USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 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 69 SER OG : rot -88:sc= 1.95 USER MOD Set 1.2: A 71 THR OG1 : rot -76:sc= 1.01 USER MOD Set 2.1: A 60 MET CE :methyl 163:sc= -0.0729 (180deg=-0.6) USER MOD Set 2.2: A 84 SER OG : rot -167:sc= 0 USER MOD Set 3.1: A 16 GLN : amide:sc= -0.71 X(o=-1.3,f=-1) USER MOD Set 3.2: A 85 MET CE :methyl 167:sc= -0.63 (180deg=-1.05) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00432 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.0453 (180deg=-0.51) USER MOD Single : A 18 ASN : amide:sc= -2.74! C(o=-2.7!,f=-4.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -9:sc= 1.27 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 39 LYS NZ :NH3+ -139:sc= -0.424 (180deg=-2.28!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= -0.019 (180deg=-0.019) USER MOD Single : A 47 MET CE :methyl -111:sc= -6.34! (180deg=-10.8!) USER MOD Single : A 50 GLN : amide:sc= -0.574 K(o=-0.57,f=-0.068) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 144:sc= -0.558 USER MOD Single : A 58 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.58) USER MOD Single : A 80 MET CE :methyl -162:sc= -5.26! (180deg=-8.75!) USER MOD Single : A 81 MET CE :methyl -132:sc= -2.24 (180deg=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 71.386 12.265 1.290 1.00 0.88 N ATOM 45 CA TYR A 5 71.370 10.972 0.546 1.00 0.86 C ATOM 46 C TYR A 5 70.642 11.143 -0.789 1.00 0.78 C ATOM 47 O TYR A 5 71.153 10.794 -1.835 1.00 0.79 O ATOM 48 CB TYR A 5 70.606 9.999 1.449 1.00 1.02 C ATOM 49 CG TYR A 5 71.064 10.166 2.879 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.301 9.652 3.283 1.00 1.94 C ATOM 51 CD2 TYR A 5 70.248 10.835 3.800 1.00 1.64 C ATOM 52 CE1 TYR A 5 72.723 9.808 4.610 1.00 2.20 C ATOM 53 CE2 TYR A 5 70.670 10.990 5.125 1.00 1.80 C ATOM 54 CZ TYR A 5 71.908 10.477 5.530 1.00 1.77 C ATOM 55 OH TYR A 5 72.325 10.629 6.837 1.00 2.07 O ATOM 0 HA TYR A 5 72.375 10.614 0.321 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.534 10.185 1.376 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.775 8.974 1.120 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.930 9.136 2.573 1.00 1.94 H new ATOM 0 HD2 TYR A 5 69.293 11.231 3.487 1.00 1.64 H new ATOM 0 HE1 TYR A 5 73.678 9.412 4.923 1.00 2.20 H new ATOM 0 HE2 TYR A 5 70.041 11.505 5.835 1.00 1.80 H new ATOM 0 HH TYR A 5 71.643 11.117 7.343 1.00 2.07 H new ATOM 65 N LYS A 6 69.452 11.679 -0.762 1.00 0.89 N ATOM 66 CA LYS A 6 68.692 11.872 -2.029 1.00 1.01 C ATOM 67 C LYS A 6 69.584 12.533 -3.083 1.00 0.98 C ATOM 68 O LYS A 6 69.759 12.021 -4.171 1.00 1.00 O ATOM 69 CB LYS A 6 67.529 12.793 -1.659 1.00 1.28 C ATOM 70 CG LYS A 6 66.747 12.185 -0.493 1.00 1.60 C ATOM 71 CD LYS A 6 67.009 12.996 0.777 1.00 2.04 C ATOM 72 CE LYS A 6 65.721 13.087 1.599 1.00 2.60 C ATOM 73 NZ LYS A 6 65.825 14.376 2.336 1.00 3.24 N ATOM 0 H LYS A 6 68.974 11.991 0.083 1.00 0.89 H new ATOM 0 HA LYS A 6 68.346 10.928 -2.450 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.905 13.778 -1.384 1.00 1.28 H new ATOM 0 HB3 LYS A 6 66.873 12.931 -2.518 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.681 12.180 -0.720 1.00 1.60 H new ATOM 0 HG3 LYS A 6 67.046 11.148 -0.343 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.796 12.525 1.366 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.359 13.995 0.518 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.841 13.070 0.957 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.631 12.246 2.286 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.977 14.510 2.923 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 66.668 14.361 2.944 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.903 15.159 1.656 1.00 3.24 H new ATOM 87 N ALA A 7 70.153 13.665 -2.769 1.00 1.07 N ATOM 88 CA ALA A 7 71.032 14.353 -3.757 1.00 1.20 C ATOM 89 C ALA A 7 72.061 13.368 -4.318 1.00 1.08 C ATOM 90 O ALA A 7 72.464 13.463 -5.461 1.00 1.19 O ATOM 91 CB ALA A 7 71.724 15.465 -2.968 1.00 1.36 C ATOM 0 H ALA A 7 70.048 14.142 -1.874 1.00 1.07 H new ATOM 0 HA ALA A 7 70.473 14.748 -4.606 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.391 16.019 -3.629 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.974 16.142 -2.559 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.301 15.028 -2.153 1.00 1.36 H new ATOM 97 N ALA A 8 72.483 12.420 -3.528 1.00 0.95 N ATOM 98 CA ALA A 8 73.477 11.428 -4.025 1.00 0.96 C ATOM 99 C ALA A 8 72.775 10.395 -4.909 1.00 0.90 C ATOM 100 O ALA A 8 73.275 10.004 -5.945 1.00 1.01 O ATOM 101 CB ALA A 8 74.045 10.766 -2.770 1.00 0.98 C ATOM 0 H ALA A 8 72.183 12.289 -2.562 1.00 0.95 H new ATOM 0 HA ALA A 8 74.262 11.888 -4.625 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.787 10.020 -3.056 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.514 11.522 -2.141 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.239 10.283 -2.217 1.00 0.98 H new ATOM 107 N VAL A 9 71.612 9.956 -4.508 1.00 0.83 N ATOM 108 CA VAL A 9 70.870 8.955 -5.323 1.00 0.82 C ATOM 109 C VAL A 9 70.432 9.578 -6.652 1.00 0.97 C ATOM 110 O VAL A 9 70.475 8.945 -7.688 1.00 1.02 O ATOM 111 CB VAL A 9 69.653 8.587 -4.476 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.645 7.821 -5.334 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.099 7.711 -3.302 1.00 0.70 C ATOM 0 H VAL A 9 71.144 10.249 -3.650 1.00 0.83 H new ATOM 0 HA VAL A 9 71.478 8.083 -5.567 1.00 0.82 H new ATOM 0 HB VAL A 9 69.185 9.495 -4.095 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.777 7.559 -4.729 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.329 8.446 -6.170 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.109 6.912 -5.716 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.233 7.447 -2.696 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.566 6.803 -3.683 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.816 8.259 -2.691 1.00 0.70 H new ATOM 123 N GLU A 10 70.014 10.814 -6.630 1.00 1.12 N ATOM 124 CA GLU A 10 69.577 11.473 -7.894 1.00 1.32 C ATOM 125 C GLU A 10 70.761 11.602 -8.856 1.00 1.37 C ATOM 126 O GLU A 10 70.593 11.825 -10.039 1.00 1.56 O ATOM 127 CB GLU A 10 69.069 12.856 -7.472 1.00 1.51 C ATOM 128 CG GLU A 10 70.237 13.715 -6.985 1.00 1.80 C ATOM 129 CD GLU A 10 69.902 15.195 -7.187 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.725 15.511 -7.249 1.00 2.28 O ATOM 131 OE2 GLU A 10 70.827 15.984 -7.279 1.00 2.61 O ATOM 0 H GLU A 10 69.956 11.395 -5.794 1.00 1.12 H new ATOM 0 HA GLU A 10 68.807 10.902 -8.413 1.00 1.32 H new ATOM 0 HB2 GLU A 10 68.574 13.343 -8.312 1.00 1.51 H new ATOM 0 HB3 GLU A 10 68.327 12.754 -6.680 1.00 1.51 H new ATOM 0 HG2 GLU A 10 70.434 13.516 -5.931 1.00 1.80 H new ATOM 0 HG3 GLU A 10 71.144 13.459 -7.533 1.00 1.80 H new ATOM 138 N GLN A 11 71.957 11.460 -8.355 1.00 1.29 N ATOM 139 CA GLN A 11 73.154 11.571 -9.235 1.00 1.45 C ATOM 140 C GLN A 11 73.582 10.184 -9.721 1.00 1.35 C ATOM 141 O GLN A 11 74.589 10.030 -10.382 1.00 1.53 O ATOM 142 CB GLN A 11 74.238 12.188 -8.350 1.00 1.61 C ATOM 143 CG GLN A 11 74.573 13.595 -8.850 1.00 2.13 C ATOM 144 CD GLN A 11 75.196 14.406 -7.713 1.00 2.44 C ATOM 145 OE1 GLN A 11 76.298 14.125 -7.284 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.534 15.407 -7.203 1.00 2.71 N ATOM 0 H GLN A 11 72.157 11.272 -7.373 1.00 1.29 H new ATOM 0 HA GLN A 11 72.961 12.173 -10.123 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.896 12.231 -7.316 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.132 11.564 -8.365 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.264 13.539 -9.691 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.671 14.089 -9.211 1.00 2.13 H new ATOM 0 HE21 GLN A 11 73.609 15.643 -7.563 1.00 2.71 H new ATOM 0 HE22 GLN A 11 74.941 15.954 -6.444 1.00 2.71 H new ATOM 155 N LEU A 12 72.824 9.172 -9.397 1.00 1.18 N ATOM 156 CA LEU A 12 73.187 7.795 -9.839 1.00 1.21 C ATOM 157 C LEU A 12 73.174 7.710 -11.368 1.00 1.11 C ATOM 158 O LEU A 12 73.145 8.712 -12.055 1.00 1.25 O ATOM 159 CB LEU A 12 72.109 6.888 -9.242 1.00 1.32 C ATOM 160 CG LEU A 12 72.522 6.459 -7.833 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.509 5.451 -7.290 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.907 5.811 -7.881 1.00 1.68 C ATOM 0 H LEU A 12 71.969 9.239 -8.845 1.00 1.18 H new ATOM 0 HA LEU A 12 74.187 7.507 -9.513 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.155 7.414 -9.208 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.967 6.011 -9.873 1.00 1.32 H new ATOM 0 HG LEU A 12 72.552 7.333 -7.182 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.803 5.145 -6.286 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.521 5.911 -7.255 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.480 4.578 -7.942 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.201 5.506 -6.877 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.878 4.937 -8.532 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.631 6.528 -8.268 1.00 1.68 H new ATOM 174 N THR A 13 73.195 6.522 -11.905 1.00 1.05 N ATOM 175 CA THR A 13 73.184 6.374 -13.388 1.00 1.13 C ATOM 176 C THR A 13 72.080 5.402 -13.813 1.00 0.94 C ATOM 177 O THR A 13 71.695 4.521 -13.070 1.00 0.87 O ATOM 178 CB THR A 13 74.561 5.807 -13.739 1.00 1.38 C ATOM 179 OG1 THR A 13 74.887 4.766 -12.828 1.00 1.89 O ATOM 180 CG2 THR A 13 75.610 6.916 -13.647 1.00 1.68 C ATOM 0 H THR A 13 73.219 5.647 -11.381 1.00 1.05 H new ATOM 0 HA THR A 13 72.990 7.318 -13.897 1.00 1.13 H new ATOM 0 HB THR A 13 74.544 5.411 -14.754 