.866 -11.872 -6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.725 -10.714 -8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.714 -9.525 -9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.082 -9.302 -7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 63 10.667 -13.564 -6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.929 -13.563 -7.868 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.508 -12.784 -7.610 1.00 0.00 H new ATOM 922 N THR A 64 7.128 -9.284 -9.911 1.00 0.00 N ATOM 923 CA THR A 64 6.797 -8.495 -11.086 1.00 0.00 C ATOM 924 C THR A 64 5.821 -7.376 -10.719 1.00 0.00 C ATOM 925 O THR A 64 6.006 -6.229 -11.122 1.00 0.00 O ATOM 926 CB THR A 64 6.258 -9.445 -12.157 1.00 0.00 C ATOM 927 OG1 THR A 64 7.397 -10.203 -12.554 1.00 0.00 O ATOM 928 CG2 THR A 64 5.835 -8.712 -13.432 1.00 0.00 C ATOM 0 H THR A 64 6.485 -10.052 -9.718 1.00 0.00 H new ATOM 0 HA THR A 64 7.678 -7.996 -11.488 1.00 0.00 H new ATOM 0 HB THR A 64 5.407 -9.997 -11.757 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.550 -10.925 -11.909 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.460 -9.433 -14.159 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.050 -7.994 -13.195 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.693 -8.187 -13.851 1.00 0.00 H new ATOM 936 N LEU A 65 4.802 -7.749 -9.958 1.00 0.00 N ATOM 937 CA LEU A 65 3.797 -6.790 -9.532 1.00 0.00 C ATOM 938 C LEU A 65 4.172 -6.242 -8.154 1.00 0.00 C ATOM 939 O LEU A 65 4.473 -5.057 -8.014 1.00 0.00 O ATOM 940 CB LEU A 65 2.402 -7.418 -9.584 1.00 0.00 C ATOM 941 CG LEU A 65 1.630 -7.228 -10.891 1.00 0.00 C ATOM 942 CD1 LEU A 65 1.438 -5.744 -11.204 1.00 0.00 C ATOM 943 CD2 LEU A 65 2.309 -7.973 -12.042 1.00 0.00 C ATOM 0 H LEU A 65 4.651 -8.702 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 65 3.767 -5.942 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.499 -8.487 -9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.808 -7.003 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 65 0.638 -7.662 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.886 -5.638 -12.138 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.879 -5.271 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.412 -5.264 -11.301 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.740 -7.821 -12.959 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.321 -7.591 -12.176 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.350 -9.038 -11.812 1.00 0.00 H new ATOM 955 N LYS A 66 4.144 -7.129 -7.170 1.00 0.00 N ATOM 956 CA LYS A 66 4.478 -6.749 -5.809 1.00 0.00 C ATOM 957 C LYS A 66 5.668 -5.787 -5.830 1.00 0.00 C ATOM 958 O LYS A 66 5.539 -4.626 -5.444 1.00 0.00 O ATOM 959 CB LYS A 66 4.705 -7.991 -4.946 1.00 0.00 C ATOM 960 CG LYS A 66 3.879 -7.924 -3.659 1.00 0.00 C ATOM 961 CD LYS A 66 4.304 -9.018 -2.678 1.00 0.00 C ATOM 962 CE LYS A 66 5.693 -8.731 -2.104 1.00 0.00 C ATOM 963 NZ LYS A 66 5.703 -8.940 -0.639 1.00 0.00 N ATOM 0 H LYS A 66 3.895 -8.111 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 66 3.646 -6.217 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.435 -8.884 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.763 -8.078 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.002 -6.946 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.821 -8.034 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.579 -9.086 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.308 -9.983 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.429 -9.382 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.982 -7.705 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.653 -8.741 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.015 -8.301 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.448 -9.926 -0.427 1.00 0.00 H new ATOM 977 N SER A 67 6.799 -6.306 -6.285 1.00 0.00 N ATOM 978 CA SER A 67 8.011 -5.509 -6.360 1.00 0.00 C ATOM 979 C SER A 67 7.770 -4.272 -7.228 1.00 0.00 C ATOM 980 O SER A 67 8.101 -3.156 -6.830 1.00 0.00 O ATOM 981 CB SER A 67 9.176 -6.330 -6.918 1.00 0.00 C ATOM 982 OG SER A 67 10.219 -6.496 -5.961 1.00 0.00 O ATOM 0 H SER A 67 6.901 -7.269 -6.605 1.00 0.00 H new ATOM 0 HA SER A 67 8.275 -5.192 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.812 -7.309 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.574 -5.838 -7.806 1.00 0.00 H new ATOM 0 HG SER A 67 10.943 -7.027 -6.355 1.00 0.00 H new ATOM 988 N GLY A 68 7.195 -4.512 -8.397 1.00 0.00 N ATOM 989 CA GLY A 68 6.906 -3.432 -9.324 1.00 0.00 C ATOM 990 C GLY A 68 6.217 -2.266 -8.611 1.00 0.00 C ATOM 991 O GLY A 68 6.732 -1.149 -8.598 1.00 0.00 O ATOM 0 H GLY A 68 6.921 -5.439 -8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.831 -3.086 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.268 -3.799 -10.128 1.00 0.00 H new ATOM 995 N ILE A 69 5.062 -2.567 -8.034 1.00 0.00 N ATOM 996 CA ILE A 69 4.297 -1.559 -7.320 1.00 0.00 C ATOM 997 C ILE A 69 5.123 -1.038 -6.142 1.00 0.00 C ATOM 998 O ILE A 69 5.290 0.170 -5.984 1.00 0.00 O ATOM 999 CB ILE A 69 2.929 -2.111 -6.916 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.998 -2.210 -8.126 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.314 -1.282 -5.787 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.772 -3.670 -8.526 1.00 0.00 C ATOM 0 H ILE A 69 4.638 -3.495 -8.047 1.00 0.00 H new ATOM 0 HA ILE A 69 4.092 -0.707 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 69 3.069 -3.122 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.042 -1.741 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.426 -1.661 -8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.342 -1.696 -5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.971 -1.307 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.190 -0.251 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.107 -3.712 -9.388 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.727 -4.129 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.321 -4.210 -7.693 1.00 0.00 H new ATOM 1014 N GLN A 70 5.616 -1.975 -5.346 1.00 0.00 N ATOM 1015 CA GLN A 70 6.420 -1.626 -4.188 1.00 0.00 C ATOM 1016 C GLN A 70 7.508 -0.624 -4.579 1.00 0.00 C ATOM 1017 O GLN A 70 7.962 0.161 -3.748 1.00 0.00 O ATOM 1018 CB GLN A 70 7.028 -2.874 -3.545 1.00 0.00 C ATOM 1019 CG GLN A 70 6.022 -3.560 -2.620 1.00 0.00 C ATOM 1020 CD GLN A 70 6.726 -4.194 -1.417 1.00 0.00 C ATOM 1021 OE1 GLN A 70 7.662 -3.649 -0.856 1.00 0.00 O ATOM 1022 NE2 GLN A 70 6.225 -5.372 -1.057 1.00 0.00 N ATOM 0 H GLN A 70 5.474 -2.976 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 70 5.771 -1.157 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.346 -3.569 -4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.918 -2.599 -2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.287 -2.834 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.478 -4.326 -3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.440 -5.771 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.626 -5.877 -0.267 1.00 0.00 H new ATOM 1031 N ASN A 71 7.896 -0.686 -5.845 1.00 0.00 N ATOM 1032 CA ASN A 71 8.923 0.206 -6.356 1.00 0.00 C ATOM 1033 C ASN A 71 8.286 1.542 -6.745 1.00 0.00 C ATOM 1034 O ASN A 71 8.794 2.603 -6.386 1.00 0.00 O ATOM 1035 CB ASN A 71 9.591 -0.380 -7.602 1.00 0.00 C ATOM 1036 CG ASN A 71 11.085 -0.053 -7.630 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.920 -0.808 -7.163 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.372 1.113 -8.202 1.00 0.00 N ATOM 0 H ASN A 71 7.518 -1.339 