USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 60 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot -170:sc= 0.117 USER MOD Set 2.1: A 69 SER OG : rot -73:sc= 1.67 USER MOD Set 2.2: A 71 THR OG1 : rot -72:sc= 0.297 USER MOD Set 3.1: A 13 THR OG1 : rot 109:sc= -0.469 USER MOD Set 3.2: A 16 GLN : amide:sc= -1.09 K(o=-1.6,f=-5!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.99! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0.395 (180deg=0.389) USER MOD Single : A 18 ASN : amide:sc= -1.67! X(o=-1.7!,f=-2.2) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.28 (180deg=-0.635) USER MOD Single : A 35 SER OG : rot 88:sc= 1.25 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 38 THR OG1 : rot -130:sc= -2.69! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -176:sc= -2.01! (180deg=-2.15!) USER MOD Single : A 47 MET CE :methyl -117:sc= -3.99 (180deg=-10.1!) USER MOD Single : A 50 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.068!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.000853 USER MOD Single : A 58 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.8) USER MOD Single : A 80 MET CE :methyl -97:sc= -0.372 (180deg=-1.1) USER MOD Single : A 81 MET CE :methyl -109:sc= -2.75! (180deg=-8.48!) USER MOD Single : A 85 MET CE :methyl -127:sc= -1.06 (180deg=-4.02!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 71.491 12.478 1.250 1.00 0.88 N ATOM 45 CA TYR A 5 71.526 11.235 0.427 1.00 0.86 C ATOM 46 C TYR A 5 70.756 11.446 -0.880 1.00 0.78 C ATOM 47 O TYR A 5 70.974 10.759 -1.858 1.00 0.79 O ATOM 48 CB TYR A 5 70.844 10.164 1.283 1.00 1.02 C ATOM 49 CG TYR A 5 71.320 10.274 2.713 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.687 10.185 3.004 1.00 1.64 C ATOM 51 CD2 TYR A 5 70.396 10.463 3.746 1.00 1.94 C ATOM 52 CE1 TYR A 5 73.129 10.286 4.329 1.00 1.80 C ATOM 53 CE2 TYR A 5 70.837 10.564 5.071 1.00 2.20 C ATOM 54 CZ TYR A 5 72.204 10.476 5.362 1.00 1.77 C ATOM 55 OH TYR A 5 72.638 10.575 6.668 1.00 2.07 O ATOM 0 HA TYR A 5 72.543 10.950 0.157 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.762 10.285 1.240 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.070 9.173 0.890 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.400 10.038 2.207 1.00 1.64 H new ATOM 0 HD2 TYR A 5 69.342 10.531 3.521 1.00 1.94 H new ATOM 0 HE1 TYR A 5 74.183 10.217 4.554 1.00 1.80 H new ATOM 0 HE2 TYR A 5 70.123 10.710 5.868 1.00 2.20 H new ATOM 0 HH TYR A 5 71.868 10.706 7.260 1.00 2.07 H new ATOM 65 N LYS A 6 69.856 12.390 -0.901 1.00 0.89 N ATOM 66 CA LYS A 6 69.070 12.645 -2.145 1.00 1.01 C ATOM 67 C LYS A 6 69.997 13.121 -3.266 1.00 0.98 C ATOM 68 O LYS A 6 69.768 12.855 -4.429 1.00 1.00 O ATOM 69 CB LYS A 6 68.075 13.742 -1.766 1.00 1.28 C ATOM 70 CG LYS A 6 66.738 13.483 -2.462 1.00 1.60 C ATOM 71 CD LYS A 6 66.941 13.486 -3.979 1.00 2.04 C ATOM 72 CE LYS A 6 65.580 13.499 -4.678 1.00 2.60 C ATOM 73 NZ LYS A 6 65.790 12.740 -5.942 1.00 3.24 N ATOM 0 H LYS A 6 69.630 12.996 -0.112 1.00 0.89 H new ATOM 0 HA LYS A 6 68.567 11.749 -2.509 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.936 13.764 -0.685 1.00 1.28 H new ATOM 0 HB3 LYS A 6 68.465 14.717 -2.057 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.329 12.525 -2.141 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.015 14.249 -2.180 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.523 14.359 -4.277 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.509 12.606 -4.282 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.814 13.032 -4.059 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.249 14.518 -4.879 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.899 12.705 -6.478 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 66.520 13.212 -6.513 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.098 11.772 -5.719 1.00 3.24 H new ATOM 87 N ALA A 7 71.041 13.824 -2.924 1.00 1.07 N ATOM 88 CA ALA A 7 71.982 14.319 -3.970 1.00 1.20 C ATOM 89 C ALA A 7 72.849 13.169 -4.489 1.00 1.08 C ATOM 90 O ALA A 7 73.327 13.197 -5.607 1.00 1.19 O ATOM 91 CB ALA A 7 72.844 15.366 -3.262 1.00 1.36 C ATOM 0 H ALA A 7 71.284 14.077 -1.966 1.00 1.07 H new ATOM 0 HA ALA A 7 71.461 14.736 -4.832 1.00 1.20 H new ATOM 0 HB1 ALA A 7 73.565 15.780 -3.966 1.00 1.36 H new ATOM 0 HB2 ALA A 7 72.207 16.165 -2.883 1.00 1.36 H new ATOM 0 HB3 ALA A 7 73.374 14.900 -2.432 1.00 1.36 H new ATOM 97 N ALA A 8 73.056 12.159 -3.689 1.00 0.95 N ATOM 98 CA ALA A 8 73.893 11.009 -4.142 1.00 0.96 C ATOM 99 C ALA A 8 73.089 10.111 -5.085 1.00 0.90 C ATOM 100 O ALA A 8 73.539 9.760 -6.158 1.00 1.01 O ATOM 101 CB ALA A 8 74.258 10.256 -2.863 1.00 0.98 C ATOM 0 H ALA A 8 72.683 12.079 -2.743 1.00 0.95 H new ATOM 0 HA ALA A 8 74.778 11.332 -4.690 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.875 9.393 -3.112 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.811 10.918 -2.197 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.348 9.919 -2.367 1.00 0.98 H new ATOM 107 N VAL A 9 71.900 9.738 -4.695 1.00 0.83 N ATOM 108 CA VAL A 9 71.068 8.866 -5.572 1.00 0.82 C ATOM 109 C VAL A 9 70.945 9.492 -6.964 1.00 0.97 C ATOM 110 O VAL A 9 70.810 8.804 -7.957 1.00 1.02 O ATOM 111 CB VAL A 9 69.701 8.806 -4.891 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.745 7.959 -5.733 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.850 8.177 -3.503 1.00 0.70 C ATOM 0 H VAL A 9 71.469 9.999 -3.808 1.00 0.83 H new ATOM 0 HA VAL A 9 71.501 7.874 -5.702 1.00 0.82 H new ATOM 0 HB VAL A 9 69.301 9.815 -4.793 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.771 7.917 -5.246 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.638 8.406 -6.721 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.144 6.950 -5.832 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.876 8.134 -3.017 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.251 7.168 -3.602 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.529 8.780 -2.901 1.00 0.70 H new ATOM 123 N GLU A 10 70.993 10.793 -7.042 1.00 1.12 N ATOM 124 CA GLU A 10 70.880 11.469 -8.368 1.00 1.32 C ATOM 125 C GLU A 10 72.139 11.215 -9.201 1.00 1.37 C ATOM 126 O GLU A 10 72.134 11.355 -10.408 1.00 1.56 O ATOM 127 CB GLU A 10 70.744 12.956 -8.040 1.00 1.51 C ATOM 128 CG GLU A 10 69.384 13.464 -8.523 1.00 1.80 C ATOM 129 CD GLU A 10 69.589 14.482 -9.647 1.00 2.02 C ATOM 130 OE1 GLU A 10 70.550 14.337 -10.383 1.00 2.28 O ATOM 131 OE2 GLU A 10 68.781 15.391 -9.751 1.00 2.61 O ATOM 0 H GLU A 10 71.106 11.419 -6.245 1.00 1.12 H new ATOM 0 HA GLU A 10 70.036 11.100 -8.951 1.00 1.32 H new ATOM 0 HB2 GLU A 10 70.842 13.113 -6.966 1.00 1.51 H new ATOM 0 HB3 GLU A 10 71.545 13.519 -8.518 1.00 1.51 H new ATOM 0 HG2 GLU A 10 68.778 12.631 -8.879 1.00 1.80 H new ATOM 0 HG3 GLU A 10 68.841 13.923 -7.697 1.00 1.80 H new ATOM 138 N GLN A 11 73.218 10.845 -8.567 1.00 1.29 N ATOM 139 CA GLN A 11 74.476 10.585 -9.326 1.00 1.45 C ATOM 140 C GLN A 11 74.578 9.100 -9.691 1.00 1.35 C ATOM 141 O GLN A 11 75.574 8.648 -10.216 1.00 1.53 O ATOM 142 CB GLN A 11 75.604 10.978 -8.373 1.00 1.61 C ATOM 143 CG GLN A 11 75.449 12.446 -7.971 1.00 2.13 C ATOM 144 CD GLN A 11 76.732 12.930 -7.293 1.00 2.44 C ATOM 145 OE1 GLN A 11 77.596 13.496 -7.935 1.00 2.96 O ATOM 146 NE2 GLN A 11 76.896 12.730 -6.014 1.00 2.71 N ATOM 0 H GLN A 11 73.284 10.711 -7.558 1.00 1.29 H new ATOM 0 HA GLN A 11 74.516 11.146 -10.260 1.00 1.45 H new ATOM 0 HB2 GLN A 11 75.582 10.344 -7.487 1.00 1.61 H new ATOM 0 HB3 GLN A 11 76.570 10.822 -8.853 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.239 13.054 -8.851 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.602 12.561 -7.294 1.00 2.13 H new ATOM 0 HE21 GLN A 11 76.172 12.255 -5.475 1.00 2.71 H new ATOM 0 HE22 GLN A 11 77.748 13.048 -5.553 1.00 2.71 H new ATOM 155 N LEU A 12 73.553 8.341 -9.413 1.00 1.18 N ATOM 156 CA LEU A 12 73.592 6.887 -9.740 1.00 1.21 C ATOM 157 C LEU A 12 73.707 6.686 -11.253 1.00 1.11 C ATOM 158 O LEU A 12 73.770 7.632 -12.014 1.00 1.25 O ATOM 159 CB LEU A 12 72.261 6.329 -9.234 1.00 1.32 C ATOM 160 CG LEU A 12 72.416 5.838 -7.793 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.136 5.121 -7.363 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.595 4.866 -7.704 1.00 1.68 C ATOM 0 H LEU A 12 72.691 8.664 -8.974 1.00 1.18 H new ATOM 0 HA LEU A 12 74.447 6.388 -9.284 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.491 7.099 -9.284 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.934 5.509 -9.873 1.00 1.32 H new ATOM 0 HG LEU A 12 72.599 6.690 -7.138 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.243 4.770 -6.337 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.294 5.811 -7.425 1.00 1.49 H new ATOM 0 HD13 LEU A 12 70.957 4.270 -8.021 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.703 4.518 -6.677 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.414 4.014 -8.359 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.509 5.373 -8.013 1.00 1.68 H new ATOM 174 N THR A 13 73.731 5.458 -11.694 1.00 1.05 N ATOM 175 CA THR A 13 73.835 5.191 -13.156 1.00 1.13 C ATOM 176 C THR A 13 72.657 4.325 -13.612 1.00 0.94 C ATOM 177 O THR A 13 72.020 3.660 -12.821 1.00 0.87 O ATOM 178 CB THR A 13 75.154 4.438 -13.332 1.00 1.38 C ATOM 179 OG1 THR A 13 75.568 3.911 -12.078 1.00 1.89 O ATOM 180 CG2 THR A 13 76.222 5.395 -13.864 1.00 1.68 C ATOM 0 H THR A 13 73.683 4.627 -11.104 1.00 1.05 H new ATOM 0 HA THR