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.768 4.400 -13.052 1.00 1.89 H new ATOM 0 HG21 THR A 13 76.591 6.511 -13.897 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.358 7.714 -14.345 1.00 1.68 H new ATOM 0 HG23 THR A 13 75.630 7.315 -12.633 1.00 1.68 H new ATOM 188 N GLU A 14 71.569 5.554 -15.004 1.00 0.94 N ATOM 189 CA GLU A 14 70.491 4.638 -15.474 1.00 0.90 C ATOM 190 C GLU A 14 70.894 3.181 -15.231 1.00 0.82 C ATOM 191 O GLU A 14 70.059 2.307 -15.111 1.00 0.82 O ATOM 192 CB GLU A 14 70.360 4.916 -16.972 1.00 1.05 C ATOM 193 CG GLU A 14 68.947 5.418 -17.275 1.00 2.10 C ATOM 194 CD GLU A 14 68.020 4.222 -17.508 1.00 2.64 C ATOM 195 OE1 GLU A 14 67.930 3.387 -16.623 1.00 3.31 O ATOM 196 OE2 GLU A 14 67.416 4.163 -18.565 1.00 2.91 O ATOM 0 H GLU A 14 71.851 6.272 -15.671 1.00 0.94 H new ATOM 0 HA GLU A 14 69.551 4.800 -14.946 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.096 5.659 -17.281 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.565 4.009 -17.541 1.00 1.05 H new ATOM 0 HG2 GLU A 14 68.578 6.022 -16.446 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.959 6.060 -18.156 1.00 2.10 H new ATOM 203 N GLU A 15 72.169 2.914 -15.157 1.00 0.92 N ATOM 204 CA GLU A 15 72.625 1.514 -14.920 1.00 1.01 C ATOM 205 C GLU A 15 72.492 1.160 -13.437 1.00 0.90 C ATOM 206 O GLU A 15 72.307 0.015 -13.076 1.00 0.89 O ATOM 207 CB GLU A 15 74.092 1.499 -15.347 1.00 1.23 C ATOM 208 CG GLU A 15 74.184 1.252 -16.854 1.00 1.92 C ATOM 209 CD GLU A 15 75.434 1.936 -17.409 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.503 1.702 -16.866 1.00 2.80 O ATOM 211 OE2 GLU A 15 75.305 2.681 -18.365 1.00 2.90 O ATOM 0 H GLU A 15 72.915 3.604 -15.250 1.00 0.92 H new ATOM 0 HA GLU A 15 72.033 0.786 -15.474 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.565 2.448 -15.094 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.631 0.720 -14.807 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.223 0.182 -17.056 1.00 1.92 H new ATOM 0 HG3 GLU A 15 73.294 1.638 -17.351 1.00 1.92 H new ATOM 218 N GLN A 16 72.583 2.137 -12.574 1.00 0.89 N ATOM 219 CA GLN A 16 72.459 1.855 -11.116 1.00 0.87 C ATOM 220 C GLN A 16 70.984 1.809 -10.712 1.00 0.68 C ATOM 221 O GLN A 16 70.570 0.971 -9.934 1.00 0.67 O ATOM 222 CB GLN A 16 73.168 3.021 -10.427 1.00 0.97 C ATOM 223 CG GLN A 16 73.444 2.658 -8.966 1.00 1.77 C ATOM 224 CD GLN A 16 74.919 2.288 -8.804 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.246 1.309 -8.163 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.832 3.036 -9.363 1.00 2.61 N ATOM 0 H GLN A 16 72.738 3.116 -12.816 1.00 0.89 H new ATOM 0 HA GLN A 16 72.894 0.894 -10.841 1.00 0.87 H new ATOM 0 HB2 GLN A 16 74.103 3.246 -10.940 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.551 3.918 -10.480 1.00 0.97 H new ATOM 0 HG2 GLN A 16 73.195 3.498 -8.318 1.00 1.77 H new ATOM 0 HG3 GLN A 16 72.813 1.823 -8.662 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.558 3.858 -9.901 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.819 2.798 -9.261 1.00 2.61 H new ATOM 235 N LYS A 17 70.186 2.700 -11.233 1.00 0.63 N ATOM 236 CA LYS A 17 68.738 2.701 -10.876 1.00 0.62 C ATOM 237 C LYS A 17 68.044 1.483 -11.491 1.00 0.60 C ATOM 238 O LYS A 17 67.164 0.893 -10.897 1.00 0.66 O ATOM 239 CB LYS A 17 68.182 3.995 -11.471 1.00 0.74 C ATOM 240 CG LYS A 17 68.827 5.195 -10.775 1.00 1.21 C ATOM 241 CD LYS A 17 67.764 6.258 -10.494 1.00 1.31 C ATOM 242 CE LYS A 17 68.204 7.121 -9.309 1.00 1.43 C ATOM 243 NZ LYS A 17 67.945 8.523 -9.738 1.00 2.06 N ATOM 0 H LYS A 17 70.473 3.426 -11.889 1.00 0.63 H new ATOM 0 HA LYS A 17 68.577 2.649 -9.799 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.383 4.031 -12.542 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.099 4.029 -11.348 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.295 4.879 -9.843 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.615 5.611 -11.402 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.616 6.881 -11.376 1.00 1.31 H new ATOM 0 HD3 LYS A 17 66.808 5.782 -10.276 1.00 1.31 H new ATOM 0 HE2 LYS A 17 67.641 6.873 -8.409 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.258 6.967 -9.078 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 67.808 9.123 -8.900 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.756 8.874 -10.286 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.090 8.553 -10.329 1.00 2.06 H new ATOM 257 N ASN A 18 68.435 1.102 -12.677 1.00 0.70 N ATOM 258 CA ASN A 18 67.799 -0.079 -13.326 1.00 0.85 C ATOM 259 C ASN A 18 68.059 -1.338 -12.495 1.00 0.70 C ATOM 260 O ASN A 18 67.305 -2.290 -12.537 1.00 0.66 O ATOM 261 CB ASN A 18 68.472 -0.189 -14.694 1.00 1.11 C ATOM 262 CG ASN A 18 67.704 0.663 -15.708 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.585 1.064 -15.458 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.262 0.957 -16.851 1.00 2.13 N ATOM 0 H ASN A 18 69.166 1.557 -13.223 1.00 0.70 H new ATOM 0 HA ASN A 18 66.718 0.027 -13.413 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.507 0.146 -14.630 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.493 -1.229 -15.019 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.758 1.523 -17.534 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.202 0.620 -17.061 1.00 2.13 H new ATOM 271 N GLU A 19 69.121 -1.348 -11.736 1.00 0.76 N ATOM 272 CA GLU A 19 69.428 -2.542 -10.898 1.00 0.79 C ATOM 273 C GLU A 19 68.678 -2.453 -9.567 1.00 0.65 C ATOM 274 O GLU A 19 68.198 -3.441 -9.046 1.00 0.66 O ATOM 275 CB GLU A 19 70.939 -2.485 -10.669 1.00 0.98 C ATOM 276 CG GLU A 19 71.370 -3.677 -9.813 1.00 1.21 C ATOM 277 CD GLU A 19 72.696 -4.231 -10.337 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.625 -3.454 -10.478 1.00 2.53 O ATOM 279 OE2 GLU A 19 72.759 -5.423 -10.589 1.00 2.44 O ATOM 0 H GLU A 19 69.789 -0.581 -11.660 1.00 0.76 H new ATOM 0 HA GLU A 19 69.124 -3.474 -11.374 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.463 -2.501 -11.624 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.208 -1.552 -10.174 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.478 -3.371 -8.773 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.604 -4.452 -9.839 1.00 1.21 H new ATOM 286 N PHE A 20 68.572 -1.276 -9.015 1.00 0.67 N ATOM 287 CA PHE A 20 67.851 -1.119 -7.718 1.00 0.75 C ATOM 288 C PHE A 20 66.349 -1.333 -7.922 1.00 0.66 C ATOM 289 O PHE A 20 65.784 -2.305 -7.461 1.00 0.79 O ATOM 290 CB PHE A 20 68.135 0.318 -7.278 1.00 0.97 C ATOM 291 CG PHE A 20 69.538 0.410 -6.728 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.007 -0.567 -5.841 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.370 1.471 -7.105 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.308 -0.482 -5.331 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.670 1.556 -6.594 1.00 3.29 C ATOM 296 CZ PHE A 20 72.140 0.580 -5.708 1.00 3.69 C ATOM 0 H PHE A 20 68.954 -0.414 -9.406 1.00 0.67 H new ATOM 0 HA PHE A 20 68.177 -1.844 -6.972 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.019 0.997 -8.122 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.415 0.626 -6.520 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.365 -1.386 -5.551 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.009 2.224 -7.790 1.00 2.24 H new ATOM 0 HE1 PHE A 20 71.670 -1.235 -4.647 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.311 2.375 -6.884 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.144 0.646 -5.315 1.00 3.69 H new ATOM 306 N LYS A 21 65.699 -0.434 -8.609 1.00 0.60 N ATOM 307 CA LYS A 21 64.235 -0.591 -8.841 1.00 0.65 C ATOM 308 C LYS A 21 63.923 -2.028 -9.264 1.00 0.57 C ATOM 309 O LYS A 21 62.934 -2.604 -8.859 1.00 0.57 O ATOM 310 CB LYS A 21 63.905 0.386 -9.971 1.00 0.78 C ATOM 311 CG LYS A 21 63.779 1.801 -9.402 1.00 1.27 C ATOM 312 CD LYS A 21 64.686 2.750 -10.189 1.00 1.58 C ATOM 313 CE LYS A 21 63.999 4.109 -10.338 1.00 2.42 C ATOM 314 NZ LYS A 21 63.511 4.142 -11.744 1.00 2.88 N ATOM 0 H LYS A 21 66.117 0.401 -9.019 1.00 0.60 H new ATOM 0 HA LYS A 21 63.649 -0.388 -7.945 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.686 0.356 -10.731 1.00 0.78 H new ATOM 0 HB3 LYS A 21 62.975 0.094 -10.458 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.744 2.137 -9.461 1.00 1.27 H new ATOM 0 HG3 LYS A 21 64.056 1.807 -8.348 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.640 2.868 -9.675 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.903 2.331 -11.172 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.175 4.214 -9.632 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.693 4.926 -10.142 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.028 5.045 -11.923 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 64.317 4.046 -12.394 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 62.847 3.357 -11.899 1.00 2.88 H new ATOM 328 N ALA A 22 64.766 -2.613 -10.072 1.00 0.59 N ATOM 329 CA ALA A 22 64.523 -4.015 -10.517 1.00 0.62 C ATOM 330 C ALA A 22 64.514 -4.949 -9.306 1.00 0.50 C ATOM 331 O ALA A 22 63.586 -5.707 -9.101 1.00 0.50 O ATOM 332 CB ALA A 22 65.695 -4.347 -11.440 1.00 0.76 C ATOM 0 H ALA A 22 65.612 -2.181 -10.443 1.00 0.59 H new ATOM 0 HA ALA A 22 63.564 -4.132 -11.022 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.589 -5.367 -11.811 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.703 -3.654 -12.281 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.630 -4.257 -10.887 1.00 0.76 H new ATOM 338 N ALA A 23 65.537 -4.898 -8.499 1.00 0.50 N ATOM 339 CA ALA A 23 65.581 -5.779 -7.299 1.00 0.53 