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 69 SER OG : rot -67:sc= 2.84 USER MOD Set 1.2: A 71 THR OG1 : rot -82:sc= 1.2 USER MOD Set 2.1: A 60 MET CE :methyl 160:sc= -1.01 (180deg=-2.19!) USER MOD Set 2.2: A 84 SER OG : rot 108:sc= -0.215 USER MOD Set 3.1: A 16 GLN : amide:sc= -3.97! C(o=-4!,f=-8.7!) USER MOD Set 3.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.217 X(o=-0.22,f=-0.59) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.0434 (180deg=-0.069) USER MOD Single : A 18 ASN : amide:sc= -1.9! K(o=-1.9!,f=-2.4) USER MOD Single : A 21 LYS NZ :NH3+ -109:sc= 0.295 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.568 USER MOD Single : A 37 SER OG : rot 180:sc= 0.247 USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.16 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 142:sc= -1.21 (180deg=-3.36!) USER MOD Single : A 47 MET CE :methyl 162:sc= -4.82 (180deg=-7.31!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 51 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 53 THR OG1 : rot 129:sc= -0.452 USER MOD Single : A 58 GLN : amide:sc= 0.0896 X(o=0.09,f=-0.17) USER MOD Single : A 80 MET CE :methyl -128:sc= -2.26 (180deg=-6.33!) USER MOD Single : A 81 MET CE :methyl -161:sc= -1.18 (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 70.499 12.917 0.588 1.00 0.88 N ATOM 45 CA TYR A 5 70.942 11.722 -0.187 1.00 0.86 C ATOM 46 C TYR A 5 70.332 11.745 -1.591 1.00 0.78 C ATOM 47 O TYR A 5 70.961 11.361 -2.557 1.00 0.79 O ATOM 48 CB TYR A 5 70.422 10.522 0.605 1.00 1.02 C ATOM 49 CG TYR A 5 70.775 10.693 2.063 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.047 10.331 2.522 1.00 1.94 C ATOM 51 CD2 TYR A 5 69.831 11.215 2.954 1.00 1.64 C ATOM 52 CE1 TYR A 5 72.374 10.491 3.874 1.00 2.20 C ATOM 53 CE2 TYR A 5 70.158 11.375 4.306 1.00 1.80 C ATOM 54 CZ TYR A 5 71.429 11.013 4.766 1.00 1.77 C ATOM 55 OH TYR A 5 71.750 11.171 6.098 1.00 2.07 O ATOM 0 HA TYR A 5 72.024 11.689 -0.313 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.342 10.436 0.489 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.859 9.601 0.219 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.776 9.929 1.834 1.00 1.94 H new ATOM 0 HD2 TYR A 5 68.850 11.495 2.599 1.00 1.64 H new ATOM 0 HE1 TYR A 5 73.355 10.212 4.229 1.00 2.20 H new ATOM 0 HE2 TYR A 5 69.429 11.778 4.994 1.00 1.80 H new ATOM 0 HH TYR A 5 70.982 11.546 6.577 1.00 2.07 H new ATOM 65 N LYS A 6 69.112 12.193 -1.712 1.00 0.89 N ATOM 66 CA LYS A 6 68.465 12.240 -3.054 1.00 1.01 C ATOM 67 C LYS A 6 69.440 12.801 -4.093 1.00 0.98 C ATOM 68 O LYS A 6 69.624 12.238 -5.154 1.00 1.00 O ATOM 69 CB LYS A 6 67.266 13.174 -2.884 1.00 1.28 C ATOM 70 CG LYS A 6 66.282 12.959 -4.036 1.00 1.60 C ATOM 71 CD LYS A 6 66.877 13.529 -5.327 1.00 2.04 C ATOM 72 CE LYS A 6 65.789 14.270 -6.107 1.00 2.60 C ATOM 73 NZ LYS A 6 65.148 13.228 -6.957 1.00 3.24 N ATOM 0 H LYS A 6 68.536 12.528 -0.940 1.00 0.89 H new ATOM 0 HA LYS A 6 68.165 11.252 -3.402 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.774 12.981 -1.931 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.600 14.211 -2.866 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.074 11.896 -4.157 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.333 13.447 -3.814 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.698 14.207 -5.093 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.291 12.725 -5.935 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.066 14.731 -5.435 1.00 2.60 H new ATOM 0 HE3 LYS A 6 66.214 15.069 -6.715 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.390 13.660 -7.523 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 65.859 12.812 -7.591 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.747 12.484 -6.351 1.00 3.24 H new ATOM 87 N ALA A 7 70.065 13.908 -3.797 1.00 1.07 N ATOM 88 CA ALA A 7 71.027 14.505 -4.768 1.00 1.20 C ATOM 89 C ALA A 7 71.949 13.422 -5.335 1.00 1.08 C ATOM 90 O ALA A 7 72.178 13.350 -6.525 1.00 1.19 O ATOM 91 CB ALA A 7 71.829 15.522 -3.957 1.00 1.36 C ATOM 0 H ALA A 7 69.951 14.425 -2.925 1.00 1.07 H new ATOM 0 HA ALA A 7 70.523 14.967 -5.617 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.561 16.006 -4.603 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.154 16.273 -3.546 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.344 15.013 -3.142 1.00 1.36 H new ATOM 97 N ALA A 8 72.480 12.580 -4.490 1.00 0.95 N ATOM 98 CA ALA A 8 73.386 11.503 -4.981 1.00 0.96 C ATOM 99 C ALA A 8 72.602 10.493 -5.822 1.00 0.90 C ATOM 100 O ALA A 8 72.936 10.224 -6.958 1.00 1.01 O ATOM 101 CB ALA A 8 73.932 10.839 -3.717 1.00 0.98 C ATOM 0 H ALA A 8 72.326 12.592 -3.482 1.00 0.95 H new ATOM 0 HA ALA A 8 74.183 11.891 -5.615 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.610 10.032 -3.994 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.470 11.577 -3.122 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.106 10.434 -3.133 1.00 0.98 H new ATOM 107 N VAL A 9 71.560 9.931 -5.271 1.00 0.83 N ATOM 108 CA VAL A 9 70.756 8.937 -6.040 1.00 0.82 C ATOM 109 C VAL A 9 70.397 9.501 -7.418 1.00 0.97 C ATOM 110 O VAL A 9 70.098 8.769 -8.340 1.00 1.02 O ATOM 111 CB VAL A 9 69.494 8.719 -5.206 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.443 7.997 -6.051 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.834 7.867 -3.980 1.00 0.70 C ATOM 0 H VAL A 9 71.231 10.116 -4.324 1.00 0.83 H new ATOM 0 HA VAL A 9 71.299 8.007 -6.208 1.00 0.82 H new ATOM 0 HB VAL A 9 69.101 9.683 -4.882 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.543 7.841 -5.457 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.201 8.602 -6.925 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.836 7.033 -6.374 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.934 7.711 -3.385 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.226 6.903 -4.304 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.584 8.380 -3.377 1.00 0.70 H new ATOM 123 N GLU A 10 70.424 10.797 -7.565 1.00 1.12 N ATOM 124 CA GLU A 10 70.087 11.407 -8.880 1.00 1.32 C ATOM 125 C GLU A 10 71.324 11.393 -9.786 1.00 1.37 C ATOM 126 O GLU A 10 71.228 11.209 -10.984 1.00 1.56 O ATOM 127 CB GLU A 10 69.649 12.838 -8.536 1.00 1.51 C ATOM 128 CG GLU A 10 70.019 13.798 -9.669 1.00 1.80 C ATOM 129 CD GLU A 10 69.253 15.111 -9.500 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.710 15.322 -8.428 1.00 2.28 O ATOM 131 OE2 GLU A 10 69.223 15.884 -10.443 1.00 2.61 O ATOM 0 H GLU A 10 70.666 11.460 -6.829 1.00 1.12 H new ATOM 0 HA GLU A 10 69.306 10.871 -9.420 1.00 1.32 H new ATOM 0 HB2 GLU A 10 68.573 12.864 -8.366 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.126 13.158 -7.610 1.00 1.51 H new ATOM 0 HG2 GLU A 10 71.092 13.988 -9.662 1.00 1.80 H new ATOM 0 HG3 GLU A 10 69.781 13.348 -10.633 1.00 1.80 H new ATOM 138 N GLN A 11 72.485 11.585 -9.221 1.00 1.29 N ATOM 139 CA GLN A 11 73.725 11.580 -10.047 1.00 1.45 C ATOM 140 C GLN A 11 74.247 10.148 -10.203 1.00 1.35 C ATOM 141 O GLN A 11 75.377 9.926 -10.589 1.00 1.53 O ATOM 142 CB GLN A 11 74.724 12.433 -9.265 1.00 1.61 C ATOM 143 CG GLN A 11 74.626 13.886 -9.735 1.00 2.13 C ATOM 144 CD GLN A 11 74.695 14.820 -8.525 1.00 2.44 C ATOM 145 OE1 GLN A 11 73.700 15.059 -7.870 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.835 15.363 -8.200 1.00 2.71 N ATOM 0 H GLN A 11 72.628 11.745 -8.224 1.00 1.29 H new ATOM 0 HA GLN A 11 73.556 11.969 -11.051 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.516 12.370 -8.197 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.736 12.058 -9.415 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.437 14.111 -10.428 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.692 14.042 -10.276 1.00 2.13 H new ATOM 0 HE21 GLN A 11 76.670 15.163 -8.750 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.891 15.988 -7.396 1.00 2.71 H new ATOM 155 N LEU A 12 73.428 9.176 -9.906 1.00 1.18 N ATOM 156 CA LEU A 12 73.869 7.757 -10.036 1.00 1.21 C ATOM 157 C LEU A 12 73.960 7.366 -11.513 1.00 1.11 C ATOM 158 O LEU A 12 73.810 8.189 -12.394 1.00 1.25 O ATOM 159 CB LEU A 12 72.784 6.940 -9.333 1.00 1.32 C ATOM 160 CG LEU A 12 73.174 6.721 -7.871 1.00 1.38 C ATOM 161 CD1 LEU A 12 72.130 5.833 -7.191 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.541 6.038 -7.805 1.00 1.68 C ATOM 0 H LEU A 12 72.471 9.303 -9.578 1.00 1.18 H new ATOM 0 HA LEU A 12 74.854 7.589 -9.600 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.828 7.460 -9.391 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.656 5.980 -9.833 1.00 1.32 H new ATOM 0 HG LEU A 12 73.222 7.683 -7.361 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.408 5.677 -6.149 1.00 1.49 H new ATOM 0 HD12 LEU A 12 71.155 6.317 -7.238 1.00 1.49 H new ATOM 0 HD13 LEU A 12 72.082 4.871 -7.702 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.820 5.882 -6.763 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.492 5.076 -8.316 1.00 1.68 H new ATOM 0 HD23 LEU A 12 75.287 6.669 -8.289 1.00 1.68 H new ATOM 174 N THR A 13 74.206 6.115 -11.789 1.00 1.05 N ATOM 175 CA THR A 13 74.306 5.669 -13.209 1.00 1.13 C ATOM 176 C THR A 