A 13 73.810 6.106 -13.748 1.00 1.13 H new ATOM 0 HB THR A 13 75.016 3.622 -14.041 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.462 2.937 -12.082 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.162 4.858 -13.989 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.903 5.798 -14.825 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.363 6.212 -13.157 1.00 1.68 H new ATOM 188 N GLU A 14 72.360 4.331 -14.882 1.00 0.94 N ATOM 189 CA GLU A 14 71.221 3.511 -15.383 1.00 0.90 C ATOM 190 C GLU A 14 71.377 2.055 -14.935 1.00 0.82 C ATOM 191 O GLU A 14 70.415 1.318 -14.844 1.00 0.82 O ATOM 192 CB GLU A 14 71.295 3.618 -16.906 1.00 1.05 C ATOM 193 CG GLU A 14 70.028 3.022 -17.522 1.00 2.10 C ATOM 194 CD GLU A 14 70.388 1.759 -18.308 1.00 2.64 C ATOM 195 OE1 GLU A 14 70.892 0.831 -17.700 1.00 2.91 O ATOM 196 OE2 GLU A 14 70.154 1.744 -19.506 1.00 3.31 O ATOM 0 H GLU A 14 72.856 4.867 -15.594 1.00 0.94 H new ATOM 0 HA GLU A 14 70.262 3.858 -14.998 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.400 4.661 -17.203 1.00 1.05 H new ATOM 0 HB3 GLU A 14 72.174 3.091 -17.276 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.308 2.783 -16.739 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.554 3.750 -18.180 1.00 2.10 H new ATOM 203 N GLU A 15 72.580 1.636 -14.651 1.00 0.92 N ATOM 204 CA GLU A 15 72.790 0.228 -14.206 1.00 1.01 C ATOM 205 C GLU A 15 72.475 0.096 -12.715 1.00 0.90 C ATOM 206 O GLU A 15 72.100 -0.959 -12.240 1.00 0.89 O ATOM 207 CB GLU A 15 74.271 -0.056 -14.469 1.00 1.23 C ATOM 208 CG GLU A 15 74.570 -1.526 -14.165 1.00 1.92 C ATOM 209 CD GLU A 15 75.024 -2.231 -15.444 1.00 2.37 C ATOM 210 OE1 GLU A 15 74.481 -1.923 -16.492 1.00 2.90 O ATOM 211 OE2 GLU A 15 75.907 -3.068 -15.354 1.00 2.80 O ATOM 0 H GLU A 15 73.424 2.205 -14.707 1.00 0.92 H new ATOM 0 HA GLU A 15 72.142 -0.473 -14.732 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.517 0.169 -15.507 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.892 0.589 -13.847 1.00 1.23 H new ATOM 0 HG2 GLU A 15 75.345 -1.600 -13.402 1.00 1.92 H new ATOM 0 HG3 GLU A 15 73.681 -2.013 -13.765 1.00 1.92 H new ATOM 218 N GLN A 16 72.623 1.158 -11.970 1.00 0.89 N ATOM 219 CA GLN A 16 72.333 1.092 -10.510 1.00 0.87 C ATOM 220 C GLN A 16 70.845 1.343 -10.252 1.00 0.68 C ATOM 221 O GLN A 16 70.237 0.707 -9.414 1.00 0.67 O ATOM 222 CB GLN A 16 73.180 2.202 -9.889 1.00 0.97 C ATOM 223 CG GLN A 16 74.287 1.583 -9.034 1.00 1.77 C ATOM 224 CD GLN A 16 75.578 2.385 -9.209 1.00 2.15 C ATOM 225 OE1 GLN A 16 76.179 2.368 -10.265 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.033 3.091 -8.210 1.00 2.61 N ATOM 0 H GLN A 16 72.932 2.069 -12.310 1.00 0.89 H new ATOM 0 HA GLN A 16 72.566 0.115 -10.087 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.615 2.823 -10.672 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.554 2.852 -9.277 1.00 0.97 H new ATOM 0 HG2 GLN A 16 73.990 1.577 -7.985 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.449 0.545 -9.326 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.528 3.105 -7.324 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.893 3.629 -8.316 1.00 2.61 H new ATOM 235 N LYS A 17 70.252 2.265 -10.961 1.00 0.63 N ATOM 236 CA LYS A 17 68.805 2.552 -10.746 1.00 0.62 C ATOM 237 C LYS A 17 67.953 1.380 -11.239 1.00 0.60 C ATOM 238 O LYS A 17 66.997 0.983 -10.603 1.00 0.66 O ATOM 239 CB LYS A 17 68.523 3.809 -11.569 1.00 0.74 C ATOM 240 CG LYS A 17 67.242 4.474 -11.061 1.00 1.21 C ATOM 241 CD LYS A 17 67.435 5.992 -11.023 1.00 1.31 C ATOM 242 CE LYS A 17 68.132 6.384 -9.718 1.00 1.43 C ATOM 243 NZ LYS A 17 68.949 7.580 -10.063 1.00 2.06 N ATOM 0 H LYS A 17 70.706 2.831 -11.678 1.00 0.63 H new ATOM 0 HA LYS A 17 68.564 2.695 -9.693 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.361 4.502 -11.492 1.00 0.74 H new ATOM 0 HB3 LYS A 17 68.418 3.551 -12.623 1.00 0.74 H new ATOM 0 HG2 LYS A 17 66.405 4.219 -11.711 1.00 1.21 H new ATOM 0 HG3 LYS A 17 66.997 4.103 -10.066 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.030 6.315 -11.877 1.00 1.31 H new ATOM 0 HD3 LYS A 17 66.470 6.494 -11.098 1.00 1.31 H new ATOM 0 HE2 LYS A 17 67.407 6.613 -8.937 1.00 1.43 H new ATOM 0 HE3 LYS A 17 68.757 5.573 -9.345 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.484 7.888 -9.226 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 69.611 7.339 -10.828 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 68.323 8.349 -10.376 1.00 2.06 H new ATOM 257 N ASN A 18 68.292 0.821 -12.368 1.00 0.70 N ATOM 258 CA ASN A 18 67.500 -0.327 -12.899 1.00 0.85 C ATOM 259 C ASN A 18 67.563 -1.508 -11.927 1.00 0.70 C ATOM 260 O ASN A 18 66.552 -2.020 -11.490 1.00 0.66 O ATOM 261 CB ASN A 18 68.170 -0.689 -14.225 1.00 1.11 C ATOM 262 CG ASN A 18 67.521 0.109 -15.358 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.440 -0.217 -15.803 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.142 1.148 -15.845 1.00 2.13 N ATOM 0 H ASN A 18 69.082 1.108 -12.946 1.00 0.70 H new ATOM 0 HA ASN A 18 66.447 -0.078 -13.028 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.237 -0.471 -14.177 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.071 -1.758 -14.415 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.719 1.687 -16.600 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.050 1.421 -15.470 1.00 2.13 H new ATOM 271 N GLU A 19 68.745 -1.944 -11.588 1.00 0.76 N ATOM 272 CA GLU A 19 68.877 -3.092 -10.646 1.00 0.79 C ATOM 273 C GLU A 19 67.983 -2.881 -9.420 1.00 0.65 C ATOM 274 O GLU A 19 67.425 -3.817 -8.880 1.00 0.66 O ATOM 275 CB GLU A 19 70.351 -3.102 -10.240 1.00 0.98 C ATOM 276 CG GLU A 19 70.854 -4.546 -10.179 1.00 1.21 C ATOM 277 CD GLU A 19 72.070 -4.703 -11.096 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.032 -3.981 -10.900 1.00 2.53 O ATOM 279 OE2 GLU A 19 72.016 -5.545 -11.976 1.00 2.44 O ATOM 0 H GLU A 19 69.626 -1.555 -11.923 1.00 0.76 H new ATOM 0 HA GLU A 19 68.572 -4.035 -11.100 1.00 0.79 H new ATOM 0 HB2 GLU A 19 70.940 -2.530 -10.957 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.475 -2.621 -9.270 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.122 -4.806 -9.155 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.063 -5.231 -10.485 1.00 1.21 H new ATOM 286 N PHE A 20 67.842 -1.663 -8.975 1.00 0.67 N ATOM 287 CA PHE A 20 66.982 -1.400 -7.783 1.00 0.75 C ATOM 288 C PHE A 20 65.514 -1.670 -8.120 1.00 0.66 C ATOM 289 O PHE A 20 64.847 -2.440 -7.457 1.00 0.79 O ATOM 290 CB PHE A 20 67.195 0.079 -7.453 1.00 0.97 C ATOM 291 CG PHE A 20 68.503 0.253 -6.719 1.00 1.44 C ATOM 292 CD1 PHE A 20 68.851 -0.628 -5.686 1.00 2.24 C ATOM 293 CD2 PHE A 20 69.370 1.294 -7.069 1.00 2.35 C ATOM 294 CE1 PHE A 20 70.064 -0.466 -5.007 1.00 3.29 C ATOM 295 CE2 PHE A 20 70.582 1.456 -6.390 1.00 3.36 C ATOM 296 CZ PHE A 20 70.930 0.576 -5.359 1.00 3.69 C ATOM 0 H PHE A 20 68.283 -0.839 -9.383 1.00 0.67 H new ATOM 0 HA PHE A 20 67.238 -2.044 -6.941 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.200 0.669 -8.369 1.00 0.97 H new ATOM 0 HB3 PHE A 20 66.372 0.447 -6.841 1.00 0.97 H new ATOM 0 HD1 PHE A 20 68.183 -1.432 -5.414 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.103 1.974 -7.865 1.00 2.35 H new ATOM 0 HE1 PHE A 20 70.332 -1.145 -4.211 1.00 3.29 H new ATOM 0 HE2 PHE A 20 71.250 2.260 -6.661 1.00 3.36 H new ATOM 0 HZ PHE A 20 71.866 0.701 -4.835 1.00 3.69 H new ATOM 306 N LYS A 21 65.003 -1.045 -9.147 1.00 0.60 N ATOM 307 CA LYS A 21 63.577 -1.274 -9.522 1.00 0.65 C ATOM 308 C LYS A 21 63.334 -2.763 -9.771 1.00 0.57 C ATOM 309 O LYS A 21 62.345 -3.323 -9.342 1.00 0.57 O ATOM 310 CB LYS A 21 63.366 -0.476 -10.811 1.00 0.78 C ATOM 311 CG LYS A 21 63.821 0.973 -10.612 1.00 1.27 C ATOM 312 CD LYS A 21 63.327 1.487 -9.258 1.00 1.58 C ATOM 313 CE LYS A 21 63.864 2.899 -9.021 1.00 2.42 C ATOM 314 NZ LYS A 21 65.213 2.702 -8.419 1.00 2.88 N ATOM 0 H LYS A 21 65.509 -0.388 -9.741 1.00 0.60 H new ATOM 0 HA LYS A 21 62.890 -0.962 -8.736 1.00 0.65 H new ATOM 0 HB2 LYS A 21 63.926 -0.933 -11.627 1.00 0.78 H new ATOM 0 HB3 LYS A 21 62.314 -0.500 -11.095 1.00 0.78 H new ATOM 0 HG2 LYS A 21 64.908 1.033 -10.660 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.432 1.600 -11.414 1.00 1.27 H new ATOM 0 HD2 LYS A 21 62.237 1.492 -9.235 1.00 1.58 H new ATOM 0 HD3 LYS A 21 63.660 0.822 -8.461 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.926 3.460 -9.954 1.00 2.42 H new ATOM 0 HE3 LYS A 21 63.212 3.462 -8.353 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.739 3.599 -8.446 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.111 2.390 -7.432 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 65.732 1.980 -8.959 1.00 2.88 H new ATOM 328 N ALA A 22 64.233 -3.406 -10.461 1.00 0.59 N ATOM 329 CA ALA A 22 64.063 -4.859 -10.742 1.00 0.62 C ATOM 330 C ALA A 22 64.121 -5.657 -9.437 1.00 0.50 C ATOM 331 O ALA A 22 63.196 -6.361 -9.087 1.00 0.50 O ATOM 332 CB ALA A 22 65.236 -5.227 -11.650 1.00 0.76 C ATOM 0 H ALA A 22 65.081 -2.987 -10.844 1.00 0.59 H new ATOM 0 HA ALA A 22 63.103 -5.082 -11.209 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.182 -6.286 -11.903 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.190 -4.633 -12.563 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.174 -5.025 -11.133 1.00 0.76 H new ATOM 338 N ALA A 23 65.201 -5.551 -8.713 1.00 0.50 N ATOM 339 CA ALA A 23 65.312 -6.306 -7.432 1.00 0.53 C ATOM 340 C ALA A 23 