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 -166:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot 115:sc= -1.15 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.303 USER MOD Set 3.1: A 45 MET CE :methyl -174:sc= -1.67 (180deg=-0.398) USER MOD Set 3.2: A 50 GLN : amide:sc= -1.47 X(o=-3.1,f=-3.4) USER MOD Set 4.1: A 16 GLN : amide:sc= -0.862 K(o=-1,f=-4.2!) USER MOD Set 4.2: A 85 MET CE :methyl 156:sc= -0.16 (180deg=-0.776) 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= -0.167 X(o=-0.17,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.88) USER MOD Single : A 21 LYS NZ :NH3+ -123:sc= 0.561 (180deg=-0.00335) USER MOD Single : A 35 SER OG : rot 180:sc= -0.942 USER MOD Single : A 37 SER OG : rot 130:sc= -4.74! USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.436 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 47 MET CE :methyl -165:sc= -6.23! (180deg=-7!) USER MOD Single : A 51 ASN : amide:sc= -0.0853 K(o=-0.085,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00968 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.75! C(o=-3.3!,f=-1.7!) USER MOD Single : A 80 MET CE :methyl -154:sc= -6.54! (180deg=-7.39!) USER MOD Single : A 81 MET CE :methyl -148:sc= -0.521 (180deg=-2.58!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 70.179 12.498 1.185 1.00 0.88 N ATOM 45 CA TYR A 5 70.663 11.384 0.319 1.00 0.86 C ATOM 46 C TYR A 5 70.004 11.463 -1.060 1.00 0.78 C ATOM 47 O TYR A 5 70.548 11.003 -2.045 1.00 0.79 O ATOM 48 CB TYR A 5 70.242 10.105 1.043 1.00 1.02 C ATOM 49 CG TYR A 5 70.591 10.219 2.508 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.902 9.983 2.936 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.602 10.564 3.437 1.00 1.94 C ATOM 52 CE1 TYR A 5 72.225 10.090 4.294 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.925 10.671 4.795 1.00 2.20 C ATOM 54 CZ TYR A 5 71.237 10.435 5.223 1.00 1.77 C ATOM 55 OH TYR A 5 71.556 10.541 6.561 1.00 2.07 O ATOM 0 HA TYR A 5 71.740 11.424 0.159 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.171 9.943 0.925 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.745 9.243 0.604 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.665 9.718 2.219 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.590 10.747 3.106 1.00 1.94 H new ATOM 0 HE1 TYR A 5 73.237 9.906 4.625 1.00 1.80 H new ATOM 0 HE2 TYR A 5 69.162 10.936 5.512 1.00 2.20 H new ATOM 0 HH TYR A 5 70.756 10.789 7.069 1.00 2.07 H new ATOM 65 N LYS A 6 68.839 12.046 -1.140 1.00 0.89 N ATOM 66 CA LYS A 6 68.152 12.153 -2.459 1.00 1.01 C ATOM 67 C LYS A 6 69.095 12.784 -3.487 1.00 0.98 C ATOM 68 O LYS A 6 69.297 12.258 -4.563 1.00 1.00 O ATOM 69 CB LYS A 6 66.948 13.061 -2.207 1.00 1.28 C ATOM 70 CG LYS A 6 65.792 12.643 -3.119 1.00 1.60 C ATOM 71 CD LYS A 6 65.809 13.496 -4.389 1.00 2.04 C ATOM 72 CE LYS A 6 64.406 14.045 -4.655 1.00 2.60 C ATOM 73 NZ LYS A 6 64.391 15.389 -4.015 1.00 3.24 N ATOM 0 H LYS A 6 68.334 12.452 -0.352 1.00 0.89 H new ATOM 0 HA LYS A 6 67.851 11.182 -2.852 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.643 12.996 -1.163 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.217 14.100 -2.397 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.881 11.587 -3.376 1.00 1.60 H new ATOM 0 HG3 LYS A 6 64.842 12.765 -2.599 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.517 14.317 -4.279 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.144 12.898 -5.237 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.205 14.115 -5.724 1.00 2.60 H new ATOM 0 HE3 LYS A 6 63.641 13.396 -4.229 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.459 15.830 -4.155 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.578 15.291 -2.997 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.125 15.987 -4.446 1.00 3.24 H new ATOM 87 N ALA A 7 69.679 13.905 -3.159 1.00 1.07 N ATOM 88 CA ALA A 7 70.612 14.564 -4.117 1.00 1.20 C ATOM 89 C ALA A 7 71.549 13.519 -4.727 1.00 1.08 C ATOM 90 O ALA A 7 71.867 13.564 -5.900 1.00 1.19 O ATOM 91 CB ALA A 7 71.399 15.569 -3.276 1.00 1.36 C ATOM 0 H ALA A 7 69.551 14.392 -2.272 1.00 1.07 H new ATOM 0 HA ALA A 7 70.091 15.050 -4.942 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.110 16.097 -3.911 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.711 16.286 -2.827 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.938 15.042 -2.489 1.00 1.36 H new ATOM 97 N ALA A 8 71.989 12.575 -3.941 1.00 0.95 N ATOM 98 CA ALA A 8 72.900 11.524 -4.476 1.00 0.96 C ATOM 99 C ALA A 8 72.141 10.624 -5.453 1.00 0.90 C ATOM 100 O ALA A 8 72.417 10.605 -6.637 1.00 1.01 O ATOM 101 CB ALA A 8 73.347 10.726 -3.250 1.00 0.98 C ATOM 0 H ALA A 8 71.757 12.486 -2.952 1.00 0.95 H new ATOM 0 HA ALA A 8 73.747 11.944 -5.018 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.023 9.930 -3.561 1.00 0.98 H new ATOM 0 HB2 ALA A 8 73.862 11.388 -2.553 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.475 10.291 -2.761 1.00 0.98 H new ATOM 107 N VAL A 9 71.183 9.881 -4.968 1.00 0.83 N ATOM 108 CA VAL A 9 70.405 8.988 -5.872 1.00 0.82 C ATOM 109 C VAL A 9 70.019 9.741 -7.148 1.00 0.97 C ATOM 110 O VAL A 9 69.924 9.168 -8.215 1.00 1.02 O ATOM 111 CB VAL A 9 69.156 8.605 -5.078 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.246 7.736 -5.947 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.563 7.821 -3.827 1.00 0.70 C ATOM 0 H VAL A 9 70.906 9.854 -3.987 1.00 0.83 H new ATOM 0 HA VAL A 9 70.976 8.111 -6.177 1.00 0.82 H new ATOM 0 HB VAL A 9 68.624 9.510 -4.783 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.355 7.463 -5.381 1.00 1.05 H new ATOM 0 HG12 VAL A 9 67.954 8.292 -6.838 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.780 6.833 -6.243 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.671 7.549 -3.262 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.096 6.917 -4.122 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.212 8.438 -3.206 1.00 0.70 H new ATOM 123 N GLU A 10 69.798 11.023 -7.045 1.00 1.12 N ATOM 124 CA GLU A 10 69.420 11.814 -8.251 1.00 1.32 C ATOM 125 C GLU A 10 70.584 11.851 -9.244 1.00 1.37 C ATOM 126 O GLU A 10 70.391 11.984 -10.437 1.00 1.56 O ATOM 127 CB GLU A 10 69.118 13.219 -7.725 1.00 1.51 C ATOM 128 CG GLU A 10 67.603 13.413 -7.626 1.00 1.80 C ATOM 129 CD GLU A 10 67.002 13.468 -9.032 1.00 2.02 C ATOM 130 OE1 GLU A 10 66.929 14.556 -9.581 1.00 2.28 O ATOM 131 OE2 GLU A 10 66.626 12.424 -9.536 1.00 2.61 O ATOM 0 H GLU A 10 69.863 11.557 -6.178 1.00 1.12 H new ATOM 0 HA GLU A 10 68.567 11.384 -8.777 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.578 13.359 -6.747 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.548 13.968 -8.390 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.157 12.595 -7.060 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.378 14.333 -7.087 1.00 1.80 H new ATOM 138 N GLN A 11 71.792 11.734 -8.763 1.00 1.29 N ATOM 139 CA GLN A 11 72.968 11.761 -9.680 1.00 1.45 C ATOM 140 C GLN A 11 73.458 10.336 -9.958 1.00 1.35 C ATOM 141 O GLN A 11 74.427 10.129 -10.659 1.00 1.53 O ATOM 142 CB GLN A 11 74.038 12.557 -8.933 1.00 1.61 C ATOM 143 CG GLN A 11 73.576 14.007 -8.765 1.00 2.13 C ATOM 144 CD GLN A 11 74.539 14.746 -7.834 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.132 15.736 -8.215 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.721 14.302 -6.620 1.00 2.71 N ATOM 0 H GLN A 11 72.016 11.621 -7.774 1.00 1.29 H new ATOM 0 HA GLN A 11 72.726 12.208 -10.644 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.224 12.109 -7.957 1.00 1.61 H new ATOM 0 HB3 GLN A 11 74.979 12.526 -9.483 1.00 1.61 H new ATOM 0 HG2 GLN A 11 73.539 14.503 -9.735 1.00 2.13 H new ATOM 0 HG3 GLN A 11 72.566 14.033 -8.356 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.223 13.471 -6.301 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.361 14.786 -5.991 1.00 2.71 H new ATOM 155 N LEU A 12 72.796 9.354 -9.410 1.00 1.18 N ATOM 156 CA LEU A 12 73.225 7.945 -9.641 1.00 1.21 C ATOM 157 C LEU A 12 73.271 7.641 -11.140 1.00 1.11 C ATOM 158 O LEU A 12 72.905 8.459 -11.962 1.00 1.25 O ATOM 159 CB LEU A 12 72.160 7.089 -8.953 1.00 1.32 C ATOM 160 CG LEU A 12 72.669 6.640 -7.582 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.663 5.674 -6.954 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.017 5.934 -7.746 1.00 1.68 C ATOM 0 H LEU A 12 71.977 9.466 -8.813 1.00 1.18 H new ATOM 0 HA LEU A 12 74.223 7.749 -9.249 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.238 7.659 -8.841 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.925 6.220 -9.567 1.00 1.32 H new ATOM 0 HG LEU A 12 72.788 7.510 -6.937 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.026 5.355 -5.977 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.702 6.175 -6.838 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.543 4.804 -7.599 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.381 5.613 -6.770 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.896 5.064 -8.392 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.735 6.621 -8.193 1.00 1.68 H new ATOM 174 N THR A 13 73.717 6.469 -11.503 1.00 1.05 N ATOM 175 CA THR A 13 73.786 6.109 -12.949 1.00 1.13 C ATOM 176 C THR A 13 72.684 5.104 -13.295 1.00 0.94 C ATOM 177 O THR A 13 72.274 4.310 -12.472 1.00 0.87 O ATOM 178 CB THR A 13 75.166 5.475 -13.135 1.00 1.38 C ATOM 179 OG1 THR A 13 75.425 4.584 -12.059 1.00 1.89 O ATOM 180 CG2 THR A 13 76.234 6.569 -13.164 1.00 1.68 C ATOM 0 H THR A 13 74.037 5.744 -10.860 1.00 1.05 H new ATOM 0 HA THR A 13 73.644 6.974 -13.597 1.00 1.13 H new