13 73.171 4.695 -13.537 1.00 0.94 C ATOM 177 O THR A 13 72.756 3.909 -12.709 1.00 0.87 O ATOM 178 CB THR A 13 75.663 4.971 -13.309 1.00 1.38 C ATOM 179 OG1 THR A 13 75.919 4.262 -12.104 1.00 1.89 O ATOM 180 CG2 THR A 13 76.761 6.011 -13.536 1.00 1.68 C ATOM 0 H THR A 13 74.342 5.382 -11.093 1.00 1.05 H new ATOM 0 HA THR A 13 74.223 6.498 -13.912 1.00 1.13 H new ATOM 0 HB THR A 13 75.651 4.273 -14.146 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.788 3.813 -12.167 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.727 5.511 -13.607 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.564 6.552 -14.461 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.776 6.712 -12.702 1.00 1.68 H new ATOM 188 N GLU A 14 72.667 4.739 -14.740 1.00 0.94 N ATOM 189 CA GLU A 14 71.560 3.815 -15.119 1.00 0.90 C ATOM 190 C GLU A 14 71.856 2.400 -14.618 1.00 0.82 C ATOM 191 O GLU A 14 70.959 1.632 -14.332 1.00 0.82 O ATOM 192 CB GLU A 14 71.525 3.844 -16.648 1.00 1.05 C ATOM 193 CG GLU A 14 70.687 5.034 -17.121 1.00 2.10 C ATOM 194 CD GLU A 14 69.621 4.549 -18.106 1.00 2.64 C ATOM 195 OE1 GLU A 14 69.040 3.506 -17.854 1.00 2.91 O ATOM 196 OE2 GLU A 14 69.405 5.227 -19.096 1.00 3.31 O ATOM 0 H GLU A 14 72.974 5.374 -15.477 1.00 0.94 H new ATOM 0 HA GLU A 14 70.607 4.114 -14.683 1.00 0.90 H new ATOM 0 HB2 GLU A 14 72.538 3.920 -17.043 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.103 2.914 -17.030 1.00 1.05 H new ATOM 0 HG2 GLU A 14 70.214 5.521 -16.268 1.00 2.10 H new ATOM 0 HG3 GLU A 14 71.327 5.776 -17.598 1.00 2.10 H new ATOM 203 N GLU A 15 73.108 2.048 -14.514 1.00 0.92 N ATOM 204 CA GLU A 15 73.460 0.681 -14.034 1.00 1.01 C ATOM 205 C GLU A 15 73.120 0.535 -12.549 1.00 0.90 C ATOM 206 O GLU A 15 72.787 -0.537 -12.082 1.00 0.89 O ATOM 207 CB GLU A 15 74.969 0.564 -14.255 1.00 1.23 C ATOM 208 CG GLU A 15 75.240 0.063 -15.674 1.00 1.92 C ATOM 209 CD GLU A 15 75.488 -1.446 -15.645 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.348 -2.030 -14.583 1.00 2.80 O ATOM 211 OE2 GLU A 15 75.813 -1.993 -16.686 1.00 2.90 O ATOM 0 H GLU A 15 73.902 2.647 -14.740 1.00 0.92 H new ATOM 0 HA GLU A 15 72.908 -0.097 -14.561 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.446 1.532 -14.103 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.402 -0.122 -13.527 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.391 0.290 -16.319 1.00 1.92 H new ATOM 0 HG3 GLU A 15 76.105 0.576 -16.093 1.00 1.92 H new ATOM 218 N GLN A 16 73.199 1.603 -11.804 1.00 0.89 N ATOM 219 CA GLN A 16 72.878 1.521 -10.350 1.00 0.87 C ATOM 220 C GLN A 16 71.362 1.549 -10.143 1.00 0.68 C ATOM 221 O GLN A 16 70.808 0.736 -9.429 1.00 0.67 O ATOM 222 CB GLN A 16 73.527 2.759 -9.732 1.00 0.97 C ATOM 223 CG GLN A 16 75.049 2.650 -9.848 1.00 1.77 C ATOM 224 CD GLN A 16 75.637 2.270 -8.488 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.945 2.281 -7.488 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.894 1.927 -8.407 1.00 2.61 N ATOM 0 H GLN A 16 73.471 2.528 -12.138 1.00 0.89 H new ATOM 0 HA GLN A 16 73.244 0.600 -9.896 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.177 3.658 -10.239 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.237 2.850 -8.685 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.315 1.901 -10.594 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.468 3.598 -10.185 1.00 1.77 H new ATOM 0 HE21 GLN A 16 77.475 1.917 -9.245 1.00 2.61 H new ATOM 0 HE22 GLN A 16 77.295 1.668 -7.505 1.00 2.61 H new ATOM 235 N LYS A 17 70.684 2.479 -10.760 1.00 0.63 N ATOM 236 CA LYS A 17 69.204 2.558 -10.596 1.00 0.62 C ATOM 237 C LYS A 17 68.542 1.289 -11.141 1.00 0.60 C ATOM 238 O LYS A 17 67.768 0.641 -10.465 1.00 0.66 O ATOM 239 CB LYS A 17 68.780 3.778 -11.414 1.00 0.74 C ATOM 240 CG LYS A 17 69.633 4.983 -11.015 1.00 1.21 C ATOM 241 CD LYS A 17 68.847 6.271 -11.266 1.00 1.31 C ATOM 242 CE LYS A 17 68.869 7.136 -10.003 1.00 1.43 C ATOM 243 NZ LYS A 17 67.505 6.997 -9.421 1.00 2.06 N ATOM 0 H LYS A 17 71.091 3.187 -11.371 1.00 0.63 H new ATOM 0 HA LYS A 17 68.908 2.645 -9.550 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.896 3.573 -12.478 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.725 3.994 -11.244 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.911 4.913 -9.963 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.559 4.992 -11.589 1.00 1.21 H new ATOM 0 HD2 LYS A 17 69.282 6.818 -12.102 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.819 6.035 -11.540 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.633 6.796 -9.304 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.094 8.176 -10.240 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 67.547 7.163 -8.395 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 66.868 7.693 -9.859 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.146 6.038 -9.602 1.00 2.06 H new ATOM 257 N ASN A 18 68.842 0.929 -12.359 1.00 0.70 N ATOM 258 CA ASN A 18 68.229 -0.297 -12.948 1.00 0.85 C ATOM 259 C ASN A 18 68.435 -1.492 -12.015 1.00 0.70 C ATOM 260 O ASN A 18 67.548 -2.300 -11.820 1.00 0.66 O ATOM 261 CB ASN A 18 68.970 -0.512 -14.267 1.00 1.11 C ATOM 262 CG ASN A 18 68.503 0.522 -15.292 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.336 0.858 -15.347 1.00 2.15 O ATOM 264 ND2 ASN A 18 69.371 1.047 -16.113 1.00 2.13 N ATOM 0 H ASN A 18 69.485 1.430 -12.972 1.00 0.70 H new ATOM 0 HA ASN A 18 67.154 -0.193 -13.096 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.045 -0.424 -14.110 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.784 -1.519 -14.640 1.00 1.11 H new ATOM 0 HD21 ASN A 18 69.070 1.738 -16.800 1.00 2.13 H new ATOM 0 HD22 ASN A 18 70.350 0.766 -16.068 1.00 2.13 H new ATOM 271 N GLU A 19 69.599 -1.615 -11.439 1.00 0.76 N ATOM 272 CA GLU A 19 69.861 -2.761 -10.523 1.00 0.79 C ATOM 273 C GLU A 19 69.268 -2.484 -9.140 1.00 0.65 C ATOM 274 O GLU A 19 68.981 -3.391 -8.384 1.00 0.66 O ATOM 275 CB GLU A 19 71.385 -2.860 -10.440 1.00 0.98 C ATOM 276 CG GLU A 19 71.780 -4.265 -9.979 1.00 1.21 C ATOM 277 CD GLU A 19 73.161 -4.217 -9.323 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.481 -3.197 -8.735 1.00 2.53 O ATOM 279 OE2 GLU A 19 73.876 -5.200 -9.420 1.00 2.44 O ATOM 0 H GLU A 19 70.380 -0.971 -11.563 1.00 0.76 H new ATOM 0 HA GLU A 19 69.409 -3.686 -10.882 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.828 -2.647 -11.413 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.771 -2.115 -9.744 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.043 -4.648 -9.273 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.793 -4.948 -10.828 1.00 1.21 H new ATOM 286 N PHE A 20 69.081 -1.237 -8.801 1.00 0.67 N ATOM 287 CA PHE A 20 68.507 -0.908 -7.465 1.00 0.75 C ATOM 288 C PHE A 20 66.981 -1.024 -7.500 1.00 0.66 C ATOM 289 O PHE A 20 66.391 -1.785 -6.759 1.00 0.79 O ATOM 290 CB PHE A 20 68.933 0.540 -7.197 1.00 0.97 C ATOM 291 CG PHE A 20 70.416 0.603 -6.891 1.00 1.44 C ATOM 292 CD1 PHE A 20 71.195 -0.565 -6.885 1.00 2.24 C ATOM 293 CD2 PHE A 20 71.014 1.839 -6.615 1.00 2.35 C ATOM 294 CE1 PHE A 20 72.564 -0.494 -6.602 1.00 3.29 C ATOM 295 CE2 PHE A 20 72.384 1.908 -6.332 1.00 3.36 C ATOM 296 CZ PHE A 20 73.158 0.742 -6.326 1.00 3.69 C ATOM 0 H PHE A 20 69.300 -0.434 -9.390 1.00 0.67 H new ATOM 0 HA PHE A 20 68.856 -1.586 -6.686 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.707 1.159 -8.065 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.364 0.945 -6.360 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.737 -1.520 -7.099 1.00 2.24 H new ATOM 0 HD2 PHE A 20 70.418 2.740 -6.620 1.00 2.35 H new ATOM 0 HE1 PHE A 20 73.162 -1.394 -6.597 1.00 3.29 H new ATOM 0 HE2 PHE A 20 72.843 2.862 -6.118 1.00 3.36 H new ATOM 0 HZ PHE A 20 74.214 0.797 -6.108 1.00 3.69 H new ATOM 306 N LYS A 21 66.338 -0.278 -8.355 1.00 0.60 N ATOM 307 CA LYS A 21 64.850 -0.348 -8.435 1.00 0.65 C ATOM 308 C LYS A 21 64.405 -1.778 -8.753 1.00 0.57 C ATOM 309 O LYS A 21 63.576 -2.348 -8.072 1.00 0.57 O ATOM 310 CB LYS A 21 64.469 0.597 -9.574 1.00 0.78 C ATOM 311 CG LYS A 21 64.627 2.046 -9.109 1.00 1.27 C ATOM 312 CD LYS A 21 64.813 2.956 -10.325 1.00 1.58 C ATOM 313 CE LYS A 21 64.033 4.256 -10.117 1.00 2.42 C ATOM 314 NZ LYS A 21 62.639 3.940 -10.537 1.00 2.88 N ATOM 0 H LYS A 21 66.777 0.377 -9.002 1.00 0.60 H new ATOM 0 HA LYS A 21 64.372 -0.067 -7.496 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.102 0.411 -10.442 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.440 0.414 -9.884 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.749 2.355 -8.542 1.00 1.27 H new ATOM 0 HG3 LYS A 21 65.484 2.133 -8.442 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.871 3.174 -10.470 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.465 2.451 -11.226 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.069 4.575 -9.075 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.451 5.067 -10.714 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 62.428 4.425 -11.432 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 62.540 2.913 -10.668 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 61.974 4.261 -9.804 1.00 2.88 H new ATOM 328 N ALA A 22 64.949 -2.362 -9.786 1.00 0.59 N ATOM 329 CA ALA A 22 64.557 -3.754 -10.149 1.00 0.62 C ATOM 330 C ALA A 22 64.648 -4.669 -8.923 1.00 0.50 C ATOM 331 O ALA A 22 63.697 -5.331 -8.560 1.00 0.50 O ATOM 332 CB ALA A 22 65.565 -4.184 -11.215 1.00 0.76 C ATOM 0 H ALA A 22 65.648 -1.935 -10.394 1.00 0.59 H new ATOM 0 HA ALA A 22 63.531 -3.812 -10.511 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.344 -5.202 -11.536 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.499 -3.512 -12.070 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.572 -4.145 -10.800 1.00 0.76 H new ATOM 338 N ALA A 23 65.786 -4.710 -8.284 1.00 0.50 N ATOM 339 CA ALA A 23 65.935 -5.584 -7.083 1.00 0.53 C ATOM 340 C ALA A 23 64.721 -5.436 -6.163 1.00 0.46 C ATOM 341 O ALA A 23 64.129 -6.409 -5.739 1.00 0.52 O ATOM 342 CB ALA A 23 67.200 -5.084 -6.386 1.00 0.64 C ATOM 0 H ALA A 23 66.618 -4.178 -8.540 1.00 0.50 H new ATOM 0 HA ALA A 23 66.003 -6.639 -7.347 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.380 -5.677 -5.490 1.00 0.64 H new ATOM 0 HB2 ALA A 23 68.050 -5.180 -7.062 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.073 -4.037 -6.109 1.00 0.64 H new ATOM 348 N PHE A 24 64.347 -4.226 -5.849 1.00 0.47 N ATOM 349 CA PHE A 24 63.172 -4.015 -4.955 1.00 0.57 C ATOM 350 C PHE A 24 61.926 -4.677 -5.548 1.00 0.48 C ATOM 351 O PHE A 24 61.120 -5.251 -4.843 1.00 0.51 O ATOM 352 CB PHE A 24 62.995 -2.497 -4.893 1.00 0.77 C ATOM 353 CG PHE A 24 61.680 -2.163 -4.226 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.476 -2.365 -4.910 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.668 -1.649 -2.924 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.259 -2.055 -4.291 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.451 -1.339 -2.305 1.00 1.62 C ATOM 358 CZ PHE A 24 59.246 -1.541 -2.990 1.00 1.25 C ATOM 0 H PHE A 24 64.804 -3.374 -6.173 1.00 0.47 H new ATOM 0 HA PHE A 24 63.320 -4.452 -3.967 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.819 -2.048 -4.339 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.021 -2.077 -5.899 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.486 -2.760 -5.915 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.597 -1.492 -2.397 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.330 -2.213 -4.818 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.441 -0.944 -1.300 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.307 -1.300 -2.514 1.00 1.25 H new ATOM 368 N ASP A 25 61.758 -4.596 -6.838 1.00 0.45 N ATOM 369 CA ASP A 25 60.559 -5.211 -7.479 1.00 0.53 C ATOM 370 C ASP A 25 60.650 -6.742 -7.445 1.00 0.52 C ATOM 371 O ASP A 25 59.681 -7.432 -7.696 1.00 0.60 O ATOM 372 CB ASP A 25 60.582 -4.706 -8.921 1.00 0.66 C ATOM 373 CG ASP A 25 59.173 -4.793 -9.513 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.433 -5.672 -9.104 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.859 -3.978 -10.365 1.00 1.52 O ATOM 0 H ASP A 25 62.400 -4.130 -7.479 1.00 0.45 H new ATOM 0 HA ASP A 25 59.637 -4.943 -6.963 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.938 -3.676 -8.952 1.00 0.66 H new ATOM 0 HB3 ASP A 25 61.275 -5.301 -9.515 1.00 0.66 H new ATOM 380 N ILE A 26 61.800 -7.279 -7.140 1.00 0.50 N ATOM 381 CA ILE A 26 61.934 -8.765 -7.099 1.00 0.63 C ATOM 382 C ILE A 26 62.043 -9.252 -5.652 1.00 0.70 C ATOM 383 O ILE A 26 61.823 -10.411 -5.360 1.00 0.94 O ATOM 384 CB ILE A 26 63.223 -9.072 -7.862 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.205 -8.349 -9.209 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.329 -10.581 -8.096 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.513 -8.624 -9.952 1.00 0.69 C ATOM 0 H ILE A 26 62.648 -6.758 -6.919 1.00 0.50 H new ATOM 0 HA ILE A 26 61.070 -9.264 -7.538 1.00 0.63 H new ATOM 0 HB ILE A 26 64.079 -8.732 -7.279 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.358 -8.688 -9.805 1.00 0.72 H new ATOM 0 HG13 ILE A 26 63.079 -7.277 -9.057 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.248 -10.801 -8.640 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.343 -11.098 -7.136 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.472 -10.920 -8.679 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.501 -8.109 -10.913 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.352 -8.263 -9.357 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.619 -9.696 -10.117 1.00 0.69 H new ATOM 399 N PHE A 27 62.386 -8.381 -4.744 1.00 0.61 N ATOM 400 CA PHE A 27 62.513 -8.805 -3.320 1.00 0.79 C ATOM 401 C PHE A 27 61.260 -8.419 -2.532 1.00 0.76 C ATOM 402 O PHE A 27 61.009 -8.933 -1.460 1.00 1.03 O ATOM 403 CB PHE A 27 63.733 -8.055 -2.791 1.00 0.91 C ATOM 404 CG PHE A 27 64.967 -8.899 -2.996 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.284 -9.910 -2.080 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.795 -8.672 -4.102 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.427 -10.695 -2.272 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.939 -9.456 -4.293 1.00 2.83 C ATOM 409 CZ PHE A 27 67.254 -10.468 -3.379 1.00 3.21 C ATOM 0 H PHE A 27 62.583 -7.397 -4.925 1.00 0.61 H new ATOM 0 HA PHE A 27 62.623 -9.885 -3.222 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.841 -7.102 -3.309 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.605 -7.830 -1.732 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.647 -10.084 -1.226 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.551 -7.892 -4.808 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.671 -11.476 -1.567 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.578 -9.280 -5.145 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.135 -11.074 -3.528 1.00 3.21 H new ATOM 419 N VAL A 28 60.469 -7.520 -3.049 1.00 0.63 N ATOM 420 CA VAL A 28 59.237 -7.113 -2.320 1.00 0.65 C ATOM 421 C VAL A 28 58.094 -8.081 -2.651 1.00 0.65 C ATOM 422 O VAL A 28 56.994 -7.947 -2.156 1.00 0.74 O ATOM 423 CB VAL A 28 58.944 -5.693 -2.819 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.438 -5.424 -2.814 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.638 -4.694 -1.896 1.00 1.47 C ATOM 0 H VAL A 28 60.622 -7.051 -3.942 1.00 0.63 H new ATOM 0 HA VAL A 28 59.351 -7.136 -1.236 1.00 0.65 H new ATOM 0 HB VAL A 28 59.314 -5.588 -3.839 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.248 -4.412 -3.171 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.939 -6.139 -3.468 1.00 1.10 H new ATOM 0 HG13 VAL A 28 57.053 -5.529 -1.800 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.437 -3.680 -2.241 1.00 1.47 H new ATOM 0 HG22 VAL A 28 59.260 -4.814 -0.881 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.713 -4.875 -1.907 1.00 1.47 H new ATOM 435 N LEU A 29 58.351 -9.058 -3.476 1.00 0.92 N ATOM 436 CA LEU A 29 57.281 -10.035 -3.825 1.00 0.99 C ATOM 437 C LEU A 29 56.619 -10.559 -2.549 1.00 0.99 C ATOM 438 O LEU A 29 55.442 -10.856 -2.522 1.00 1.10 O ATOM 439 CB LEU A 29 58.007 -11.166 -4.544 1.00 1.43 C ATOM 440 CG LEU A 29 57.674 -11.124 -6.037 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.172 -11.339 -6.233 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.071 -9.761 -6.609 1.00 2.45 C ATOM 0 H LEU A 29 59.253 -9.222 -3.923 1.00 0.92 H new ATOM 0 HA LEU A 29 56.497 -9.593 -4.439 1.00 0.99 H new ATOM 0 HB2 LEU A 29 59.083 -11.071 -4.399 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.712 -12.127 -4.122 1.00 1.43 H new ATOM 0 HG LEU A 29 58.224 -11.911 -6.553 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.936 -11.309 -7.297 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.887 -12.309 -5.825 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.621 -10.553 -5.717 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.834 -9.730 -7.673 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.521 -8.975 -6.092 1.00 2.45 H new ATOM 0 HD23 LEU A 29 59.141 -9.606 -6.471 1.00 2.45 H new ATOM 454 N GLY A 30 57.373 -10.671 -1.491 1.00 1.16 N ATOM 455 CA GLY A 30 56.797 -11.170 -0.211 1.00 1.58 C ATOM 456 C GLY A 30 56.783 -10.031 0.808 1.00 1.39 C ATOM 457 O GLY A 30 56.528 -10.232 1.979 1.00 1.89 O ATOM 0 H GLY A 30 58.365 -10.438 -1.458 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.785 -11.542 -0.373 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.387 -12.005 0.167 1.00 1.58 H new ATOM 461 N ALA A 31 57.058 -8.836 0.366 1.00 0.90 N ATOM 462 CA ALA A 31 57.065 -7.675 1.301 1.00 0.95 C ATOM 463 C ALA A 31 55.819 -7.700 2.188 1.00 1.15 C ATOM 464 O ALA A 31 54.934 -8.514 2.011 1.00 1.41 O ATOM 465 CB ALA A 31 57.055 -6.440 0.399 1.00 0.97 C ATOM 0 H ALA A 31 57.279 -8.612 -0.604 1.00 0.90 H new ATOM 0 HA ALA A 31 57.928 -7.688 1.967 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.059 -5.540 1.014 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.939 -6.448 -0.239 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.159 -6.450 -0.222 1.00 0.97 H new ATOM 471 N GLU A 32 55.742 -6.812 3.141 1.00 1.35 N ATOM 472 CA GLU A 32 54.551 -6.784 4.041 1.00 1.90 C ATOM 473 C GLU A 32 53.564 -5.714 3.574 1.00 2.05 C ATOM 474 O GLU A 32 52.365 -5.916 