64.186 -5.892 -6.481 1.00 0.46 C ATOM 341 O ALA A 23 63.528 -6.722 -5.885 1.00 0.52 O ATOM 342 CB ALA A 23 66.673 -5.914 -6.855 1.00 0.64 C ATOM 0 H ALA A 23 66.009 -4.976 -8.951 1.00 0.50 H new ATOM 0 HA ALA A 23 65.229 -7.383 -7.577 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.829 -6.431 -5.908 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.460 -6.194 -7.555 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.702 -4.837 -6.690 1.00 0.64 H new ATOM 348 N PHE A 24 63.960 -4.615 -6.335 1.00 0.47 N ATOM 349 CA PHE A 24 62.874 -4.150 -5.425 1.00 0.57 C ATOM 350 C PHE A 24 61.591 -4.941 -5.690 1.00 0.48 C ATOM 351 O PHE A 24 61.034 -5.555 -4.803 1.00 0.51 O ATOM 352 CB PHE A 24 62.676 -2.673 -5.768 1.00 0.77 C ATOM 353 CG PHE A 24 61.565 -2.101 -4.919 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.240 -2.498 -5.138 1.00 1.54 C ATOM 355 CD2 PHE A 24 61.862 -1.172 -3.913 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.212 -1.966 -4.351 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.832 -0.641 -3.128 1.00 1.72 C ATOM 358 CZ PHE A 24 59.507 -1.037 -3.346 1.00 1.25 C ATOM 0 H PHE A 24 64.479 -3.874 -6.806 1.00 0.47 H new ATOM 0 HA PHE A 24 63.124 -4.293 -4.374 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.600 -2.122 -5.595 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.433 -2.564 -6.825 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.012 -3.214 -5.914 1.00 1.54 H new ATOM 0 HD2 PHE A 24 62.884 -0.866 -3.744 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.190 -2.272 -4.519 1.00 1.62 H new ATOM 0 HE2 PHE A 24 61.060 0.076 -2.353 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.713 -0.626 -2.740 1.00 1.25 H new ATOM 368 N ASP A 25 61.120 -4.933 -6.907 1.00 0.45 N ATOM 369 CA ASP A 25 59.873 -5.685 -7.229 1.00 0.53 C ATOM 370 C ASP A 25 60.089 -7.185 -7.012 1.00 0.52 C ATOM 371 O ASP A 25 59.202 -7.892 -6.578 1.00 0.60 O ATOM 372 CB ASP A 25 59.602 -5.390 -8.704 1.00 0.66 C ATOM 373 CG ASP A 25 59.364 -3.891 -8.889 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.099 -3.226 -7.901 1.00 1.55 O ATOM 375 OD2 ASP A 25 59.449 -3.432 -10.017 1.00 1.52 O ATOM 0 H ASP A 25 61.544 -4.439 -7.692 1.00 0.45 H new ATOM 0 HA ASP A 25 59.037 -5.390 -6.594 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.448 -5.712 -9.312 1.00 0.66 H new ATOM 0 HB3 ASP A 25 58.732 -5.952 -9.044 1.00 0.66 H new ATOM 380 N ILE A 26 61.261 -7.677 -7.312 1.00 0.50 N ATOM 381 CA ILE A 26 61.529 -9.131 -7.121 1.00 0.63 C ATOM 382 C ILE A 26 61.698 -9.445 -5.633 1.00 0.70 C ATOM 383 O ILE A 26 61.657 -10.588 -5.221 1.00 0.94 O ATOM 384 CB ILE A 26 62.833 -9.397 -7.875 1.00 0.68 C ATOM 385 CG1 ILE A 26 62.664 -8.988 -9.339 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.175 -10.885 -7.797 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.038 -8.711 -9.954 1.00 0.69 C ATOM 0 H ILE A 26 62.043 -7.136 -7.680 1.00 0.50 H new ATOM 0 HA ILE A 26 60.712 -9.753 -7.487 1.00 0.63 H new ATOM 0 HB ILE A 26 63.639 -8.817 -7.425 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.159 -9.779 -9.893 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.037 -8.099 -9.409 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.104 -11.073 -8.335 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.294 -11.177 -6.754 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.371 -11.467 -8.247 1.00 0.94 H new ATOM 0 HD11 ILE A 26 63.918 -8.420 -10.997 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.526 -7.905 -9.406 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.650 -9.611 -9.897 1.00 0.69 H new ATOM 399 N PHE A 27 61.893 -8.440 -4.825 1.00 0.61 N ATOM 400 CA PHE A 27 62.070 -8.681 -3.364 1.00 0.79 C ATOM 401 C PHE A 27 60.842 -8.196 -2.589 1.00 0.76 C ATOM 402 O PHE A 27 60.488 -8.747 -1.565 1.00 1.03 O ATOM 403 CB PHE A 27 63.306 -7.868 -2.977 1.00 0.91 C ATOM 404 CG PHE A 27 64.548 -8.656 -3.312 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.807 -9.866 -2.656 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.442 -8.178 -4.276 1.00 2.23 C ATOM 407 CE1 PHE A 27 65.958 -10.599 -2.968 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.593 -8.911 -4.588 1.00 3.07 C ATOM 409 CZ PHE A 27 66.851 -10.120 -3.933 1.00 3.21 C ATOM 0 H PHE A 27 61.938 -7.462 -5.112 1.00 0.61 H new ATOM 0 HA PHE A 27 62.188 -9.740 -3.133 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.311 -6.917 -3.509 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.284 -7.637 -1.912 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.119 -10.234 -1.909 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.244 -7.243 -4.780 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.157 -11.533 -2.464 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.282 -8.543 -5.334 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.740 -10.684 -4.172 1.00 3.21 H new ATOM 419 N VAL A 28 60.187 -7.173 -3.065 1.00 0.63 N ATOM 420 CA VAL A 28 58.986 -6.664 -2.352 1.00 0.65 C ATOM 421 C VAL A 28 57.800 -7.600 -2.606 1.00 0.65 C ATOM 422 O VAL A 28 56.837 -7.613 -1.866 1.00 0.74 O ATOM 423 CB VAL A 28 58.750 -5.268 -2.944 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.255 -4.945 -2.980 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.468 -4.236 -2.076 1.00 1.47 C ATOM 0 H VAL A 28 60.433 -6.669 -3.917 1.00 0.63 H new ATOM 0 HA VAL A 28 59.112 -6.618 -1.270 1.00 0.65 H new ATOM 0 HB VAL A 28 59.137 -5.243 -3.963 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.108 -3.951 -3.403 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.738 -5.682 -3.595 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.852 -4.972 -1.967 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.307 -3.240 -2.487 1.00 1.47 H new ATOM 0 HG22 VAL A 28 59.074 -4.277 -1.061 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.536 -4.454 -2.060 1.00 1.47 H new ATOM 435 N LEU A 29 57.870 -8.389 -3.639 1.00 0.92 N ATOM 436 CA LEU A 29 56.754 -9.330 -3.934 1.00 0.99 C ATOM 437 C LEU A 29 56.396 -10.122 -2.677 1.00 0.99 C ATOM 438 O LEU A 29 55.271 -10.540 -2.491 1.00 1.10 O ATOM 439 CB LEU A 29 57.311 -10.266 -4.999 1.00 1.43 C ATOM 440 CG LEU A 29 56.422 -10.215 -6.243 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.258 -8.762 -6.693 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.074 -11.024 -7.368 1.00 2.45 C ATOM 0 H LEU A 29 58.652 -8.424 -4.293 1.00 0.92 H new ATOM 0 HA LEU A 29 55.851 -8.816 -4.264 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.330 -9.976 -5.256 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.357 -11.285 -4.614 1.00 1.43 H new ATOM 0 HG LEU A 29 55.445 -10.637 -6.009 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.625 -8.725 -7.579 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.797 -8.183 -5.893 1.00 2.11 H new ATOM 0 HD13 LEU A 29 57.236 -8.341 -6.928 1.00 2.11 H new ATOM 0 HD21 LEU A 29 56.442 -10.989 -8.255 1.00 2.45 H new ATOM 0 HD22 LEU A 29 58.051 -10.601 -7.602 1.00 2.45 H new ATOM 0 HD23 LEU A 29 57.194 -12.059 -7.049 1.00 2.45 H new ATOM 454 N GLY A 30 57.349 -10.325 -1.813 1.00 1.16 N ATOM 455 CA GLY A 30 57.076 -11.084 -0.563 1.00 1.58 C ATOM 456 C GLY A 30 57.354 -10.186 0.641 1.00 1.39 C ATOM 457 O GLY A 30 57.329 -10.621 1.775 1.00 1.89 O ATOM 0 H GLY A 30 58.309 -9.997 -1.919 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.040 -11.422 -0.548 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.703 -11.975 -0.520 1.00 1.58 H new ATOM 461 N ALA A 31 57.622 -8.932 0.398 1.00 0.90 N ATOM 462 CA ALA A 31 57.904 -7.994 1.523 1.00 0.95 C ATOM 463 C ALA A 31 56.752 -8.014 2.532 1.00 1.15 C ATOM 464 O ALA A 31 55.943 -8.919 2.548 1.00 1.41 O ATOM 465 CB ALA A 31 58.023 -6.616 0.870 1.00 0.97 C ATOM 0 H ALA A 31 57.658 -8.515 -0.532 1.00 0.90 H new ATOM 0 HA ALA A 31 58.807 -8.265 2.069 1.00 0.95 H new ATOM 0 HB1 ALA A 31 58.231 -5.868 1.635 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.835 -6.627 0.143 1.00 0.97 H new ATOM 0 HB3 ALA A 31 57.088 -6.370 0.366 1.00 0.97 H new ATOM 471 N GLU A 32 56.671 -7.022 3.375 1.00 1.35 N ATOM 472 CA GLU A 32 55.571 -6.990 4.382 1.00 1.90 C ATOM 473 C GLU A 32 54.698 -5.748 4.181 1.00 2.05 C ATOM 474 O GLU A 32 53.549 -5.717 4.576 1.00 2.79 O ATOM 475 CB GLU A 32 56.277 -6.935 5.737 1.00 2.37 C ATOM 476 CG GLU A 32 55.495 -7.768 6.755 1.00 2.44 C ATOM 477 CD GLU A 32 55.748 -7.226 8.163 1.00 2.83 C ATOM 478 OE1 GLU A 32 55.372 -6.093 8.416 1.00 3.24 O ATOM 479 OE2 GLU A 32 56.315 -7.951 8.963 1.00 3.29 O ATOM 0 H GLU A 32 57.317 -6.233 3.411 1.00 1.35 H new ATOM 0 HA GLU A 32 54.912 -7.854 4.298 1.00 1.90 H new ATOM 0 HB2 GLU A 32 57.294 -7.316 5.645 1.00 2.37 H new ATOM 0 HB3 GLU A 32 56.353 -5.902 6.078 1.00 2.37 H new ATOM 0 HG2 GLU A 32 54.430 -7.733 6.527 1.00 2.44 H new ATOM 0 HG3 GLU A 32 55.800 -8.813 6.696 1.00 2.44 H new ATOM 486 N ASP A 33 55.230 -4.722 3.573 1.00 1.80 N ATOM 487 CA ASP A 33 54.422 -3.487 3.355 1.00 2.11 C ATOM 488 C ASP A 33 54.842 -2.796 2.055 1.00 1.47 C ATOM 489 O ASP A 33 55.201 -1.635 2.046 1.00 1.80 O ATOM 490 CB ASP A 33 54.730 -2.598 4.560 1.00 3.12 C ATOM 491 CG ASP A 33 54.072 -1.231 4.368 1.00 3.68 C ATOM 492 OD1 ASP A 33 52.870 -1.198 4.158 1.00 4.12 O ATOM 493 OD2 ASP A 33 54.779 -0.239 4.433 1.00 4.09 O ATOM 0 H ASP A 33 56.186 -4.685 3.219 1.00 1.80 H new ATOM 0 HA ASP A 33 53.357 -3.702 3.266 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.362 -3.065 5.473 1.00 3.12 H new ATOM 0 HB3 ASP A 33 55.808 -2.482 4.673 1.00 3.12 H new ATOM 498 N GLY A 34 54.796 -3.497 0.955 1.00 1.10 N ATOM 499 CA GLY A 34 55.189 -2.877 -0.342 1.00 1.40 C ATOM 500 C GLY A 34 56.569 -2.231 -0.205 1.00 1.17 C ATOM 501 O GLY A 34 56.938 -1.364 -0.973 1.00 1.39 O ATOM 0 H GLY A 34 54.503 -4.472 0.899 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.206 -3.633 -1.127 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.453 -2.128 -0.636 1.00 1.40 H new ATOM 505 N SER A 35 57.335 -2.646 0.765 1.00 0.84 N ATOM 506 CA SER A 35 58.693 -2.057 0.950 1.00 0.70 C ATOM 507 C SER A 35 59.689 -3.152 1.338 1.00 0.67 C ATOM 508 O SER A 35 59.333 -4.305 1.478 1.00 0.80 O ATOM 509 CB SER A 35 58.533 -1.047 2.086 1.00 0.75 C ATOM 510 OG SER A 35 57.420 -0.205 1.814 1.00 1.04 O ATOM 0 H SER A 35 57.080 -3.368 1.439 1.00 0.84 H new ATOM 0 HA SER A 35 59.072 -1.589 0.041 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.387 -1.567 3.033 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.439 -0.450 2.187 1.00 0.75 H new ATOM 0 HG SER A 35 56.604 -0.619 2.164 1.00 1.04 H new ATOM 516 N ILE A 36 60.933 -2.803 1.516 1.00 0.69 N ATOM 517 CA ILE A 36 61.948 -3.832 1.897 1.00 0.78 C ATOM 518 C ILE A 36 62.590 -3.448 3.233 1.00 0.71 C ATOM 519 O ILE A 36 63.503 -2.650 3.287 1.00 0.98 O ATOM 520 CB ILE A 36 63.006 -3.845 0.776 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.477 -3.151 -0.488 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.355 -5.293 0.434 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.475 -3.346 -1.631 1.00 1.22 C ATOM 0 H ILE A 36 61.292 -1.854 1.415 1.00 0.69 H new ATOM 0 HA ILE A 36 61.496 -4.817 2.013 1.00 0.78 H new ATOM 0 HB ILE A 36 63.888 -3.309 1.127 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.507 -3.564 -0.764 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.329 -2.088 -0.297 1.00 1.09 H new ATOM 0 HG21 ILE A 36 64.103 -5.309 -0.359 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.753 -5.790 1.319 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.458 -5.814 0.097 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.101 -2.854 -2.529 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.436 -2.912 -1.353 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.601 -4.411 -1.827 1.00 1.22 H new ATOM 535 N SER A 37 62.113 -4.005 4.312 1.00 0.87 N ATOM 536 CA SER A 37 62.690 -3.663 5.645 1.00 0.87 C ATOM 537 C SER A 37 64.002 -4.415 5.875 1.00 0.76 C ATOM 538 O SER A 37 64.281 -5.412 5.239 1.00 0.87 O ATOM 539 CB SER A 37 61.634 -4.107 6.657 1.00 1.12 C ATOM 540 OG SER A 37 61.322 -5.476 6.438 1.00 1.52 O ATOM 0 H SER A 37 61.350 -4.681 4.330 1.00 0.87 H new ATOM 0 HA SER A 37 62.921 -2.601 5.730 1.00 0.87 H new ATOM 0 HB2 SER A 37 62.004 -3.964 7.672 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.737 -3.497 6.555 1.00 1.12 H new ATOM 0 HG SER A 37 60.646 -5.765 7.086 1.00 1.52 H new ATOM 546 N THR A 38 64.810 -3.941 6.784 1.00 0.71 N ATOM 547 CA THR A 38 66.108 -4.620 7.065 1.00 0.65 C ATOM 548 C THR A 38 65.894 -6.124 7.261 1.00 0.70 C ATOM 549 O THR A 38 66.805 -6.913 7.114 1.00 1.37 O ATOM 550 CB THR A 38 66.627 -3.980 8.353 1.00 0.76 C ATOM 551 OG1 THR A 38 67.624 -4.814 8.926 1.00 1.55 O ATOM 552 CG2 THR A 38 65.473 -3.811 9.337 1.00 1.00 C ATOM 0 H THR A 38 64.627 -3.110 7.346 1.00 0.71 H new ATOM 0 HA THR A 38 66.814 -4.506 6.242 1.00 0.65 H new ATOM 0 HB THR A 38 67.057 -3.004 8.128 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.424 -4.959 9.874 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.842 -3.355 10.256 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.709 -3.171 8.895 1.00 1.00 H new ATOM 0 HG23 THR A 38 65.042 -4.786 9.564 1.00 1.00 H new ATOM 560 N LYS A 39 64.697 -6.527 7.590 1.00 0.60 N ATOM 561 CA LYS A 39 64.432 -7.981 7.790 1.00 0.66 C ATOM 562 C LYS A 39 64.229 -8.663 6.436 1.00 0.64 C ATOM 563 O LYS A 39 64.507 -9.834 6.269 1.00 0.87 O ATOM 564 CB LYS A 39 63.147 -8.041 8.617 1.00 0.81 C ATOM 565 CG LYS A 39 62.862 -9.491 9.010 1.00 1.42 C ATOM 566 CD LYS A 39 64.127 -10.120 9.596 1.00 1.58 C ATOM 567 CE LYS A 39 63.747 -11.061 10.741 1.00 2.15 C ATOM 568 NZ LYS A 39 64.298 -10.420 11.966 1.00 2.80 N ATOM 0 H LYS A 39 63.893 -5.915 7.729 1.00 0.60 H new ATOM 0 HA LYS A 39 65.258 -8.490 8.287 1.00 0.66 H new ATOM 0 HB2 LYS A 39 63.247 -7.424 9.510 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.313 -7.638 8.043 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.053 -9.529 9.740 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.532 -10.057 8.139 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.664 -10.669 8.823 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.798 -9.342 9.959 1.00 1.58 H new ATOM 0 HE2 LYS A 39 62.666 -11.181 10.811 1.00 2.15 H new ATOM 0 HE3 LYS A 39 64.169 -12.055 10.592 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.077 -11.008 12.795 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 65.330 -10.325 11.874 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 63.873 -9.478 12.086 1.00 2.80 H new ATOM 582 N GLU A 40 63.746 -7.934 5.469 1.00 0.63 N ATOM 583 CA GLU A 40 63.522 -8.527 4.122 1.00 0.68 C ATOM 584 C GLU A 40 64.551 -7.963 3.130 1.00 0.66 C ATOM 585 O GLU A 40 64.858 -8.573 2.125 1.00 0.83 O ATOM 586 CB GLU A 40 62.079 -8.124 3.763 1.00 0.86 C ATOM 587 CG GLU A 40 61.991 -7.595 2.326 1.00 1.05 C ATOM 588 CD GLU A 40 62.287 -8.730 1.344 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.629 -9.753 1.438 1.00 1.92 O ATOM 590 OE2 GLU A 40 63.166 -8.556 0.516 1.00 2.32 O ATOM 0 H GLU A 40 63.496 -6.949 5.555 1.00 0.63 H new ATOM 0 HA GLU A 40 63.645 -9.610 4.094 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.419 -8.984 3.877 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.729 -7.359 4.457 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.998 -7.187 2.138 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.702 -6.781 2.183 1.00 1.05 H new ATOM 597 N LEU A 41 65.083 -6.805 3.409 1.00 0.73 N ATOM 598 CA LEU A 41 66.089 -6.205 2.487 1.00 0.80 C ATOM 599 C LEU A 41 67.442 -6.897 2.665 1.00 0.72 C ATOM 600 O LEU A 41 68.294 -6.853 1.799 1.00 0.81 O ATOM 601 CB LEU A 41 66.180 -4.737 2.904 1.00 1.10 C ATOM 602 CG LEU A 41 67.239 -4.031 2.058 1.00 1.23 C ATOM 603 CD1 LEU A 41 66.560 -3.032 1.122 1.00 1.94 C ATOM 604 CD2 LEU A 41 68.211 -3.286 2.977 1.00 1.83 C ATOM 0 H LEU A 41 64.865 -6.248 4.235 1.00 0.73 H new ATOM 0 HA LEU A 41 65.809 -6.315 1.439 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.213 -4.251 2.775 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.435 -4.663 3.961 1.00 1.10 H new ATOM 0 HG LEU A 41 67.785 -4.768 1.470 1.00 1.23 H new ATOM 0 HD11 LEU A 41 67.315 -2.528 0.518 1.00 1.94 H new ATOM 0 HD12 LEU A 41 65.866 -3.560 0.468 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.015 -2.294 1.711 1.00 1.94 H new ATOM 0 HD21 LEU A 41 68.967 -2.782 2.375 1.00 1.83 H new ATOM 0 HD22 LEU A 41 67.664 -2.549 3.564 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.695 -3.996 3.647 1.00 1.83 H new ATOM 616 N GLY A 42 67.643 -7.536 3.783 1.00 0.72 N ATOM 617 CA GLY A 42 68.938 -8.232 4.027 1.00 0.91 C ATOM 618 C GLY A 42 69.347 -9.012 2.777 1.00 0.78 C ATOM 619 O GLY A 42 70.459 -8.899 2.300 1.00 0.84 O ATOM 0 H GLY A 42 66.964 -7.607 4.541 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.710 -7.506 4.283 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.844 -8.910 4.876 1.00 0.91 H new ATOM 623 N LYS A 43 68.460 -9.806 2.242 1.00 0.77 N ATOM 624 CA LYS A 43 68.805 -10.593 1.022 1.00 0.86 C ATOM 625 C LYS A 43 68.898 -9.669 -0.193 1.00 0.79 C ATOM 626 O LYS A 43 69.426 -10.035 -1.225 1.00 0.99 O ATOM 627 CB LYS A 43 67.656 -11.587 0.854 1.00 0.95 C ATOM 628 CG LYS A 43 67.955 -12.857 1.654 1.00 1.34 C ATOM 629 CD LYS A 43 67.737 -14.084 0.767 1.00 2.13 C ATOM 630 CE LYS A 43 66.474 -14.821 1.215 1.00 2.65 C ATOM 631 NZ LYS A 43 66.523 -16.133 0.511 1.00 2.98 N ATOM 0 H LYS A 43 67.513 -9.944 2.595 1.00 0.77 H new ATOM 0 HA LYS A 43 69.768 -11.096 1.113 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.723 -11.141 1.197 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.524 -11.832 -0.200 1.00 0.95 H new ATOM 0 HG2 LYS A 43 68.982 -12.836 2.018 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.308 -12.909 2.529 1.00 1.34 H new ATOM 0 HD2 LYS A 43 67.643 -13.780 -0.275 1.00 2.13 H new ATOM 0 HD3 LYS A 43 68.599 -14.748 0.829 1.00 2.13 H new ATOM 0 HE2 LYS A 43 66.457 -14.954 2.297 1.00 2.65 H new ATOM 0 HE3 LYS A 43 65.576 -14.263 0.949 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 65.688 -16.696 0.768 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 66.531 -15.975 -0.517 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 67.385 -16.644 0.789 1.00 2.98 H new ATOM 645 N VAL A 44 68.387 -8.474 -0.082 1.00 0.72 N ATOM 646 CA VAL A 44 68.446 -7.527 -1.232 1.00 0.93 C ATOM 647 C VAL A 44 69.772 -6.762 -1.226 1.00 0.89 C ATOM 648 O VAL A 44 70.232 -6.291 -2.247 1.00 1.06 O ATOM 649 CB VAL A 44 67.276 -6.566 -1.016 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.394 -5.390 -1.986 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.958 -7.304 -1.267 1.00 1.80 C ATOM 0 H VAL A 44 67.931 -8.112 0.755 1.00 0.72 H new ATOM 0 HA VAL A 44 68.382 -8.042 -2.190 1.00 0.93 H new ATOM 0 HB VAL A 44 67.296 -6.194 