ATOM 0 HB THR A 13 75.189 4.925 -14.076 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.308 4.176 -12.178 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.216 6.115 -13.297 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.034 7.250 -13.991 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.214 7.122 -12.225 1.00 1.68 H new ATOM 188 N GLU A 14 72.199 5.134 -14.506 1.00 0.94 N ATOM 189 CA GLU A 14 71.123 4.179 -14.902 1.00 0.90 C ATOM 190 C GLU A 14 71.486 2.758 -14.463 1.00 0.82 C ATOM 191 O GLU A 14 70.635 1.981 -14.072 1.00 0.82 O ATOM 192 CB GLU A 14 71.057 4.266 -16.427 1.00 1.05 C ATOM 193 CG GLU A 14 70.455 5.610 -16.840 1.00 2.10 C ATOM 194 CD GLU A 14 71.540 6.485 -17.469 1.00 2.64 C ATOM 195 OE1 GLU A 14 72.430 6.902 -16.744 1.00 2.91 O ATOM 196 OE2 GLU A 14 71.465 6.722 -18.662 1.00 3.31 O ATOM 0 H GLU A 14 72.500 5.777 -15.238 1.00 0.94 H new ATOM 0 HA GLU A 14 70.167 4.421 -14.437 1.00 0.90 H new ATOM 0 HB2 GLU A 14 72.055 4.158 -16.851 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.453 3.449 -16.822 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.643 5.454 -17.550 1.00 2.10 H new ATOM 0 HG3 GLU A 14 70.027 6.111 -15.971 1.00 2.10 H new ATOM 203 N GLU A 15 72.742 2.409 -14.525 1.00 0.92 N ATOM 204 CA GLU A 15 73.160 1.037 -14.115 1.00 1.01 C ATOM 205 C GLU A 15 72.849 0.804 -12.634 1.00 0.90 C ATOM 206 O GLU A 15 72.544 -0.298 -12.219 1.00 0.89 O ATOM 207 CB GLU A 15 74.669 0.994 -14.359 1.00 1.23 C ATOM 208 CG GLU A 15 75.006 -0.189 -15.271 1.00 1.92 C ATOM 209 CD GLU A 15 75.714 -1.275 -14.458 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.584 -0.929 -13.675 1.00 2.90 O ATOM 211 OE2 GLU A 15 75.377 -2.434 -14.633 1.00 2.80 O ATOM 0 H GLU A 15 73.498 3.015 -14.842 1.00 0.92 H new ATOM 0 HA GLU A 15 72.633 0.263 -14.673 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.001 1.926 -14.817 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.199 0.899 -13.411 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.095 -0.589 -15.717 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.644 0.141 -16.091 1.00 1.92 H new ATOM 218 N GLN A 16 72.925 1.830 -11.831 1.00 0.89 N ATOM 219 CA GLN A 16 72.636 1.664 -10.378 1.00 0.87 C ATOM 220 C GLN A 16 71.125 1.580 -10.141 1.00 0.68 C ATOM 221 O GLN A 16 70.650 0.746 -9.397 1.00 0.67 O ATOM 222 CB GLN A 16 73.212 2.917 -9.716 1.00 0.97 C ATOM 223 CG GLN A 16 74.738 2.818 -9.676 1.00 1.77 C ATOM 224 CD GLN A 16 75.171 2.157 -8.366 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.820 1.025 -8.100 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.925 2.820 -7.533 1.00 2.61 N ATOM 0 H GLN A 16 73.175 2.776 -12.118 1.00 0.89 H new ATOM 0 HA GLN A 16 73.070 0.750 -9.974 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.909 3.806 -10.270 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.817 3.021 -8.705 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.098 2.237 -10.525 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.180 3.811 -9.758 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.219 3.771 -7.757 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.220 2.388 -6.658 1.00 2.61 H new ATOM 235 N LYS A 17 70.370 2.440 -10.766 1.00 0.63 N ATOM 236 CA LYS A 17 68.891 2.414 -10.576 1.00 0.62 C ATOM 237 C LYS A 17 68.305 1.109 -11.126 1.00 0.60 C ATOM 238 O LYS A 17 67.646 0.370 -10.422 1.00 0.66 O ATOM 239 CB LYS A 17 68.374 3.614 -11.370 1.00 0.74 C ATOM 240 CG LYS A 17 67.249 4.296 -10.590 1.00 1.21 C ATOM 241 CD LYS A 17 67.840 5.068 -9.409 1.00 1.31 C ATOM 242 CE LYS A 17 68.643 6.264 -9.928 1.00 1.43 C ATOM 243 NZ LYS A 17 67.678 7.398 -9.945 1.00 2.06 N ATOM 0 H LYS A 17 70.713 3.161 -11.401 1.00 0.63 H new ATOM 0 HA LYS A 17 68.607 2.465 -9.525 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.185 4.320 -11.552 1.00 0.74 H new ATOM 0 HB3 LYS A 17 68.010 3.289 -12.345 1.00 0.74 H new ATOM 0 HG2 LYS A 17 66.699 4.974 -11.243 1.00 1.21 H new ATOM 0 HG3 LYS A 17 66.538 3.552 -10.232 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.042 5.411 -8.750 1.00 1.31 H new ATOM 0 HD3 LYS A 17 68.482 4.414 -8.819 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.493 6.479 -9.281 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.041 6.070 -10.924 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.156 8.255 -10.290 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 66.883 7.168 -10.574 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.321 7.564 -8.983 1.00 2.06 H new ATOM 257 N ASN A 18 68.537 0.822 -12.378 1.00 0.70 N ATOM 258 CA ASN A 18 67.990 -0.435 -12.966 1.00 0.85 C ATOM 259 C ASN A 18 68.201 -1.607 -12.001 1.00 0.70 C ATOM 260 O ASN A 18 67.300 -2.378 -11.741 1.00 0.66 O ATOM 261 CB ASN A 18 68.787 -0.651 -14.252 1.00 1.11 C ATOM 262 CG ASN A 18 68.017 -0.064 -15.437 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.815 -0.216 -15.531 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.663 0.606 -16.352 1.00 2.13 N ATOM 0 H ASN A 18 69.080 1.401 -13.018 1.00 0.70 H new ATOM 0 HA ASN A 18 66.919 -0.369 -13.156 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.765 -0.177 -14.170 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.961 -1.715 -14.410 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.159 1.002 -17.146 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.672 0.734 -16.274 1.00 2.13 H new ATOM 271 N GLU A 19 69.386 -1.745 -11.471 1.00 0.76 N ATOM 272 CA GLU A 19 69.655 -2.867 -10.527 1.00 0.79 C ATOM 273 C GLU A 19 68.822 -2.700 -9.252 1.00 0.65 C ATOM 274 O GLU A 19 68.174 -3.623 -8.799 1.00 0.66 O ATOM 275 CB GLU A 19 71.147 -2.768 -10.209 1.00 0.98 C ATOM 276 CG GLU A 19 71.740 -4.175 -10.099 1.00 1.21 C ATOM 277 CD GLU A 19 73.096 -4.215 -10.805 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.943 -3.404 -10.468 1.00 2.53 O ATOM 279 OE2 GLU A 19 73.266 -5.057 -11.671 1.00 2.44 O ATOM 0 H GLU A 19 70.179 -1.129 -11.651 1.00 0.76 H new ATOM 0 HA GLU A 19 69.392 -3.835 -10.952 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.660 -2.206 -10.990 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.296 -2.225 -9.275 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.856 -4.451 -9.051 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.063 -4.902 -10.547 1.00 1.21 H new ATOM 286 N PHE A 20 68.834 -1.532 -8.669 1.00 0.67 N ATOM 287 CA PHE A 20 68.044 -1.313 -7.424 1.00 0.75 C ATOM 288 C PHE A 20 66.544 -1.386 -7.726 1.00 0.66 C ATOM 289 O PHE A 20 65.797 -2.059 -7.045 1.00 0.79 O ATOM 290 CB PHE A 20 68.425 0.091 -6.952 1.00 0.97 C ATOM 291 CG PHE A 20 69.918 0.165 -6.730 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.630 -0.981 -6.355 1.00 2.24 C ATOM 293 CD2 PHE A 20 70.590 1.381 -6.899 1.00 2.35 C ATOM 294 CE1 PHE A 20 72.013 -0.910 -6.149 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.972 1.452 -6.691 1.00 3.36 C ATOM 296 CZ PHE A 20 72.684 0.307 -6.316 1.00 3.69 C ATOM 0 H PHE A 20 69.356 -0.721 -9.001 1.00 0.67 H new ATOM 0 HA PHE A 20 68.253 -2.069 -6.667 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.121 0.830 -7.694 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.898 0.330 -6.029 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.112 -1.920 -6.225 1.00 2.24 H new ATOM 0 HD2 PHE A 20 70.042 2.265 -7.190 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.562 -1.794 -5.861 1.00 3.29 H new ATOM 0 HE2 PHE A 20 72.490 2.391 -6.820 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.751 0.362 -6.156 1.00 3.69 H new ATOM 306 N LYS A 21 66.098 -0.696 -8.740 1.00 0.60 N ATOM 307 CA LYS A 21 64.647 -0.727 -9.081 1.00 0.65 C ATOM 308 C LYS A 21 64.220 -2.149 -9.456 1.00 0.57 C ATOM 309 O LYS A 21 63.097 -2.552 -9.228 1.00 0.57 O ATOM 310 CB LYS A 21 64.499 0.213 -10.278 1.00 0.78 C ATOM 311 CG LYS A 21 63.429 1.263 -9.973 1.00 1.27 C ATOM 312 CD LYS A 21 62.160 0.568 -9.474 1.00 1.58 C ATOM 313 CE LYS A 21 61.847 1.036 -8.051 1.00 2.42 C ATOM 314 NZ LYS A 21 60.747 0.146 -7.588 1.00 2.88 N ATOM 0 H LYS A 21 66.675 -0.113 -9.346 1.00 0.60 H new ATOM 0 HA LYS A 21 64.021 -0.420 -8.244 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.451 0.700 -10.492 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.224 -0.354 -11.167 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.794 1.962 -9.220 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.210 1.845 -10.868 1.00 1.27 H new ATOM 0 HD2 LYS A 21 61.324 0.796 -10.135 1.00 1.58 H new ATOM 0 HD3 LYS A 21 62.294 -0.514 -9.491 1.00 1.58 H new ATOM 0 HE2 LYS A 21 62.722 0.951 -7.406 1.00 2.42 H new ATOM 0 HE3 LYS A 21 61.541 2.082 -8.038 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 59.929 0.723 -7.307 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 60.471 -0.494 -8.359 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 61.072 -0.413 -6.774 1.00 2.88 H new ATOM 328 N ALA A 22 65.108 -2.912 -10.033 1.00 0.59 N ATOM 329 CA ALA A 22 64.752 -4.307 -10.423 1.00 0.62 C ATOM 330 C ALA A 22 64.746 -5.217 -9.190 1.00 0.50 C ATOM 331 O ALA A 22 63.874 -6.046 -9.025 1.00 0.50 O ATOM 332 CB ALA A 22 65.846 -4.736 -11.401 1.00 0.76 C ATOM 0 H ALA A 22 66.064 -2.631 -10.251 1.00 0.59 H new ATOM 0 HA ALA A 22 63.759 -4.371 -10.868 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.655 -5.756 -11.736 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.848 -4.066 -12.261 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.815 -4.692 -10.905 1.00 0.76 H new ATOM 338 N ALA A 23 65.712 -5.067 -8.325 1.00 0.50 N ATOM 339 CA ALA A 23 65.760 -5.924 -7.105 1.00 0.53 C ATOM 340 C ALA A 23 64.559 -5.630 -6.202 1.00 0.46 C ATOM 341 O ALA A 23 63.829 -6.521 -5.813 1.00 0.52 O ATOM 342 CB ALA A 23 67.064 -5.543 -6.405 1.00 0.64 C ATOM 0 H ALA A 23 66.469 -4.389 -8.410 1.00 0.50 H new ATOM 0 HA ALA A 23 65.722 -6.986 -7.346 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.174 -6.132 -5.494 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.905 -5.742 -7.069 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.045 -4.483 -6.151 1.00 0.64 H new ATOM 348 N PHE A 24 64.348 -4.387 -5.864 1.00 0.47 N ATOM 349 CA PHE A 24 63.194 -4.037 -4.987 1.00 0.57 C ATOM 350 C PHE A 24 61.915 -4.698 -5.506 1.00 0.48 C ATOM 351 O PHE A 24 61.109 -5.197 -4.746 1.00 0.51 O ATOM 352 CB PHE A 24 63.084 -2.514 -5.068 1.00 0.77 C ATOM 353 CG PHE A 24 61.789 -2.068 -4.434 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.604 -2.084 -5.178 1.00 1.54 C ATOM 355 CD2 PHE A 24 61.774 -1.637 -3.103 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.403 -1.668 -4.591 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.573 -1.222 -2.514 1.00 1.72 C ATOM 358 CZ PHE A 24 59.388 -1.238 -3.258 1.00 1.25 C ATOM 0 H PHE A 24 64.925 -3.599 -6.157 1.00 0.47 H new ATOM 0 HA PHE A 24 63.334 -4.381 -3.962 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.929 -2.050 -4.559 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.122 -2.191 -6.108 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.616 -2.417 -6.205 1.00 1.54 H new ATOM 0 HD2 PHE A 24 62.689 -1.624 -2.529 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.489 -1.679 -5.166 1.00 1.62 H new ATOM 0 HE2 PHE A 24 60.561 -0.890 -1.486 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.461 -0.919 -2.804 1.00 1.25 H new ATOM 368 N ASP A 25 61.721 -4.706 -6.796 1.00 0.45 N ATOM 369 CA ASP A 25 60.495 -5.336 -7.363 1.00 0.53 C ATOM 370 C ASP A 25 60.567 -6.858 -7.222 1.00 0.52 C ATOM 371 O ASP A 25 59.560 -7.537 -7.198 1.00 0.60 O ATOM 372 CB ASP A 25 60.489 -4.931 -8.839 1.00 0.66 C ATOM 373 CG ASP A 25 59.506 -5.815 -9.609 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.807 -6.984 -9.788 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.469 -5.310 -10.006 1.00 1.52 O ATOM 0 H ASP A 25 62.359 -4.303 -7.483 1.00 0.45 H new ATOM 0 HA ASP A 25 59.589 -5.015 -6.849 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.206 -3.883 -8.938 1.00 0.66 H new ATOM 0 HB3 ASP A 25 61.490 -5.032 -9.258 1.00 0.66 H new ATOM 380 N ILE A 26 61.750 -7.400 -7.128 1.00 0.50 N ATOM 381 CA ILE A 26 61.885 -8.878 -6.986 1.00 0.63 C ATOM 382 C ILE A 26 61.953 -9.265 -5.507 1.00 0.70 C ATOM 383 O ILE A 26 61.788 -10.413 -5.147 1.00 0.94 O ATOM 384 CB ILE A 26 63.196 -9.227 -7.691 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.157 -8.700 -9.128 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.377 -10.746 -7.711 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.585 -8.494 -9.634 1.00 0.69 C ATOM 0 H ILE A 26 62.629 -6.884 -7.143 1.00 0.50 H new ATOM 0 HA ILE A 26 61.037 -9.411 -7.415 1.00 0.63 H new ATOM 0 HB ILE A 26 64.029 -8.769 -7.157 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.630 -9.405 -9.771 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.607 -7.760 -9.167 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.312 -10.994 -8.214 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.404 -11.123 -6.689 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.545 -11.205 -8.245 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.558 -8.119 -10.657 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.096 -7.773 -8.996 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.120 -9.443 -9.610 1.00 0.69 H new ATOM 399 N PHE A 27 62.196 -8.314 -4.647 1.00 0.61 N ATOM 400 CA PHE A 27 62.276 -8.626 -3.191 1.00 0.79 C ATOM 401 C PHE A 27 60.990 -8.193 -2.484 1.00 0.76 C ATOM 402 O PHE A 27 60.759 -8.524 -1.337 1.00 1.03 O ATOM 403 CB PHE A 27 63.466 -7.818 -2.677 1.00 0.91 C ATOM 404 CG PHE A 27 64.750 -8.474 -3.122 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.965 -9.834 -2.872 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.725 -7.720 -3.786 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.157 -10.441 -3.285 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.917 -8.328 -4.200 1.00 2.83 C ATOM 409 CZ PHE A 27 67.132 -9.688 -3.949 1.00 3.21 C ATOM 0 H PHE A 27 62.343 -7.334 -4.889 1.00 0.61 H new ATOM 0 HA PHE A 27 62.396 -9.693 -3.005 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.417 -6.797 -3.056 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.435 -7.756 -1.589 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.212 -10.415 -2.361 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.558 -6.671 -3.979 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.324 -11.490 -3.091 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.670 -7.748 -4.713 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.051 -10.157 -4.268 1.00 3.21 H new ATOM 419 N VAL A 28 60.152 -7.454 -3.155 1.00 0.63 N ATOM 420 CA VAL A 28 58.886 -6.999 -2.521 1.00 0.65 C ATOM 421 C VAL A 28 57.745 -7.957 -2.883 1.00 0.65 C ATOM 422 O VAL A 28 56.622 -7.789 -2.452 1.00 0.74 O ATOM 423 CB VAL A 28 58.657 -5.595 -3.095 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.159 -5.301 -3.222 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.295 -4.568 -2.162 1.00 1.47 C ATOM 0 H VAL A 28 60.290 -7.145 -4.117 1.00 0.63 H new ATOM 0 HA VAL A 28 58.930 -6.983 -1.432 1.00 0.65 H new ATOM 0 HB VAL A 28 59.108 -5.539 -4.086 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.018 -4.300 -3.631 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.700 -6.033 -3.887 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.692 -5.360 -2.239 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.138 -3.566 -2.562 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.839 -4.641 -1.175 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.364 -4.763 -2.083 1.00 1.47 H new ATOM 435 N LEU A 29 58.026 -8.961 -3.665 1.00 0.92 N ATOM 436 CA LEU A 29 56.960 -9.930 -4.043 1.00 0.99 C ATOM 437 C LEU A 29 56.224 -10.406 -2.791 1.00 0.99 C ATOM 438 O LEU A 29 55.045 -10.701 -2.821 1.00 1.10 O ATOM 439 CB LEU A 29 57.703 -11.095 -4.691 1.00 1.43 C ATOM 440 CG LEU A 29 57.424 -11.110 -6.194 1.00 1.74 C ATOM 441 CD1 LEU A 29 55.928 -11.326 -6.434 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.848 -9.773 -6.803 1.00 2.45 C ATOM 0 H LEU A 29 58.947 -9.153 -4.059 1.00 0.92 H new ATOM 0 HA LEU A 29 56.217 -9.493 -4.711 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.774 -11.002 -4.511 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.385 -12.036 -4.243 1.00 1.43 H new ATOM 0 HG LEU A 29 57.987 -11.919 -6.660 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.729 -11.337 -7.506 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.623 -12.278 -5.999 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.364 -10.517 -5.968 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.650 -9.782 -7.875 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.284 -8.965 -6.336 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.913 -9.617 -6.632 1.00 2.45 H new ATOM 454 N GLY A 30 56.916 -10.478 -1.689 1.00 1.16 N ATOM 455 CA GLY A 30 56.270 -10.930 -0.427 1.00 1.58 C ATOM 456 C GLY A 30 56.418 -9.837 0.630 1.00 1.39 C ATOM 457 O GLY A 30 56.138 -10.041 1.794 1.00 1.89 O ATOM 0 H GLY A 30 57.905 -10.242 -1.608 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.216 -11.145 -0.600 1.00 1.58 H new ATOM 0 HA3 GLY A 30 56.731 -11.854 -0.079 1.00 1.58 H new ATOM 461 N ALA A 31 56.863 -8.675 0.227 1.00 0.90 N ATOM 462 CA ALA A 31 57.035 -7.559 1.202 1.00 0.95 C ATOM 463 C ALA A 31 55.861 -7.526 2.184 1.00 1.15 C ATOM 464 O ALA A 31 54.826 -8.118 1.952 1.00 1.41 O ATOM 465 CB ALA A 31 57.059 -6.289 0.351 1.00 0.97 C ATOM 0 H ALA A 31 57.115 -8.451 -0.736 1.00 0.90 H new ATOM 0 HA ALA A 31 57.942 -7.668 1.797 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.183 -5.420 0.997 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.889 -6.339 -0.353 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.122 -6.202 -0.199 1.00 0.97 H new ATOM 471 N GLU A 32 56.016 -6.839 3.283 1.00 1.35 N ATOM 472 CA GLU A 32 54.911 -6.773 4.281 1.00 1.90 C ATOM 473 C GLU A 32 53.932 -5.652 3.918 1.00 2.05 C ATOM 474 O GLU A 32 52.731 -5.833 3.947 1.00 2.79 O ATOM 475 CB GLU A 32 55.599 -6.472 5.612 1.00 2.37 C ATOM 476 CG GLU A 32 55.367 -7.634 6.581 1.00 2.44 C ATOM 477 CD GLU A 32 56.201 -8.840 6.144 1.00 2.83 C ATOM 478 OE1 GLU A 32 57.074 -8.660 5.310 1.00 3.29 O ATOM 479 OE2 GLU A 32 55.955 -9.921 6.651 1.00 3.24 O ATOM 0 H GLU A 32 56.859 -6.321 3.533 1.00 1.35 H new ATOM 0 HA GLU A 32 54.334 -7.697 4.318 1.00 1.90 H new ATOM 0 HB2 GLU A 32 56.667 -6.323 5.456 1.00 2.37 H new ATOM 0 HB3 GLU A 32 55.207 -5.547 6.035 1.00 2.37 H new ATOM 0 HG2 GLU A 32 55.641 -7.337 7.593 1.00 2.44 H new ATOM 0 HG3 GLU A 32 54.310 -7.898 6.602 1.00 2.44 H new ATOM 486 N ASP A 33 54.434 -4.498 3.577 1.00 1.80 N ATOM 487 CA ASP A 33 53.527 -3.370 3.215 1.00 2.11 C ATOM 488 C ASP A 33 53.968 -2.736 1.892 1.00 1.47 C ATOM 489 O ASP A 33 53.863 -1.540 1.701 1.00 1.80 O ATOM 490 CB ASP A 33 53.664 -2.368 4.362 1.00 3.12 C ATOM 491 CG ASP A 33 52.865 -1.105 4.034 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.898 -1.213 3.298 1.00 4.12 O ATOM 493 OD2 ASP A 33 53.236 -0.050 4.522 1.00 4.09 O ATOM 0 H ASP A 33 55.431 -4.286 3.533 1.00 1.80 H new ATOM 0 HA ASP A 33 