3.574 1.00 2.79 O ATOM 475 CB GLU A 32 55.106 -6.437 5.422 1.00 2.37 C ATOM 476 CG GLU A 32 55.717 -7.686 6.058 1.00 2.44 C ATOM 477 CD GLU A 32 56.177 -7.362 7.481 1.00 2.83 C ATOM 478 OE1 GLU A 32 55.683 -6.395 8.035 1.00 3.29 O ATOM 479 OE2 GLU A 32 57.016 -8.087 7.991 1.00 3.24 O ATOM 0 H GLU A 32 56.451 -6.105 3.336 1.00 1.35 H new ATOM 0 HA GLU A 32 54.013 -7.732 4.046 1.00 1.90 H new ATOM 0 HB2 GLU A 32 55.860 -5.655 5.336 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.311 -6.045 6.057 1.00 2.37 H new ATOM 0 HG2 GLU A 32 54.985 -8.493 6.076 1.00 2.44 H new ATOM 0 HG3 GLU A 32 56.561 -8.035 5.462 1.00 2.44 H new ATOM 486 N ASP A 33 54.058 -4.576 3.172 1.00 1.80 N ATOM 487 CA ASP A 33 53.151 -3.491 2.701 1.00 2.11 C ATOM 488 C ASP A 33 53.749 -2.809 1.469 1.00 1.47 C ATOM 489 O ASP A 33 53.702 -1.603 1.330 1.00 1.80 O ATOM 490 CB ASP A 33 53.065 -2.510 3.870 1.00 3.12 C ATOM 491 CG ASP A 33 52.180 -3.101 4.968 1.00 3.68 C ATOM 492 OD1 ASP A 33 50.990 -3.236 4.733 1.00 4.12 O ATOM 493 OD2 ASP A 33 52.706 -3.411 6.025 1.00 4.09 O ATOM 0 H ASP A 33 55.052 -4.350 3.149 1.00 1.80 H new ATOM 0 HA ASP A 33 52.168 -3.866 2.414 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.062 -2.306 4.262 1.00 3.12 H new ATOM 0 HB3 ASP A 33 52.655 -1.559 3.531 1.00 3.12 H new ATOM 498 N GLY A 34 54.314 -3.573 0.574 1.00 1.10 N ATOM 499 CA GLY A 34 54.917 -2.971 -0.647 1.00 1.40 C ATOM 500 C GLY A 34 56.247 -2.309 -0.283 1.00 1.17 C ATOM 501 O GLY A 34 56.601 -1.274 -0.812 1.00 1.39 O ATOM 0 H GLY A 34 54.384 -4.589 0.637 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.076 -3.739 -1.404 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.237 -2.235 -1.077 1.00 1.40 H new ATOM 505 N SER A 35 56.988 -2.899 0.616 1.00 0.84 N ATOM 506 CA SER A 35 58.295 -2.302 1.013 1.00 0.70 C ATOM 507 C SER A 35 59.271 -3.399 1.435 1.00 0.67 C ATOM 508 O SER A 35 58.999 -4.575 1.291 1.00 0.80 O ATOM 509 CB SER A 35 57.970 -1.387 2.194 1.00 0.75 C ATOM 510 OG SER A 35 56.639 -0.905 2.063 1.00 1.04 O ATOM 0 H SER A 35 56.745 -3.768 1.092 1.00 0.84 H new ATOM 0 HA SER A 35 58.766 -1.758 0.194 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.081 -1.931 3.132 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.670 -0.552 2.225 1.00 0.75 H new ATOM 0 HG SER A 35 56.427 -0.319 2.820 1.00 1.04 H new ATOM 516 N ILE A 36 60.408 -3.026 1.954 1.00 0.69 N ATOM 517 CA ILE A 36 61.404 -4.051 2.382 1.00 0.78 C ATOM 518 C ILE A 36 61.856 -3.764 3.818 1.00 0.71 C ATOM 519 O ILE A 36 62.536 -2.793 4.080 1.00 0.98 O ATOM 520 CB ILE A 36 62.592 -3.935 1.410 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.163 -3.260 0.098 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.117 -5.333 1.092 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.302 -3.349 -0.919 1.00 1.22 C ATOM 0 H ILE A 36 60.691 -2.057 2.101 1.00 0.69 H new ATOM 0 HA ILE A 36 60.982 -5.056 2.362 1.00 0.78 H new ATOM 0 HB ILE A 36 63.367 -3.331 1.882 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.270 -3.744 -0.297 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.905 -2.217 0.281 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.959 -5.258 0.404 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.443 -5.817 2.012 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.324 -5.923 0.632 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.997 -2.870 -1.849 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.183 -2.845 -0.523 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.538 -4.396 -1.110 1.00 1.22 H new ATOM 535 N SER A 37 61.476 -4.597 4.748 1.00 0.87 N ATOM 536 CA SER A 37 61.876 -4.367 6.167 1.00 0.87 C ATOM 537 C SER A 37 63.307 -4.861 6.406 1.00 0.76 C ATOM 538 O SER A 37 63.788 -5.752 5.738 1.00 0.87 O ATOM 539 CB SER A 37 60.876 -5.176 6.994 1.00 1.12 C ATOM 540 OG SER A 37 61.574 -6.120 7.797 1.00 1.52 O ATOM 0 H SER A 37 60.906 -5.427 4.587 1.00 0.87 H new ATOM 0 HA SER A 37 61.864 -3.310 6.434 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.288 -4.510 7.626 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.176 -5.691 6.335 1.00 1.12 H new ATOM 0 HG SER A 37 60.932 -6.636 8.327 1.00 1.52 H new ATOM 546 N THR A 38 63.988 -4.286 7.360 1.00 0.71 N ATOM 547 CA THR A 38 65.388 -4.719 7.647 1.00 0.65 C ATOM 548 C THR A 38 65.483 -6.248 7.662 1.00 0.70 C ATOM 549 O THR A 38 66.526 -6.815 7.407 1.00 1.37 O ATOM 550 CB THR A 38 65.713 -4.148 9.029 1.00 0.76 C ATOM 551 OG1 THR A 38 66.836 -4.828 9.569 1.00 1.55 O ATOM 552 CG2 THR A 38 64.511 -4.332 9.950 1.00 1.00 C ATOM 0 H THR A 38 63.636 -3.535 7.954 1.00 0.71 H new ATOM 0 HA THR A 38 66.086 -4.366 6.888 1.00 0.65 H new ATOM 0 HB THR A 38 65.941 -3.086 8.941 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.856 -4.705 10.541 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.742 -3.926 10.935 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.650 -3.809 9.534 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.281 -5.394 10.040 1.00 1.00 H new ATOM 560 N LYS A 39 64.402 -6.919 7.953 1.00 0.60 N ATOM 561 CA LYS A 39 64.438 -8.410 7.977 1.00 0.66 C ATOM 562 C LYS A 39 64.251 -8.956 6.561 1.00 0.64 C ATOM 563 O LYS A 39 64.744 -10.014 6.219 1.00 0.87 O ATOM 564 CB LYS A 39 63.268 -8.823 8.874 1.00 0.81 C ATOM 565 CG LYS A 39 62.956 -10.305 8.657 1.00 1.42 C ATOM 566 CD LYS A 39 64.183 -11.145 9.016 1.00 1.58 C ATOM 567 CE LYS A 39 63.738 -12.557 9.409 1.00 2.15 C ATOM 568 NZ LYS A 39 64.997 -13.297 9.708 1.00 2.80 N ATOM 0 H LYS A 39 63.498 -6.502 8.175 1.00 0.60 H new ATOM 0 HA LYS A 39 65.387 -8.798 8.348 1.00 0.66 H new ATOM 0 HB2 LYS A 39 63.516 -8.642 9.920 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.390 -8.219 8.646 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.107 -10.602 9.272 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.674 -10.480 7.619 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.867 -11.190 8.168 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.726 -10.681 9.839 1.00 1.58 H new ATOM 0 HE2 LYS A 39 63.079 -12.534 10.277 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.184 -13.034 8.601 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.769 -14.273 9.985 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 65.602 -13.309 8.862 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 65.500 -12.825 10.486 1.00 2.80 H new ATOM 582 N GLU A 40 63.543 -8.238 5.736 1.00 0.63 N ATOM 583 CA GLU A 40 63.316 -8.701 4.339 1.00 0.68 C ATOM 584 C GLU A 40 64.257 -7.940 3.389 1.00 0.66 C ATOM 585 O GLU A 40 64.462 -8.329 2.257 1.00 0.83 O ATOM 586 CB GLU A 40 61.831 -8.387 4.075 1.00 0.86 C ATOM 587 CG GLU A 40 61.628 -7.813 2.670 1.00 1.05 C ATOM 588 CD GLU A 40 62.028 -8.856 1.624 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.803 -10.029 1.870 1.00 1.92 O ATOM 590 OE2 GLU A 40 62.552 -8.463 0.595 1.00 2.32 O ATOM 0 H GLU A 40 63.109 -7.345 5.970 1.00 0.63 H new ATOM 0 HA GLU A 40 63.526 -9.759 4.182 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.239 -9.295 4.189 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.469 -7.675 4.817 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.586 -7.526 2.531 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.227 -6.911 2.545 1.00 1.05 H new ATOM 597 N LEU A 41 64.833 -6.863 3.852 1.00 0.73 N ATOM 598 CA LEU A 41 65.767 -6.076 2.993 1.00 0.80 C ATOM 599 C LEU A 41 67.148 -6.737 2.969 1.00 0.72 C ATOM 600 O LEU A 41 67.847 -6.705 1.975 1.00 0.81 O ATOM 601 CB LEU A 41 65.839 -4.699 3.657 1.00 1.10 C ATOM 602 CG LEU A 41 66.655 -3.742 2.785 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.138 -4.114 2.864 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.181 -3.841 1.334 1.00 1.83 C ATOM 0 H LEU A 41 64.697 -6.492 4.792 1.00 0.73 H new ATOM 0 HA LEU A 41 65.430 -6.015 1.958 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.834 -4.304 3.804 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.295 -4.785 4.643 1.00 1.10 H new ATOM 0 HG LEU A 41 66.518 -2.722 3.143 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.718 -3.432 2.243 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.477 -4.041 3.897 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.276 -5.135 2.508 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.763 -3.159 0.714 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.316 -4.862 0.976 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.126 -3.573 1.277 1.00 1.83 H new ATOM 616 N GLY A 42 67.548 -7.332 4.059 1.00 0.72 N ATOM 617 CA GLY A 42 68.885 -7.991 4.102 1.00 0.91 C ATOM 618 C GLY A 42 69.073 -8.865 2.861 1.00 0.78 C ATOM 619 O GLY A 42 70.078 -8.789 2.182 1.00 0.84 O ATOM 0 H GLY A 42 67.007 -7.391 4.922 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.671 -7.237 4.149 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.972 -8.599 5.003 1.00 0.91 H new ATOM 623 N LYS A 43 68.117 -9.700 2.560 1.00 0.77 N ATOM 624 CA LYS A 43 68.246 -10.583 1.365 1.00 0.86 C ATOM 625 C LYS A 43 68.527 -9.747 0.113 1.00 0.79 C ATOM 626 O LYS A 43 69.216 -10.180 -0.790 1.00 0.99 O ATOM 627 CB LYS A 43 66.897 -11.291 