0.008 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.560 -4.706 -1.831 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.332 -4.864 -1.808 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.374 -5.760 -3.011 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.123 -6.620 -1.113 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.939 -7.676 -2.291 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.873 -8.142 -0.575 1.00 1.80 H new ATOM 661 N MET A 45 70.386 -6.628 -0.083 1.00 0.86 N ATOM 662 CA MET A 45 71.680 -5.888 -0.014 1.00 1.06 C ATOM 663 C MET A 45 72.842 -6.784 -0.453 1.00 1.08 C ATOM 664 O MET A 45 73.620 -6.428 -1.316 1.00 1.14 O ATOM 665 CB MET A 45 71.832 -5.499 1.457 1.00 1.34 C ATOM 666 CG MET A 45 71.684 -3.984 1.604 1.00 1.88 C ATOM 667 SD MET A 45 72.765 -3.399 2.934 1.00 2.45 S ATOM 668 CE MET A 45 74.309 -3.406 1.990 1.00 3.35 C ATOM 0 H MET A 45 70.049 -6.998 0.806 1.00 0.86 H new ATOM 0 HA MET A 45 71.690 -5.021 -0.674 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.079 -6.008 2.058 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.806 -5.817 1.829 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.942 -3.490 0.667 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.647 -3.729 1.824 1.00 1.88 H new ATOM 0 HE1 MET A 45 75.138 -3.141 2.646 1.00 3.35 H new ATOM 0 HE2 MET A 45 74.478 -4.400 1.576 1.00 3.35 H new ATOM 0 HE3 MET A 45 74.243 -2.681 1.179 1.00 3.35 H new ATOM 678 N ARG A 46 72.973 -7.938 0.143 1.00 1.20 N ATOM 679 CA ARG A 46 74.094 -8.849 -0.233 1.00 1.46 C ATOM 680 C ARG A 46 73.954 -9.309 -1.686 1.00 1.52 C ATOM 681 O ARG A 46 74.929 -9.605 -2.348 1.00 1.73 O ATOM 682 CB ARG A 46 73.973 -10.040 0.719 1.00 1.74 C ATOM 683 CG ARG A 46 75.269 -10.852 0.682 1.00 1.93 C ATOM 684 CD ARG A 46 74.954 -12.329 0.926 1.00 2.48 C ATOM 685 NE ARG A 46 74.166 -12.351 2.190 1.00 2.64 N ATOM 686 CZ ARG A 46 73.915 -13.486 2.782 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.374 -14.466 2.110 1.00 3.64 N ATOM 688 NH2 ARG A 46 74.205 -13.641 4.045 1.00 3.41 N ATOM 0 H ARG A 46 72.354 -8.290 0.873 1.00 1.20 H new ATOM 0 HA ARG A 46 75.063 -8.356 -0.154 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.778 -9.691 1.733 1.00 1.74 H new ATOM 0 HB3 ARG A 46 73.129 -10.667 0.430 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.760 -10.729 -0.283 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.961 -10.487 1.441 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.385 -12.753 0.099 1.00 2.48 H new ATOM 0 HD3 ARG A 46 75.867 -12.917 1.020 1.00 2.48 H new ATOM 0 HE ARG A 46 73.823 -11.479 2.592 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.148 -14.344 1.123 1.00 3.64 H new ATOM 0 HH12 ARG A 46 73.177 -15.354 2.572 1.00 3.64 H new ATOM 0 HH21 ARG A 46 74.628 -12.875 4.569 1.00 3.41 H new ATOM 0 HH22 ARG A 46 74.009 -14.528 4.508 1.00 3.41 H new ATOM 702 N MET A 47 72.752 -9.379 -2.190 1.00 1.46 N ATOM 703 CA MET A 47 72.566 -9.827 -3.600 1.00 1.73 C ATOM 704 C MET A 47 73.200 -8.820 -4.565 1.00 1.75 C ATOM 705 O MET A 47 73.625 -9.167 -5.648 1.00 2.01 O ATOM 706 CB MET A 47 71.050 -9.893 -3.802 1.00 1.70 C ATOM 707 CG MET A 47 70.489 -8.479 -3.968 1.00 1.96 C ATOM 708 SD MET A 47 70.470 -8.041 -5.724 1.00 1.94 S ATOM 709 CE MET A 47 69.291 -9.304 -6.261 1.00 1.52 C ATOM 0 H MET A 47 71.894 -9.147 -1.689 1.00 1.46 H new ATOM 0 HA MET A 47 73.041 -10.789 -3.793 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.817 -10.493 -4.682 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.581 -10.383 -2.949 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.481 -8.426 -3.558 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.098 -7.767 -3.411 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.779 -9.983 -6.960 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.939 -9.865 -5.395 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.444 -8.825 -6.752 1.00 1.52 H new ATOM 719 N LEU A 48 73.266 -7.575 -4.179 1.00 1.60 N ATOM 720 CA LEU A 48 73.872 -6.548 -5.075 1.00 1.69 C ATOM 721 C LEU A 48 75.398 -6.671 -5.065 1.00 1.68 C ATOM 722 O LEU A 48 76.083 -6.070 -5.868 1.00 1.99 O ATOM 723 CB LEU A 48 73.436 -5.206 -4.487 1.00 1.73 C ATOM 724 CG LEU A 48 71.911 -5.112 -4.505 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.462 -3.915 -3.663 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.429 -4.929 -5.947 1.00 2.15 C ATOM 0 H LEU A 48 72.927 -7.224 -3.283 1.00 1.60 H new ATOM 0 HA LEU A 48 73.553 -6.662 -6.111 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.805 -5.107 -3.466 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.868 -4.387 -5.062 1.00 1.73 H new ATOM 0 HG LEU A 48 71.486 -6.027 -4.091 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.374 -3.848 -3.676 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.805 -4.043 -2.636 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.887 -3.000 -4.076 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.341 -4.862 -5.961 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.855 -4.014 -6.360 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.748 -5.781 -6.548 1.00 2.15 H new ATOM 738 N GLY A 49 75.934 -7.446 -4.164 1.00 1.63 N ATOM 739 CA GLY A 49 77.415 -7.605 -4.105 1.00 1.87 C ATOM 740 C GLY A 49 77.928 -7.113 -2.752 1.00 1.54 C ATOM 741 O GLY A 49 79.044 -6.651 -2.630 1.00 1.53 O ATOM 0 H GLY A 49 75.412 -7.976 -3.466 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.685 -8.651 -4.249 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.884 -7.040 -4.911 1.00 1.87 H new ATOM 745 N GLN A 50 77.119 -7.206 -1.732 1.00 1.37 N ATOM 746 CA GLN A 50 77.559 -6.741 -0.386 1.00 1.17 C ATOM 747 C GLN A 50 77.512 -7.897 0.616 1.00 1.24 C ATOM 748 O GLN A 50 77.198 -9.019 0.271 1.00 1.75 O ATOM 749 CB GLN A 50 76.558 -5.653 0.004 1.00 1.29 C ATOM 750 CG GLN A 50 76.448 -4.630 -1.129 1.00 1.28 C ATOM 751 CD GLN A 50 77.728 -3.793 -1.187 1.00 1.41 C ATOM 752 OE1 GLN A 50 78.690 -4.175 -1.824 1.00 1.89 O ATOM 753 NE2 GLN A 50 77.780 -2.659 -0.544 1.00 1.85 N ATOM 0 H GLN A 50 76.172 -7.584 -1.773 1.00 1.37 H new ATOM 0 HA GLN A 50 78.584 -6.369 -0.393 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.582 -6.096 0.204 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.879 -5.161 0.922 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.291 -5.140 -2.080 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.585 -3.984 -0.967 1.00 1.28 H new ATOM 0 HE21 GLN A 50 76.973 -2.338 -0.009 1.00 1.85 H new ATOM 0 HE22 GLN A 50 78.628 -2.093 -0.576 1.00 1.85 H new ATOM 762 N ASN A 51 77.823 -7.631 1.855 1.00 1.18 N ATOM 763 CA ASN A 51 77.797 -8.712 2.881 1.00 1.29 C ATOM 764 C ASN A 51 77.696 -8.104 4.282 1.00 1.07 C ATOM 765 O ASN A 51 78.476 -8.423 5.156 1.00 1.45 O ATOM 766 CB ASN A 51 79.123 -9.452 2.710 1.00 1.96 C ATOM 767 CG ASN A 51 78.894 -10.955 2.868 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.568 -11.634 1.914 1.00 3.07 O ATOM 769 ND2 ASN A 51 79.052 -11.507 4.039 1.00 3.29 N ATOM 0 H ASN A 51 78.094 -6.711 2.202 1.00 1.18 H new ATOM 0 HA ASN A 51 76.942 -9.378 2.761 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.546 -9.239 1.728 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.844 -9.104 3.450 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.902 -12.509 4.155 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.326 -10.936 4.839 1.00 3.29 H new ATOM 776 N PRO A 52 76.731 -7.241 4.443 1.00 1.47 N ATOM 777 CA PRO A 52 76.516 -6.569 5.748 1.00 2.11 C ATOM 778 C PRO A 52 75.946 -7.552 6.773 1.00 1.79 C ATOM 779 O PRO A 52 75.996 -8.753 6.593 1.00 2.07 O ATOM 780 CB PRO A 52 75.504 -5.472 5.422 1.00 2.97 C ATOM 781 CG PRO A 52 74.786 -5.959 4.205 1.00 2.97 C ATOM 782 CD PRO A 52 75.757 -6.814 3.433 1.00 2.03 C ATOM 0 HA PRO A 52 77.435 -6.179 6.185 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.814 -5.313 6.250 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.000 -4.520 5.233 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.902 -6.534 4.483 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.443 -5.121 3.598 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.259 -7.667 2.972 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.234 -6.252 2.630 1.00 2.03 H new ATOM 790 N THR A 53 75.406 -7.051 7.850 1.00 1.42 N ATOM 791 CA THR A 53 74.836 -7.954 8.890 1.00 1.16 C ATOM 792 C THR A 53 73.408 -7.524 9.239 1.00 0.98 C ATOM 793 O THR A 53 72.967 -6.461 8.849 1.00 0.92 O ATOM 794 CB THR A 53 75.756 -7.795 10.101 1.00 1.19 C ATOM 795 OG1 THR A 53 76.257 -6.466 10.140 1.00 1.40 O ATOM 796 CG2 THR A 53 76.922 -8.779 9.991 1.00 1.36 C ATOM 0 H THR A 53 75.335 -6.054 8.055 1.00 1.42 H new ATOM 0 HA THR A 53 74.782 -8.989 8.553 1.00 1.16 H new ATOM 0 HB THR A 53 75.196 -8.000 11.013 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.846 -6.361 10.916 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.577 -8.665 10.855 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.536 -9.798 9.960 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.484 -8.576 9.080 1.00 1.36 H new ATOM 804 N PRO A 54 72.735 -8.371 9.968 1.00 0.99 N ATOM 805 CA PRO A 54 71.340 -8.083 10.381 1.00 1.04 C ATOM 806 C PRO A 54 71.314 -7.016 11.480 1.00 0.93 C ATOM 807 O PRO A 54 70.417 -6.199 11.543 1.00 0.94 O ATOM 808 CB PRO A 54 70.840 -9.423 10.912 1.00 1.19 C ATOM 809 CG PRO A 54 72.072 -10.159 11.335 1.00 