52.496 -3.698 3.080 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.302 -2.810 5.290 1.00 3.12 H new ATOM 0 HB3 ASP A 33 54.713 -2.117 4.517 1.00 3.12 H new ATOM 498 N GLY A 34 54.457 -3.527 0.978 1.00 1.10 N ATOM 499 CA GLY A 34 54.901 -2.968 -0.331 1.00 1.40 C ATOM 500 C GLY A 34 56.284 -2.332 -0.177 1.00 1.17 C ATOM 501 O GLY A 34 56.600 -1.350 -0.820 1.00 1.39 O ATOM 0 H GLY A 34 54.569 -4.536 1.080 1.00 1.10 H new ATOM 0 HA2 GLY A 34 54.935 -3.757 -1.082 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.185 -2.225 -0.682 1.00 1.40 H new ATOM 505 N SER A 35 57.111 -2.882 0.668 1.00 0.84 N ATOM 506 CA SER A 35 58.473 -2.307 0.860 1.00 0.70 C ATOM 507 C SER A 35 59.436 -3.388 1.357 1.00 0.67 C ATOM 508 O SER A 35 59.088 -4.548 1.448 1.00 0.80 O ATOM 509 CB SER A 35 58.297 -1.216 1.915 1.00 0.75 C ATOM 510 OG SER A 35 57.158 -0.429 1.591 1.00 1.04 O ATOM 0 H SER A 35 56.903 -3.705 1.234 1.00 0.84 H new ATOM 0 HA SER A 35 58.891 -1.912 -0.066 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.175 -1.664 2.901 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.187 -0.588 1.958 1.00 0.75 H new ATOM 0 HG SER A 35 57.041 0.271 2.267 1.00 1.04 H new ATOM 516 N ILE A 36 60.644 -3.018 1.681 1.00 0.69 N ATOM 517 CA ILE A 36 61.629 -4.030 2.173 1.00 0.78 C ATOM 518 C ILE A 36 62.272 -3.538 3.473 1.00 0.71 C ATOM 519 O ILE A 36 63.150 -2.699 3.465 1.00 0.98 O ATOM 520 CB ILE A 36 62.698 -4.183 1.072 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.302 -3.418 -0.199 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.854 -5.664 0.726 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.368 -3.630 -1.275 1.00 1.22 C ATOM 0 H ILE A 36 60.994 -2.061 1.628 1.00 0.69 H new ATOM 0 HA ILE A 36 61.146 -4.985 2.379 1.00 0.78 H new ATOM 0 HB ILE A 36 63.636 -3.773 1.448 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.333 -3.765 -0.558 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.198 -2.355 0.021 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.609 -5.778 -0.052 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.163 -6.215 1.615 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.902 -6.056 0.368 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.087 -3.087 -2.177 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.328 -3.261 -0.914 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.450 -4.693 -1.502 1.00 1.22 H new ATOM 535 N SER A 37 61.835 -4.051 4.591 1.00 0.87 N ATOM 536 CA SER A 37 62.416 -3.609 5.894 1.00 0.87 C ATOM 537 C SER A 37 63.733 -4.339 6.169 1.00 0.76 C ATOM 538 O SER A 37 64.069 -5.304 5.512 1.00 0.87 O ATOM 539 CB SER A 37 61.369 -3.985 6.940 1.00 1.12 C ATOM 540 OG SER A 37 60.272 -3.083 6.853 1.00 1.52 O ATOM 0 H SER A 37 61.102 -4.756 4.660 1.00 0.87 H new ATOM 0 HA SER A 37 62.640 -2.542 5.902 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.028 -5.007 6.778 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.806 -3.949 7.938 1.00 1.12 H new ATOM 0 HG SER A 37 59.435 -3.590 6.807 1.00 1.52 H new ATOM 546 N THR A 38 64.479 -3.884 7.139 1.00 0.71 N ATOM 547 CA THR A 38 65.775 -4.553 7.460 1.00 0.65 C ATOM 548 C THR A 38 65.609 -6.073 7.426 1.00 0.70 C ATOM 549 O THR A 38 66.536 -6.802 7.135 1.00 1.37 O ATOM 550 CB THR A 38 66.146 -4.081 8.869 1.00 0.76 C ATOM 551 OG1 THR A 38 67.048 -5.010 9.454 1.00 1.55 O ATOM 552 CG2 THR A 38 64.890 -3.979 9.731 1.00 1.00 C ATOM 0 H THR A 38 64.249 -3.080 7.723 1.00 0.71 H new ATOM 0 HA THR A 38 66.552 -4.302 6.738 1.00 0.65 H new ATOM 0 HB THR A 38 66.617 -3.100 8.807 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.042 -4.902 10.428 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.162 -3.643 10.732 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.199 -3.265 9.284 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.412 -4.956 9.794 1.00 1.00 H new ATOM 560 N LYS A 39 64.434 -6.559 7.717 1.00 0.60 N ATOM 561 CA LYS A 39 64.210 -8.033 7.697 1.00 0.66 C ATOM 562 C LYS A 39 63.921 -8.504 6.269 1.00 0.64 C ATOM 563 O LYS A 39 64.186 -9.635 5.913 1.00 0.87 O ATOM 564 CB LYS A 39 62.996 -8.265 8.595 1.00 0.81 C ATOM 565 CG LYS A 39 62.536 -9.717 8.461 1.00 1.42 C ATOM 566 CD LYS A 39 63.637 -10.648 8.975 1.00 1.58 C ATOM 567 CE LYS A 39 63.007 -11.926 9.534 1.00 2.15 C ATOM 568 NZ LYS A 39 63.366 -11.927 10.980 1.00 2.80 N ATOM 0 H LYS A 39 63.619 -6.000 7.968 1.00 0.60 H new ATOM 0 HA LYS A 39 65.082 -8.587 8.044 1.00 0.66 H new ATOM 0 HB2 LYS A 39 63.250 -8.047 9.632 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.188 -7.589 8.315 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.618 -9.873 9.028 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.310 -9.944 7.419 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.327 -10.893 8.167 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.218 -10.148 9.750 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.926 -11.927 9.395 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.394 -12.811 9.030 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 62.970 -12.774 11.435 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.401 -11.932 11.081 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.978 -11.076 11.435 1.00 2.80 H new ATOM 582 N GLU A 40 63.377 -7.646 5.450 1.00 0.63 N ATOM 583 CA GLU A 40 63.070 -8.046 4.047 1.00 0.68 C ATOM 584 C GLU A 40 64.182 -7.573 3.107 1.00 0.66 C ATOM 585 O GLU A 40 64.479 -8.205 2.113 1.00 0.83 O ATOM 586 CB GLU A 40 61.752 -7.343 3.712 1.00 0.86 C ATOM 587 CG GLU A 40 60.635 -8.380 3.579 1.00 1.05 C ATOM 588 CD GLU A 40 61.078 -9.489 2.620 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.129 -9.342 2.021 1.00 1.92 O ATOM 590 OE2 GLU A 40 60.356 -10.465 2.503 1.00 2.32 O ATOM 0 H GLU A 40 63.132 -6.686 5.691 1.00 0.63 H new ATOM 0 HA GLU A 40 62.996 -9.128 3.934 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.503 -6.624 4.493 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.854 -6.782 2.783 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.398 -8.802 4.556 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.726 -7.906 3.208 1.00 1.05 H new ATOM 597 N LEU A 41 64.798 -6.464 3.414 1.00 0.73 N ATOM 598 CA LEU A 41 65.889 -5.950 2.535 1.00 0.80 C ATOM 599 C LEU A 41 67.159 -6.783 2.724 1.00 0.72 C ATOM 600 O LEU A 41 67.977 -6.894 1.833 1.00 0.81 O ATOM 601 CB LEU A 41 66.120 -4.510 2.992 1.00 1.10 C ATOM 602 CG LEU A 41 67.369 -3.955 2.308 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.162 -2.474 1.990 1.00 1.94 C ATOM 604 CD2 LEU A 41 68.571 -4.113 3.242 1.00 1.83 C ATOM 0 H LEU A 41 64.594 -5.892 4.234 1.00 0.73 H new ATOM 0 HA LEU A 41 65.628 -6.006 1.478 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.254 -3.895 2.746 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.239 -4.475 4.075 1.00 1.10 H new ATOM 0 HG LEU A 41 67.551 -4.502 1.383 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.053 -2.079 1.502 1.00 1.94 H new ATOM 0 HD12 LEU A 41 66.305 -2.361 1.327 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.981 -1.925 2.914 1.00 1.94 H new ATOM 0 HD21 LEU A 41 69.463 -3.718 2.757 1.00 1.83 H new ATOM 0 HD22 LEU A 41 68.388 -3.565 4.166 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.719 -5.169 3.469 1.00 1.83 H new ATOM 616 N GLY A 42 67.332 -7.367 3.878 1.00 0.72 N ATOM 617 CA GLY A 42 68.550 -8.191 4.119 1.00 0.91 C ATOM 618 C GLY A 42 68.812 -9.082 2.902 1.00 0.78 C ATOM 619 O GLY A 42 69.934 -9.466 2.632 1.00 0.84 O ATOM 0 H GLY A 42 66.684 -7.309 4.663 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.409 -7.545 4.302 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.417 -8.804 5.010 1.00 0.91 H new ATOM 623 N LYS A 43 67.787 -9.415 2.168 1.00 0.77 N ATOM 624 CA LYS A 43 67.976 -10.283 0.970 1.00 0.86 C ATOM 625 C LYS A 43 68.468 -9.451 -0.218 1.00 0.79 C ATOM 626 O LYS A 43 69.093 -9.960 -1.126 1.00 0.99 O ATOM 627 CB LYS A 43 66.592 -10.865 0.684 1.00 0.95 C ATOM 628 CG LYS A 43 66.712 -12.371 0.442 1.00 1.34 C ATOM 629 CD LYS A 43 65.319 -13.005 0.473 1.00 2.13 C ATOM 630 CE LYS A 43 64.866 -13.173 1.924 1.00 2.65 C ATOM 631 NZ LYS A 43 63.405 -12.889 1.906 1.00 2.98 N ATOM 0 H LYS A 43 66.826 -9.124 2.345 1.00 0.77 H new ATOM 0 HA LYS A 43 68.720 -11.062 1.137 1.00 0.86 H new ATOM 0 HB2 LYS A 43 65.924 -10.673 1.524 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.155 -10.379 -0.188 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.187 -12.559 -0.521 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.346 -12.823 1.204 1.00 1.34 H new ATOM 0 HD2 LYS A 43 64.611 -12.379 -0.070 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.337 -13.973 -0.028 1.00 2.13 H new ATOM 0 HE2 LYS A 43 65.068 -14.181 2.286 1.00 2.65 H new ATOM 0 HE3 LYS A 43 65.394 -12.485 2.585 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 63.021 -12.984 2.868 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 63.244 -11.920 1.563 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 62.928 -13.564 1.274 1.00 2.98 H new ATOM 645 N VAL A 44 68.192 -8.175 -0.218 1.00 0.72 N ATOM 646 CA VAL A 44 68.646 -7.314 -1.349 1.00 0.93 C ATOM 647 C VAL A 44 70.105 -6.896 -1.148 1.00 0.89 C ATOM 648 O VAL A 44 70.784 -6.509 -2.078 1.00 1.06 O ATOM 649 CB VAL A 44 67.731 -6.090 -1.310 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.979 -5.227 -2.547 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.271 -6.549 -1.293 1.00 1.80 C ATOM 0 H VAL A 44 67.673 -7.692 0.515 1.00 0.72 H new ATOM 0 HA VAL A 44 68.593 -7.834 -2.306 1.00 0.93 H new ATOM 