C ATOM 340 C ALA A 23 64.342 -5.536 -6.434 1.00 0.46 C ATOM 341 O ALA A 23 63.717 -6.459 -5.952 1.00 0.52 O ATOM 342 CB ALA A 23 66.849 -5.369 -6.551 1.00 0.64 C ATOM 0 H ALA A 23 66.344 -4.285 -8.618 1.00 0.50 H new ATOM 0 HA ALA A 23 65.591 -6.838 -7.558 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.953 -5.975 -5.651 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.716 -5.522 -7.193 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.784 -4.317 -6.274 1.00 0.64 H new ATOM 348 N PHE A 24 63.981 -4.297 -6.242 1.00 0.47 N ATOM 349 CA PHE A 24 62.779 -3.994 -5.415 1.00 0.57 C ATOM 350 C PHE A 24 61.573 -4.771 -5.944 1.00 0.48 C ATOM 351 O PHE A 24 60.887 -5.449 -5.206 1.00 0.51 O ATOM 352 CB PHE A 24 62.560 -2.488 -5.573 1.00 0.77 C ATOM 353 CG PHE A 24 61.459 -2.037 -4.644 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.123 -2.101 -5.059 1.00 1.54 C ATOM 355 CD2 PHE A 24 61.774 -1.555 -3.369 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.103 -1.681 -4.198 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.754 -1.136 -2.507 1.00 1.72 C ATOM 358 CZ PHE A 24 59.418 -1.199 -2.922 1.00 1.25 C ATOM 0 H PHE A 24 64.465 -3.483 -6.621 1.00 0.47 H new ATOM 0 HA PHE A 24 62.909 -4.278 -4.371 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.482 -1.951 -5.349 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.298 -2.255 -6.605 1.00 0.77 H new ATOM 0 HD1 PHE A 24 59.880 -2.474 -6.043 1.00 1.54 H new ATOM 0 HD2 PHE A 24 62.805 -1.506 -3.050 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.073 -1.729 -4.518 1.00 1.62 H new ATOM 0 HE2 PHE A 24 60.997 -0.764 -1.523 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.630 -0.876 -2.257 1.00 1.25 H new ATOM 368 N ASP A 25 61.309 -4.681 -7.219 1.00 0.45 N ATOM 369 CA ASP A 25 60.146 -5.419 -7.793 1.00 0.53 C ATOM 370 C ASP A 25 60.394 -6.927 -7.731 1.00 0.52 C ATOM 371 O ASP A 25 59.519 -7.723 -8.012 1.00 0.60 O ATOM 372 CB ASP A 25 60.054 -4.950 -9.246 1.00 0.66 C ATOM 373 CG ASP A 25 58.900 -5.674 -9.943 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.787 -5.581 -9.454 1.00 1.55 O ATOM 375 OD2 ASP A 25 59.150 -6.309 -10.954 1.00 1.52 O ATOM 0 H ASP A 25 61.847 -4.130 -7.888 1.00 0.45 H new ATOM 0 HA ASP A 25 59.224 -5.226 -7.244 1.00 0.53 H new ATOM 0 HB2 ASP A 25 59.896 -3.872 -9.282 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.991 -5.153 -9.765 1.00 0.66 H new ATOM 380 N ILE A 26 61.580 -7.328 -7.364 1.00 0.50 N ATOM 381 CA ILE A 26 61.886 -8.785 -7.284 1.00 0.63 C ATOM 382 C ILE A 26 62.026 -9.217 -5.823 1.00 0.70 C ATOM 383 O ILE A 26 61.861 -10.373 -5.489 1.00 0.94 O ATOM 384 CB ILE A 26 63.215 -8.950 -8.020 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.045 -8.527 -9.481 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.654 -10.415 -7.963 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.410 -8.522 -10.173 1.00 0.69 C ATOM 0 H ILE A 26 62.352 -6.709 -7.116 1.00 0.50 H new ATOM 0 HA ILE A 26 61.097 -9.397 -7.722 1.00 0.63 H new ATOM 0 HB ILE A 26 63.972 -8.325 -7.545 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.369 -9.212 -9.993 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.595 -7.536 -9.534 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.602 -10.531 -8.488 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.776 -10.718 -6.923 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.897 -11.040 -8.437 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.289 -8.221 -11.214 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.072 -7.820 -9.666 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.842 -9.522 -10.133 1.00 0.69 H new ATOM 399 N PHE A 27 62.336 -8.298 -4.950 1.00 0.61 N ATOM 400 CA PHE A 27 62.493 -8.658 -3.512 1.00 0.79 C ATOM 401 C PHE A 27 61.215 -8.329 -2.734 1.00 0.76 C ATOM 402 O PHE A 27 60.935 -8.919 -1.709 1.00 1.03 O ATOM 403 CB PHE A 27 63.659 -7.804 -3.015 1.00 0.91 C ATOM 404 CG PHE A 27 64.957 -8.536 -3.260 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.469 -9.397 -2.284 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.646 -8.354 -4.466 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.672 -10.078 -2.512 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.848 -9.034 -4.693 1.00 3.07 C ATOM 409 CZ PHE A 27 67.361 -9.896 -3.717 1.00 3.21 C ATOM 0 H PHE A 27 62.487 -7.314 -5.170 1.00 0.61 H new ATOM 0 HA PHE A 27 62.678 -9.723 -3.374 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.667 -6.844 -3.531 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.543 -7.593 -1.952 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.937 -9.537 -1.355 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.250 -7.690 -5.220 1.00 2.23 H new ATOM 0 HE1 PHE A 27 67.068 -10.743 -1.759 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.380 -8.893 -5.622 1.00 3.07 H new ATOM 0 HZ PHE A 27 68.288 -10.421 -3.893 1.00 3.21 H new ATOM 419 N VAL A 28 60.438 -7.394 -3.209 1.00 0.63 N ATOM 420 CA VAL A 28 59.184 -7.040 -2.490 1.00 0.65 C ATOM 421 C VAL A 28 58.142 -8.143 -2.692 1.00 0.65 C ATOM 422 O VAL A 28 57.137 -8.194 -2.012 1.00 0.74 O ATOM 423 CB VAL A 28 58.742 -5.715 -3.121 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.216 -5.604 -3.121 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.331 -4.562 -2.311 1.00 1.47 C ATOM 0 H VAL A 28 60.617 -6.862 -4.061 1.00 0.63 H new ATOM 0 HA VAL A 28 59.317 -6.941 -1.413 1.00 0.65 H new ATOM 0 HB VAL A 28 59.096 -5.675 -4.151 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.920 -4.657 -3.573 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.791 -6.428 -3.694 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.848 -5.648 -2.096 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.023 -3.614 -2.751 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.972 -4.619 -1.283 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.419 -4.630 -2.320 1.00 1.47 H new ATOM 435 N LEU A 29 58.379 -9.031 -3.614 1.00 0.92 N ATOM 436 CA LEU A 29 57.406 -10.133 -3.849 1.00 0.99 C ATOM 437 C LEU A 29 57.062 -10.814 -2.525 1.00 0.99 C ATOM 438 O LEU A 29 55.983 -11.344 -2.347 1.00 1.10 O ATOM 439 CB LEU A 29 58.138 -11.108 -4.763 1.00 1.43 C ATOM 440 CG LEU A 29 57.686 -10.896 -6.208 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.194 -11.210 -6.327 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.934 -9.440 -6.609 1.00 2.45 C ATOM 0 H LEU A 29 59.203 -9.042 -4.215 1.00 0.92 H new ATOM 0 HA LEU A 29 56.472 -9.778 -4.285 1.00 0.99 H new ATOM 0 HB2 LEU A 29 59.215 -10.959 -4.683 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.935 -12.134 -4.455 1.00 1.43 H new ATOM 0 HG LEU A 29 58.250 -11.557 -6.867 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.871 -11.059 -7.357 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.016 -12.246 -6.039 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.629 -10.549 -5.669 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.612 -9.286 -7.639 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.369 -8.780 -5.950 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.997 -9.215 -6.523 1.00 2.45 H new ATOM 454 N GLY A 30 57.974 -10.798 -1.593 1.00 1.16 N ATOM 455 CA GLY A 30 57.703 -11.439 -0.275 1.00 1.58 C ATOM 456 C GLY A 30 57.291 -10.366 0.730 1.00 1.39 C ATOM 457 O GLY A 30 57.043 -10.645 1.887 1.00 1.89 O ATOM 0 H GLY A 30 58.895 -10.369 -1.686 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.913 -12.183 -0.375 1.00 1.58 H new ATOM 0 HA3 GLY A 30 58.592 -11.963 0.078 1.00 1.58 H new ATOM 461 N ALA A 31 57.217 -9.138 0.296 1.00 0.90 N ATOM 462 CA ALA A 31 56.820 -8.041 1.225 1.00 0.95 C ATOM 463 C ALA A 31 55.316 -8.102 1.499 1.00 1.15 C ATOM 464 O ALA A 31 54.678 -9.115 1.297 1.00 1.41 O ATOM 465 CB ALA A 31 57.181 -6.750 0.490 1.00 0.97 C ATOM 0 H ALA A 31 57.414 -8.846 -0.661 1.00 0.90 H new ATOM 0 HA ALA A 31 57.322 -8.113 2.190 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.919 -5.893 1.110 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.251 -6.735 0.285 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.631 -6.700 -0.450 1.00 0.97 H new ATOM 471 N GLU A 32 54.745 -7.023 1.958 1.00 1.35 N ATOM 472 CA GLU A 32 53.282 -7.020 2.245 1.00 1.90 C ATOM 473 C GLU A 32 52.665 -5.681 1.833 1.00 2.05 C ATOM 474 O GLU A 32 51.548 -5.623 1.356 1.00 2.79 O ATOM 475 CB GLU A 32 53.174 -7.218 3.758 1.00 2.37 C ATOM 476 CG GLU A 32 51.713 -7.070 4.189 1.00 2.44 C ATOM 477 CD GLU A 32 51.104 -8.456 4.408 1.00 2.83 C ATOM 478 OE1 GLU A 32 51.081 -9.228 3.464 1.00 3.29 O ATOM 479 OE2 GLU A 32 50.669 -8.721 5.517 1.00 3.24 O ATOM 0 H GLU A 32 55.227 -6.144 2.147 1.00 1.35 H new ATOM 0 HA GLU A 32 52.752 -7.797 1.694 1.00 1.90 H new ATOM 0 HB2 GLU A 32 53.548 -8.204 4.034 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.793 -6.486 4.276 1.00 2.37 H new ATOM 0 HG2 GLU A 32 51.651 -6.484 5.106 1.00 2.44 H new ATOM 0 HG3 GLU A 32 51.151 -6.530 3.427 1.00 2.44 H new ATOM 486 N ASP A 33 53.381 -4.605 2.011 1.00 1.80 N ATOM 487 CA ASP A 33 52.832 -3.272 1.629 1.00 2.11 C ATOM 488 C ASP A 33 53.754 -2.588 0.616 1.00 1.47 C ATOM 489 O ASP A 33 53.900 -1.382 0.611 1.00 1.80 O ATOM 490 CB ASP A 33 52.781 -2.476 2.933 1.00 3.12 C ATOM 491 CG ASP A 33 51.335 -2.074 3.229 1.00 3.68 C ATOM 492 OD1 ASP A 33 50.740 -1.416 2.391 1.00 4.12 O ATOM 493 OD2 ASP A 33 50.847 -2.430 4.289 1.00 4.09 O ATOM 0 H ASP A 33 54.322 -4.590 2.404 1.00 1.80 H new ATOM 0 HA ASP A 33 51.851 -3.349 1.160 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.178 -3.075 