1.18 C ATOM 810 CD PRO A 54 73.205 -9.665 10.472 1.00 1.10 C ATOM 0 HA PRO A 54 70.725 -7.695 9.569 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.156 -9.285 11.750 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.296 -9.973 10.144 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.285 -9.979 12.389 1.00 1.18 H new ATOM 0 HG3 PRO A 54 71.938 -11.234 11.216 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.126 -9.558 11.046 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.416 -10.357 9.657 1.00 1.10 H new ATOM 818 N GLU A 55 72.290 -7.017 12.346 1.00 0.98 N ATOM 819 CA GLU A 55 72.318 -6.000 13.438 1.00 1.08 C ATOM 820 C GLU A 55 72.623 -4.615 12.864 1.00 0.97 C ATOM 821 O GLU A 55 72.171 -3.608 13.372 1.00 1.01 O ATOM 822 CB GLU A 55 73.441 -6.449 14.373 1.00 1.28 C ATOM 823 CG GLU A 55 73.732 -5.341 15.388 1.00 2.15 C ATOM 824 CD GLU A 55 75.030 -5.657 16.134 1.00 2.57 C ATOM 825 OE1 GLU A 55 75.725 -6.567 15.714 1.00 3.14 O ATOM 826 OE2 GLU A 55 75.307 -4.981 17.111 1.00 2.81 O ATOM 0 H GLU A 55 73.068 -7.676 12.346 1.00 0.98 H new ATOM 0 HA GLU A 55 71.361 -5.927 13.956 1.00 1.08 H new ATOM 0 HB2 GLU A 55 73.154 -7.365 14.890 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.339 -6.676 13.798 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.818 -4.381 14.879 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.906 -5.255 16.094 1.00 2.15 H new ATOM 833 N GLU A 56 73.389 -4.555 11.810 1.00 0.92 N ATOM 834 CA GLU A 56 73.726 -3.235 11.205 1.00 0.94 C ATOM 835 C GLU A 56 72.555 -2.723 10.360 1.00 0.84 C ATOM 836 O GLU A 56 72.176 -1.572 10.442 1.00 0.94 O ATOM 837 CB GLU A 56 74.948 -3.503 10.325 1.00 1.06 C ATOM 838 CG GLU A 56 75.562 -2.175 9.884 1.00 1.60 C ATOM 839 CD GLU A 56 76.712 -2.441 8.911 1.00 1.83 C ATOM 840 OE1 GLU A 56 76.453 -2.504 7.720 1.00 2.50 O ATOM 841 OE2 GLU A 56 77.832 -2.581 9.372 1.00 2.08 O ATOM 0 H GLU A 56 73.797 -5.364 11.341 1.00 0.92 H new ATOM 0 HA GLU A 56 73.926 -2.474 11.960 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.683 -4.091 10.875 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.659 -4.089 9.453 1.00 1.06 H new ATOM 0 HG2 GLU A 56 74.805 -1.553 9.407 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.926 -1.625 10.752 1.00 1.60 H new ATOM 848 N LEU A 57 71.981 -3.569 9.549 1.00 0.73 N ATOM 849 CA LEU A 57 70.836 -3.127 8.701 1.00 0.78 C ATOM 850 C LEU A 57 69.811 -2.364 9.545 1.00 0.80 C ATOM 851 O LEU A 57 69.579 -1.188 9.344 1.00 0.89 O ATOM 852 CB LEU A 57 70.226 -4.417 8.153 1.00 0.85 C ATOM 853 CG LEU A 57 71.123 -4.980 7.049 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.847 -6.475 6.878 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.827 -4.254 5.735 1.00 1.10 C ATOM 0 H LEU A 57 72.254 -4.545 9.436 1.00 0.73 H new ATOM 0 HA LEU A 57 71.151 -2.454 7.903 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.116 -5.148 8.954 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.228 -4.221 7.760 1.00 0.85 H new ATOM 0 HG LEU A 57 72.169 -4.833 7.320 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.486 -6.875 6.091 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.056 -6.993 7.814 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.802 -6.623 6.607 1.00 1.30 H new ATOM 0 HD21 LEU A 57 71.465 -4.654 4.947 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.781 -4.402 5.465 1.00 1.10 H new ATOM 0 HD23 LEU A 57 71.023 -3.189 5.856 1.00 1.10 H new ATOM 867 N GLN A 58 69.195 -3.024 10.487 1.00 0.81 N ATOM 868 CA GLN A 58 68.184 -2.336 11.341 1.00 0.95 C ATOM 869 C GLN A 58 68.760 -1.032 11.901 1.00 0.99 C ATOM 870 O GLN A 58 68.158 0.018 11.798 1.00 1.13 O ATOM 871 CB GLN A 58 67.885 -3.320 12.473 1.00 1.09 C ATOM 872 CG GLN A 58 66.976 -2.651 13.506 1.00 1.25 C ATOM 873 CD GLN A 58 65.513 -2.878 13.122 1.00 1.41 C ATOM 874 OE1 GLN A 58 64.805 -3.611 13.783 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.025 -2.275 12.072 1.00 1.74 N ATOM 0 H GLN A 58 69.347 -4.009 10.703 1.00 0.81 H new ATOM 0 HA GLN A 58 67.286 -2.071 10.783 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.404 -4.213 12.075 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.814 -3.641 12.944 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.171 -3.061 14.497 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.188 -1.583 13.556 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.618 -1.659 11.516 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.051 -2.420 11.808 1.00 1.74 H new ATOM 884 N GLU A 59 69.921 -1.092 12.493 1.00 0.97 N ATOM 885 CA GLU A 59 70.532 0.145 13.060 1.00 1.14 C ATOM 886 C GLU A 59 70.748 1.183 11.955 1.00 1.11 C ATOM 887 O GLU A 59 70.613 2.371 12.172 1.00 1.18 O ATOM 888 CB GLU A 59 71.873 -0.305 13.643 1.00 1.23 C ATOM 889 CG GLU A 59 72.522 0.863 14.388 1.00 1.60 C ATOM 890 CD GLU A 59 73.994 0.542 14.658 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.251 -0.439 15.337 1.00 2.77 O ATOM 892 OE2 GLU A 59 74.838 1.283 14.182 1.00 2.75 O ATOM 0 H GLU A 59 70.473 -1.942 12.609 1.00 0.97 H new ATOM 0 HA GLU A 59 69.897 0.611 13.813 1.00 1.14 H new ATOM 0 HB2 GLU A 59 71.723 -1.145 14.321 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.530 -0.652 12.846 1.00 1.23 H new ATOM 0 HG2 GLU A 59 72.440 1.775 13.797 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.000 1.044 15.328 1.00 1.60 H new ATOM 899 N MET A 60 71.082 0.745 10.771 1.00 1.11 N ATOM 900 CA MET A 60 71.306 1.710 9.656 1.00 1.18 C ATOM 901 C MET A 60 70.030 2.516 9.394 1.00 1.13 C ATOM 902 O MET A 60 70.036 3.731 9.416 1.00 1.25 O ATOM 903 CB MET A 60 71.650 0.844 8.443 1.00 1.22 C ATOM 904 CG MET A 60 73.142 0.972 8.131 1.00 1.62 C ATOM 905 SD MET A 60 73.520 0.069 6.608 1.00 1.82 S ATOM 906 CE MET A 60 74.643 1.295 5.891 1.00 2.02 C ATOM 0 H MET A 60 71.209 -0.237 10.528 1.00 1.11 H new ATOM 0 HA MET A 60 72.096 2.426 9.882 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.398 -0.197 8.643 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.059 1.155 7.581 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.412 2.022 8.020 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.732 0.576 8.957 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.243 0.826 5.111 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.063 2.112 5.461 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.299 1.686 6.669 1.00 2.02 H new ATOM 916 N ILE A 61 68.937 1.848 9.150 1.00 1.04 N ATOM 917 CA ILE A 61 67.661 2.574 8.890 1.00 1.11 C ATOM 918 C ILE A 61 67.227 3.343 10.141 1.00 1.23 C ATOM 919 O ILE A 61 66.824 4.486 10.072 1.00 1.40 O ATOM 920 CB ILE A 61 66.648 1.480 8.552 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.887 0.990 7.122 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.228 2.038 8.668 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.364 -0.463 7.153 1.00 1.14 C ATOM 0 H ILE A 61 68.871 0.831 9.119 1.00 1.04 H new ATOM 0 HA ILE A 61 67.755 3.305 8.087 1.00 1.11 H new ATOM 0 HB ILE A 61 66.767 0.650 9.248 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.968 1.070 6.541 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.631 1.618 6.631 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.509 1.255 8.426 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.056 2.387 9.686 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.106 2.870 7.974 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.534 -0.812 6.134 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.293 -0.529 7.719 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.605 -1.085 7.628 1.00 1.14 H new ATOM 935 N ASP A 62 67.309 2.721 11.285 1.00 1.23 N ATOM 936 CA ASP A 62 66.902 3.412 12.543 1.00 1.43 C ATOM 937 C ASP A 62 67.419 4.853 12.551 1.00 1.48 C ATOM 938 O ASP A 62 66.838 5.727 13.166 1.00 1.67 O ATOM 939 CB ASP A 62 67.555 2.604 13.665 1.00 1.51 C ATOM 940 CG ASP A 62 67.421 3.364 14.987 1.00 1.54 C ATOM 941 OD1 ASP A 62 68.082 4.379 15.133 1.00 1.79 O ATOM 942 OD2 ASP A 62 66.660 2.918 15.829 1.00 2.13 O ATOM 0 H ASP A 62 67.640 1.764 11.404 1.00 1.23 H new ATOM 0 HA ASP A 62 65.819 3.465 12.652 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.081 1.626 13.746 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.607 2.431 13.438 1.00 1.51 H new ATOM 947 N GLU A 63 68.506 5.110 11.878 1.00 1.41 N ATOM 948 CA GLU A 63 69.057 6.495 11.852 1.00 1.52 C ATOM 949 C GLU A 63 68.427 7.295 10.708 1.00 1.47 C ATOM 950 O GLU A 63 67.848 8.342 10.916 1.00 1.80 O ATOM 951 CB GLU A 63 70.559 6.313 11.625 1.00 1.55 C ATOM 952 CG GLU A 63 71.172 7.632 11.157 1.00 2.11 C ATOM 953 CD GLU A 63 72.355 7.993 12.056 1.00 2.26 C ATOM 954 OE1 GLU A 63 72.219 7.860 13.261 1.00 2.93 O ATOM 955 OE2 GLU A 63 73.378 8.393 11.524 1.00 2.32 O ATOM 0 H GLU A 63 69.037 4.421 11.345 1.00 1.41 H new ATOM 0 HA GLU A 63 68.847 7.044 12.770 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.039 5.985 12.547 1.00 1.55 H new ATOM 0 HB3 GLU A 63 70.733 5.536 10.881 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.502 7.545 10.122 1.00 2.11 H new ATOM 0 HG3 GLU A 63 70.424 8.424 11.187 1.00 2.11 H new ATOM 962 N VAL A 64 68.535 6.811 9.501 1.00 1.33 N ATOM 963 CA VAL A 64 67.941 7.545 8.348 1.00 1.29 C ATOM 964 C VAL A 64 66.413 7.498 8.423 1.00 1.21 C ATOM 965 O VAL A 64 65.729 8.349 7.890 1.00 1.50 O ATOM 966 CB VAL A 64 68.442 6.803 7.108 1.00 1.40 C ATOM 967 CG1 VAL A 64 69.942 6.536 