0 HB VAL A 44 67.941 -5.507 -0.414 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.326 -4.354 -2.519 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.019 -4.902 -2.561 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.768 -5.809 -3.445 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.616 -5.678 -1.265 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.062 -7.131 -2.190 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.093 -7.165 -0.411 1.00 1.80 H new ATOM 661 N MET A 45 70.592 -6.969 0.060 1.00 0.86 N ATOM 662 CA MET A 45 72.006 -6.574 0.319 1.00 1.06 C ATOM 663 C MET A 45 72.961 -7.680 -0.140 1.00 1.08 C ATOM 664 O MET A 45 73.932 -7.430 -0.825 1.00 1.14 O ATOM 665 CB MET A 45 72.094 -6.390 1.833 1.00 1.34 C ATOM 666 CG MET A 45 71.911 -4.912 2.180 1.00 1.88 C ATOM 667 SD MET A 45 73.358 -4.325 3.097 1.00 2.45 S ATOM 668 CE MET A 45 73.654 -2.834 2.117 1.00 3.35 C ATOM 0 H MET A 45 70.072 -7.285 0.879 1.00 0.86 H new ATOM 0 HA MET A 45 72.285 -5.669 -0.221 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.328 -6.988 2.328 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.059 -6.743 2.197 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.782 -4.327 1.270 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.009 -4.776 2.777 1.00 1.88 H new ATOM 0 HE1 MET A 45 74.580 -2.361 2.445 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.736 -3.101 1.064 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.825 -2.140 2.251 1.00 3.35 H new ATOM 678 N ARG A 46 72.696 -8.899 0.240 1.00 1.20 N ATOM 679 CA ARG A 46 73.594 -10.018 -0.168 1.00 1.46 C ATOM 680 C ARG A 46 73.498 -10.258 -1.679 1.00 1.52 C ATOM 681 O ARG A 46 74.411 -10.775 -2.290 1.00 1.73 O ATOM 682 CB ARG A 46 73.085 -11.235 0.606 1.00 1.74 C ATOM 683 CG ARG A 46 74.253 -11.895 1.343 1.00 1.93 C ATOM 684 CD ARG A 46 73.714 -12.839 2.422 1.00 2.48 C ATOM 685 NE ARG A 46 73.932 -14.208 1.878 1.00 2.64 N ATOM 686 CZ ARG A 46 74.790 -15.008 2.451 1.00 3.08 C ATOM 687 NH1 ARG A 46 74.772 -15.167 3.746 1.00 3.41 N ATOM 688 NH2 ARG A 46 75.667 -15.650 1.727 1.00 3.64 N ATOM 0 H ARG A 46 71.898 -9.170 0.815 1.00 1.20 H new ATOM 0 HA ARG A 46 74.641 -9.806 0.048 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.317 -10.932 1.317 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.623 -11.947 -0.078 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.874 -12.449 0.639 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.887 -11.133 1.796 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.240 -12.701 3.366 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.657 -12.655 2.616 1.00 2.48 H new ATOM 0 HE ARG A 46 73.411 -14.520 1.058 1.00 2.64 H new ATOM 0 HH11 ARG A 46 74.087 -14.666 4.312 1.00 3.41 H new ATOM 0 HH12 ARG A 46 75.443 -15.792 4.192 1.00 3.41 H new ATOM 0 HH21 ARG A 46 75.681 -15.526 0.715 1.00 3.64 H new ATOM 0 HH22 ARG A 46 76.338 -16.275 2.174 1.00 3.64 H new ATOM 702 N MET A 47 72.402 -9.890 -2.287 1.00 1.46 N ATOM 703 CA MET A 47 72.263 -10.105 -3.759 1.00 1.73 C ATOM 704 C MET A 47 73.007 -9.006 -4.529 1.00 1.75 C ATOM 705 O MET A 47 73.522 -9.230 -5.606 1.00 2.01 O ATOM 706 CB MET A 47 70.753 -10.056 -4.034 1.00 1.70 C ATOM 707 CG MET A 47 70.291 -8.608 -4.224 1.00 1.96 C ATOM 708 SD MET A 47 70.529 -8.122 -5.952 1.00 1.94 S ATOM 709 CE MET A 47 68.875 -8.557 -6.546 1.00 1.52 C ATOM 0 H MET A 47 71.601 -9.452 -1.832 1.00 1.46 H new ATOM 0 HA MET A 47 72.694 -11.053 -4.082 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.520 -10.638 -4.925 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.211 -10.511 -3.205 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.241 -8.511 -3.949 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.855 -7.946 -3.567 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.877 -8.590 -7.635 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.593 -9.534 -6.153 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.158 -7.809 -6.207 1.00 1.52 H new ATOM 719 N LEU A 48 73.068 -7.821 -3.983 1.00 1.60 N ATOM 720 CA LEU A 48 73.777 -6.713 -4.684 1.00 1.69 C ATOM 721 C LEU A 48 75.287 -6.826 -4.456 1.00 1.68 C ATOM 722 O LEU A 48 76.082 -6.439 -5.290 1.00 1.99 O ATOM 723 CB LEU A 48 73.236 -5.431 -4.049 1.00 1.73 C ATOM 724 CG LEU A 48 71.763 -5.258 -4.424 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.158 -4.119 -3.603 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.655 -4.925 -5.914 1.00 2.15 C ATOM 0 H LEU A 48 72.658 -7.573 -3.083 1.00 1.60 H new ATOM 0 HA LEU A 48 73.614 -6.735 -5.761 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.343 -5.476 -2.965 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.813 -4.572 -4.391 1.00 1.73 H new ATOM 0 HG LEU A 48 71.223 -6.182 -4.216 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.108 -3.996 -3.870 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.237 -4.354 -2.542 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.696 -3.194 -3.811 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.606 -4.801 -6.184 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.194 -4.001 -6.120 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.087 -5.736 -6.500 1.00 2.15 H new ATOM 738 N GLY A 49 75.688 -7.352 -3.332 1.00 1.63 N ATOM 739 CA GLY A 49 77.146 -7.489 -3.049 1.00 1.87 C ATOM 740 C GLY A 49 77.444 -6.957 -1.646 1.00 1.54 C ATOM 741 O GLY A 49 78.295 -6.111 -1.460 1.00 1.53 O ATOM 0 H GLY A 49 75.069 -7.693 -2.596 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.446 -8.534 -3.125 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.725 -6.937 -3.790 1.00 1.87 H new ATOM 745 N GLN A 50 76.747 -7.446 -0.656 1.00 1.37 N ATOM 746 CA GLN A 50 76.990 -6.967 0.735 1.00 1.17 C ATOM 747 C GLN A 50 77.053 -8.152 1.702 1.00 1.24 C ATOM 748 O GLN A 50 76.266 -9.075 1.621 1.00 1.75 O ATOM 749 CB GLN A 50 75.790 -6.075 1.060 1.00 1.29 C ATOM 750 CG GLN A 50 75.808 -4.843 0.153 1.00 1.28 C ATOM 751 CD GLN A 50 76.464 -3.674 0.890 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.229 -3.875 1.812 1.00 1.89 O ATOM 753 NE2 GLN A 50 76.196 -2.452 0.518 1.00 1.85 N ATOM 0 H GLN A 50 76.021 -8.156 -0.750 1.00 1.37 H new ATOM 0 HA GLN A 50 77.935 -6.432 0.828 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.862 -6.630 0.919 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.823 -5.770 2.106 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.356 -5.062 -0.764 1.00 1.28 H new ATOM 0 HG3 GLN A 50 74.792 -4.578 -0.138 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.554 -2.284 -0.256 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.629 -1.665 1.002 1.00 1.85 H new ATOM 762 N ASN A 51 77.982 -8.133 2.619 1.00 1.18 N ATOM 763 CA ASN A 51 78.091 -9.259 3.592 1.00 1.29 C ATOM 764 C ASN A 51 78.065 -8.725 5.028 1.00 1.07 C ATOM 765 O ASN A 51 78.875 -9.111 5.847 1.00 1.45 O ATOM 766 CB ASN A 51 79.438 -9.915 3.289 1.00 1.96 C ATOM 767 CG ASN A 51 79.472 -11.316 3.901 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.532 -11.733 4.547 1.00 3.07 O ATOM 769 ND2 ASN A 51 80.524 -12.067 3.722 1.00 3.29 N ATOM 0 H ASN A 51 78.669 -7.388 2.737 1.00 1.18 H new ATOM 0 HA ASN A 51 77.264 -9.963 3.501 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.592 -9.973 2.212 1.00 1.96 H new ATOM 0 HB3 ASN A 51 80.249 -9.310 3.694 1.00 1.96 H new ATOM 0 HD21 ASN A 51 80.556 -13.004 4.125 1.00 3.29 H new ATOM 0 HD22 ASN A 51 81.314 -11.717 3.180 1.00 3.29 H new ATOM 776 N PRO A 52 77.129 -7.851 5.284 1.00 1.47 N ATOM 777 CA PRO A 52 76.991 -7.255 6.635 1.00 2.11 C ATOM 778 C PRO A 52 76.424 -8.283 7.618 1.00 1.79 C ATOM 779 O PRO A 52 76.465 -9.474 7.379 1.00 2.07 O ATOM 780 CB PRO A 52 76.007 -6.108 6.421 1.00 2.97 C ATOM 781 CG PRO A 52 75.219 -6.494 5.211 1.00 2.97 C ATOM 782 CD PRO A 52 76.122 -7.339 4.349 1.00 2.03 C ATOM 0 HA PRO A 52 77.940 -6.924 7.056 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.360 -5.977 7.288 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.529 -5.164 6.267 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.325 -7.050 5.494 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.886 -5.609 4.669 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.573 -8.150 3.871 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.579 -6.751 3.553 1.00 2.03 H new ATOM 790 N THR A 53 75.893 -7.831 8.721 1.00 1.42 N ATOM 791 CA THR A 53 75.321 -8.782 9.718 1.00 1.16 C ATOM 792 C THR A 53 73.864 -8.419 10.015 1.00 0.98 C ATOM 793 O THR A 53 73.385 -7.383 9.598 1.00 0.92 O ATOM 794 CB THR A 53 76.184 -8.611 10.970 1.00 1.19 C ATOM 795 OG1 THR A 53 76.691 -7.284 11.016 1.00 1.40 O ATOM 796 CG2 THR A 53 77.349 -9.601 10.928 1.00 1.36 C ATOM 0 H THR A 53 75.830 -6.845 8.975 1.00 1.42 H new ATOM 0 HA THR A 53 75.326 -9.811 9.359 1.00 1.16 H new ATOM 0 HB THR A 53 75.579 -8.801 11.857 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.243 -7.172 11.818 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.963 -9.478 11.820 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.960 -10.619 10.892 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.955 -9.412 10.042 1.00 1.36 H new ATOM 804 N PRO A 54 73.206 -9.292 10.728 1.00 0.99 N ATOM 805 CA PRO A 54 71.785 -9.066 11.089 1.00 1.04 C ATOM 806 C PRO A 54 71.667 -7.947 12.128 1.00 0.93 C ATOM 807 O PRO A 54 70.672 -7.255 12.199 1.00 0.94 O ATOM 808 CB PRO A 54 71.347 -10.407 11.676 1.00 1.19 C ATOM 809 CG PRO A 54 72.610 -11.045 12.160 1.00 1.18 C ATOM 810 CD PRO A 54 73.718 -10.557 11.264 1.00 1.10 C ATOM 0 HA PRO A 54 