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 71 9.671 0.341 -5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.452 -1.461 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.112 0.017 -8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.341 1.423 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.623 1.697 -8.573 1.00 0.00 H new ATOM 1045 N MET A 72 7.183 1.445 -7.472 1.00 0.00 N ATOM 1046 CA MET A 72 6.471 2.632 -7.912 1.00 0.00 C ATOM 1047 C MET A 72 6.298 3.627 -6.763 1.00 0.00 C ATOM 1048 O MET A 72 6.442 4.833 -6.953 1.00 0.00 O ATOM 1049 CB MET A 72 5.097 2.232 -8.454 1.00 0.00 C ATOM 1050 CG MET A 72 4.344 3.450 -8.992 1.00 0.00 C ATOM 1051 SD MET A 72 3.263 2.960 -10.325 1.00 0.00 S ATOM 1052 CE MET A 72 2.069 1.993 -9.416 1.00 0.00 C ATOM 0 H MET A 72 6.765 0.563 -7.767 1.00 0.00 H new ATOM 0 HA MET A 72 7.055 3.112 -8.697 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.216 1.494 -9.247 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.514 1.759 -7.664 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.763 3.911 -8.193 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.053 4.199 -9.344 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.839 1.083 -9.971 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.480 1.730 -8.441 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.157 2.575 -9.280 1.00 0.00 H new ATOM 1062 N LEU A 73 5.990 3.083 -5.594 1.00 0.00 N ATOM 1063 CA LEU A 73 5.795 3.907 -4.413 1.00 0.00 C ATOM 1064 C LEU A 73 7.077 4.691 -4.127 1.00 0.00 C ATOM 1065 O LEU A 73 7.081 5.920 -4.179 1.00 0.00 O ATOM 1066 CB LEU A 73 5.322 3.052 -3.236 1.00 0.00 C ATOM 1067 CG LEU A 73 3.907 3.337 -2.726 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.601 2.516 -1.472 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.698 4.834 -2.497 1.00 0.00 C ATOM 0 H LEU A 73 5.871 2.082 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 73 5.005 4.638 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.377 2.004 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.019 3.189 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 73 3.198 3.028 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.590 2.737 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.682 1.454 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.313 2.771 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.685 5.009 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.414 5.193 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.846 5.370 -3.435 1.00 0.00 H new ATOM 1081 N GLN A 74 8.134 3.950 -3.832 1.00 0.00 N ATOM 1082 CA GLN A 74 9.419 4.561 -3.537 1.00 0.00 C ATOM 1083 C GLN A 74 9.882 5.416 -4.718 1.00 0.00 C ATOM 1084 O GLN A 74 10.525 6.448 -4.527 1.00 0.00 O ATOM 1085 CB GLN A 74 10.463 3.499 -3.186 1.00 0.00 C ATOM 1086 CG GLN A 74 10.214 2.927 -1.790 1.00 0.00 C ATOM 1087 CD GLN A 74 10.271 1.397 -1.806 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.179 0.789 -2.350 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.253 0.812 -1.182 1.00 0.00 N ATOM 0 H GLN A 74 8.127 2.931 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 74 9.302 5.209 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.432 2.696 -3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.461 3.936 -3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.959 3.315 -1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.240 3.254 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.526 1.381 -0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.199 -0.206 -1.138 1.00 0.00 H new ATOM 1098 N PHE A 75 9.538 4.957 -5.912 1.00 0.00 N ATOM 1099 CA PHE A 75 9.911 5.666 -7.124 1.00 0.00 C ATOM 1100 C PHE A 75 9.325 7.080 -7.133 1.00 0.00 C ATOM 1101 O PHE