7.242 1.00 1.69 C ATOM 968 CG2 VAL A 64 67.699 5.471 6.976 1.00 1.31 C ATOM 0 H VAL A 64 69.009 5.939 9.263 1.00 1.33 H new ATOM 0 HA VAL A 64 68.225 8.597 8.336 1.00 1.29 H new ATOM 0 HB VAL A 64 68.259 7.413 6.223 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.298 6.007 6.358 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.473 7.483 7.337 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.126 5.927 8.127 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.055 4.942 6.092 1.00 1.31 H new ATOM 0 HG22 VAL A 64 67.882 4.863 7.862 1.00 1.31 H new ATOM 0 HG23 VAL A 64 66.630 5.659 6.880 1.00 1.31 H new ATOM 978 N ASP A 65 65.872 6.506 9.077 1.00 1.27 N ATOM 979 CA ASP A 65 64.389 6.404 9.183 1.00 1.38 C ATOM 980 C ASP A 65 63.868 7.339 10.278 1.00 2.07 C ATOM 981 O ASP A 65 64.318 7.301 11.405 1.00 2.61 O ATOM 982 CB ASP A 65 64.119 4.945 9.553 1.00 1.38 C ATOM 983 CG ASP A 65 62.727 4.543 9.065 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.190 5.246 8.224 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.220 3.539 9.538 1.00 2.59 O ATOM 0 H ASP A 65 66.393 5.762 9.542 1.00 1.27 H new ATOM 0 HA ASP A 65 63.889 6.691 8.258 1.00 1.38 H new ATOM 0 HB2 ASP A 65 64.874 4.299 9.104 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.189 4.814 10.633 1.00 1.38 H new ATOM 990 N GLU A 66 62.921 8.175 9.954 1.00 2.65 N ATOM 991 CA GLU A 66 62.371 9.109 10.979 1.00 3.74 C ATOM 992 C GLU A 66 60.995 8.628 11.446 1.00 4.00 C ATOM 993 O GLU A 66 60.248 9.358 12.067 1.00 4.93 O ATOM 994 CB GLU A 66 62.256 10.457 10.265 1.00 4.58 C ATOM 995 CG GLU A 66 61.377 10.303 9.023 1.00 5.25 C ATOM 996 CD GLU A 66 62.263 10.214 7.779 1.00 6.17 C ATOM 997 OE1 GLU A 66 62.854 11.220 7.423 1.00 6.61 O ATOM 998 OE2 GLU A 66 62.334 9.139 7.204 1.00 6.67 O ATOM 0 H GLU A 66 62.504 8.253 9.026 1.00 2.65 H new ATOM 0 HA GLU A 66 63.003 9.171 11.865 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.828 11.201 10.937 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.245 10.816 9.981 1.00 4.58 H new ATOM 0 HG2 GLU A 66 60.761 9.408 9.109 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.697 11.151 8.938 1.00 5.25 H new ATOM 1005 N ASP A 67 60.655 7.403 11.152 1.00 3.32 N ATOM 1006 CA ASP A 67 59.328 6.874 11.578 1.00 3.69 C ATOM 1007 C ASP A 67 59.507 5.610 12.425 1.00 3.25 C ATOM 1008 O ASP A 67 58.551 4.961 12.799 1.00 3.49 O ATOM 1009 CB ASP A 67 58.594 6.546 10.277 1.00 3.68 C ATOM 1010 CG ASP A 67 59.541 5.808 9.326 1.00 3.08 C ATOM 1011 OD1 ASP A 67 59.776 4.632 9.551 1.00 2.33 O ATOM 1012 OD2 ASP A 67 60.011 6.432 8.389 1.00 3.83 O ATOM 0 H ASP A 67 61.239 6.745 10.635 1.00 3.32 H new ATOM 0 HA ASP A 67 58.777 7.590 12.188 1.00 3.69 H new ATOM 0 HB2 ASP A 67 57.719 5.930 10.486 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.234 7.462 9.810 1.00 3.68 H new ATOM 1017 N GLY A 68 60.726 5.256 12.729 1.00 2.98 N ATOM 1018 CA GLY A 68 60.965 4.036 13.550 1.00 3.17 C ATOM 1019 C GLY A 68 60.107 2.886 13.019 1.00 2.42 C ATOM 1020 O GLY A 68 59.185 2.435 13.671 1.00 3.05 O ATOM 0 H GLY A 68 61.566 5.759 12.444 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.020 3.763 13.516 1.00 3.17 H new ATOM 0 HA3 GLY A 68 60.721 4.234 14.594 1.00 3.17 H new ATOM 1024 N SER A 69 60.400 2.408 11.841 1.00 1.46 N ATOM 1025 CA SER A 69 59.599 1.288 11.270 1.00 1.52 C ATOM 1026 C SER A 69 60.522 0.153 10.817 1.00 1.64 C ATOM 1027 O SER A 69 60.206 -1.012 10.960 1.00 2.49 O ATOM 1028 CB SER A 69 58.870 1.893 10.071 1.00 2.44 C ATOM 1029 OG SER A 69 59.824 2.315 9.105 1.00 2.71 O ATOM 0 H SER A 69 61.159 2.744 11.249 1.00 1.46 H new ATOM 0 HA SER A 69 58.907 0.864 11.998 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.193 1.159 9.634 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.260 2.738 10.390 1.00 2.44 H new ATOM 0 HG SER A 69 60.272 3.127 9.421 1.00 2.71 H new ATOM 1035 N GLY A 70 61.660 0.483 10.270 1.00 1.28 N ATOM 1036 CA GLY A 70 62.599 -0.576 9.807 1.00 1.43 C ATOM 1037 C GLY A 70 62.265 -0.959 8.364 1.00 1.29 C ATOM 1038 O GLY A 70 62.710 -1.972 7.862 1.00 1.59 O ATOM 0 H GLY A 70 61.980 1.441 10.124 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.627 -0.219 9.871 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.525 -1.451 10.453 1.00 1.43 H new ATOM 1042 N THR A 71 61.483 -0.158 7.693 1.00 0.89 N ATOM 1043 CA THR A 71 61.121 -0.479 6.283 1.00 0.79 C ATOM 1044 C THR A 71 61.810 0.493 5.321 1.00 0.76 C ATOM 1045 O THR A 71 61.885 1.679 5.568 1.00 0.83 O ATOM 1046 CB THR A 71 59.602 -0.310 6.213 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.263 1.041 6.494 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.937 -1.229 7.239 1.00 1.08 C ATOM 0 H THR A 71 61.079 0.704 8.060 1.00 0.89 H new ATOM 0 HA THR A 71 61.435 -1.483 5.999 1.00 0.79 H new ATOM 0 HB THR A 71 59.253 -0.572 5.214 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.399 1.221 7.448 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.855 -1.108 7.188 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.197 -2.265 7.022 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.285 -0.970 8.239 1.00 1.08 H new ATOM 1056 N VAL A 72 62.310 -0.004 4.221 1.00 0.73 N ATOM 1057 CA VAL A 72 62.989 0.889 3.239 1.00 0.77 C ATOM 1058 C VAL A 72 62.248 0.843 1.899 1.00 0.80 C ATOM 1059 O VAL A 72 62.170 -0.186 1.257 1.00 1.00 O ATOM 1060 CB VAL A 72 64.403 0.322 3.099 1.00 0.85 C ATOM 1061 CG1 VAL A 72 65.050 0.852 1.817 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.241 0.749 4.307 1.00 1.13 C ATOM 0 H VAL A 72 62.277 -0.990 3.961 1.00 0.73 H new ATOM 0 HA VAL A 72 63.004 1.931 3.560 1.00 0.77 H new ATOM 0 HB VAL A 72 64.353 -0.766 3.052 1.00 0.85 H new ATOM 0 HG11 VAL A 72 66.057 0.445 1.722 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.454 0.549 0.956 1.00 1.13 H new ATOM 0 HG13 VAL A 72 65.101 1.940 1.858 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.249 0.347 4.211 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.287 1.837 4.352 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.784 0.368 5.220 1.00 1.13 H new ATOM 1072 N ASP A 73 61.697 1.947 1.475 1.00 0.77 N ATOM 1073 CA ASP A 73 60.956 1.960 0.181 1.00 0.83 C ATOM 1074 C ASP A 73 61.859 2.454 -0.952 1.00 0.87 C ATOM 1075 O ASP A 73 63.055 2.594 -0.794 1.00 0.87 O ATOM 1076 CB ASP A 73 59.792 2.928 0.401 1.00 0.85 C ATOM 1077 CG ASP A 73 60.333 4.300 0.802 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.060 4.882 0.014 1.00 2.57 O ATOM 1079 OD2 ASP A 73 60.011 4.746 1.891 1.00 2.47 O ATOM 0 H ASP A 73 61.727 2.840 1.967 1.00 0.77 H new ATOM 0 HA ASP A 73 60.614 0.965 -0.104 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.199 3.012 -0.510 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.130 2.546 1.178 1.00 0.85 H new ATOM 1084 N PHE A 74 61.290 2.714 -2.097 1.00 0.94 N ATOM 1085 CA PHE A 74 62.102 3.195 -3.253 1.00 0.98 C ATOM 1086 C PHE A 74 62.996 4.368 -2.833 1.00 0.86 C ATOM 1087 O PHE A 74 64.054 4.582 -3.391 1.00 0.83 O ATOM 1088 CB PHE A 74 61.066 3.641 -4.291 1.00 1.12 C ATOM 1089 CG PHE A 74 61.698 4.595 -5.280 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.927 4.279 -5.872 1.00 2.22 C ATOM 1091 CD2 PHE A 74 61.055 5.796 -5.601 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.511 5.165 -6.786 1.00 3.01 C ATOM 1093 CE2 PHE A 74 61.639 6.681 -6.515 1.00 2.84 C ATOM 1094 CZ PHE A 74 62.866 6.366 -7.108 1.00 3.18 C ATOM 0 H PHE A 74 60.292 2.614 -2.283 1.00 0.94 H new ATOM 0 HA PHE A 74 62.770 2.426 -3.642 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.668 2.772 -4.815 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.226 4.125 -3.793 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.424 3.353 -5.624 1.00 2.22 H new ATOM 0 HD2 PHE A 74 60.108 6.040 -5.143 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.459 4.922 -7.243 1.00 3.01 H new ATOM 0 HE2 PHE A 74 61.142 7.607 -6.762 1.00 2.84 H new ATOM 0 HZ PHE A 74 63.316 7.048 -7.814 1.00 3.18 H new ATOM 1104 N ASP A 75 62.579 5.135 -1.865 1.00 0.83 N ATOM 1105 CA ASP A 75 63.407 6.295 -1.425 1.00 0.76 C ATOM 1106 C ASP A 75 64.402 5.871 -0.341 1.00 0.69 C ATOM 1107 O ASP A 75 65.563 6.230 -0.375 1.00 0.65 O ATOM 1108 CB ASP A 75 62.405 7.306 -0.868 1.00 0.81 C ATOM 1109 CG ASP A 75 62.961 8.722 -1.034 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.733 9.308 -2.078 1.00 1.49 O ATOM 1111 OD2 ASP A 75 63.607 9.194 -0.112 1.00 1.57 O ATOM 0 H ASP A 75 61.702 5.010 -1.359 1.00 0.83 H new ATOM 0 HA ASP A 75 63.997 6.709 -2.243 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.452 7.215 -1.390 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.213 7.101 0.185 1.00 0.81 H new ATOM 1116 N GLU A 76 63.958 5.117 0.626 1.00 0.77 N ATOM 1117 CA GLU A 76 64.879 4.680 1.716 1.00 0.78 C ATOM 1118 C GLU A 76 65.967 3.753 1.164 1.00 0.70 C ATOM 1119 O GLU A 76 67.044 3.648 1.716 1.00 0.70 O ATOM 1120 CB GLU A 76 63.987 3.932 2.707 1.00 0.95 C ATOM 1121 CG GLU A 76 62.800 4.817 3.090 1.00 1.51 C ATOM 1122 CD GLU A 76 62.153 4.279 4.367 1.00 1.45 C ATOM 1123 OE1 GLU A 76 62.742 4.444 5.422 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.077 3.713 4.269 1.00 1.72 O ATOM 0 H GLU A 76 62.998 4.784 0.710 1.00 0.77 H new ATOM 0 HA GLU A 76 65.394 5.521 2.180 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.633 3.001 2.264 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.557 3.665 3.597 