71.171 -8.757 10.243 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.637 -10.269 12.491 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.854 -11.025 10.925 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.806 -10.775 13.198 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.533 -12.132 12.122 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.645 -10.410 11.818 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.932 -11.271 10.468 1.00 1.10 H new ATOM 818 N GLU A 55 72.679 -7.762 12.932 1.00 0.98 N ATOM 819 CA GLU A 55 72.625 -6.686 13.962 1.00 1.08 C ATOM 820 C GLU A 55 72.869 -5.321 13.312 1.00 0.97 C ATOM 821 O GLU A 55 72.156 -4.368 13.561 1.00 1.01 O ATOM 822 CB GLU A 55 73.747 -7.021 14.946 1.00 1.28 C ATOM 823 CG GLU A 55 73.262 -6.776 16.376 1.00 2.15 C ATOM 824 CD GLU A 55 72.643 -8.060 16.932 1.00 2.57 C ATOM 825 OE1 GLU A 55 73.396 -8.938 17.320 1.00 3.14 O ATOM 826 OE2 GLU A 55 71.426 -8.143 16.960 1.00 2.81 O ATOM 0 H GLU A 55 73.540 -8.309 12.920 1.00 0.98 H new ATOM 0 HA GLU A 55 71.654 -6.634 14.455 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.051 -8.061 14.827 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.623 -6.407 14.738 1.00 1.28 H new ATOM 0 HG2 GLU A 55 74.094 -6.459 17.004 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.528 -5.970 16.389 1.00 2.15 H new ATOM 833 N GLU A 56 73.868 -5.219 12.479 1.00 0.92 N ATOM 834 CA GLU A 56 74.152 -3.916 11.811 1.00 0.94 C ATOM 835 C GLU A 56 72.996 -3.534 10.886 1.00 0.84 C ATOM 836 O GLU A 56 72.795 -2.379 10.571 1.00 0.94 O ATOM 837 CB GLU A 56 75.430 -4.154 11.004 1.00 1.06 C ATOM 838 CG GLU A 56 75.813 -2.872 10.262 1.00 1.60 C ATOM 839 CD GLU A 56 77.257 -2.496 10.599 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.611 -2.571 11.765 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.984 -2.141 9.688 1.00 2.50 O ATOM 0 H GLU A 56 74.500 -5.981 12.232 1.00 0.92 H new ATOM 0 HA GLU A 56 74.268 -3.102 12.526 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.240 -4.458 11.667 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.278 -4.966 10.293 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.706 -3.016 9.187 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.140 -2.062 10.544 1.00 1.60 H new ATOM 848 N LEU A 57 72.231 -4.498 10.448 1.00 0.73 N ATOM 849 CA LEU A 57 71.086 -4.190 9.545 1.00 0.78 C ATOM 850 C LEU A 57 70.085 -3.274 10.255 1.00 0.80 C ATOM 851 O LEU A 57 69.965 -2.106 9.941 1.00 0.89 O ATOM 852 CB LEU A 57 70.446 -5.545 9.239 1.00 0.85 C ATOM 853 CG LEU A 57 70.467 -5.792 7.729 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.433 -7.297 7.459 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.243 -5.134 7.088 1.00 1.10 C ATOM 0 H LEU A 57 72.350 -5.485 10.677 1.00 0.73 H new ATOM 0 HA LEU A 57 71.403 -3.674 8.638 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.986 -6.339 9.755 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.420 -5.566 9.607 1.00 0.85 H new ATOM 0 HG LEU A 57 71.375 -5.365 7.304 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.448 -7.474 6.384 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.303 -7.768 7.917 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.524 -7.722 7.884 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.257 -5.309 6.012 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.335 -5.562 7.514 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.264 -4.061 7.281 1.00 1.10 H new ATOM 867 N GLN A 58 69.366 -3.796 11.211 1.00 0.81 N ATOM 868 CA GLN A 58 68.375 -2.957 11.942 1.00 0.95 C ATOM 869 C GLN A 58 69.013 -1.633 12.373 1.00 0.99 C ATOM 870 O GLN A 58 68.436 -0.575 12.219 1.00 1.13 O ATOM 871 CB GLN A 58 67.982 -3.787 13.165 1.00 1.09 C ATOM 872 CG GLN A 58 66.527 -3.495 13.538 1.00 1.25 C ATOM 873 CD GLN A 58 66.303 -1.982 13.579 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.929 -1.361 12.495 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 66.471 -1.360 14.609 1.00 1.74 N flip ATOM 0 H GLN A 58 69.422 -4.767 11.517 1.00 0.81 H new ATOM 0 HA GLN A 58 67.513 -2.705 11.325 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.107 -4.849 12.952 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.637 -3.551 14.003 1.00 1.09 H new ATOM 0 HG2 GLN A 58 65.856 -3.953 12.812 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.294 -3.934 14.508 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.764 -1.846 15.457 1.00 1.74 H new ATOM 0 HE22 GLN A 58 66.319 -0.351 14.626 1.00 1.74 H new ATOM 884 N GLU A 59 70.202 -1.682 12.912 1.00 0.97 N ATOM 885 CA GLU A 59 70.874 -0.425 13.352 1.00 1.14 C ATOM 886 C GLU A 59 71.203 0.455 12.143 1.00 1.11 C ATOM 887 O GLU A 59 71.352 1.655 12.260 1.00 1.18 O ATOM 888 CB GLU A 59 72.157 -0.884 14.045 1.00 1.23 C ATOM 889 CG GLU A 59 72.154 -0.407 15.499 1.00 1.60 C ATOM 890 CD GLU A 59 72.877 0.937 15.598 1.00 2.19 C ATOM 891 OE1 GLU A 59 73.828 1.132 14.858 1.00 2.77 O ATOM 892 OE2 GLU A 59 72.469 1.749 16.412 1.00 2.75 O ATOM 0 H GLU A 59 70.736 -2.537 13.066 1.00 0.97 H new ATOM 0 HA GLU A 59 70.243 0.169 14.012 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.233 -1.971 14.008 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.027 -0.486 13.523 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.130 -0.308 15.858 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.645 -1.143 16.135 1.00 1.60 H new ATOM 899 N MET A 60 71.319 -0.132 10.983 1.00 1.11 N ATOM 900 CA MET A 60 71.641 0.674 9.770 1.00 1.18 C ATOM 901 C MET A 60 70.450 1.555 9.386 1.00 1.13 C ATOM 902 O MET A 60 70.562 2.761 9.292 1.00 1.25 O ATOM 903 CB MET A 60 71.926 -0.354 8.675 1.00 1.22 C ATOM 904 CG MET A 60 73.393 -0.256 8.255 1.00 1.62 C ATOM 905 SD MET A 60 73.642 1.249 7.282 1.00 1.82 S ATOM 906 CE MET A 60 75.033 0.651 6.292 1.00 2.02 C ATOM 0 H MET A 60 71.205 -1.133 10.822 1.00 1.11 H new ATOM 0 HA MET A 60 72.487 1.342 9.931 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.707 -1.358 9.038 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.278 -0.176 7.817 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.035 -0.243 9.136 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.674 -1.131 7.669 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.513 1.493 5.793 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.754 0.154 6.941 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.671 -0.055 5.545 1.00 2.02 H new ATOM 916 N ILE A 61 69.308 0.963 9.163 1.00 1.04 N ATOM 917 CA ILE A 61 68.111 1.772 8.788 1.00 1.11 C ATOM 918 C ILE A 61 67.706 2.679 9.954 1.00 1.23 C ATOM 919 O ILE A 61 67.477 3.860 9.785 1.00 1.40 O ATOM 920 CB ILE A 61 67.017 0.742 8.485 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.185 0.233 7.051 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.635 1.386 8.631 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.470 -1.269 7.074 1.00 1.14 C ATOM 0 H ILE A 61 69.151 -0.043 9.224 1.00 1.04 H new ATOM 0 HA ILE A 61 68.296 2.424 7.934 1.00 1.11 H new ATOM 0 HB ILE A 61 67.103 -0.087 9.187 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.282 0.434 6.474 1.00 1.17 H new ATOM 0 HG13 ILE A 61 68.002 0.762 6.559 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.864 0.647 8.414 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.510 1.752 9.650 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.546 2.219 7.933 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.590 -1.632 6.053 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.385 -1.457 7.636 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.639 -1.790 7.549 1.00 1.14 H new ATOM 935 N ASP A 62 67.613 2.134 11.136 1.00 1.23 N ATOM 936 CA ASP A 62 67.219 2.960 12.315 1.00 1.43 C ATOM 937 C ASP A 62 67.929 4.317 12.281 1.00 1.48 C ATOM 938 O ASP A 62 67.445 5.293 12.821 1.00 1.67 O ATOM 939 CB ASP A 62 67.671 2.149 13.530 1.00 1.51 C ATOM 940 CG ASP A 62 67.448 2.970 14.801 1.00 1.54 C ATOM 941 OD1 ASP A 62 66.304 3.096 15.208 1.00 2.13 O ATOM 942 OD2 ASP A 62 68.424 3.459 15.346 1.00 1.79 O ATOM 0 H ASP A 62 67.793 1.150 11.338 1.00 1.23 H new ATOM 0 HA ASP A 62 66.149 3.167 12.333 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.113 1.214 13.585 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.724 1.886 13.434 1.00 1.51 H new ATOM 947 N GLU A 63 69.073 4.388 11.658 1.00 1.41 N ATOM 948 CA GLU A 63 69.809 5.685 11.599 1.00 1.52 C ATOM 949 C GLU A 63 69.372 6.494 10.375 1.00 1.47 C ATOM 950 O GLU A 63 69.014 7.651 10.479 1.00 1.80 O ATOM 951 CB GLU A 63 71.284 5.299 11.485 1.00 1.55 C ATOM 952 CG GLU A 63 71.868 5.092 12.884 1.00 2.11 C ATOM 953 CD GLU A 63 73.363 4.787 12.776 1.00 2.26 C ATOM 954 OE1 GLU A 63 74.087 5.638 12.285 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.759 3.709 13.185 1.00 2.93 O ATOM 0 H GLU A 63 69.530 3.607 11.188 1.00 1.41 H new ATOM 0 HA GLU A 63 69.614 6.306 12.473 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.388 4.387 10.898 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.836 6.080 10.961 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.711 5.984 13.490 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.355 4.272 13.386 1.00 2.11 H new ATOM 962 N VAL A 64 69.401 5.897 9.215 1.00 1.33 N ATOM 963 CA VAL A 64 68.992 6.637 7.985 1.00 1.29 C ATOM 964 C VAL A 64 67.464 6.704 7.888 1.00 1.21 C ATOM 965 O VAL A 64 66.916 7.263 6.958 1.00 1.50 O ATOM 966 CB VAL A 64 69.576 5.830 6.822 1.00 1.40 C ATOM 967 CG1 VAL A 64 71.009 5.410 7.155 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.723 