3.753 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.408 -1.588 2.854 1.00 3.12 H new ATOM 498 N GLY A 34 54.375 -3.349 -0.243 1.00 1.10 N ATOM 499 CA GLY A 34 55.285 -2.742 -1.256 1.00 1.40 C ATOM 500 C GLY A 34 56.477 -2.093 -0.552 1.00 1.17 C ATOM 501 O GLY A 34 56.755 -0.923 -0.732 1.00 1.39 O ATOM 0 H GLY A 34 54.292 -4.365 -0.287 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.633 -3.506 -1.951 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.747 -1.998 -1.843 1.00 1.40 H new ATOM 505 N SER A 35 57.186 -2.841 0.249 1.00 0.84 N ATOM 506 CA SER A 35 58.360 -2.262 0.964 1.00 0.70 C ATOM 507 C SER A 35 59.364 -3.361 1.310 1.00 0.67 C ATOM 508 O SER A 35 59.202 -4.506 0.933 1.00 0.80 O ATOM 509 CB SER A 35 57.784 -1.641 2.236 1.00 0.75 C ATOM 510 OG SER A 35 56.958 -2.594 2.891 1.00 1.04 O ATOM 0 H SER A 35 57.004 -3.826 0.439 1.00 0.84 H new ATOM 0 HA SER A 35 58.891 -1.528 0.357 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.590 -1.326 2.898 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.206 -0.750 1.990 1.00 0.75 H new ATOM 0 HG SER A 35 56.588 -2.200 3.708 1.00 1.04 H new ATOM 516 N ILE A 36 60.404 -3.024 2.020 1.00 0.69 N ATOM 517 CA ILE A 36 61.422 -4.052 2.383 1.00 0.78 C ATOM 518 C ILE A 36 61.988 -3.753 3.774 1.00 0.71 C ATOM 519 O ILE A 36 62.850 -2.912 3.936 1.00 0.98 O ATOM 520 CB ILE A 36 62.530 -3.952 1.321 1.00 1.00 C ATOM 521 CG1 ILE A 36 61.991 -3.324 0.027 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.050 -5.353 1.006 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.049 -3.430 -1.072 1.00 1.22 C ATOM 0 H ILE A 36 60.594 -2.083 2.365 1.00 0.69 H new ATOM 0 HA ILE A 36 60.992 -5.053 2.410 1.00 0.78 H new ATOM 0 HB ILE A 36 63.330 -3.324 1.713 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.078 -3.832 -0.283 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.733 -2.279 0.198 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.836 -5.289 0.253 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.452 -5.804 1.913 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.234 -5.967 0.626 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.666 -2.984 -1.990 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.951 -2.902 -0.761 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.286 -4.479 -1.249 1.00 1.22 H new ATOM 535 N SER A 37 61.506 -4.433 4.779 1.00 0.87 N ATOM 536 CA SER A 37 62.013 -4.185 6.160 1.00 0.87 C ATOM 537 C SER A 37 63.348 -4.903 6.377 1.00 0.76 C ATOM 538 O SER A 37 63.632 -5.907 5.755 1.00 0.87 O ATOM 539 CB SER A 37 60.940 -4.762 7.084 1.00 1.12 C ATOM 540 OG SER A 37 61.000 -4.102 8.341 1.00 1.52 O ATOM 0 H SER A 37 60.784 -5.149 4.704 1.00 0.87 H new ATOM 0 HA SER A 37 62.191 -3.126 6.348 1.00 0.87 H new ATOM 0 HB2 SER A 37 59.953 -4.634 6.639 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.094 -5.833 7.215 1.00 1.12 H new ATOM 0 HG SER A 37 61.798 -3.533 8.374 1.00 1.52 H new ATOM 546 N THR A 38 64.167 -4.396 7.257 1.00 0.71 N ATOM 547 CA THR A 38 65.484 -5.049 7.517 1.00 0.65 C ATOM 548 C THR A 38 65.320 -6.570 7.581 1.00 0.70 C ATOM 549 O THR A 38 66.239 -7.314 7.302 1.00 1.37 O ATOM 550 CB THR A 38 65.956 -4.501 8.867 1.00 0.76 C ATOM 551 OG1 THR A 38 66.912 -5.392 9.429 1.00 1.55 O ATOM 552 CG2 THR A 38 64.761 -4.356 9.811 1.00 1.00 C ATOM 0 H THR A 38 63.982 -3.558 7.808 1.00 0.71 H new ATOM 0 HA THR A 38 66.204 -4.840 6.726 1.00 0.65 H new ATOM 0 HB THR A 38 66.415 -3.523 8.723 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.217 -5.043 10.292 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.101 -3.966 10.771 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.035 -3.669 9.376 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.295 -5.330 9.960 1.00 1.00 H new ATOM 560 N LYS A 39 64.155 -7.037 7.939 1.00 0.60 N ATOM 561 CA LYS A 39 63.936 -8.510 8.010 1.00 0.66 C ATOM 562 C LYS A 39 63.883 -9.092 6.596 1.00 0.64 C ATOM 563 O LYS A 39 64.363 -10.176 6.338 1.00 0.87 O ATOM 564 CB LYS A 39 62.587 -8.677 8.716 1.00 0.81 C ATOM 565 CG LYS A 39 62.025 -10.074 8.438 1.00 1.42 C ATOM 566 CD LYS A 39 63.050 -11.131 8.853 1.00 1.58 C ATOM 567 CE LYS A 39 62.811 -11.533 10.310 1.00 2.15 C ATOM 568 NZ LYS A 39 63.563 -10.530 11.114 1.00 2.80 N ATOM 0 H LYS A 39 63.347 -6.464 8.185 1.00 0.60 H new ATOM 0 HA LYS A 39 64.735 -9.028 8.541 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.707 -8.531 9.789 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.887 -7.918 8.367 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.095 -10.219 8.988 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.789 -10.178 7.379 1.00 1.42 H new ATOM 0 HD2 LYS A 39 62.969 -12.005 8.206 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.060 -10.739 8.734 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.749 -11.519 10.554 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.169 -12.544 10.505 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.040 -11.007 11.906 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.272 -10.064 10.512 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.903 -9.818 11.486 1.00 2.80 H new ATOM 582 N GLU A 40 63.302 -8.369 5.680 1.00 0.63 N ATOM 583 CA GLU A 40 63.216 -8.864 4.278 1.00 0.68 C ATOM 584 C GLU A 40 64.216 -8.097 3.400 1.00 0.66 C ATOM 585 O GLU A 40 64.500 -8.480 2.283 1.00 0.83 O ATOM 586 CB GLU A 40 61.751 -8.601 3.870 1.00 0.86 C ATOM 587 CG GLU A 40 61.671 -7.837 2.542 1.00 1.05 C ATOM 588 CD GLU A 40 62.105 -8.755 1.398 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.937 -9.956 1.532 1.00 2.32 O ATOM 590 OE2 GLU A 40 62.599 -8.241 0.407 1.00 1.92 O ATOM 0 H GLU A 40 62.882 -7.454 5.842 1.00 0.63 H new ATOM 0 HA GLU A 40 63.469 -9.918 4.167 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.221 -9.549 3.779 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.251 -8.029 4.652 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.653 -7.485 2.374 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.311 -6.956 2.578 1.00 1.05 H new ATOM 597 N LEU A 41 64.751 -7.017 3.903 1.00 0.73 N ATOM 598 CA LEU A 41 65.729 -6.224 3.104 1.00 0.80 C ATOM 599 C LEU A 41 67.106 -6.894 3.132 1.00 0.72 C ATOM 600 O LEU A 41 67.899 -6.741 2.225 1.00 0.81 O ATOM 601 CB LEU A 41 65.784 -4.859 3.791 1.00 1.10 C ATOM 602 CG LEU A 41 66.654 -3.902 2.973 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.127 -4.277 3.142 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.271 -3.998 1.494 1.00 1.83 C ATOM 0 H LEU A 41 64.553 -6.649 4.834 1.00 0.73 H new ATOM 0 HA LEU A 41 65.438 -6.144 2.057 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.778 -4.453 3.894 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.190 -4.964 4.797 1.00 1.10 H new ATOM 0 HG LEU A 41 66.496 -2.882 3.324 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.745 -3.595 2.559 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.402 -4.206 4.194 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.285 -5.298 2.793 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.891 -3.316 0.913 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.427 -5.018 1.143 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.222 -3.728 1.372 1.00 1.83 H new ATOM 616 N GLY A 42 67.397 -7.633 4.168 1.00 0.72 N ATOM 617 CA GLY A 42 68.724 -8.308 4.251 1.00 0.91 C ATOM 618 C GLY A 42 68.946 -9.165 3.003 1.00 0.78 C ATOM 619 O GLY A 42 70.048 -9.280 2.505 1.00 0.84 O ATOM 0 H GLY A 42 66.775 -7.798 4.959 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.516 -7.564 4.339 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.771 -8.931 5.144 1.00 0.91 H new ATOM 623 N LYS A 43 67.907 -9.770 2.496 1.00 0.77 N ATOM 624 CA LYS A 43 68.059 -10.622 1.281 1.00 0.86 C ATOM 625 C LYS A 43 68.525 -9.776 0.091 1.00 0.79 C ATOM 626 O LYS A 43 69.307 -10.217 -0.728 1.00 0.99 O ATOM 627 CB LYS A 43 66.664 -11.191 1.020 1.00 0.95 C ATOM 628 CG LYS A 43 66.466 -12.462 1.849 1.00 1.34 C ATOM 629 CD LYS A 43 65.336 -13.297 1.244 1.00 2.13 C ATOM 630 CE LYS A 43 63.997 -12.849 1.833 1.00 2.65 C ATOM 631 NZ LYS A 43 62.984 -13.209 0.802 1.00 2.98 N ATOM 0 H LYS A 43 66.960 -9.712 2.870 1.00 0.77 H new ATOM 0 HA LYS A 43 68.802 -11.408 1.420 1.00 0.86 H new ATOM 0 HB2 LYS A 43 65.905 -10.453 1.279 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.543 -11.413 -0.040 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.389 -13.042 1.871 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.228 -12.202 2.881 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.325 -13.182 0.160 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.500 -14.355 1.451 1.00 2.13 H new ATOM 0 HE2 LYS A 43 63.794 -13.351 2.779 1.00 2.65 H new ATOM 0 HE3 LYS A 43 63.993 -11.778 2.034 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 62.038 -12.933 1.134 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 63.199 -12.711 -0.085 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 63.007 -14.236 0.637 1.00 2.98 H new ATOM 645 N VAL A 44 68.048 -8.566 -0.013 1.00 0.72 N ATOM 646 CA VAL A 44 68.465 -7.696 -1.151 1.00 0.93 C ATOM 647 C VAL A 44 69.971 -7.432 -1.097 1.00 0.89 C ATOM 648 O VAL A 44 70.677 -7.599 -2.071 1.00 1.06 O ATOM 649 CB VAL A 44 67.687 -6.394 -0.961 1.00 1.18 C ATOM 650 CG1 VAL A 44 68.130 -5.376 -2.013 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.189 -6.667 -1.116 1.00 1.80 C ATOM 0 H VAL A 44 67.388 -8.142 0.639 1.00 0.72 H new ATOM 0 HA VAL A 44 68.260 -8.158 -2.117 1.00 0.93 H new ATOM 0 HB VAL A 44 67.883 -5.997 0.035 