1.247 1.00 0.95 C ATOM 628 CG LYS A 43 67.111 -12.805 1.278 1.00 1.34 C ATOM 629 CD LYS A 43 66.347 -13.404 2.460 1.00 2.13 C ATOM 630 CE LYS A 43 64.853 -13.449 2.133 1.00 2.65 C ATOM 631 NZ LYS A 43 64.629 -14.802 1.550 1.00 2.98 N ATOM 0 H LYS A 43 67.252 -9.810 3.089 1.00 0.77 H new ATOM 0 HA LYS A 43 69.070 -11.290 1.463 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.243 -10.989 2.065 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.402 -11.002 0.320 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.766 -13.251 0.345 1.00 1.34 H new ATOM 0 HG3 LYS A 43 68.174 -13.031 1.366 1.00 1.34 H new ATOM 0 HD2 LYS A 43 66.714 -14.408 2.672 1.00 2.13 H new ATOM 0 HD3 LYS A 43 66.516 -12.807 3.356 1.00 2.13 H new ATOM 0 HE2 LYS A 43 64.248 -13.299 3.027 1.00 2.65 H new ATOM 0 HE3 LYS A 43 64.579 -12.664 1.428 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 63.625 -14.910 1.299 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.213 -14.913 0.697 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 64.892 -15.528 2.247 1.00 2.98 H new ATOM 645 N VAL A 44 68.000 -8.556 0.050 1.00 0.72 N ATOM 646 CA VAL A 44 68.241 -7.698 -1.145 1.00 0.93 C ATOM 647 C VAL A 44 69.711 -7.276 -1.205 1.00 0.89 C ATOM 648 O VAL A 44 70.387 -7.486 -2.191 1.00 1.06 O ATOM 649 CB VAL A 44 67.344 -6.477 -0.943 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.603 -5.462 -2.056 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.877 -6.912 -0.981 1.00 1.80 C ATOM 0 H VAL A 44 67.413 -8.139 0.773 1.00 0.72 H new ATOM 0 HA VAL A 44 68.020 -8.218 -2.077 1.00 0.93 H new ATOM 0 HB VAL A 44 67.564 -6.020 0.022 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.963 -4.592 -1.911 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.648 -5.152 -2.030 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.383 -5.917 -3.022 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.236 -6.042 -0.837 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.658 -7.369 -1.946 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.691 -7.635 -0.187 1.00 1.80 H new ATOM 661 N MET A 45 70.208 -6.684 -0.155 1.00 0.86 N ATOM 662 CA MET A 45 71.633 -6.247 -0.150 1.00 1.06 C ATOM 663 C MET A 45 72.531 -7.352 -0.712 1.00 1.08 C ATOM 664 O MET A 45 73.345 -7.121 -1.583 1.00 1.14 O ATOM 665 CB MET A 45 71.961 -5.989 1.320 1.00 1.34 C ATOM 666 CG MET A 45 71.879 -4.489 1.608 1.00 1.88 C ATOM 667 SD MET A 45 73.550 -3.806 1.732 1.00 2.45 S ATOM 668 CE MET A 45 73.406 -3.163 3.416 1.00 3.35 C ATOM 0 H MET A 45 69.689 -6.484 0.700 1.00 0.86 H new ATOM 0 HA MET A 45 71.795 -5.363 -0.768 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.264 -6.531 1.959 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.960 -6.360 1.551 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.327 -3.985 0.815 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.334 -4.315 2.536 1.00 1.88 H new ATOM 0 HE1 MET A 45 74.347 -3.313 3.945 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.176 -2.098 3.380 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.608 -3.689 3.939 1.00 3.35 H new ATOM 678 N ARG A 46 72.391 -8.551 -0.218 1.00 1.20 N ATOM 679 CA ARG A 46 73.241 -9.668 -0.723 1.00 1.46 C ATOM 680 C ARG A 46 73.188 -9.727 -2.253 1.00 1.52 C ATOM 681 O ARG A 46 74.118 -10.168 -2.898 1.00 1.73 O ATOM 682 CB ARG A 46 72.637 -10.935 -0.116 1.00 1.74 C ATOM 683 CG ARG A 46 73.756 -11.923 0.220 1.00 1.93 C ATOM 684 CD ARG A 46 73.261 -13.353 -0.006 1.00 2.48 C ATOM 685 NE ARG A 46 73.911 -14.158 1.065 1.00 2.64 N ATOM 686 CZ ARG A 46 73.403 -14.178 2.268 1.00 3.08 C ATOM 687 NH1 ARG A 46 72.507 -13.294 2.613 1.00 3.64 N ATOM 688 NH2 ARG A 46 73.794 -15.080 3.127 1.00 3.41 N ATOM 0 H ARG A 46 71.726 -8.806 0.512 1.00 1.20 H new ATOM 0 HA ARG A 46 74.288 -9.544 -0.447 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.074 -10.687 0.784 1.00 1.74 H new ATOM 0 HB3 ARG A 46 71.936 -11.388 -0.817 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.628 -11.726 -0.403 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.069 -11.795 1.256 1.00 1.93 H new ATOM 0 HD2 ARG A 46 72.175 -13.410 0.061 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.539 -13.715 -0.996 1.00 2.48 H new ATOM 0 HE ARG A 46 74.754 -14.694 0.859 1.00 2.64 H new ATOM 0 HH11 ARG A 46 72.203 -12.587 1.943 1.00 3.64 H new ATOM 0 HH12 ARG A 46 72.110 -13.310 3.553 1.00 3.64 H new ATOM 0 HH21 ARG A 46 74.496 -15.769 2.859 1.00 3.41 H new ATOM 0 HH22 ARG A 46 73.397 -15.095 4.067 1.00 3.41 H new ATOM 702 N MET A 47 72.108 -9.287 -2.841 1.00 1.46 N ATOM 703 CA MET A 47 72.005 -9.324 -4.329 1.00 1.73 C ATOM 704 C MET A 47 72.763 -8.141 -4.941 1.00 1.75 C ATOM 705 O MET A 47 73.096 -8.142 -6.109 1.00 2.01 O ATOM 706 CB MET A 47 70.500 -9.246 -4.632 1.00 1.70 C ATOM 707 CG MET A 47 70.050 -7.785 -4.755 1.00 1.96 C ATOM 708 SD MET A 47 70.014 -7.313 -6.504 1.00 1.94 S ATOM 709 CE MET A 47 68.329 -7.871 -6.860 1.00 1.52 C ATOM 0 H MET A 47 71.295 -8.905 -2.358 1.00 1.46 H new ATOM 0 HA MET A 47 72.447 -10.225 -4.755 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.282 -9.779 -5.558 1.00 1.70 H new ATOM 0 HB3 MET A 47 69.938 -9.740 -3.840 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.062 -7.659 -4.312 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.731 -7.135 -4.205 1.00 1.96 H new ATOM 0 HE1 MET A 47 67.977 -7.401 -7.778 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.322 -8.954 -6.981 1.00 1.52 H new ATOM 0 HE3 MET A 47 67.672 -7.594 -6.035 1.00 1.52 H new ATOM 719 N LEU A 48 73.035 -7.132 -4.161 1.00 1.60 N ATOM 720 CA LEU A 48 73.768 -5.951 -4.697 1.00 1.69 C ATOM 721 C LEU A 48 75.278 -6.165 -4.562 1.00 1.68 C ATOM 722 O LEU A 48 76.071 -5.446 -5.136 1.00 1.99 O ATOM 723 CB LEU A 48 73.314 -4.773 -3.834 1.00 1.73 C ATOM 724 CG LEU A 48 71.796 -4.828 -3.640 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.357 -3.672 -2.740 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.103 -4.708 -4.999 1.00 2.15 C ATOM 0 H LEU A 48 72.781 -7.074 -3.175 1.00 1.60 H new ATOM 0 HA LEU A 48 73.562 -5.782 -5.754 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.815 -4.805 -2.866 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.596 -3.833 -4.308 1.00 1.73 H new ATOM 0 HG LEU A 48 71.522 -5.775 -3.176 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.277 -3.709 -2.601 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.851 -3.757 -1.772 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.630 -2.725 -3.205 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.022 -4.747 -4.861 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.375 -3.761 -5.464 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.417 -5.531 -5.641 1.00 2.15 H new ATOM 738 N GLY A 49 75.680 -7.149 -3.805 1.00 1.63 N ATOM 739 CA GLY A 49 77.137 -7.409 -3.630 1.00 1.87 C ATOM 740 C GLY A 49 77.564 -6.986 -2.224 1.00 1.54 C ATOM 741 O GLY A 49 78.700 -6.622 -1.993 1.00 1.53 O ATOM 0 H GLY A 49 75.062 -7.784 -3.300 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.350 -8.467 -3.784 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.708 -6.857 -4.377 1.00 1.87 H new ATOM 745 N GLN A 50 76.663 -7.032 -1.282 1.00 1.37 N ATOM 746 CA GLN A 50 77.018 -6.632 0.110 1.00 1.17 C ATOM 747 C GLN A 50 76.887 -7.830 1.054 1.00 1.24 C ATOM 748 O GLN A 50 76.328 -8.851 0.705 1.00 1.75 O ATOM 749 CB GLN A 50 76.006 -5.548 0.482 1.00 1.29 C ATOM 750 CG GLN A 50 76.240 -4.310 -0.386 1.00 1.28 C ATOM 751 CD GLN A 50 76.896 -3.214 0.455 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.825 -3.472 1.194 1.00 1.89 O ATOM 753 NE2 GLN A 50 76.448 -1.991 0.375 1.00 1.85 N ATOM 0 H GLN A 50 75.696 -7.329 -1.415 1.00 1.37 H new ATOM 0 HA GLN A 50 78.045 -6.276 0.187 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.991 -5.919 0.339 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.105 -5.290 1.536 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.877 -4.562 -1.234 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.294 -3.954 -0.793 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.668 -1.773 -0.245 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.878 -1.253 0.933 1.00 1.85 H new ATOM 762 N ASN A 51 77.399 -7.711 2.249 1.00 1.18 N ATOM 763 CA ASN A 51 77.303 -8.840 3.219 1.00 1.29 C ATOM 764 C ASN A 51 77.255 -8.297 4.649 1.00 1.07 C ATOM 765 O ASN A 51 78.116 -8.591 5.455 1.00 1.45 O ATOM 766 CB ASN A 51 78.573 -9.664 2.997 1.00 1.96 C ATOM 767 CG ASN A 51 78.298 -11.127 3.351 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.468 -11.407 4.319 1.00 3.07 O flip ATOM 769 ND2 ASN A 51 78.843 -12.025 2.739 1.00 3.29 N flip ATOM 0 H ASN A 51 77.880 -6.881 2.596 1.00 1.18 H new ATOM 0 HA ASN A 51 76.403 -9.438 3.074 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.895 -9.584 1.959 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.384 -9.276 3.613 1.00 1.96 H new ATOM 0 HD21 ASN A 51 79.491 -11.806 1.983 1.00 3.29 H new ATOM 0 HD22 ASN A 51 78.652 -12.997 2.982 1.00 3.29 H new ATOM 776 N PRO A 52 76.244 -7.517 4.910 1.00 1.47 N ATOM 777 CA PRO A 52 76.070 -6.916 