4.580 6.585 1.00 1.31 C ATOM 0 H VAL A 64 69.690 4.930 9.065 1.00 1.33 H new ATOM 0 HA VAL A 64 69.351 7.666 7.984 1.00 1.29 H new ATOM 0 HB VAL A 64 69.578 6.446 5.923 1.00 1.40 H new ATOM 0 HG11 VAL A 64 71.422 4.836 6.326 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.619 6.298 7.321 1.00 1.69 H new ATOM 0 HG13 VAL A 64 71.008 4.797 8.056 1.00 1.69 H new ATOM 0 HG21 VAL A 64 69.140 4.007 5.757 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.719 3.966 7.486 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.702 4.876 6.343 1.00 1.31 H new ATOM 978 N ASP A 65 66.774 6.135 8.838 1.00 1.27 N ATOM 979 CA ASP A 65 65.283 6.164 8.796 1.00 1.38 C ATOM 980 C ASP A 65 64.773 7.596 8.970 1.00 2.07 C ATOM 981 O ASP A 65 65.261 8.345 9.792 1.00 2.61 O ATOM 982 CB ASP A 65 64.835 5.291 9.969 1.00 1.38 C ATOM 983 CG ASP A 65 63.813 4.264 9.480 1.00 1.66 C ATOM 984 OD1 ASP A 65 63.413 4.355 8.331 1.00 1.47 O ATOM 985 OD2 ASP A 65 63.447 3.402 10.264 1.00 2.59 O ATOM 0 H ASP A 65 67.177 5.652 9.641 1.00 1.27 H new ATOM 0 HA ASP A 65 64.892 5.802 7.845 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.694 4.784 10.408 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.397 5.911 10.751 1.00 1.38 H new ATOM 990 N GLU A 66 63.790 7.980 8.203 1.00 2.65 N ATOM 991 CA GLU A 66 63.244 9.362 8.327 1.00 3.74 C ATOM 992 C GLU A 66 61.969 9.345 9.175 1.00 4.00 C ATOM 993 O GLU A 66 61.484 10.373 9.605 1.00 4.93 O ATOM 994 CB GLU A 66 62.931 9.795 6.895 1.00 4.58 C ATOM 995 CG GLU A 66 64.126 9.478 5.992 1.00 5.25 C ATOM 996 CD GLU A 66 63.739 9.715 4.531 1.00 6.17 C ATOM 997 OE1 GLU A 66 62.709 10.329 4.304 1.00 6.67 O ATOM 998 OE2 GLU A 66 64.479 9.279 3.665 1.00 6.61 O ATOM 0 H GLU A 66 63.341 7.397 7.496 1.00 2.65 H new ATOM 0 HA GLU A 66 63.943 10.043 8.812 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.042 9.278 6.534 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.713 10.863 6.866 1.00 4.58 H new ATOM 0 HG2 GLU A 66 64.975 10.106 6.261 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.438 8.443 6.133 1.00 5.25 H new ATOM 1005 N ASP A 67 61.424 8.184 9.417 1.00 3.32 N ATOM 1006 CA ASP A 67 60.181 8.098 10.237 1.00 3.69 C ATOM 1007 C ASP A 67 60.317 6.994 11.289 1.00 3.25 C ATOM 1008 O ASP A 67 59.405 6.727 12.046 1.00 3.49 O ATOM 1009 CB ASP A 67 59.073 7.757 9.241 1.00 3.68 C ATOM 1010 CG ASP A 67 59.258 6.322 8.743 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.212 6.084 8.022 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.441 5.485 9.092 1.00 3.83 O ATOM 0 H ASP A 67 61.785 7.291 9.082 1.00 3.32 H new ATOM 0 HA ASP A 67 59.975 9.024 10.774 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.097 7.866 9.715 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.098 8.451 8.401 1.00 3.68 H new ATOM 1017 N GLY A 68 61.451 6.346 11.342 1.00 2.98 N ATOM 1018 CA GLY A 68 61.643 5.261 12.344 1.00 3.17 C ATOM 1019 C GLY A 68 60.597 4.166 12.122 1.00 2.42 C ATOM 1020 O GLY A 68 59.643 4.048 12.864 1.00 3.05 O ATOM 0 H GLY A 68 62.251 6.522 10.734 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.646 4.843 12.255 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.554 5.664 13.353 1.00 3.17 H new ATOM 1024 N SER A 69 60.767 3.366 11.105 1.00 1.46 N ATOM 1025 CA SER A 69 59.780 2.280 10.837 1.00 1.52 C ATOM 1026 C SER A 69 60.503 0.984 10.455 1.00 1.64 C ATOM 1027 O SER A 69 59.883 -0.009 10.130 1.00 2.49 O ATOM 1028 CB SER A 69 58.940 2.790 9.667 1.00 2.44 C ATOM 1029 OG SER A 69 59.780 3.483 8.753 1.00 2.71 O ATOM 0 H SER A 69 61.546 3.417 10.448 1.00 1.46 H new ATOM 0 HA SER A 69 59.169 2.054 11.711 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.448 1.956 9.166 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.154 3.452 10.030 1.00 2.44 H new ATOM 0 HG SER A 69 59.811 2.996 7.903 1.00 2.71 H new ATOM 1035 N GLY A 70 61.809 0.986 10.488 1.00 1.28 N ATOM 1036 CA GLY A 70 62.564 -0.246 10.125 1.00 1.43 C ATOM 1037 C GLY A 70 62.139 -0.712 8.731 1.00 1.29 C ATOM 1038 O GLY A 70 62.351 -1.846 8.354 1.00 1.59 O ATOM 0 H GLY A 70 62.384 1.787 10.750 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.636 -0.047 10.143 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.373 -1.031 10.857 1.00 1.43 H new ATOM 1042 N THR A 71 61.538 0.155 7.963 1.00 0.89 N ATOM 1043 CA THR A 71 61.101 -0.243 6.595 1.00 0.79 C ATOM 1044 C THR A 71 61.801 0.620 5.543 1.00 0.76 C ATOM 1045 O THR A 71 62.241 1.718 5.819 1.00 0.83 O ATOM 1046 CB THR A 71 59.591 0.001 6.572 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.338 1.397 6.645 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.938 -0.701 7.762 1.00 1.08 C ATOM 0 H THR A 71 61.331 1.119 8.223 1.00 0.89 H new ATOM 0 HA THR A 71 61.349 -1.280 6.369 1.00 0.79 H new ATOM 0 HB THR A 71 59.173 -0.397 5.647 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.371 1.555 6.629 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.862 -0.525 7.743 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.132 -1.772 7.704 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.353 -0.307 8.690 1.00 1.08 H new ATOM 1056 N VAL A 72 61.905 0.131 4.338 1.00 0.73 N ATOM 1057 CA VAL A 72 62.576 0.923 3.268 1.00 0.77 C ATOM 1058 C VAL A 72 61.846 0.733 1.935 1.00 0.80 C ATOM 1059 O VAL A 72 61.721 -0.367 1.436 1.00 1.00 O ATOM 1060 CB VAL A 72 63.994 0.358 3.190 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.661 0.826 1.895 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.805 0.857 4.388 1.00 1.13 C ATOM 0 H VAL A 72 61.555 -0.782 4.048 1.00 0.73 H new ATOM 0 HA VAL A 72 62.575 1.992 3.480 1.00 0.77 H new ATOM 0 HB VAL A 72 63.953 -0.731 3.204 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.672 0.423 1.840 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.083 0.474 1.040 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.704 1.915 1.881 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.817 0.455 4.335 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.845 1.946 4.372 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.331 0.525 5.312 1.00 1.13 H new ATOM 1072 N ASP A 73 61.364 1.798 1.356 1.00 0.77 N ATOM 1073 CA ASP A 73 60.644 1.676 0.057 1.00 0.83 C ATOM 1074 C ASP A 73 61.574 2.050 -1.099 1.00 0.87 C ATOM 1075 O ASP A 73 62.778 2.108 -0.945 1.00 0.87 O ATOM 1076 CB ASP A 73 59.481 2.665 0.152 1.00 0.85 C ATOM 1077 CG ASP A 73 60.011 4.043 0.549 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.220 4.191 0.623 1.00 2.47 O ATOM 1079 OD2 ASP A 73 59.200 4.926 0.771 1.00 2.57 O ATOM 0 H ASP A 73 61.437 2.746 1.725 1.00 0.77 H new ATOM 0 HA ASP A 73 60.298 0.659 -0.129 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.963 2.725 -0.805 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.754 2.318 0.887 1.00 0.85 H new ATOM 1084 N PHE A 74 61.027 2.303 -2.255 1.00 0.94 N ATOM 1085 CA PHE A 74 61.881 2.673 -3.419 1.00 0.98 C ATOM 1086 C PHE A 74 62.730 3.902 -3.085 1.00 0.86 C ATOM 1087 O PHE A 74 63.702 4.196 -3.749 1.00 0.83 O ATOM 1088 CB PHE A 74 60.896 2.991 -4.544 1.00 1.12 C ATOM 1089 CG PHE A 74 61.629 3.674 -5.674 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.889 3.212 -6.071 1.00 2.22 C ATOM 1091 CD2 PHE A 74 61.049 4.770 -6.325 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.570 3.845 -7.117 1.00 3.01 C ATOM 1093 CE2 PHE A 74 61.730 5.403 -7.371 1.00 2.84 C ATOM 1094 CZ PHE A 74 62.990 4.941 -7.768 1.00 3.18 C ATOM 0 H PHE A 74 60.025 2.270 -2.445 1.00 0.94 H new ATOM 0 HA PHE A 74 62.573 1.877 -3.694 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.427 2.074 -4.902 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.098 3.634 -4.173 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.336 2.366 -5.570 1.00 2.22 H new ATOM 0 HD2 PHE A 74 60.076 5.127 -6.020 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.543 3.488 -7.422 1.00 3.01 H new ATOM 0 HE2 PHE A 74 61.283 6.249 -7.872 1.00 2.84 H new ATOM 0 HZ PHE A 74 63.515 5.429 -8.576 1.00 3.18 H new ATOM 1104 N ASP A 75 62.367 4.625 -2.060 1.00 0.83 N ATOM 1105 CA ASP A 75 63.152 5.837 -1.686 1.00 0.76 C ATOM 1106 C ASP A 75 64.255 5.472 -0.687 1.00 0.69 C ATOM 1107 O ASP A 75 65.429 5.531 -0.996 1.00 0.65 O ATOM 1108 CB ASP A 75 62.138 6.784 -1.043 1.00 0.81 C ATOM 1109 CG ASP A 75 62.829 8.095 -0.667 1.00 0.99 C ATOM 1110 OD1 ASP A 75 63.734 8.051 0.151 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.444 9.121 -1.202 1.00 1.57 O ATOM 0 H ASP A 75 61.561 4.429 -1.466 1.00 0.83 H new ATOM 0 HA ASP A 75 63.644 6.289 -2.547 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.318 6.978 -1.734 1.00 0.81 H new ATOM 0 HB3 ASP A 75 61.705 6.322 -0.156 1.00 0.81 H new ATOM 1116 N GLU A 76 63.887 5.098 0.508 1.00 0.77 N ATOM 1117 CA GLU A 76 64.916 4.734 1.524 1.00 0.78 C ATOM 1118 C GLU A 76 65.956 3.792 0.913 1.00 0.70 C ATOM 1119 O GLU A 76 67.106 3.785 1.305 1.00 0.70 O ATOM 1120 CB GLU A 76 64.142 4.029 2.639 1.00 0.95 C ATOM 1121 CG GLU A 76 62.988 4.919 3.103 1.00 1.51 C ATOM 1122 CD GLU A 76 62.685 4.637 4.576 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.528 4.048 5.231 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.615 5.015 5.024 1.00 1.72 O ATOM 0 H GLU A 76 62.920 5.029 0.825 1.00 0.77 H new ATOM 0 HA GLU A 76 65.457 5.606 1.892 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.757 3.074 2.281 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.806 3.812 3.475 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.248 5.969 2.969 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.103 