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.575 -4.448 -1.877 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.197 -5.180 -1.904 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.934 -5.773 -3.009 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.634 -5.739 -0.981 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.993 -7.065 -2.112 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.872 -7.392 -0.366 1.00 1.80 H new ATOM 661 N MET A 45 70.468 -7.013 0.033 1.00 0.86 N ATOM 662 CA MET A 45 71.928 -6.732 0.151 1.00 1.06 C ATOM 663 C MET A 45 72.749 -7.917 -0.363 1.00 1.08 C ATOM 664 O MET A 45 73.558 -7.783 -1.260 1.00 1.14 O ATOM 665 CB MET A 45 72.169 -6.523 1.645 1.00 1.34 C ATOM 666 CG MET A 45 71.539 -5.200 2.084 1.00 1.88 C ATOM 667 SD MET A 45 72.767 -4.216 2.979 1.00 2.45 S ATOM 668 CE MET A 45 71.874 -4.113 4.549 1.00 3.35 C ATOM 0 H MET A 45 69.926 -6.852 0.882 1.00 0.86 H new ATOM 0 HA MET A 45 72.227 -5.866 -0.439 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.739 -7.348 2.212 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.239 -6.516 1.854 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.180 -4.650 1.215 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.675 -5.390 2.721 1.00 1.88 H new ATOM 0 HE1 MET A 45 72.461 -3.537 5.264 1.00 3.35 H new ATOM 0 HE2 MET A 45 70.913 -3.623 4.390 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.709 -5.117 4.940 1.00 3.35 H new ATOM 678 N ARG A 46 72.555 -9.076 0.203 1.00 1.20 N ATOM 679 CA ARG A 46 73.332 -10.268 -0.246 1.00 1.46 C ATOM 680 C ARG A 46 73.305 -10.386 -1.773 1.00 1.52 C ATOM 681 O ARG A 46 74.253 -10.837 -2.385 1.00 1.73 O ATOM 682 CB ARG A 46 72.627 -11.464 0.396 1.00 1.74 C ATOM 683 CG ARG A 46 73.646 -12.301 1.172 1.00 1.93 C ATOM 684 CD ARG A 46 72.998 -12.841 2.450 1.00 2.48 C ATOM 685 NE ARG A 46 74.129 -13.041 3.399 1.00 2.64 N ATOM 686 CZ ARG A 46 73.940 -12.885 4.680 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.242 -13.762 5.349 1.00 3.41 N ATOM 688 NH2 ARG A 46 74.448 -11.852 5.294 1.00 3.64 N ATOM 0 H ARG A 46 71.892 -9.250 0.958 1.00 1.20 H new ATOM 0 HA ARG A 46 74.381 -10.205 0.044 1.00 1.46 H new ATOM 0 HB2 ARG A 46 71.839 -11.119 1.065 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.149 -12.073 -0.371 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.000 -13.127 0.554 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.516 -11.694 1.422 1.00 1.93 H new ATOM 0 HD2 ARG A 46 72.267 -12.138 2.849 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.471 -13.776 2.261 1.00 2.48 H new ATOM 0 HE ARG A 46 75.051 -13.300 3.047 1.00 2.64 H new ATOM 0 HH11 ARG A 46 72.844 -14.570 4.870 1.00 3.41 H new ATOM 0 HH12 ARG A 46 73.095 -13.639 6.351 1.00 3.41 H new ATOM 0 HH21 ARG A 46 74.993 -11.166 4.772 1.00 3.64 H new ATOM 0 HH22 ARG A 46 74.300 -11.731 6.296 1.00 3.64 H new ATOM 702 N MET A 47 72.227 -9.993 -2.395 1.00 1.46 N ATOM 703 CA MET A 47 72.151 -10.096 -3.883 1.00 1.73 C ATOM 704 C MET A 47 72.894 -8.925 -4.542 1.00 1.75 C ATOM 705 O MET A 47 73.266 -8.988 -5.698 1.00 2.01 O ATOM 706 CB MET A 47 70.645 -10.077 -4.205 1.00 1.70 C ATOM 707 CG MET A 47 70.188 -8.670 -4.615 1.00 1.96 C ATOM 708 SD MET A 47 70.323 -8.497 -6.411 1.00 1.94 S ATOM 709 CE MET A 47 69.014 -7.266 -6.620 1.00 1.52 C ATOM 0 H MET A 47 71.399 -9.607 -1.942 1.00 1.46 H new ATOM 0 HA MET A 47 72.625 -10.999 -4.266 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.433 -10.781 -5.009 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.079 -10.408 -3.334 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.158 -8.503 -4.298 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.800 -7.917 -4.119 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.170 -7.718 -7.141 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.689 -6.911 -5.642 1.00 1.52 H new ATOM 0 HE3 MET A 47 69.393 -6.427 -7.203 1.00 1.52 H new ATOM 719 N LEU A 48 73.107 -7.860 -3.820 1.00 1.60 N ATOM 720 CA LEU A 48 73.819 -6.689 -4.412 1.00 1.69 C ATOM 721 C LEU A 48 75.333 -6.841 -4.237 1.00 1.68 C ATOM 722 O LEU A 48 76.112 -6.225 -4.937 1.00 1.99 O ATOM 723 CB LEU A 48 73.307 -5.479 -3.631 1.00 1.73 C ATOM 724 CG LEU A 48 71.807 -5.315 -3.869 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.296 -4.096 -3.100 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.549 -5.117 -5.365 1.00 2.15 C ATOM 0 H LEU A 48 72.820 -7.748 -2.848 1.00 1.60 H new ATOM 0 HA LEU A 48 73.634 -6.593 -5.482 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.505 -5.610 -2.567 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.836 -4.580 -3.946 1.00 1.73 H new ATOM 0 HG LEU A 48 71.285 -6.207 -3.522 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.226 -3.980 -3.271 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.481 -4.234 -2.035 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.817 -3.203 -3.446 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.479 -5.000 -5.537 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.072 -4.225 -5.709 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.912 -5.985 -5.915 1.00 2.15 H new ATOM 738 N GLY A 49 75.755 -7.654 -3.309 1.00 1.63 N ATOM 739 CA GLY A 49 77.217 -7.841 -3.092 1.00 1.87 C ATOM 740 C GLY A 49 77.598 -7.315 -1.709 1.00 1.54 C ATOM 741 O GLY A 49 78.737 -6.976 -1.454 1.00 1.53 O ATOM 0 H GLY A 49 75.151 -8.197 -2.692 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.476 -8.897 -3.175 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.780 -7.313 -3.862 1.00 1.87 H new ATOM 745 N GLN A 50 76.654 -7.243 -0.811 1.00 1.37 N ATOM 746 CA GLN A 50 76.962 -6.740 0.558 1.00 1.17 C ATOM 747 C GLN A 50 76.813 -7.871 1.577 1.00 1.24 C ATOM 748 O GLN A 50 76.086 -8.820 1.365 1.00 1.75 O ATOM 749 CB GLN A 50 75.928 -5.644 0.817 1.00 1.29 C ATOM 750 CG GLN A 50 75.964 -4.627 -0.326 1.00 1.28 C ATOM 751 CD GLN A 50 75.568 -3.247 0.205 1.00 1.41 C ATOM 752 OE1 GLN A 50 76.394 -2.362 0.304 1.00 1.89 O ATOM 753 NE2 GLN A 50 74.330 -3.026 0.552 1.00 1.85 N ATOM 0 H GLN A 50 75.682 -7.511 -0.966 1.00 1.37 H new ATOM 0 HA GLN A 50 77.982 -6.365 0.644 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.933 -6.080 0.898 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.137 -5.149 1.765 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.963 -4.588 -0.761 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.282 -4.932 -1.120 1.00 1.28 H new ATOM 0 HE21 GLN A 50 73.637 -3.769 0.469 1.00 1.85 H new ATOM 0 HE22 GLN A 50 74.056 -2.110 0.907 1.00 1.85 H new ATOM 762 N ASN A 51 77.498 -7.779 2.684 1.00 1.18 N ATOM 763 CA ASN A 51 77.394 -8.852 3.714 1.00 1.29 C ATOM 764 C ASN A 51 77.592 -8.264 5.113 1.00 1.07 C ATOM 765 O ASN A 51 78.489 -8.657 5.831 1.00 1.45 O ATOM 766 CB ASN A 51 78.516 -9.833 3.378 1.00 1.96 C ATOM 767 CG ASN A 51 78.134 -11.231 3.868 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.508 -11.375 4.898 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.488 -12.273 3.168 1.00 3.29 N ATOM 0 H ASN A 51 78.124 -7.009 2.920 1.00 1.18 H new ATOM 0 HA ASN A 51 76.417 -9.335 3.710 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.690 -9.848 2.302 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.446 -9.513 3.847 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.239 -13.210 3.486 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.014 -12.151 2.303 1.00 3.29 H new ATOM 776 N PRO A 52 76.738 -7.337 5.452 1.00 1.47 N ATOM 777 CA PRO A 52 76.811 -6.682 6.780 1.00 2.11 C ATOM 778 C PRO A 52 76.360 -7.650 7.878 1.00 1.79 C ATOM 779 O PRO A 52 76.197 -8.831 7.648 1.00 2.07 O ATOM 780 CB PRO A 52 75.840 -5.511 6.654 1.00 2.97 C ATOM 781 CG PRO A 52 74.880 -5.921 5.585 1.00 2.97 C ATOM 782 CD PRO A 52 75.635 -6.818 4.639 1.00 2.03 C ATOM 0 HA PRO A 52 77.819 -6.367 7.049 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.325 -5.322 7.596 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.362 -4.592 6.385 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.025 -6.444 6.014 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.490 -5.048 5.061 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.004 -7.622 4.261 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.002 -6.267 3.773 1.00 2.03 H new ATOM 790 N THR A 53 76.155 -7.158 9.069 1.00 1.42 N ATOM 791 CA THR A 53 75.714 -8.052 10.178 1.00 1.16 C ATOM 792 C THR A 53 74.238 -7.803 10.501 1.00 0.98 C ATOM 793 O THR A 53 73.636 -6.883 9.985 1.00 0.92 O ATOM 794 CB THR A 53 76.597 -7.675 11.369 1.00 1.19 C ATOM 795 OG1 THR A 53 77.163 -6.391 11.149 1.00 1.40 O ATOM 796 CG2 THR A 53 77.713 -8.708 11.527 1.00 1.36 C ATOM 0 H THR A 53 76.273 -6.177 9.322 1.00 1.42 H new ATOM 0 HA THR A 53 75.809 -9.107 9.921 1.00 1.16 H new ATOM 0 HB THR A 53 75.994 -7.655 12.277 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.223 -5.910 12.000 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.341 -8.438 12.376 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.276 -9.692 11.697 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.318 -8.731 10.621 1.00 1.36 H new ATOM 804 N PRO A 54 73.705 -8.639 11.350 1.00 0.99 N ATOM 805 CA PRO A 54 72.282 -8.517 11.751 1.00 1.04 C ATOM 806 C PRO A 54 72.088 -7.326 12.693 1.00 0.93 C ATOM 807 O PRO A 54 71.086 -6.640 12.643 1.00 0.94 O ATOM 808 CB PRO A 54 72.002 -9.832 12.473 1.00 1.19 C ATOM 809 CG PRO A 54 73.335 -10.301 12.963 1.00 1.18 C ATOM 810 CD PRO A 54 74.372 -9.767 12.009 1.00 1.10 C ATOM 0 HA PRO A 54 71.613 -8.346 10.908 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.307 -9.687 13.300 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.550 -10.562 11.801 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.521 -9.941 13.975 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.370 -11.390 13.000 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.271 -9.446 12.536 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.679 -10.525 11.288 1.00 1.10 H new ATOM 818 N GLU A 55 73.036 -7.075 13.554 1.00 0.98 N ATOM 819 CA GLU A 55 72.901 -5.930 14.499 1.00 1.08 C ATOM 820 C GLU A 55 73.098 -4.603 13.760 1.00 0.97 C ATOM 821 O GLU A 55 72.396 -3.640 13.998 1.00 1.01 O ATOM 822 CB GLU A 55 74.008 -6.136 15.534 1.00 1.28 C ATOM 823 CG GLU A 55 73.582 -5.523 16.868 1.00 2.15 C ATOM 824 CD GLU A 55 74.745 -5.595 17.859 1.00 2.57 C ATOM 825 OE1 GLU A 55 75.871 -5.388 17.437 1.00 2.81 O ATOM 826 OE2 GLU A 55 74.491 -5.856 19.023 1.00 3.14 O ATOM 0 H GLU A 55 73.898 -7.613 13.644 1.00 0.98 H new ATOM 0 HA GLU A 55 71.914 -5.892 14.959 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.210 -7.200 15.659 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.933 -5.674 15.189 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.278 -4.486 16.723 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.718 -6.056 17.266 1.00 2.15 H new ATOM 833 N GLU A 56 74.046 -4.546 12.866 1.00 0.92 N ATOM 834 CA GLU A 56 74.285 -3.280 12.114 1.00 0.94 C ATOM 835 C GLU A 56 73.025 -2.871 11.348 1.00 0.84 C ATOM 836 O GLU A 56 72.644 -1.718 11.330 1.00 0.94 O ATOM 837 CB GLU A 56 75.420 -3.608 11.143 1.00 1.06 C ATOM 838 CG GLU A 56 76.507 -2.538 11.248 1.00 1.60 C ATOM 839 CD GLU A 56 77.430 -2.860 12.424 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.475 -4.014 12.816 1.00 2.08 O ATOM 841 OE2 GLU A 56 78.076 -1.947 12.912 1.00 2.50 O ATOM 0 H GLU A 56 74.665 -5.319 12.623 1.00 0.92 H new ATOM 0 HA GLU A 56 74.537 -2.449 12.773 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.837 -4.589 11.372 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.038 -3.655 10.123 1.00 1.06 H new ATOM 0 HG2 GLU A 56 77.081 -2.496 10.322 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.054 -1.557 11.386 1.00 1.60 H new ATOM 848 N LEU A 57 72.378 -3.808 10.711 1.00 0.73 N ATOM 849 CA LEU A 57 71.143 -3.474 9.942 1.00 0.78 C ATOM 850 C LEU A 57 70.243 -2.537 10.753 1.00 0.80 C ATOM 851 O LEU A 57 69.963 -1.427 10.348 1.00 0.89 O ATOM 852 CB LEU A 57 70.449 -4.816 9.709 1.00 0.85 C ATOM 853 CG LEU A 57 70.709 -5.281 8.276 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.020 -6.779 8.273 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.466 -5.018 7.423 1.00 1.10 C ATOM 0 H LEU A 57 72.650 -4.791 10.689 1.00 0.73 H new ATOM 0 HA LEU A 57 71.368 -2.961 9.007 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.820 -5.557 10.416 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.377 -4.719 9.882 1.00 0.85 H new ATOM 0 HG LEU A 57 71.557 -4.733 7.865 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.205 -7.110 7.251 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.904 -6.968 8.882 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.172 -7.327 8.684 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.650 -5.349 6.401 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.619 -5.566 7.835 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.243 -3.951 7.424 1.00 1.10 H new ATOM 867 N GLN A 58 69.786 -2.977 11.893 1.00 0.81 N ATOM 868 CA GLN A 58 68.900 -2.112 12.726 1.00 0.95 C ATOM 869 C GLN A 58 69.427 -0.674 12.749 1.00 0.99 C ATOM 870 O GLN A 58 68.716 0.262 12.444 1.00 1.13 O ATOM 871 CB GLN A 58 68.950 -2.725 14.126 1.00 1.09 C ATOM 872 CG GLN A 58 68.036 -1.933 15.064 1.00 1.25 C ATOM 873 CD GLN A 58 66.609 -1.939 14.511 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.807 -2.773 14.880 1.00 1.97 O ATOM 875 NE2 GLN A 58 66.258 -1.038 13.635 1.00 1.74 N ATOM 0 H GLN A 58 69.987 -3.897 12.284 1.00 0.81 H new ATOM 0 HA GLN A 58 67.883 -2.068 12.336 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.635 -3.768 14.089 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.973 -2.714 14.503 1.00 1.09 H new ATOM 0 HG2 GLN A 58 68.053 -2.372 16.062 1.00 1.25 H new ATOM 0 HG3 GLN A 58 68.396 -0.909 15.160 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.932 -0.338 13.326 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.310 -1.034 13.260 1.00 1.74 H new ATOM 884 N GLU A 59 70.666 -0.492 13.114 1.00 0.97 N ATOM 885 CA GLU A 59 71.237 0.887 13.161 1.00 1.14 C ATOM 886 C GLU A 59 71.174 1.538 11.776 1.00 1.11 C ATOM 887 O GLU A 59 70.675 2.635 11.618 1.00 1.18 O ATOM 888 CB GLU A 59 72.689 0.698 13.597 1.00 1.23 C ATOM 889 CG GLU A 59 72.726 0.057 14.986 1.00 1.60 C ATOM 890 CD GLU A 59 73.128 1.106 16.025 1.00 2.19 C ATOM 891 OE1 GLU A 59 72.843 2.271 15.803 1.00 2.77 O ATOM 892 OE2 GLU A 59 73.714 0.726 17.026 1.00 2.75 O ATOM 0 H GLU A 59 71.309 -1.237 13.382 1.00 0.97 H new ATOM 0 HA GLU A 59 70.686 1.537 13.841 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.216 0.068 12.880 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.203 1.659 13.615 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.748 -0.358 15.232 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.435 -0.771 14.997 1.00 1.60 H new ATOM 899 N MET A 60 71.679 0.873 10.774 1.00 1.11 N ATOM 900 CA MET A 60 71.654 1.454 9.400 1.00 1.18 C ATOM 901 C MET A 60 70.305 2.127 9.127 1.00 1.13 C ATOM 902 O MET A 60 70.231 3.316 8.885 1.00 1.25 O ATOM 903 CB MET A 60 71.855 0.261 8.465 1.00 1.22 C ATOM 904 CG MET A 60 73.337 0.139 8.107 1.00 1.62 C ATOM 905 SD MET A 60 73.700 1.181 6.672 1.00 1.82 S ATOM 906 CE MET A 60 74.030 -0.157 5.499 1.00 2.02 C ATOM 0 H MET A 60 72.109 -0.049 10.846 1.00 1.11 H new ATOM 0 HA MET A 60 72.420 2.218 9.263 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.509 -0.654 8.946 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.261 0.390 7.560 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.953 0.441 8.954 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.585 -0.900 7.887 1.00 1.62 H new ATOM 0 HE1 MET A 60 73.982 0.231 4.482 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.023 -0.567 5.685 1.00 2.02 H new ATOM 0 HE3 MET A 60 73.284 -0.942 5.623 1.00 2.02 H new ATOM 916 N ILE A 61 69.239 1.376 9.162 1.00 1.04 N ATOM 917 CA ILE A 61 67.896 1.970 8.902 1.00 1.11 C ATOM 918 C ILE A 61 67.565 3.021 9.969 1.00 1.23 C ATOM 919 O ILE A 61 67.106 4.104 9.664 1.00 1.40 O ATOM 920 CB ILE A 61 66.928 0.780 8.970 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.839 0.128 7.589 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.533 1.247 9.396 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.293 -1.328 7.681 1.00 1.14 C ATOM 0 H ILE A 61 69.239 0.375 9.360 1.00 1.04 H new ATOM 0 HA ILE A 61 67.839 2.483 7.942 1.00 1.11 H new ATOM 0 HB ILE A 61 67.299 0.064 9.703 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.816 0.178 7.217 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.463 0.670 6.879 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.860 0.391 9.439 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.590 1.713 10.380 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.155 1.970 8.673 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.229 -1.792 6.697 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.324 -1.366 8.034 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.650 -1.866 8.378 1.00 1.14 H new ATOM 935 N ASP A 62 67.789 2.710 11.214 1.00 1.23 N ATOM 936 CA ASP A 62 67.481 3.691 12.295 1.00 1.43 C ATOM 937 C ASP A 62 68.107 5.053 11.980 1.00 1.48 C ATOM 938 O ASP A 62 67.692 6.070 12.501 1.00 1.67 O ATOM 939 CB ASP A 62 68.107 3.095 13.556 1.00 1.51 C ATOM 940 CG ASP A 62 67.430 3.693 14.791 1.00 1.54 C ATOM 941 OD1 ASP A 62 67.279 4.904 14.832 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.072 2.931 15.673 1.00 2.13 O ATOM 0 H ASP A 62 68.172 1.820 11.532 1.00 1.23 H new ATOM 0 HA ASP A 62 66.409 3.856 12.405 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.993 2.011 13.554 1.00 1.51 H new ATOM 0 HB3 ASP A 62 69.177 3.303 13.577 1.00 1.51 H new ATOM 947 N GLU A 63 69.103 5.083 11.138 1.00 1.41 N ATOM 948 CA GLU A 63 69.752 6.384 10.801 1.00 1.52 C ATOM 949 C GLU A 63 69.172 6.952 9.503 1.00 1.47 C ATOM 950 O GLU A 63 68.726 8.081 9.454 1.00 1.80 O ATOM 951 CB GLU A 63 71.235 6.053 10.627 1.00 1.55 C ATOM 952 CG GLU A 63 71.805 5.554 11.956 1.00 2.11 C ATOM 953 CD GLU A 63 72.474 6.715 12.694 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.517 7.156 12.241 1.00 2.32 O ATOM 955 OE2 GLU A 63 71.931 7.143 13.699 1.00 2.93 O ATOM 0 H GLU A 63 69.495 4.266 10.669 1.00 1.41 H new ATOM 0 HA GLU A 63 69.588 7.136 11.573 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.361 5.292 9.856 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.779 6.937 10.294 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.009 5.130 12.569 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.528 4.758 11.778 1.00 2.11 H new ATOM 962 N VAL A 64 69.178 6.182 8.450 1.00 1.33 N ATOM 963 CA VAL A 64 68.630 6.682 7.156 1.00 1.29 C ATOM 964 C VAL A 64 67.103 6.769 7.220 1.00 1.21 C ATOM 965 O VAL A 64 66.475 7.430 6.417 1.00 1.50 O ATOM 966 CB VAL A 64 69.064 5.648 6.118 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.544 5.317 6.312 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.232 4.375 6.289 1.00 1.31 C ATOM 0 H VAL A 64 69.539 5.228 8.429 1.00 1.33 H new ATOM 0 HA VAL A 64 68.992 7.681 