A 75 10.055 8.057 -7.289 1.00 0.00 O ATOM 1102 CB PHE A 75 9.331 4.879 -8.301 1.00 0.00 C ATOM 1103 CG PHE A 75 9.128 5.712 -9.567 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.974 6.410 -9.745 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.102 5.756 -10.515 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.786 7.183 -10.921 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.914 6.530 -11.691 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.759 7.227 -11.869 1.00 0.00 C ATOM 0 H PHE A 75 9.004 4.102 -6.066 1.00 0.00 H new ATOM 0 HA PHE A 75 10.996 5.750 -7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.995 4.045 -8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.374 4.452 -8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.201 6.376 -8.992 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.018 5.202 -10.374 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.869 7.736 -11.062 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.688 6.565 -12.444 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.615 7.815 -12.763 1.00 0.00 H new ATOM 1118 N TYR A 76 8.013 7.143 -6.964 1.00 0.00 N ATOM 1119 CA TYR A 76 7.320 8.420 -6.951 1.00 0.00 C ATOM 1120 C TYR A 76 7.632 9.200 -5.672 1.00 0.00 C ATOM 1121 O TYR A 76 8.098 10.336 -5.731 1.00 0.00 O ATOM 1122 CB TYR A 76 5.827 8.091 -6.982 1.00 0.00 C ATOM 1123 CG TYR A 76 5.260 7.902 -8.391 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.304 8.941 -9.298 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.706 6.691 -8.755 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.770 8.762 -10.623 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.174 6.513 -10.081 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.232 7.558 -10.950 1.00 0.00 C ATOM 1129 OH TYR A 76 3.729 7.389 -12.202 1.00 0.00 O ATOM 0 H TYR A 76 7.411 6.330 -6.835 1.00 0.00 H new ATOM 0 HA TYR A 76 7.630 9.033 -7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.654 7.181 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.279 8.891 -6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.739 9.888 -9.014 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.672 5.878 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.797 9.568 -11.342 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.739 5.571 -10.379 1.00 0.00 H new ATOM 0 HH TYR A 76 3.379 6.478 -12.294 1.00 0.00 H new ATOM 1139 N ILE A 77 7.361 8.557 -4.545 1.00 0.00 N ATOM 1140 CA ILE A 77 7.607 9.176 -3.253 1.00 0.00 C ATOM 1141 C ILE A 77 8.852 8.551 -2.622 1.00 0.00 C ATOM 1142 O ILE A 77 8.898 7.343 -2.394 1.00 0.00 O ATOM 1143 CB ILE A 77 6.360 9.089 -2.371 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.173 9.794 -3.029 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.642 9.629 -0.968 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.873 9.495 -2.280 1.00 0.00 C ATOM 0 H ILE A 77 6.974 7.614 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 77 7.810 10.240 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 77 6.091 8.038 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.348 10.870 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.082 9.470 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.739 9.556 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.438 9.044 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.950 10.672 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.045 10.009 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.688 8.421 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.958 9.842 -1.250 1.00 0.00 H new ATOM 1158 N PRO A 78 9.859 9.424 -2.348 1.00 0.00 N ATOM 1159 CA PRO A 78 11.102 8.970 -1.747 1.00 0.00 C ATOM 1160 C PRO A 78 10.913 8.669 -0.259 1.00 0.00 C ATOM 