4.730 2.496 1.00 1.51 H new ATOM 1131 N PHE A 77 65.565 2.995 -0.045 1.00 0.72 N ATOM 1132 CA PHE A 77 66.540 2.059 -0.676 1.00 0.73 C ATOM 1133 C PHE A 77 67.687 2.848 -1.308 1.00 0.67 C ATOM 1134 O PHE A 77 68.819 2.772 -0.872 1.00 0.69 O ATOM 1135 CB PHE A 77 65.745 1.313 -1.747 1.00 0.84 C ATOM 1136 CG PHE A 77 66.516 0.087 -2.178 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.010 -0.804 -1.216 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.739 -0.160 -3.538 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.725 -1.939 -1.614 1.00 1.48 C ATOM 1140 CE2 PHE A 77 67.454 -1.295 -3.936 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.947 -2.185 -2.975 1.00 1.46 C ATOM 0 H PHE A 77 64.616 2.951 -0.417 1.00 0.72 H new ATOM 0 HA PHE A 77 66.983 1.374 0.047 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.769 1.024 -1.357 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.566 1.964 -2.603 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.839 -0.615 -0.167 1.00 1.32 H new ATOM 0 HD2 PHE A 77 66.359 0.526 -4.280 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.106 -2.625 -0.872 1.00 1.48 H new ATOM 0 HE2 PHE A 77 67.626 -1.484 -4.985 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.498 -3.061 -3.283 1.00 1.46 H new ATOM 1151 N LEU A 78 67.406 3.611 -2.331 1.00 0.66 N ATOM 1152 CA LEU A 78 68.486 4.407 -2.981 1.00 0.68 C ATOM 1153 C LEU A 78 69.239 5.217 -1.924 1.00 0.62 C ATOM 1154 O LEU A 78 70.364 5.628 -2.126 1.00 0.64 O ATOM 1155 CB LEU A 78 67.767 5.329 -3.970 1.00 0.77 C ATOM 1156 CG LEU A 78 66.886 4.496 -4.910 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.515 5.332 -6.139 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.646 3.246 -5.365 1.00 1.41 C ATOM 0 H LEU A 78 66.479 3.717 -2.743 1.00 0.66 H new ATOM 0 HA LEU A 78 69.222 3.781 -3.485 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.156 6.052 -3.429 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.496 5.897 -4.548 1.00 0.77 H new ATOM 0 HG LEU A 78 65.982 4.198 -4.379 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.889 4.740 -6.806 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.969 6.221 -5.823 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.423 5.631 -6.663 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.015 2.659 -6.032 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.553 3.543 -5.892 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.912 2.645 -4.495 1.00 1.41 H new ATOM 1170 N VAL A 79 68.628 5.437 -0.791 1.00 0.59 N ATOM 1171 CA VAL A 79 69.310 6.205 0.288 1.00 0.61 C ATOM 1172 C VAL A 79 70.236 5.275 1.074 1.00 0.63 C ATOM 1173 O VAL A 79 71.209 5.700 1.666 1.00 0.68 O ATOM 1174 CB VAL A 79 68.181 6.717 1.183 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.775 7.428 2.400 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.313 7.698 0.392 1.00 0.70 C ATOM 0 H VAL A 79 67.686 5.118 -0.567 1.00 0.59 H new ATOM 0 HA VAL A 79 69.921 7.020 -0.100 1.00 0.61 H new ATOM 0 HB VAL A 79 67.572 5.877 1.517 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.969 7.793 3.037 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.395 6.730 2.962 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.384 8.269 2.069 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.507 8.065 1.028 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.924 8.537 0.059 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.889 7.191 -0.475 1.00 0.70 H new ATOM 1186 N MET A 80 69.938 4.004 1.078 1.00 0.65 N ATOM 1187 CA MET A 80 70.794 3.034 1.821 1.00 0.72 C ATOM 1188 C MET A 80 72.118 2.820 1.080 1.00 0.71 C ATOM 1189 O MET A 80 73.016 2.169 1.574 1.00 0.76 O ATOM 1190 CB MET A 80 69.984 1.739 1.861 1.00 0.80 C ATOM 1191 CG MET A 80 70.592 0.789 2.895 1.00 1.12 C ATOM 1192 SD MET A 80 69.323 0.302 4.088 1.00 2.17 S ATOM 1193 CE MET A 80 69.695 -1.469 4.101 1.00 2.77 C ATOM 0 H MET A 80 69.137 3.594 0.598 1.00 0.65 H new ATOM 0 HA MET A 80 71.045 3.387 2.821 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.946 1.954 2.115 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.980 1.269 0.877 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.998 -0.093 2.400 1.00 1.12 H new ATOM 0 HG3 MET A 80 71.421 1.276 3.409 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.801 -2.027 4.380 1.00 2.77 H new ATOM 0 HE2 MET A 80 70.022 -1.779 3.108 1.00 2.77 H new ATOM 0 HE3 MET A 80 70.487 -1.669 4.823 1.00 2.77 H new ATOM 1203 N MET A 81 72.249 3.372 -0.096 1.00 0.69 N ATOM 1204 CA MET A 81 73.525 3.205 -0.857 1.00 0.74 C ATOM 1205 C MET A 81 74.290 4.529 -0.874 1.00 0.75 C ATOM 1206 O MET A 81 75.482 4.568 -1.111 1.00 0.82 O ATOM 1207 CB MET A 81 73.164 2.778 -2.298 1.00 0.73 C ATOM 1208 CG MET A 81 71.645 2.652 -2.498 1.00 0.89 C ATOM 1209 SD MET A 81 71.017 1.262 -1.523 1.00 1.41 S ATOM 1210 CE MET A 81 72.067 -0.019 -2.251 1.00 1.21 C ATOM 0 H MET A 81 71.533 3.929 -0.562 1.00 0.69 H new ATOM 0 HA MET A 81 74.157 2.450 -0.389 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.563 3.507 -3.003 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.640 1.823 -2.523 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.150 3.575 -2.195 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.418 2.501 -3.553 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.531 -0.968 -2.259 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.327 0.260 -3.272 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.977 -0.122 -1.661 1.00 1.21 H new ATOM 1220 N VAL A 82 73.616 5.617 -0.616 1.00 0.72 N ATOM 1221 CA VAL A 82 74.305 6.938 -0.606 1.00 0.78 C ATOM 1222 C VAL A 82 75.105 7.094 0.687 1.00 0.81 C ATOM 1223 O VAL A 82 76.095 7.799 0.738 1.00 0.93 O ATOM 1224 CB VAL A 82 73.179 7.971 -0.671 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.752 9.367 -0.421 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.529 7.929 -2.057 1.00 1.36 C ATOM 0 H VAL A 82 72.617 5.647 -0.412 1.00 0.72 H new ATOM 0 HA VAL A 82 75.006 7.051 -1.433 1.00 0.78 H new ATOM 0 HB VAL A 82 72.432 7.743 0.090 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.950 10.103 -0.467 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.217 9.398 0.564 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.498 9.596 -1.182 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.726 8.665 -2.105 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.277 8.158 -2.817 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.121 6.935 -2.238 1.00 1.36 H new ATOM 1236 N ARG A 83 74.685 6.438 1.733 1.00 0.79 N ATOM 1237 CA ARG A 83 75.418 6.538 3.026 1.00 0.85 C ATOM 1238 C ARG A 83 76.360 5.342 3.187 1.00 0.90 C ATOM 1239 O ARG A 83 77.226 5.330 4.039 1.00 1.00 O ATOM 1240 CB ARG A 83 74.330 6.513 4.099 1.00 0.87 C ATOM 1241 CG ARG A 83 74.973 6.577 5.486 1.00 1.07 C ATOM 1242 CD ARG A 83 73.899 6.883 6.531 1.00 0.92 C ATOM 1243 NE ARG A 83 74.652 7.218 7.771 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.590 8.422 8.268 1.00 1.83 C ATOM 1245 NH1 ARG A 83 73.431 8.957 8.540 1.00 2.14 N ATOM 1246 NH2 ARG A 83 75.687 9.094 8.492 1.00 2.49 N ATOM 0 H ARG A 83 73.863 5.835 1.748 1.00 0.79 H new ATOM 0 HA ARG A 83 76.030 7.438 3.089 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.652 7.355 3.963 1.00 0.87 H new ATOM 0 HB3 ARG A 83 73.734 5.605 4.005 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.461 5.630 5.717 1.00 1.07 H new ATOM 0 HG3 ARG A 83 75.745 7.346 5.506 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.267 7.714 6.216 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.244 6.026 6.686 1.00 0.92 H new ATOM 0 HE ARG A 83 75.217 6.505 8.232 1.00 1.62 H new ATOM 0 HH11 ARG A 83 72.574 8.433 8.364 1.00 2.14 H new ATOM 0 HH12 ARG A 83 73.383 9.899 8.929 1.00 2.14 H new ATOM 0 HH21 ARG A 83 76.593 8.677 8.278 1.00 2.49 H new ATOM 0 HH22 ARG A 83 75.638 10.036 8.881 1.00 2.49 H new ATOM 1260 N SER A 84 76.197 4.336 2.372 1.00 0.92 N ATOM 1261 CA SER A 84 77.080 3.139 2.474 1.00 1.01 C ATOM 1262 C SER A 84 78.257 3.269 1.503 1.00 1.06 C ATOM 1263 O SER A 84 79.405 3.139 1.884 1.00 1.38 O ATOM 1264 CB SER A 84 76.192 1.958 2.088 1.00 1.04 C ATOM 1265 OG SER A 84 75.865 1.214 3.254 1.00 1.52 O ATOM 0 H SER A 84 75.489 4.291 1.639 1.00 0.92 H new ATOM 0 HA SER A 84 77.503 3.020 3.471 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.283 2.315 1.604 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.707 1.321 1.369 1.00 1.04 H new ATOM 0 HG SER A 84 75.294 0.456 3.009 1.00 1.52 H new ATOM 1271 N MET A 85 77.983 3.523 0.253 1.00 0.00 N ATOM 1272 CA MET A 85 79.088 3.660 -0.739 1.00 0.00 C ATOM 1273 C MET A 85 80.104 4.698 -0.254 1.00 0.00 C ATOM 1274 O MET A 85 81.278 4.416 -0.120 1.00 0.00 O ATOM 1275 CB MET A 85 78.409 4.132 -2.024 1.00 0.00 C ATOM 1276 CG MET A 85 77.735 2.942 -2.712 1.00 0.00 C ATOM 1277 SD MET A 85 77.617 3.261 -4.490 1.00 0.00 S ATOM 1278 CE MET A 85 75.936 3.931 -4.489 1.00 0.00 C ATOM 0 H MET A 85 77.043 3.642 -0.125 1.00 0.00 H new ATOM 0 HA MET A 85 79.632 2.727 -0.886 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.670 4.900 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.143 4.583 -2.691 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.308 2.032 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.741 2.781 -2.294 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.800 4.573 -5.359 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.218 3.112 -4.526 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.777 4.512 -3.581 1.00 0.00 H new