6.915 1.00 1.29 H new ATOM 0 HB VAL A 64 68.911 6.053 5.118 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.852 4.579 5.571 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.138 6.223 6.191 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.698 4.913 7.312 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.541 3.637 5.549 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.385 3.972 7.290 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.176 4.609 6.150 1.00 1.31 H new ATOM 978 N ASP A 65 66.499 6.104 8.167 1.00 1.27 N ATOM 979 CA ASP A 65 65.013 6.146 8.277 1.00 1.38 C ATOM 980 C ASP A 65 64.572 7.376 9.074 1.00 2.07 C ATOM 981 O ASP A 65 64.988 7.582 10.197 1.00 2.61 O ATOM 982 CB ASP A 65 64.637 4.865 9.018 1.00 1.38 C ATOM 983 CG ASP A 65 63.159 4.549 8.778 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.574 5.171 7.907 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.638 3.691 9.472 1.00 2.59 O ATOM 0 H ASP A 65 66.970 5.534 8.869 1.00 1.27 H new ATOM 0 HA ASP A 65 64.529 6.212 7.302 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.257 4.038 8.673 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.826 4.981 10.085 1.00 1.38 H new ATOM 990 N GLU A 66 63.732 8.193 8.501 1.00 2.65 N ATOM 991 CA GLU A 66 63.263 9.409 9.226 1.00 3.74 C ATOM 992 C GLU A 66 62.045 9.073 10.091 1.00 4.00 C ATOM 993 O GLU A 66 61.632 9.852 10.927 1.00 4.93 O ATOM 994 CB GLU A 66 62.885 10.404 8.128 1.00 4.58 C ATOM 995 CG GLU A 66 61.638 9.910 7.394 1.00 5.25 C ATOM 996 CD GLU A 66 61.217 10.946 6.350 1.00 6.17 C ATOM 997 OE1 GLU A 66 62.052 11.316 5.541 1.00 6.61 O ATOM 998 OE2 GLU A 66 60.066 11.351 6.376 1.00 6.67 O ATOM 0 H GLU A 66 63.350 8.072 7.563 1.00 2.65 H new ATOM 0 HA GLU A 66 64.024 9.811 9.894 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.698 11.386 8.562 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.711 10.517 7.426 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.842 8.954 6.912 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.828 9.743 8.104 1.00 5.25 H new ATOM 1005 N ASP A 67 61.467 7.919 9.898 1.00 3.32 N ATOM 1006 CA ASP A 67 60.276 7.537 10.712 1.00 3.69 C ATOM 1007 C ASP A 67 60.649 6.440 11.712 1.00 3.25 C ATOM 1008 O ASP A 67 59.846 6.030 12.528 1.00 3.49 O ATOM 1009 CB ASP A 67 59.254 7.014 9.701 1.00 3.68 C ATOM 1010 CG ASP A 67 59.918 5.978 8.791 1.00 3.08 C ATOM 1011 OD1 ASP A 67 59.929 4.815 9.161 1.00 2.33 O ATOM 1012 OD2 ASP A 67 60.404 6.366 7.742 1.00 3.83 O ATOM 0 H ASP A 67 61.767 7.225 9.213 1.00 3.32 H new ATOM 0 HA ASP A 67 59.886 8.375 11.289 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.408 6.566 10.222 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.862 7.838 9.105 1.00 3.68 H new ATOM 1017 N GLY A 68 61.861 5.959 11.655 1.00 2.98 N ATOM 1018 CA GLY A 68 62.284 4.889 12.603 1.00 3.17 C ATOM 1019 C GLY A 68 61.258 3.756 12.585 1.00 2.42 C ATOM 1020 O GLY A 68 60.571 3.512 13.557 1.00 3.05 O ATOM 0 H GLY A 68 62.576 6.260 10.993 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.266 4.509 12.323 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.374 5.296 13.610 1.00 3.17 H new ATOM 1024 N SER A 69 61.146 3.060 11.486 1.00 1.46 N ATOM 1025 CA SER A 69 60.161 1.943 11.408 1.00 1.52 C ATOM 1026 C SER A 69 60.858 0.641 10.998 1.00 1.64 C ATOM 1027 O SER A 69 60.321 -0.436 11.159 1.00 2.49 O ATOM 1028 CB SER A 69 59.160 2.374 10.336 1.00 2.44 C ATOM 1029 OG SER A 69 59.811 2.414 9.074 1.00 2.71 O ATOM 0 H SER A 69 61.693 3.216 10.640 1.00 1.46 H new ATOM 0 HA SER A 69 59.679 1.753 12.367 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.322 1.678 10.304 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.750 3.355 10.578 1.00 2.44 H new ATOM 0 HG SER A 69 60.209 3.299 8.939 1.00 2.71 H new ATOM 1035 N GLY A 70 62.050 0.732 10.473 1.00 1.28 N ATOM 1036 CA GLY A 70 62.775 -0.501 10.056 1.00 1.43 C ATOM 1037 C GLY A 70 62.323 -0.910 8.652 1.00 1.29 C ATOM 1038 O GLY A 70 62.509 -2.034 8.233 1.00 1.59 O ATOM 0 H GLY A 70 62.552 1.606 10.315 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.850 -0.324 10.066 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.578 -1.308 10.762 1.00 1.43 H new ATOM 1042 N THR A 71 61.729 -0.006 7.922 1.00 0.89 N ATOM 1043 CA THR A 71 61.264 -0.345 6.545 1.00 0.79 C ATOM 1044 C THR A 71 61.935 0.572 5.519 1.00 0.76 C ATOM 1045 O THR A 71 62.242 1.713 5.798 1.00 0.83 O ATOM 1046 CB THR A 71 59.753 -0.113 6.569 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.488 1.230 6.952 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.102 -1.069 7.570 1.00 1.08 C ATOM 0 H THR A 71 61.545 0.953 8.218 1.00 0.89 H new ATOM 0 HA THR A 71 61.513 -1.368 6.264 1.00 0.79 H new ATOM 0 HB THR A 71 59.342 -0.297 5.576 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.621 1.327 7.918 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.025 -0.902 7.585 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.305 -2.098 7.275 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.511 -0.889 8.564 1.00 1.08 H new ATOM 1056 N VAL A 72 62.162 0.080 4.331 1.00 0.73 N ATOM 1057 CA VAL A 72 62.812 0.922 3.285 1.00 0.77 C ATOM 1058 C VAL A 72 62.089 0.752 1.947 1.00 0.80 C ATOM 1059 O VAL A 72 62.147 -0.291 1.327 1.00 1.00 O ATOM 1060 CB VAL A 72 64.244 0.400 3.190 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.949 1.060 2.004 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.996 0.735 4.480 1.00 1.13 C ATOM 0 H VAL A 72 61.926 -0.868 4.039 1.00 0.73 H new ATOM 0 HA VAL A 72 62.781 1.984 3.531 1.00 0.77 H new ATOM 0 HB VAL A 72 64.228 -0.681 3.049 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.971 0.688 1.935 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.414 0.822 1.085 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.965 2.141 2.146 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.018 0.363 4.412 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.012 1.816 4.622 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.494 0.266 5.326 1.00 1.13 H new ATOM 1072 N ASP A 73 61.408 1.770 1.494 1.00 0.77 N ATOM 1073 CA ASP A 73 60.683 1.663 0.196 1.00 0.83 C ATOM 1074 C ASP A 73 61.601 2.071 -0.960 1.00 0.87 C ATOM 1075 O ASP A 73 62.808 2.125 -0.818 1.00 0.87 O ATOM 1076 CB ASP A 73 59.509 2.635 0.316 1.00 0.85 C ATOM 1077 CG ASP A 73 58.744 2.356 1.613 1.00 1.80 C ATOM 1078 OD1 ASP A 73 59.176 2.837 2.646 1.00 2.57 O ATOM 1079 OD2 ASP A 73 57.741 1.665 1.549 1.00 2.47 O ATOM 0 H ASP A 73 61.323 2.670 1.966 1.00 0.77 H new ATOM 0 HA ASP A 73 60.351 0.645 -0.007 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.872 3.663 0.310 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.844 2.526 -0.541 1.00 0.85 H new ATOM 1084 N PHE A 74 61.040 2.359 -2.102 1.00 0.94 N ATOM 1085 CA PHE A 74 61.878 2.763 -3.268 1.00 0.98 C ATOM 1086 C PHE A 74 62.717 3.996 -2.915 1.00 0.86 C ATOM 1087 O PHE A 74 63.693 4.301 -3.570 1.00 0.83 O ATOM 1088 CB PHE A 74 60.878 3.091 -4.377 1.00 1.12 C ATOM 1089 CG PHE A 74 61.571 3.856 -5.478 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.845 3.466 -5.909 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.941 4.958 -6.069 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.487 4.174 -6.931 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.581 5.667 -7.091 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.854 5.276 -7.522 1.00 3.18 C ATOM 0 H PHE A 74 60.036 2.332 -2.279 1.00 0.94 H new ATOM 0 HA PHE A 74 62.576 1.981 -3.567 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.448 2.172 -4.775 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.054 3.681 -3.974 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.333 2.618 -5.452 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.960 5.261 -5.735 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.469 3.872 -7.264 1.00 2.84 H new ATOM 0 HE2 PHE A 74 61.093 6.516 -7.547 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.349 5.824 -8.310 1.00 3.18 H new ATOM 1104 N ASP A 75 62.345 4.705 -1.884 1.00 0.83 N ATOM 1105 CA ASP A 75 63.125 5.914 -1.492 1.00 0.76 C ATOM 1106 C ASP A 75 64.247 5.531 -0.524 1.00 0.69 C ATOM 1107 O ASP A 75 65.415 5.613 -0.849 1.00 0.65 O ATOM 1108 CB ASP A 75 62.112 6.833 -0.804 1.00 0.81 C ATOM 1109 CG ASP A 75 62.236 8.248 -1.373 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.011 8.410 -2.561 1.00 1.57 O ATOM 1111 OD2 ASP A 75 62.554 9.145 -0.610 1.00 1.49 O ATOM 0 H ASP A 75 61.536 4.500 -1.297 1.00 0.83 H new ATOM 0 HA ASP A 75 63.597 6.396 -2.348 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.101 6.456 -0.957 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.289 6.846 0.272 1.00 0.81 H new ATOM 1116 N GLU A 76 63.902 5.112 0.663 1.00 0.77 N ATOM 1117 CA GLU A 76 64.949 4.724 1.650 1.00 0.78 C ATOM 1118 C GLU A 76 65.928 3.732 1.017 1.00 0.70 C ATOM 1119 O GLU A 76 67.103 3.725 1.324 1.00 0.70 O ATOM 1120 CB GLU A 76 64.184 4.068 2.801 1.00 0.95 C ATOM 1121 CG GLU A 76 63.037 4.982 3.237 1.00 1.51 C ATOM 1122 CD GLU A 76 62.747 4.766 4.724 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.554 4.126 5.378 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.723 5.245 5.183 1.00 1.94 O ATOM 0 H GLU A 76 62.941 5.022 0.992 1.00 0.77 H new ATOM 0 HA GLU A 76 65.537 5.577 1.988 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.793 3.100 2.487 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.855 3.884 3.640 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.299 6.024 3.055 