6.255 1.00 2.11 C ATOM 778 C PRO A 52 75.638 -7.978 7.270 1.00 1.79 C ATOM 779 O PRO A 52 75.607 -9.157 6.976 1.00 2.07 O ATOM 780 CB PRO A 52 74.965 -5.882 6.045 1.00 2.97 C ATOM 781 CG PRO A 52 74.201 -6.370 4.856 1.00 2.97 C ATOM 782 CD PRO A 52 75.174 -7.125 3.988 1.00 2.03 C ATOM 0 HA PRO A 52 76.988 -6.480 6.649 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.323 -5.806 6.923 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.381 -4.890 5.867 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.378 -7.015 5.164 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.764 -5.535 4.309 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.706 -7.995 3.527 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.554 -6.501 3.179 1.00 2.03 H new ATOM 790 N THR A 53 75.304 -7.567 8.463 1.00 1.42 N ATOM 791 CA THR A 53 74.873 -8.548 9.500 1.00 1.16 C ATOM 792 C THR A 53 73.452 -8.223 9.968 1.00 0.98 C ATOM 793 O THR A 53 72.929 -7.167 9.670 1.00 0.92 O ATOM 794 CB THR A 53 75.872 -8.367 10.646 1.00 1.19 C ATOM 795 OG1 THR A 53 76.096 -6.980 10.859 1.00 1.40 O ATOM 796 CG2 THR A 53 77.192 -9.049 10.287 1.00 1.36 C ATOM 0 H THR A 53 75.311 -6.593 8.765 1.00 1.42 H new ATOM 0 HA THR A 53 74.859 -9.573 9.128 1.00 1.16 H new ATOM 0 HB THR A 53 75.470 -8.816 11.554 1.00 1.19 H new ATOM 0 HG1 THR A 53 75.978 -6.772 11.809 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.902 -8.919 11.104 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.019 -10.112 10.122 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.597 -8.602 9.379 1.00 1.36 H new ATOM 804 N PRO A 54 72.870 -9.145 10.688 1.00 0.99 N ATOM 805 CA PRO A 54 71.491 -8.948 11.201 1.00 1.04 C ATOM 806 C PRO A 54 71.482 -7.877 12.295 1.00 0.93 C ATOM 807 O PRO A 54 70.444 -7.375 12.679 1.00 0.94 O ATOM 808 CB PRO A 54 71.120 -10.316 11.767 1.00 1.19 C ATOM 809 CG PRO A 54 72.428 -10.964 12.089 1.00 1.18 C ATOM 810 CD PRO A 54 73.428 -10.440 11.092 1.00 1.10 C ATOM 0 HA PRO A 54 70.790 -8.608 10.438 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.497 -10.220 12.656 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.555 -10.904 11.043 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.737 -10.728 13.107 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.349 -12.049 12.024 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.417 -10.329 11.537 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.535 -11.113 10.241 1.00 1.10 H new ATOM 818 N GLU A 55 72.633 -7.520 12.794 1.00 0.98 N ATOM 819 CA GLU A 55 72.695 -6.477 13.857 1.00 1.08 C ATOM 820 C GLU A 55 72.674 -5.085 13.222 1.00 0.97 C ATOM 821 O GLU A 55 71.858 -4.250 13.557 1.00 1.01 O ATOM 822 CB GLU A 55 74.021 -6.723 14.578 1.00 1.28 C ATOM 823 CG GLU A 55 74.073 -8.169 15.071 1.00 2.15 C ATOM 824 CD GLU A 55 72.866 -8.445 15.971 1.00 2.57 C ATOM 825 OE1 GLU A 55 71.771 -8.539 15.444 1.00 2.81 O ATOM 826 OE2 GLU A 55 73.060 -8.557 17.170 1.00 3.14 O ATOM 0 H GLU A 55 73.534 -7.906 12.512 1.00 0.98 H new ATOM 0 HA GLU A 55 71.849 -6.528 14.542 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.855 -6.527 13.904 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.123 -6.037 15.419 1.00 1.28 H new ATOM 0 HG2 GLU A 55 74.072 -8.854 14.223 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.998 -8.344 15.621 1.00 2.15 H new ATOM 833 N GLU A 56 73.564 -4.829 12.301 1.00 0.92 N ATOM 834 CA GLU A 56 73.590 -3.493 11.640 1.00 0.94 C ATOM 835 C GLU A 56 72.282 -3.262 10.880 1.00 0.84 C ATOM 836 O GLU A 56 71.860 -2.142 10.674 1.00 0.94 O ATOM 837 CB GLU A 56 74.771 -3.552 10.669 1.00 1.06 C ATOM 838 CG GLU A 56 76.060 -3.193 11.410 1.00 1.60 C ATOM 839 CD GLU A 56 76.649 -4.452 12.050 1.00 1.83 C ATOM 840 OE1 GLU A 56 75.969 -5.050 12.869 1.00 2.50 O ATOM 841 OE2 GLU A 56 77.769 -4.797 11.710 1.00 2.08 O ATOM 0 H GLU A 56 74.273 -5.487 11.978 1.00 0.92 H new ATOM 0 HA GLU A 56 73.694 -2.678 12.356 1.00 0.94 H new ATOM 0 HB2 GLU A 56 74.852 -4.550 10.239 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.610 -2.861 9.842 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.779 -2.753 10.719 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.855 -2.445 12.176 1.00 1.60 H new ATOM 848 N LEU A 57 71.634 -4.318 10.466 1.00 0.73 N ATOM 849 CA LEU A 57 70.351 -4.164 9.724 1.00 0.78 C ATOM 850 C LEU A 57 69.453 -3.148 10.433 1.00 0.80 C ATOM 851 O LEU A 57 69.244 -2.049 9.957 1.00 0.89 O ATOM 852 CB LEU A 57 69.711 -5.553 9.750 1.00 0.85 C ATOM 853 CG LEU A 57 69.401 -6.002 8.321 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.657 -5.869 7.459 1.00 1.30 C ATOM 855 CD2 LEU A 57 68.946 -7.463 8.334 1.00 1.10 C ATOM 0 H LEU A 57 71.939 -5.281 10.610 1.00 0.73 H new ATOM 0 HA LEU A 57 70.501 -3.803 8.707 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.383 -6.265 10.228 1.00 0.85 H new ATOM 0 HB3 LEU A 57 68.796 -5.532 10.342 1.00 0.85 H new ATOM 0 HG LEU A 57 68.609 -5.377 7.908 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.435 -6.189 6.441 1.00 1.30 H new ATOM 0 HD12 LEU A 57 70.983 -4.829 7.449 1.00 1.30 H new ATOM 0 HD13 LEU A 57 71.449 -6.494 7.871 1.00 1.30 H new ATOM 0 HD21 LEU A 57 68.725 -7.784 7.316 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.738 -8.087 8.747 1.00 1.10 H new ATOM 0 HD23 LEU A 57 68.050 -7.560 8.948 1.00 1.10 H new ATOM 867 N GLN A 58 68.922 -3.508 11.569 1.00 0.81 N ATOM 868 CA GLN A 58 68.039 -2.564 12.312 1.00 0.95 C ATOM 869 C GLN A 58 68.811 -1.291 12.669 1.00 0.99 C ATOM 870 O GLN A 58 68.234 -0.250 12.909 1.00 1.13 O ATOM 871 CB GLN A 58 67.632 -3.318 13.578 1.00 1.09 C ATOM 872 CG GLN A 58 66.489 -2.575 14.271 1.00 1.25 C ATOM 873 CD GLN A 58 65.168 -2.904 13.573 1.00 1.41 C ATOM 874 OE1 GLN A 58 64.744 -4.042 13.554 1.00 1.97 O ATOM 875 NE2 GLN A 58 64.495 -1.947 12.993 1.00 1.74 N ATOM 0 H GLN A 58 69.061 -4.415 12.015 1.00 0.81 H new ATOM 0 HA GLN A 58 67.173 -2.257 11.725 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.320 -4.332 13.326 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.484 -3.405 14.252 1.00 1.09 H new ATOM 0 HG2 GLN A 58 66.439 -2.862 15.321 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.670 -1.500 14.243 1.00 1.25 H new ATOM 0 HE21 GLN A 58 64.851 -0.991 13.009 1.00 1.74 H new ATOM 0 HE22 GLN A 58 63.613 -2.155 12.524 1.00 1.74 H new ATOM 884 N GLU A 59 70.114 -1.367 12.706 1.00 0.97 N ATOM 885 CA GLU A 59 70.921 -0.162 13.047 1.00 1.14 C ATOM 886 C GLU A 59 71.123 0.709 11.805 1.00 1.11 C ATOM 887 O GLU A 59 71.400 1.889 11.901 1.00 1.18 O ATOM 888 CB GLU A 59 72.261 -0.710 13.541 1.00 1.23 C ATOM 889 CG GLU A 59 72.761 0.142 14.709 1.00 1.60 C ATOM 890 CD GLU A 59 73.226 1.503 14.185 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.023 1.519 13.261 1.00 2.77 O ATOM 892 OE2 GLU A 59 72.776 2.505 14.716 1.00 2.75 O ATOM 0 H GLU A 59 70.654 -2.211 12.515 1.00 0.97 H new ATOM 0 HA GLU A 59 70.434 0.462 13.796 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.148 -1.747 13.856 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.991 -0.700 12.731 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.966 0.275 15.443 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.582 -0.364 15.217 1.00 1.60 H new ATOM 899 N MET A 60 70.986 0.140 10.638 1.00 1.11 N ATOM 900 CA MET A 60 71.168 0.941 9.393 1.00 1.18 C ATOM 901 C MET A 60 69.927 1.798 9.130 1.00 1.13 C ATOM 902 O MET A 60 70.001 3.009 9.056 1.00 1.25 O ATOM 903 CB MET A 60 71.356 -0.091 8.281 1.00 1.22 C ATOM 904 CG MET A 60 72.849 -0.304 8.028 1.00 1.62 C ATOM 905 SD MET A 60 73.152 -0.401 6.246 1.00 1.82 S ATOM 906 CE MET A 60 72.547 1.252 5.824 1.00 2.02 C ATOM 0 H MET A 60 70.756 -0.843 10.493 1.00 1.11 H new ATOM 0 HA MET A 60 72.015 1.624 9.461 1.00 1.18 H new ATOM 0 HB2 MET A 60 70.886 -1.033 8.562 1.00 1.22 H new ATOM 0 HB3 MET A 60 70.867 0.249 7.368 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.423 0.516 8.461 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.184 -1.220 8.515 1.00 1.62 H new ATOM 0 HE1 MET A 60 72.952 1.552 4.857 1.00 2.02 H new ATOM 0 HE2 MET A 60 71.458 1.239 5.773 1.00 2.02 H new ATOM 0 HE3 MET A 60 72.866 1.962 6.587 1.00 2.02 H new ATOM 916 N ILE A 61 68.787 1.180 8.989 1.00 1.04 N ATOM 917 CA ILE A 61 67.541 1.958 8.732 1.00 1.11 C ATOM 918 C ILE A 61 67.250 2.899 9.904 1.00 1.23 C ATOM 919 O ILE A 61 66.900 4.048 9.718 1.00 1.40 O ATOM 920 CB ILE A 61 66.439 0.907 8.603 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.680 0.070 7.345 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.081 1.602 8.501 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.269 -1.286 7.738 1.00 1.14 C ATOM 0 H ILE A 61 68.664 0.169 9.041 1.00 1.04 H new ATOM 0 HA ILE A 61 67.620 2.580 7.840 1.00 1.11 H new ATOM 0 HB ILE A 61 66.449 0.259 9.479 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.744 -0.071 6.805 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.360 0.593 6.673 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.295 0.853 8.409 1.00 1.36 H new ATOM 0 HG22 ILE A 61 64.910 2.199 9.396 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.069 2.250 7.625 