1161 O PRO A 78 11.820 8.157 0.394 1.00 0.00 O ATOM 1162 CB PRO A 78 12.096 10.091 -2.006 1.00 0.00 C ATOM 1163 CG PRO A 78 11.263 11.320 -2.328 1.00 0.00 C ATOM 1164 CD PRO A 78 9.841 10.861 -2.604 1.00 0.00 C ATOM 0 HA PRO A 78 11.459 8.033 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.726 10.264 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.760 9.841 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.282 12.023 -1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.671 11.841 -3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.128 11.370 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.548 11.077 -3.631 1.00 0.00 H new ATOM 1172 N GLU A 79 9.728 9.000 0.233 1.00 0.00 N ATOM 1173 CA GLU A 79 9.408 8.772 1.632 1.00 0.00 C ATOM 1174 C GLU A 79 9.300 7.271 1.914 1.00 0.00 C ATOM 1175 O GLU A 79 10.180 6.690 2.546 1.00 0.00 O ATOM 1176 CB GLU A 79 8.120 9.497 2.025 1.00 0.00 C ATOM 1177 CG GLU A 79 8.105 10.925 1.474 1.00 0.00 C ATOM 1178 CD GLU A 79 8.118 11.952 2.608 1.00 0.00 C ATOM 1179 OE1 GLU A 79 7.574 11.617 3.682 1.00 0.00 O ATOM 1180 OE2 GLU A 79 8.672 13.047 2.374 1.00 0.00 O ATOM 0 H GLU A 79 8.978 9.424 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 79 10.216 9.179 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.259 8.948 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.029 9.521 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.971 11.079 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.218 11.071 0.857 1.00 0.00 H new ATOM 1187 N VAL A 80 8.213 6.688 1.429 1.00 0.00 N ATOM 1188 CA VAL A 80 7.979 5.267 1.621 1.00 0.00 C ATOM 1189 C VAL A 80 9.270 4.498 1.335 1.00 0.00 C ATOM 1190 O VAL A 80 10.018 4.850 0.425 1.00 0.00 O ATOM 1191 CB VAL A 80 6.805 4.808 0.753 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.797 5.542 -0.590 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.833 3.293 0.549 1.00 0.00 C ATOM 0 H VAL A 80 7.486 7.174 0.904 1.00 0.00 H new ATOM 0 HA VAL A 80 7.701 5.062 2.655 1.00 0.00 H new ATOM 0 HB VAL A 80 5.883 5.058 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.953 5.198 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.706 6.614 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.726 5.337 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.988 2.994 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.763 3.009 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.768 2.794 1.516 1.00 0.00 H new ATOM 1203 N GLU A 81 9.492 3.461 2.130 1.00 0.00 N ATOM 1204 CA GLU A 81 10.680 2.640 1.974 1.00 0.00 C ATOM 1205 C GLU A 81 10.290 1.170 1.800 1.00 0.00 C ATOM 1206 O GLU A 81 10.712 0.521 0.844 1.00 0.00 O ATOM 1207 CB GLU A 81 11.630 2.818 3.160 1.00 0.00 C ATOM 1208 CG GLU A 81 12.195 4.239 3.200 1.00 0.00 C ATOM 1209 CD GLU A 81 13.725 4.220 3.216 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.275 3.510 4.085 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.310 4.917 2.359 1.00 0.00 O ATOM 0 H GLU A 81 8.869 3.171 2.884 1.00 0.00 H new ATOM 0 HA GLU A 81 11.207 2.965 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.101 2.607 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.447 2.100 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.844 4.798 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.825 4.757 4.085 1.00 0.00 H new ATOM 1218 N GLY A 82 9.489 0.688 2.739 1.00 0.00 N ATOM 1219 CA GLY A 82 9.038 -0.692 2.702 1.00 0.00 C ATOM 1220 C GLY A 82 7.509 -0.769 2.697 1.00 0.00 C ATOM 1221 O GLY A 82 6.833 0.258 2.696 1.00 0.00 O ATOM 0 H GLY A 82 9.141 1.229 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.433 -1.184 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.430 -1.230 3.565 1.00 0.00 H new ATOM 1225 N VAL A 83 7.011 -1.997 2.694 1.00 0.00 N ATOM 1226 CA VAL A 83 5.575 -2.221 2.690 1.00 0.00 C ATOM 1227 C VAL A 83 5.236 -3.343 3.673 1.00 0.00 C ATOM 1228 O VAL A 83 5.977 -4.318 3.787 1.00 0.00 O ATOM 1229 CB VAL A 83 5.095 -2.509 1.266 1.00 0.00 C ATOM 1230 CG1 VAL A 83 3.570 -2.622 1.214 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.600 -1.442 0.291 1.00 0.00 C ATOM 0 H VAL A 83 7.576 -2.846 2.694 1.00 0.00 H new ATOM 0 HA VAL A 83 5.048 -1.327 3.022 1.00 0.00 H new ATOM 0 HB VAL A 83 5.512 -3.468 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.255 -2.827 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.243 -3.434 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.124 -1.686 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.245 -1.670 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.225 -0.465 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.690 -1.431 0.297 1.00 0.00 H new ATOM 1241 N GLU A 84 4.116 -3.167 4.358 1.00 0.00 N ATOM 1242 CA GLU A 84 3.668 -4.152 5.328 1.00 0.00 C ATOM 1243 C GLU A 84 2.176 -4.435 5.149 1.00 0.00 C ATOM 1244 O GLU A 84 1.397 -3.524 4.873 1.00 0.00 O ATOM 1245 CB GLU A 84 3.974 -3.694 6.756 1.00 0.00 C ATOM 1246 CG GLU A 84 4.527 -4.847 7.595 1.00 0.00 C ATOM 1247 CD GLU A 84 3.491 -5.963 7.746 1.00 0.00 C ATOM 1248 OE1 GLU A 84 2.474 -5.705 8.425 1.00 0.00 O ATOM 1249 OE2 GLU A 84 3.740 -7.049 7.179 1.00 0.00 O ATOM 0 H GLU A 84 3.505 -2.356 4.261 1.00 0.00 H new ATOM 0 HA GLU A 84 4.215 -5.079 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.696 -2.878 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.067 -3.305 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.428 -5.243 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.816 -4.479 8.579 1.00 0.00 H new ATOM 1256 N GLN A 85 1.821 -5.700 5.315 1.00 0.00 N ATOM 1257 CA GLN A 85 0.435 -6.114 5.175 1.00 0.00 C ATOM 1258 C GLN A 85 -0.268 -6.081 6.533 1.00 0.00 C ATOM 1259 O GLN A 85 -0.455 -7.120 7.165 1.00 0.00 O ATOM 1260 CB GLN A 85 0.338 -7.503 4.540 1.00 0.00 C ATOM 1261 CG GLN A 85 -1.119 -7.955 4.431 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.462 -8.970 5.524 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.615 -9.692 6.024 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.747 -8.984 5.865 1.00 0.00 N ATOM 0 H GLN A 85 2.469 -6.453 5.545 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.068 -5.412 4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.792 -7.486 3.549 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.901 -8.220 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.779 -7.091 4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.294 -8.398 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.403 -8.352 5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.076 -9.626 6.586 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.638 -4.876 6.944 1.00 0.00 N ATOM 1274 CA VAL A 86 -1.316 -4.695 8.215 1.00 0.00 C ATOM 1275 C VAL A 86 -2.553 -5.595 8.262 1.00 0.00 C ATOM 1276 O VAL A 86 -3.580 -5.274 7.665 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.644 -3.215 8.426 1.00 0.00 C ATOM 1278 CG1 VAL A 86 -0.402 -2.435 8.862 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.262 -2.605 7.166 1.00 0.00 C ATOM 0 H VAL A 86 -0.481 -4.016 6.418 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.668 -4.992 9.040 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.380 -3.146 9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.663 -1.386 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.024 -2.846 9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.367 -2.516 8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.485 -1.553 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.559 -2.692 