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.145 4.770 2.647 1.00 1.51 H new ATOM 1131 N PHE A 77 65.456 2.896 0.131 1.00 0.72 N ATOM 1132 CA PHE A 77 66.368 1.914 -0.521 1.00 0.73 C ATOM 1133 C PHE A 77 67.552 2.649 -1.150 1.00 0.67 C ATOM 1134 O PHE A 77 68.691 2.435 -0.787 1.00 0.69 O ATOM 1135 CB PHE A 77 65.519 1.236 -1.598 1.00 0.84 C ATOM 1136 CG PHE A 77 66.209 -0.025 -2.065 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.741 -0.922 -1.131 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.315 -0.298 -3.436 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.379 -2.090 -1.566 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.954 -1.467 -3.869 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.487 -2.362 -2.935 1.00 1.46 C ATOM 0 H PHE A 77 64.482 2.851 -0.168 1.00 0.72 H new ATOM 0 HA PHE A 77 66.776 1.190 0.184 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.532 0.998 -1.201 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.370 1.914 -2.438 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.659 -0.713 -0.075 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.904 0.392 -4.158 1.00 1.83 H new ATOM 0 HE1 PHE A 77 67.788 -2.782 -0.845 1.00 1.48 H new ATOM 0 HE2 PHE A 77 67.035 -1.678 -4.925 1.00 2.03 H new ATOM 0 HZ PHE A 77 67.981 -3.262 -3.270 1.00 1.46 H new ATOM 1151 N LEU A 78 67.292 3.525 -2.081 1.00 0.66 N ATOM 1152 CA LEU A 78 68.405 4.281 -2.723 1.00 0.68 C ATOM 1153 C LEU A 78 69.188 5.049 -1.657 1.00 0.62 C ATOM 1154 O LEU A 78 70.298 5.489 -1.881 1.00 0.64 O ATOM 1155 CB LEU A 78 67.727 5.245 -3.699 1.00 0.77 C ATOM 1156 CG LEU A 78 66.779 4.473 -4.620 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.368 5.366 -5.792 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.489 3.227 -5.157 1.00 1.41 C ATOM 0 H LEU A 78 66.358 3.750 -2.425 1.00 0.66 H new ATOM 0 HA LEU A 78 69.113 3.628 -3.234 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.173 6.005 -3.148 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.480 5.766 -4.291 1.00 0.77 H new ATOM 0 HG LEU A 78 65.893 4.174 -4.060 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.693 4.817 -6.448 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.863 6.254 -5.413 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.255 5.664 -6.351 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.814 2.678 -5.813 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.375 3.526 -5.717 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.785 2.589 -4.324 1.00 1.41 H new ATOM 1170 N VAL A 79 68.618 5.205 -0.494 1.00 0.59 N ATOM 1171 CA VAL A 79 69.326 5.934 0.594 1.00 0.61 C ATOM 1172 C VAL A 79 70.198 4.961 1.388 1.00 0.63 C ATOM 1173 O VAL A 79 71.133 5.350 2.060 1.00 0.68 O ATOM 1174 CB VAL A 79 68.214 6.504 1.475 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.831 7.280 2.641 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.343 7.444 0.642 1.00 0.70 C ATOM 0 H VAL A 79 67.690 4.858 -0.250 1.00 0.59 H new ATOM 0 HA VAL A 79 69.983 6.717 0.215 1.00 0.61 H new ATOM 0 HB VAL A 79 67.604 5.689 1.866 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.037 7.686 3.268 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.456 6.611 3.233 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.440 8.096 2.253 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.549 7.853 1.266 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.955 8.258 0.254 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.904 6.892 -0.189 1.00 0.70 H new ATOM 1186 N MET A 80 69.896 3.694 1.313 1.00 0.65 N ATOM 1187 CA MET A 80 70.704 2.686 2.060 1.00 0.72 C ATOM 1188 C MET A 80 72.035 2.441 1.344 1.00 0.71 C ATOM 1189 O MET A 80 72.926 1.807 1.875 1.00 0.76 O ATOM 1190 CB MET A 80 69.852 1.416 2.062 1.00 0.80 C ATOM 1191 CG MET A 80 69.620 0.957 3.503 1.00 1.12 C ATOM 1192 SD MET A 80 69.620 -0.852 3.567 1.00 2.17 S ATOM 1193 CE MET A 80 67.975 -1.055 4.292 1.00 2.77 C ATOM 0 H MET A 80 69.124 3.312 0.767 1.00 0.65 H new ATOM 0 HA MET A 80 70.944 3.015 3.071 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.897 1.606 1.572 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.351 0.630 1.495 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.400 1.355 4.153 1.00 1.12 H new ATOM 0 HG3 MET A 80 68.670 1.345 3.871 1.00 1.12 H new ATOM 0 HE1 MET A 80 67.884 -2.056 4.714 1.00 2.77 H new ATOM 0 HE2 MET A 80 67.831 -0.315 5.079 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.218 -0.916 3.520 1.00 2.77 H new ATOM 1203 N MET A 81 72.184 2.945 0.150 1.00 0.69 N ATOM 1204 CA MET A 81 73.469 2.745 -0.584 1.00 0.74 C ATOM 1205 C MET A 81 74.288 4.035 -0.542 1.00 0.75 C ATOM 1206 O MET A 81 75.496 4.021 -0.681 1.00 0.82 O ATOM 1207 CB MET A 81 73.131 2.372 -2.047 1.00 0.73 C ATOM 1208 CG MET A 81 71.616 2.315 -2.294 1.00 0.89 C ATOM 1209 SD MET A 81 70.902 0.937 -1.361 1.00 1.41 S ATOM 1210 CE MET A 81 71.873 -0.383 -2.128 1.00 1.21 C ATOM 0 H MET A 81 71.476 3.484 -0.349 1.00 0.69 H new ATOM 0 HA MET A 81 74.055 1.950 -0.124 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.580 3.102 -2.720 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.573 1.405 -2.285 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.152 3.253 -1.990 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.415 2.190 -3.358 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.211 -1.197 -2.424 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.385 0.006 -3.008 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.608 -0.755 -1.415 1.00 1.21 H new ATOM 1220 N VAL A 82 73.643 5.151 -0.339 1.00 0.72 N ATOM 1221 CA VAL A 82 74.387 6.440 -0.277 1.00 0.78 C ATOM 1222 C VAL A 82 75.301 6.448 0.949 1.00 0.81 C ATOM 1223 O VAL A 82 76.313 7.120 0.981 1.00 0.93 O ATOM 1224 CB VAL A 82 73.308 7.515 -0.150 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.969 8.891 -0.050 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.400 7.474 -1.382 1.00 1.36 C ATOM 0 H VAL A 82 72.634 5.226 -0.213 1.00 0.72 H new ATOM 0 HA VAL A 82 75.017 6.603 -1.151 1.00 0.78 H new ATOM 0 HB VAL A 82 72.715 7.331 0.746 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.200 9.658 0.041 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.616 8.921 0.826 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.562 9.076 -0.946 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.630 8.240 -1.292 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.993 7.659 -2.278 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.929 6.494 -1.455 1.00 1.36 H new ATOM 1236 N ARG A 83 74.951 5.699 1.958 1.00 0.79 N ATOM 1237 CA ARG A 83 75.797 5.653 3.185 1.00 0.85 C ATOM 1238 C ARG A 83 76.668 4.395 3.171 1.00 0.90 C ATOM 1239 O ARG A 83 77.650 4.298 3.881 1.00 1.00 O ATOM 1240 CB ARG A 83 74.805 5.607 4.347 1.00 0.87 C ATOM 1241 CG ARG A 83 74.750 6.977 5.023 1.00 1.07 C ATOM 1242 CD ARG A 83 74.005 6.861 6.355 1.00 0.92 C ATOM 1243 NE ARG A 83 75.075 6.769 7.387 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.882 7.279 8.573 1.00 1.83 C ATOM 1245 NH1 ARG A 83 73.701 7.218 9.124 1.00 2.14 N ATOM 1246 NH2 ARG A 83 75.871 7.847 9.207 1.00 2.49 N ATOM 0 H ARG A 83 74.115 5.116 1.986 1.00 0.79 H new ATOM 0 HA ARG A 83 76.470 6.507 3.260 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.816 5.328 3.984 1.00 0.87 H new ATOM 0 HB3 ARG A 83 75.106 4.846 5.067 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.760 7.352 5.191 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.247 7.694 4.374 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.365 7.726 6.526 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.362 5.981 6.373 1.00 0.92 H new ATOM 0 HE ARG A 83 75.958 6.308 7.167 1.00 1.62 H new ATOM 0 HH11 ARG A 83 72.929 6.772 8.628 1.00 2.14 H new ATOM 0 HH12 ARG A 83 73.549 7.616 10.051 1.00 2.14 H new ATOM 0 HH21 ARG A 83 76.794 7.892 8.776 1.00 2.49 H new ATOM 0 HH22 ARG A 83 75.721 8.246 10.134 1.00 2.49 H new ATOM 1260 N SER A 84 76.314 3.428 2.369 1.00 0.92 N ATOM 1261 CA SER A 84 77.119 2.174 2.310 1.00 1.01 C ATOM 1262 C SER A 84 77.615 1.931 0.881 1.00 1.06 C ATOM 1263 O SER A 84 77.929 0.819 0.505 1.00 1.38 O ATOM 1264 CB SER A 84 76.158 1.067 2.739 1.00 1.04 C ATOM 1265 OG SER A 84 76.765 0.289 3.762 1.00 1.52 O ATOM 0 H SER A 84 75.502 3.452 1.752 1.00 0.92 H new ATOM 0 HA SER A 84 78.001 2.218 2.949 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.225 1.499 3.100 1.00 1.04 H new ATOM 0 HB3 SER A 84 75.908 0.436 1.886 1.00 1.04 H new ATOM 0 HG SER A 84 76.250 -0.534 3.896 1.00 1.52 H new ATOM 1271 N MET A 85 77.690 2.961 0.085 1.00 0.00 N ATOM 1272 CA MET A 85 78.167 2.786 -1.317 1.00 0.00 C ATOM 1273 C MET A 85 79.693 2.656 -1.342 1.00 0.00 C ATOM 1274 O MET A 85 80.262 2.067 -2.239 1.00 0.00 O ATOM 1275 CB MET A 85 77.723 4.052 -2.049 1.00 0.00 C ATOM 1276 CG MET A 85 76.604 3.708 -3.032 1.00 0.00 C ATOM 1277 SD MET A 85 77.277 3.631 -4.710 1.00 0.00 S ATOM 1278 CE MET A 85 75.701 3.749 -5.592 1.00 0.00 C ATOM 0 H MET A 85 77.442 3.916 0.344 1.00 0.00 H new ATOM 0 HA MET A 85 77.764 1.886 -1.782 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.376 4.796 -1.332 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.566 4.492 -2.581 1.00 0.00 H new ATOM 0 HG2 MET A 85 76.153 2.752 -2.766 1.00 0.00 H new ATOM 0 HG3 MET A 85 75.816 4.459 -2.979 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.888 3.952 -6.646 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.158 2.809 -5.494 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.106 4.557 -5.167 1.00 0.00 H new