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.133 5.844 3.243 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.071 4.836 2.280 1.00 1.51 H new ATOM 1131 N PHE A 77 65.697 3.077 0.081 1.00 0.72 N ATOM 1132 CA PHE A 77 66.723 2.159 -0.495 1.00 0.73 C ATOM 1133 C PHE A 77 67.874 2.961 -1.109 1.00 0.67 C ATOM 1134 O PHE A 77 69.017 2.823 -0.719 1.00 0.69 O ATOM 1135 CB PHE A 77 65.990 1.362 -1.578 1.00 0.84 C ATOM 1136 CG PHE A 77 66.728 0.070 -1.855 1.00 0.97 C ATOM 1137 CD1 PHE A 77 68.070 -0.075 -1.475 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.068 -0.986 -2.496 1.00 1.83 C ATOM 1139 CE1 PHE A 77 68.748 -1.272 -1.734 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.747 -2.184 -2.755 1.00 2.03 C ATOM 1141 CZ PHE A 77 68.087 -2.326 -2.375 1.00 1.46 C ATOM 0 H PHE A 77 64.815 3.119 -0.429 1.00 0.72 H new ATOM 0 HA PHE A 77 67.159 1.509 0.264 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.971 1.147 -1.257 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.918 1.953 -2.491 1.00 0.84 H new ATOM 0 HD1 PHE A 77 68.581 0.738 -0.982 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.035 -0.877 -2.791 1.00 1.83 H new ATOM 0 HE1 PHE A 77 69.781 -1.382 -1.439 1.00 1.48 H new ATOM 0 HE2 PHE A 77 66.237 -2.998 -3.248 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.611 -3.249 -2.577 1.00 1.46 H new ATOM 1151 N LEU A 78 67.585 3.796 -2.069 1.00 0.66 N ATOM 1152 CA LEU A 78 68.669 4.600 -2.706 1.00 0.68 C ATOM 1153 C LEU A 78 69.296 5.551 -1.683 1.00 0.62 C ATOM 1154 O LEU A 78 70.398 6.029 -1.861 1.00 0.64 O ATOM 1155 CB LEU A 78 67.978 5.385 -3.823 1.00 0.77 C ATOM 1156 CG LEU A 78 67.193 4.427 -4.725 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.859 5.126 -6.043 1.00 1.55 C ATOM 1158 CD2 LEU A 78 68.037 3.181 -5.017 1.00 1.41 C ATOM 0 H LEU A 78 66.648 3.957 -2.440 1.00 0.66 H new ATOM 0 HA LEU A 78 69.476 3.975 -3.089 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.306 6.128 -3.395 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.719 5.927 -4.411 1.00 0.77 H new ATOM 0 HG LEU A 78 66.273 4.133 -4.220 1.00 0.96 H new ATOM 0 HD11 LEU A 78 66.301 4.445 -6.685 1.00 1.55 H new ATOM 0 HD12 LEU A 78 66.256 6.012 -5.843 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.782 5.421 -6.543 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.475 2.503 -5.659 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.959 3.475 -5.519 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.279 2.678 -4.081 1.00 1.41 H new ATOM 1170 N VAL A 79 68.605 5.826 -0.611 1.00 0.59 N ATOM 1171 CA VAL A 79 69.165 6.743 0.423 1.00 0.61 C ATOM 1172 C VAL A 79 69.980 5.947 1.445 1.00 0.63 C ATOM 1173 O VAL A 79 71.029 6.373 1.887 1.00 0.68 O ATOM 1174 CB VAL A 79 67.947 7.380 1.089 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.389 8.153 2.333 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.274 8.341 0.107 1.00 0.70 C ATOM 0 H VAL A 79 67.677 5.456 -0.406 1.00 0.59 H new ATOM 0 HA VAL A 79 69.832 7.491 -0.005 1.00 0.61 H new ATOM 0 HB VAL A 79 67.243 6.600 1.377 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.519 8.607 2.807 1.00 0.73 H new ATOM 0 HG12 VAL A 79 68.870 7.470 3.034 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.094 8.933 2.045 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.405 8.796 0.581 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.980 9.120 -0.181 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.958 7.792 -0.780 1.00 0.70 H new ATOM 1186 N MET A 80 69.504 4.794 1.825 1.00 0.65 N ATOM 1187 CA MET A 80 70.248 3.970 2.821 1.00 0.72 C ATOM 1188 C MET A 80 71.467 3.313 2.167 1.00 0.71 C ATOM 1189 O MET A 80 72.447 3.017 2.822 1.00 0.76 O ATOM 1190 CB MET A 80 69.250 2.906 3.281 1.00 0.80 C ATOM 1191 CG MET A 80 69.930 1.968 4.278 1.00 1.12 C ATOM 1192 SD MET A 80 69.364 0.273 3.994 1.00 2.17 S ATOM 1193 CE MET A 80 70.997 -0.475 3.772 1.00 2.77 C ATOM 0 H MET A 80 68.632 4.386 1.489 1.00 0.65 H new ATOM 0 HA MET A 80 70.620 4.569 3.652 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.384 3.380 3.743 1.00 0.80 H new ATOM 0 HB3 MET A 80 68.884 2.340 2.424 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.013 2.025 4.167 1.00 1.12 H new ATOM 0 HG3 MET A 80 69.698 2.274 5.298 1.00 1.12 H new ATOM 0 HE1 MET A 80 71.220 -0.552 2.708 1.00 2.77 H new ATOM 0 HE2 MET A 80 71.750 0.146 4.257 1.00 2.77 H new ATOM 0 HE3 MET A 80 71.005 -1.470 4.217 1.00 2.77 H new ATOM 1203 N MET A 81 71.417 3.082 0.884 1.00 0.69 N ATOM 1204 CA MET A 81 72.578 2.443 0.200 1.00 0.74 C ATOM 1205 C MET A 81 73.669 3.489 -0.070 1.00 0.75 C ATOM 1206 O MET A 81 74.831 3.164 -0.221 1.00 0.82 O ATOM 1207 CB MET A 81 71.998 1.855 -1.101 1.00 0.73 C ATOM 1208 CG MET A 81 72.341 2.737 -2.310 1.00 0.89 C ATOM 1209 SD MET A 81 73.951 2.245 -2.977 1.00 1.41 S ATOM 1210 CE MET A 81 73.562 0.499 -3.251 1.00 1.21 C ATOM 0 H MET A 81 70.626 3.307 0.281 1.00 0.69 H new ATOM 0 HA MET A 81 73.052 1.666 0.799 1.00 0.74 H new ATOM 0 HB2 MET A 81 72.392 0.851 -1.257 1.00 0.73 H new ATOM 0 HB3 MET A 81 70.916 1.762 -1.011 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.572 2.638 -3.076 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.363 3.786 -2.014 1.00 0.89 H new ATOM 0 HE1 MET A 81 74.101 -0.112 -2.526 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.490 0.342 -3.132 1.00 1.21 H new ATOM 0 HE3 MET A 81 73.861 0.214 -4.260 1.00 1.21 H new ATOM 1220 N VAL A 82 73.304 4.741 -0.129 1.00 0.72 N ATOM 1221 CA VAL A 82 74.319 5.802 -0.387 1.00 0.78 C ATOM 1222 C VAL A 82 75.257 5.932 0.816 1.00 0.81 C ATOM 1223 O VAL A 82 76.463 5.957 0.677 1.00 0.93 O ATOM 1224 CB VAL A 82 73.515 7.087 -0.579 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.463 8.288 -0.576 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.773 7.028 -1.917 1.00 1.36 C ATOM 0 H VAL A 82 72.348 5.075 -0.010 1.00 0.72 H new ATOM 0 HA VAL A 82 74.939 5.579 -1.256 1.00 0.78 H new ATOM 0 HB VAL A 82 72.795 7.190 0.233 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.889 9.205 -0.713 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.993 8.331 0.375 1.00 1.08 H new ATOM 0 HG13 VAL A 82 75.183 8.186 -1.388 1.00 1.08 H new ATOM 0 HG21 VAL A 82 72.199 7.944 -2.055 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.494 6.925 -2.728 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.098 6.172 -1.921 1.00 1.36 H new ATOM 1236 N ARG A 83 74.709 6.015 1.998 1.00 0.79 N ATOM 1237 CA ARG A 83 75.566 6.142 3.212 1.00 0.85 C ATOM 1238 C ARG A 83 76.541 4.965 3.292 1.00 0.90 C ATOM 1239 O ARG A 83 77.674 5.111 3.704 1.00 1.00 O ATOM 1240 CB ARG A 83 74.591 6.110 4.389 1.00 0.87 C ATOM 1241 CG ARG A 83 74.245 7.541 4.803 1.00 1.07 C ATOM 1242 CD ARG A 83 73.356 7.511 6.050 1.00 0.92 C ATOM 1243 NE ARG A 83 74.188 6.859 7.098 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.769 7.583 8.014 1.00 1.83 C ATOM 1245 NH1 ARG A 83 75.688 8.446 7.676 1.00 2.14 N ATOM 1246 NH2 ARG A 83 74.432 7.446 9.267 1.00 2.49 N ATOM 0 H ARG A 83 73.705 6.000 2.176 1.00 0.79 H new ATOM 0 HA ARG A 83 76.165 7.053 3.203 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.685 5.572 4.110 1.00 0.87 H new ATOM 0 HB3 ARG A 83 75.035 5.574 5.228 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.157 8.103 5.007 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.731 8.052 3.989 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.061 8.517 6.349 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.439 6.950 5.868 1.00 0.92 H new ATOM 0 HE ARG A 83 74.304 5.846 7.100 1.00 1.62 H new ATOM 0 HH11 ARG A 83 75.951 8.554 6.696 1.00 2.14 H new ATOM 0 HH12 ARG A 83 76.143 9.013 8.391 1.00 2.14 H new ATOM 0 HH21 ARG A 83 73.713 6.772 9.531 1.00 2.49 H new ATOM 0 HH22 ARG A 83 74.887 8.013 9.982 1.00 2.49 H new ATOM 1260 N SER A 84 76.108 3.798 2.900 1.00 0.92 N ATOM 1261 CA SER A 84 77.010 2.611 2.952 1.00 1.01 C ATOM 1262 C SER A 84 78.293 2.888 2.162 1.00 1.06 C ATOM 1263 O SER A 84 79.383 2.580 2.603 1.00 1.38 O ATOM 1264 CB SER A 84 76.214 1.480 2.304 1.00 1.04 C ATOM 1265 OG SER A 84 74.849 1.588 2.684 1.00 1.52 O ATOM 0 H SER A 84 75.169 3.615 2.546 1.00 0.92 H new ATOM 0 HA SER A 84 77.311 2.364 3.970 1.00 1.01 H new ATOM 0 HB2 SER A 84 76.306 1.530 1.219 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.614 0.515 2.614 1.00 1.04 H new ATOM 0 HG SER A 84 74.367 0.782 2.403 1.00 1.52 H new ATOM 1271 N MET A 85 78.170 3.465 0.998 1.00 0.00 N ATOM 1272 CA MET A 85 79.382 3.760 0.181 1.00 0.00 C ATOM 1273 C MET A 85 80.403 4.545 1.009 1.00 0.00 C ATOM 1274 O MET A 85 81.275 3.980 1.638 1.00 0.00 O ATOM 1275 CB MET A 85 78.875 4.607 -0.986 1.00 0.00 C ATOM 1276 CG MET A 85 77.970 3.758 -1.879 1.00 0.00 C ATOM 1277 SD MET A 85 78.015 4.401 -3.570 1.00 0.00 S ATOM 1278 CE MET A 85 76.246 4.747 -3.727 1.00 0.00 C ATOM 0 H MET A 85 77.284 3.745 0.577 1.00 0.00 H new ATOM 0 HA MET A 85 79.881 2.852 -0.159 1.00 0.00 H new ATOM 0 HB2 MET A 85 78.326 5.471 -0.611 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.716 4.990 -1.563 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.299 2.719 -1.865 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.948 3.774 -1.500 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.859 4.266 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.721 4.360 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 85 76.091 5.824 -3.797 1.00 0.00 H new