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.182 -3.135 6.919 1.00 0.00 H new ATOM 1289 N SER A 87 -2.414 -6.701 8.977 1.00 0.00 N ATOM 1290 CA SER A 87 -3.507 -7.648 9.109 1.00 0.00 C ATOM 1291 C SER A 87 -4.327 -7.331 10.361 1.00 0.00 C ATOM 1292 O SER A 87 -3.853 -6.635 11.258 1.00 0.00 O ATOM 1293 CB SER A 87 -2.987 -9.086 9.166 1.00 0.00 C ATOM 1294 OG SER A 87 -3.991 -10.032 8.810 1.00 0.00 O ATOM 0 H SER A 87 -1.561 -6.963 9.471 1.00 0.00 H new ATOM 0 HA SER A 87 -4.146 -7.556 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.136 -9.190 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.627 -9.301 10.172 1.00 0.00 H new ATOM 0 HG SER A 87 -3.619 -10.937 8.857 1.00 0.00 H new ATOM 1300 N GLY A 88 -5.543 -7.856 10.384 1.00 0.00 N ATOM 1301 CA GLY A 88 -6.432 -7.637 11.511 1.00 0.00 C ATOM 1302 C GLY A 88 -6.779 -8.959 12.201 1.00 0.00 C ATOM 1303 O GLY A 88 -6.036 -9.933 12.093 1.00 0.00 O ATOM 0 H GLY A 88 -5.933 -8.433 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.960 -6.963 12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.345 -7.150 11.169 1.00 0.00 H new ATOM 1307 N PRO A 89 -7.938 -8.949 12.912 1.00 0.00 N ATOM 1308 CA PRO A 89 -8.392 -10.135 13.619 1.00 0.00 C ATOM 1309 C PRO A 89 -8.959 -11.170 12.645 1.00 0.00 C ATOM 1310 O PRO A 89 -8.598 -12.345 12.704 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.424 -9.629 14.614 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.848 -8.257 14.113 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.844 -7.814 13.062 1.00 0.00 C ATOM 0 HA PRO A 89 -7.583 -10.654 14.133 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.277 -10.305 14.670 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.001 -9.565 15.617 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.851 -8.299 13.689 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.879 -7.543 14.936 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.337 -7.574 12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -8.308 -6.919 13.379 1.00 0.00 H new ATOM 1321 N SER A 90 -9.836 -10.697 11.772 1.00 0.00 N ATOM 1322 CA SER A 90 -10.456 -11.567 10.787 1.00 0.00 C ATOM 1323 C SER A 90 -11.298 -10.740 9.814 1.00 0.00 C ATOM 1324 O SER A 90 -12.149 -9.958 10.234 1.00 0.00 O ATOM 1325 CB SER A 90 -11.320 -12.635 11.461 1.00 0.00 C ATOM 1326 OG SER A 90 -11.003 -13.946 11.002 1.00 0.00 O ATOM 0 H SER A 90 -10.132 -9.722 11.726 1.00 0.00 H new ATOM 0 HA SER A 90 -9.666 -12.074 10.233 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.181 -12.585 12.541 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.372 -12.427 11.265 1.00 0.00 H new ATOM 0 HG SER A 90 -11.575 -14.599 11.457 1.00 0.00 H new ATOM 1332 N SER A 91 -11.030 -10.941 8.532 1.00 0.00 N ATOM 1333 CA SER A 91 -11.751 -10.223 7.495 1.00 0.00 C ATOM 1334 C SER A 91 -12.103 -11.173 6.349 1.00 0.00 C ATOM 1335 O SER A 91 -11.227 -11.587 5.591 1.00 0.00 O ATOM 1336 CB SER A 91 -10.935 -9.040 6.972 1.00 0.00 C ATOM 1337 OG SER A 91 -11.733 -7.872 6.804 1.00 0.00 O ATOM 0 H SER A 91 -10.323 -11.591 8.188 1.00 0.00 H new ATOM 0 HA SER A 91 -12.670 -9.830 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.122 -8.826 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.479 -9.308 6.019 1.00 0.00 H new ATOM 0 HG SER A 91 -11.174 -7.139 6.470 1.00 0.00 H new ATOM 1343 N GLY A 92 -13.386 -11.490 6.258 1.00 0.00 N ATOM 1344 CA GLY A 92 -13.864 -12.384 5.216 1.00 0.00 C ATOM 1345 C GLY A 92 -15.291 -12.852 5.507 1.00 0.00 C ATOM 1346 O GLY A 92 -15.532 -13.541 6.498 1.00 0.00 O ATOM 0 H GLY A 92 -14.109 -11.144 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.834 -11.875 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.203 -13.247 5.141 1.00 0.00 H new TER 1350 GLY A 92