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.440 -1.882 6.842 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.214 -1.135 8.259 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.573 -1.809 8.393 1.00 1.14 H new ATOM 935 N ASP A 62 67.390 2.422 11.110 1.00 1.23 N ATOM 936 CA ASP A 62 67.120 3.288 12.293 1.00 1.43 C ATOM 937 C ASP A 62 67.932 4.582 12.201 1.00 1.48 C ATOM 938 O ASP A 62 67.603 5.579 12.813 1.00 1.67 O ATOM 939 CB ASP A 62 67.565 2.462 13.500 1.00 1.51 C ATOM 940 CG ASP A 62 66.406 1.582 13.973 1.00 1.54 C ATOM 941 OD1 ASP A 62 66.072 0.646 13.264 1.00 2.13 O ATOM 942 OD2 ASP A 62 65.873 1.858 15.034 1.00 1.79 O ATOM 0 H ASP A 62 67.680 1.469 11.328 1.00 1.23 H new ATOM 0 HA ASP A 62 66.071 3.576 12.360 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.421 1.842 13.234 1.00 1.51 H new ATOM 0 HB3 ASP A 62 67.887 3.121 14.306 1.00 1.51 H new ATOM 947 N GLU A 63 68.995 4.575 11.443 1.00 1.41 N ATOM 948 CA GLU A 63 69.828 5.805 11.316 1.00 1.52 C ATOM 949 C GLU A 63 69.323 6.672 10.160 1.00 1.47 C ATOM 950 O GLU A 63 69.109 7.859 10.310 1.00 1.80 O ATOM 951 CB GLU A 63 71.241 5.297 11.029 1.00 1.55 C ATOM 952 CG GLU A 63 72.145 5.598 12.227 1.00 2.11 C ATOM 953 CD GLU A 63 73.599 5.680 11.760 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.829 6.222 10.691 1.00 2.32 O ATOM 955 OE2 GLU A 63 74.460 5.200 12.480 1.00 2.93 O ATOM 0 H GLU A 63 69.322 3.771 10.907 1.00 1.41 H new ATOM 0 HA GLU A 63 69.791 6.423 12.213 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.221 4.225 10.835 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.636 5.775 10.133 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.848 6.537 12.693 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.038 4.819 12.982 1.00 2.11 H new ATOM 962 N VAL A 64 69.131 6.090 9.008 1.00 1.33 N ATOM 963 CA VAL A 64 68.641 6.885 7.845 1.00 1.29 C ATOM 964 C VAL A 64 67.120 7.050 7.923 1.00 1.21 C ATOM 965 O VAL A 64 66.578 8.076 7.563 1.00 1.50 O ATOM 966 CB VAL A 64 69.034 6.070 6.610 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.473 5.572 6.762 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.096 4.868 6.468 1.00 1.31 C ATOM 0 H VAL A 64 69.292 5.100 8.821 1.00 1.33 H new ATOM 0 HA VAL A 64 69.068 7.888 7.820 1.00 1.29 H new ATOM 0 HB VAL A 64 68.957 6.700 5.724 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.752 4.992 5.882 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.144 6.425 6.862 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.549 4.944 7.650 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.377 4.289 5.588 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.173 4.240 7.356 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.070 5.218 6.359 1.00 1.31 H new ATOM 978 N ASP A 65 66.429 6.046 8.388 1.00 1.27 N ATOM 979 CA ASP A 65 64.944 6.144 8.487 1.00 1.38 C ATOM 980 C ASP A 65 64.548 7.311 9.394 1.00 2.07 C ATOM 981 O ASP A 65 65.117 7.513 10.449 1.00 2.61 O ATOM 982 CB ASP A 65 64.497 4.816 9.100 1.00 1.38 C ATOM 983 CG ASP A 65 62.974 4.700 9.003 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.349 5.671 8.611 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.459 3.641 9.323 1.00 2.59 O ATOM 0 H ASP A 65 66.828 5.162 8.704 1.00 1.27 H new ATOM 0 HA ASP A 65 64.479 6.323 7.518 1.00 1.38 H new ATOM 0 HB2 ASP A 65 64.970 3.984 8.578 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.812 4.759 10.142 1.00 1.38 H new ATOM 990 N GLU A 66 63.574 8.082 8.992 1.00 2.65 N ATOM 991 CA GLU A 66 63.140 9.235 9.830 1.00 3.74 C ATOM 992 C GLU A 66 61.938 8.838 10.691 1.00 4.00 C ATOM 993 O GLU A 66 61.381 9.646 11.408 1.00 4.93 O ATOM 994 CB GLU A 66 62.748 10.324 8.832 1.00 4.58 C ATOM 995 CG GLU A 66 63.898 10.555 7.851 1.00 5.25 C ATOM 996 CD GLU A 66 64.920 11.505 8.479 1.00 6.17 C ATOM 997 OE1 GLU A 66 65.517 11.128 9.474 1.00 6.61 O ATOM 998 OE2 GLU A 66 65.088 12.593 7.954 1.00 6.67 O ATOM 0 H GLU A 66 63.060 7.963 8.119 1.00 2.65 H new ATOM 0 HA GLU A 66 63.923 9.569 10.511 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.848 10.030 8.291 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.515 11.249 9.360 1.00 4.58 H new ATOM 0 HG2 GLU A 66 64.373 9.606 7.601 1.00 5.25 H new ATOM 0 HG3 GLU A 66 63.518 10.976 6.920 1.00 5.25 H new ATOM 1005 N ASP A 67 61.533 7.599 10.625 1.00 3.32 N ATOM 1006 CA ASP A 67 60.366 7.151 11.438 1.00 3.69 C ATOM 1007 C ASP A 67 60.777 6.006 12.368 1.00 3.25 C ATOM 1008 O ASP A 67 59.956 5.414 13.039 1.00 3.49 O ATOM 1009 CB ASP A 67 59.333 6.670 10.418 1.00 3.68 C ATOM 1010 CG ASP A 67 59.916 5.508 9.610 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.490 4.619 10.217 1.00 3.83 O ATOM 1012 OD2 ASP A 67 59.777 5.528 8.398 1.00 2.33 O ATOM 0 H ASP A 67 61.959 6.878 10.044 1.00 3.32 H new ATOM 0 HA ASP A 67 59.973 7.947 12.070 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.424 6.352 10.928 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.056 7.487 9.752 1.00 3.68 H new ATOM 1017 N GLY A 68 62.043 5.692 12.412 1.00 2.98 N ATOM 1018 CA GLY A 68 62.506 4.587 13.298 1.00 3.17 C ATOM 1019 C GLY A 68 61.551 3.398 13.173 1.00 2.42 C ATOM 1020 O GLY A 68 61.024 2.908 14.152 1.00 3.05 O ATOM 0 H GLY A 68 62.776 6.153 11.873 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.517 4.286 13.023 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.545 4.928 14.332 1.00 3.17 H new ATOM 1024 N SER A 69 61.326 2.930 11.976 1.00 1.46 N ATOM 1025 CA SER A 69 60.405 1.772 11.788 1.00 1.52 C ATOM 1026 C SER A 69 61.191 0.545 11.314 1.00 1.64 C ATOM 1027 O SER A 69 60.808 -0.581 11.559 1.00 2.49 O ATOM 1028 CB SER A 69 59.416 2.222 10.715 1.00 2.44 C ATOM 1029 OG SER A 69 60.109 2.408 9.488 1.00 2.71 O ATOM 0 H SER A 69 61.740 3.299 11.120 1.00 1.46 H new ATOM 0 HA SER A 69 59.901 1.490 12.712 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.630 1.477 10.593 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.931 3.150 11.017 1.00 2.44 H new ATOM 0 HG SER A 69 60.729 3.162 9.573 1.00 2.71 H new ATOM 1035 N GLY A 70 62.286 0.757 10.637 1.00 1.28 N ATOM 1036 CA GLY A 70 63.095 -0.395 10.149 1.00 1.43 C ATOM 1037 C GLY A 70 62.543 -0.876 8.806 1.00 1.29 C ATOM 1038 O GLY A 70 62.779 -1.993 8.391 1.00 1.59 O ATOM 0 H GLY A 70 62.655 1.678 10.401 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.139 -0.100 10.040 1.00 1.43 H new ATOM 0 HA3 GLY A 70 63.068 -1.206 10.877 1.00 1.43 H new ATOM 1042 N THR A 71 61.809 -0.041 8.123 1.00 0.89 N ATOM 1043 CA THR A 71 61.242 -0.453 6.806 1.00 0.79 C ATOM 1044 C THR A 71 61.870 0.368 5.676 1.00 0.76 C ATOM 1045 O THR A 71 62.108 1.551 5.814 1.00 0.83 O ATOM 1046 CB THR A 71 59.744 -0.161 6.910 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.550 1.229 7.133 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.148 -0.956 8.073 1.00 1.08 C ATOM 0 H THR A 71 61.577 0.907 8.419 1.00 0.89 H new ATOM 0 HA THR A 71 61.440 -1.502 6.583 1.00 0.79 H new ATOM 0 HB THR A 71 59.250 -0.453 5.983 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.673 1.428 8.085 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.081 -0.748 8.147 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.299 -2.022 7.900 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.639 -0.666 9.002 1.00 1.08 H new ATOM 1056 N VAL A 72 62.138 -0.252 4.559 1.00 0.73 N ATOM 1057 CA VAL A 72 62.749 0.494 3.422 1.00 0.77 C ATOM 1058 C VAL A 72 61.884 0.343 2.167 1.00 0.80 C ATOM 1059 O VAL A 72 61.565 -0.753 1.750 1.00 1.00 O ATOM 1060 CB VAL A 72 64.117 -0.151 3.211 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.677 0.271 1.851 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.073 0.304 4.317 1.00 1.13 C ATOM 0 H VAL A 72 61.961 -1.241 4.385 1.00 0.73 H new ATOM 0 HA VAL A 72 62.831 1.562 3.626 1.00 0.77 H new ATOM 0 HB VAL A 72 64.014 -1.236 3.242 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.653 -0.190 1.701 1.00 1.13 H new ATOM 0 HG12 VAL A 72 63.998 -0.052 1.062 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.779 1.356 1.820 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.049 -0.157 4.166 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.175 1.389 4.286 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.676 0.004 5.287 1.00 1.13 H new ATOM 1072 N ASP A 73 61.502 1.435 1.562 1.00 0.77 N ATOM 1073 CA ASP A 73 60.658 1.349 0.335 1.00 0.83 C ATOM 1074 C ASP A 73 61.447 1.830 -0.885 1.00 0.87 C ATOM 1075 O ASP A 73 62.655 1.710 -0.942 1.00 0.87 O ATOM 1076 CB ASP A 73 59.472 2.277 0.606 1.00 0.85 C ATOM 1077 CG ASP A 73 59.972 3.715 0.756 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.174 3.897 0.855 1.00 2.47 O ATOM 1079 OD2 ASP A 73 59.144 4.611 0.770 1.00 2.57 O ATOM 0 H ASP A 73 61.737 2.381 1.863 1.00 0.77 H new ATOM 0 HA ASP A 73 60.339 0.328 0.124 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.753 2.214 -0.211 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.952 1.965 1.512 1.00 0.85 H new ATOM 1084 N PHE A 74 60.774 2.373 -1.861 1.00 0.94 N ATOM 1085 CA PHE A 74 61.487 2.862 -3.076 1.00 0.98 C ATOM 1086 C PHE A 74 62.340 4.084 -2.729 1.00 0.86 C ATOM 1087 O PHE A 74 63.157 4.526 -3.511 1.00 0.83 O ATOM 1088 CB PHE A 74 60.382 3.239 -4.062 1.00 1.12 C ATOM 1089 CG PHE A 74 60.993 3.909 -5.269 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.254 3.508 -5.727 1.00 2.22 C ATOM 1091 CD2 PHE A 74 60.300 4.929 -5.930 1.00 1.97 C ATOM 1092 CE1 PHE A 74 62.821 4.128 -6.847 1.00 3.01 C ATOM 1093 CE2 PHE A 74 60.867 5.550 -7.050 1.00 2.84 C ATOM 1094 CZ PHE A 74 62.128 5.149 -7.508 1.00 3.18 C ATOM 0 H PHE A 74 59.762 2.500 -1.871 1.00 0.94 H new ATOM 0 HA PHE A 74 62.160 2.112 -3.491 1.00 0.98 H new ATOM 0 HB2 PHE A 74 59.832 2.349 -4.366 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.666 3.908 -3.584 1.00 1.12 H new ATOM 0 HD1 PHE A 74 62.789 2.721 -5.217 1.00 2.22 H new ATOM 0 HD2 PHE A 74 59.327 5.238 -5.576 1.00 1.97 H new ATOM 0 HE1 PHE A 74 63.793 3.818 -7.201 1.00 3.01 H new ATOM 0 HE2 PHE A 74 60.332 6.338 -7.560 1.00 2.84 H new ATOM 0 HZ PHE A 74 62.566 5.628 -8.371 1.00 3.18 H new ATOM 1104 N ASP A 75 62.156 4.634 -1.559 1.00 0.83 N ATOM 1105 CA ASP A 75 62.957 5.826 -1.162 1.00 0.76 C ATOM 1106 C ASP A 75 64.100 5.410 -0.234 1.00 0.69 C ATOM 1107 O ASP A 75 65.260 5.518 -0.576 1.00 0.65 O ATOM 1108 CB ASP A 75 61.974 6.737 -0.426 1.00 0.81 C ATOM 1109 CG ASP A 75 60.910 7.238 -1.405 1.00 0.99 C ATOM 1110 OD1 ASP A 75 60.945 6.824 -2.552 1.00 1.57 O ATOM 1111 OD2 ASP A 75 60.078 8.029 -0.990 1.00 1.49 O ATOM 0 H ASP A 75 61.486 4.309 -0.862 1.00 0.83 H new ATOM 0 HA ASP A 75 63.410 6.323 -2.020 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.503 6.194 0.393 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.504 7.581 0.014 1.00 0.81 H new ATOM 1116 N GLU A 76 63.782 4.933 0.938 1.00 0.77 N ATOM 1117 CA GLU A 76 64.852 4.509 1.884 1.00 0.78 C ATOM 1118 C GLU A 76 65.882 3.643 1.155 1.00 0.70 C ATOM 1119 O GLU A 76 67.044 3.617 1.506 1.00 0.70 O ATOM 1120 CB GLU A 76 64.131 3.696 2.961 1.00 0.95 C ATOM 1121 CG GLU A 76 62.964 4.513 3.522 1.00 1.51 C ATOM 1122 CD GLU A 76 63.025 4.508 5.051 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.535 3.546 5.600 1.00 1.72 O ATOM 1124 OE2 GLU A 76 62.558 5.464 5.645 1.00 1.94 O ATOM 0 H GLU A 76 62.828 4.819 1.281 1.00 0.77 H new ATOM 0 HA GLU A 76 65.390 5.356 2.309 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.764 2.760 2.540 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.825 3.436 3.761 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.010 5.536 3.149 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.017 4.093 3.184 1.00 1.51 H new ATOM 1131 N PHE A 77 65.464 2.935 0.141 1.00 0.72 N ATOM 1132 CA PHE A 77 66.423 2.075 -0.610 1.00 0.73 C ATOM 1133 C PHE A 77 67.480 2.942 -1.296 1.00 0.67 C ATOM 1134 O PHE A 77 68.633 2.947 -0.913 1.00 0.69 O ATOM 1135 CB PHE A 77 65.574 1.338 -1.647 1.00 0.84 C ATOM 1136 CG PHE A 77 66.333 0.132 -2.147 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.566 -0.949 -1.289 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.803 0.095 -3.465 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.271 -2.069 -1.750 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.508 -1.024 -3.925 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.741 -2.106 -3.068 1.00 1.46 C ATOM 0 H PHE A 77 64.503 2.915 -0.199 1.00 0.72 H new ATOM 0 HA PHE A 77 66.954 1.382 0.042 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.627 1.028 -1.205 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.336 2.002 -2.478 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.203 -0.920 -0.272 1.00 1.83 H new ATOM 0 HD2 PHE A 77 66.622 0.929 -4.127 1.00 1.32 H new ATOM 0 HE1 PHE A 77 67.452 -2.903 -1.089 1.00 2.03 H new ATOM 0 HE2 PHE A 77 67.872 -1.052 -4.941 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.283 -2.969 -3.424 1.00 1.46 H new ATOM 1151 N LEU A 78 67.099 3.681 -2.302 1.00 0.66 N ATOM 1152 CA LEU A 78 68.089 4.549 -3.001 1.00 0.68 C ATOM 1153 C LEU A 78 68.887 5.357 -1.976 1.00 0.62 C ATOM 1154 O LEU A 78 69.990 5.793 -2.236 1.00 0.64 O ATOM 1155 CB LEU A 78 67.254 5.475 -3.891 1.00 0.77 C ATOM 1156 CG LEU A 78 66.343 4.642 -4.799 1.00 0.96 C ATOM 1157 CD1 LEU A 78 65.807 5.525 -5.929 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.135 3.478 -5.401 1.00 1.41 C ATOM 0 H LEU A 78 66.148 3.721 -2.669 1.00 0.66 H new ATOM 0 HA LEU A 78 68.808 3.974 -3.584 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.654 6.144 -3.274 1.00 0.77 H new ATOM 0 HB3 LEU A 78 67.910 6.102 -4.495 1.00 0.77 H new ATOM 0 HG LEU A 78 65.513 4.249 -4.212 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.159 4.934 -6.576 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.239 6.353 -5.505 1.00 1.55 H new ATOM 0 HD13 LEU A 78 66.641 5.917 -6.511 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.483 2.889 -6.046 1.00 1.41 H new ATOM 0 HD22 LEU A 78 67.967 3.869 -5.986 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.520 2.847 -4.600 1.00 1.41 H new ATOM 1170 N VAL A 79 68.337 5.550 -0.808 1.00 0.59 N ATOM 1171 CA VAL A 79 69.064 6.319 0.239 1.00 0.61 C ATOM 1172 C VAL A 79 69.989 5.384 1.022 1.00 0.63 C ATOM 1173 O VAL A 79 70.943 5.810 1.641 1.00 0.68 O ATOM 1174 CB VAL A 79 67.970 6.880 1.149 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.603 7.766 2.224 1.00 0.73 C ATOM 1176 CG2 VAL A 79 66.993 7.712 0.314 1.00 0.70 C ATOM 0 H VAL A 79 67.416 5.208 -0.535 1.00 0.59 H new ATOM 0 HA VAL A 79 69.687 7.109 -0.180 1.00 0.61 H new ATOM 0 HB VAL A 79 67.436 6.058 1.625 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.823 8.165 2.872 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.301 7.175 2.818 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.137 8.589 1.749 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.212 8.113 0.960 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.529 8.534 -0.161 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.542 7.082 -0.453 1.00 0.70 H new ATOM 1186 N MET A 80 69.712 4.107 0.995 1.00 0.65 N ATOM 1187 CA MET A 80 70.572 3.139 1.732 1.00 0.72 C ATOM 1188 C MET A 80 71.872 2.896 0.962 1.00 0.71 C ATOM 1189 O MET A 80 72.801 2.293 1.465 1.00 0.76 O ATOM 1190 CB MET A 80 69.745 1.856 1.812 1.00 0.80 C ATOM 1191 CG MET A 80 70.397 0.889 2.803 1.00 1.12 C ATOM 1192 SD MET A 80 69.838 -0.798 2.457 1.00 2.17 S ATOM 1193 CE MET A 80 68.462 -0.827 3.633 1.00 2.77 C ATOM 0 H MET A 80 68.926 3.693 0.493 1.00 0.65 H new ATOM 0 HA MET A 80 70.853 3.503 2.720 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.727 2.086 2.128 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.676 1.393 0.828 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.483 0.947 2.724 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.137 1.168 3.824 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.546 -1.708 4.270 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.492 0.071 4.250 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.519 -0.862 3.088 1.00 2.77 H new ATOM 1203 N MET A 81 71.949 3.367 -0.254 1.00 0.69 N ATOM 1204 CA MET A 81 73.198 3.170 -1.052 1.00 0.74 C ATOM 1205 C MET A 81 73.968 4.489 -1.138 1.00 0.75 C ATOM 1206 O MET A 81 75.049 4.555 -1.689 1.00 0.82 O ATOM 1207 CB MET A 81 72.786 2.697 -2.465 1.00 0.73 C ATOM 1208 CG MET A 81 71.261 2.571 -2.611 1.00 0.89 C ATOM 1209 SD MET A 81 70.660 1.224 -1.558 1.00 1.41 S ATOM 1210 CE MET A 81 71.817 -0.046 -2.126 1.00 1.21 C ATOM 0 H MET A 81 71.205 3.878 -0.729 1.00 0.69 H new ATOM 0 HA MET A 81 73.843 2.428 -0.581 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.164 3.401 -3.207 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.251 1.733 -2.674 1.00 0.73 H new ATOM 0 HG2 MET A 81 70.780 3.508 -2.331 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.000 2.377 -3.651 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.429 -1.032 -1.871 1.00 1.21 H new ATOM 0 HE2 MET A 81 71.937 0.028 -3.207 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.783 0.100 -1.643 1.00 1.21 H new ATOM 1220 N VAL A 82 73.424 5.540 -0.587 1.00 0.72 N ATOM 1221 CA VAL A 82 74.125 6.853 -0.626 1.00 0.78 C ATOM 1222 C VAL A 82 74.877 7.077 0.686 1.00 0.81 C ATOM 1223 O VAL A 82 75.788 7.878 0.767 1.00 0.93 O ATOM 1224 CB VAL A 82 73.014 7.889 -0.793 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.631 9.265 -1.047 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.129 7.500 -1.979 1.00 1.36 C ATOM 0 H VAL A 82 72.522 5.545 -0.111 1.00 0.72 H new ATOM 0 HA VAL A 82 74.858 6.913 -1.431 1.00 0.78 H new ATOM 0 HB VAL A 82 72.412 7.924 0.115 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.838 10.003 -1.166 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.261 9.543 -0.202 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.234 9.231 -1.954 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.336 8.238 -2.099 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.732 7.464 -2.886 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.688 6.520 -1.798 1.00 1.36 H new ATOM 1236 N ARG A 83 74.500 6.371 1.718 1.00 0.79 N ATOM 1237 CA ARG A 83 75.186 6.534 3.030 1.00 0.85 C ATOM 1238 C ARG A 83 76.107 5.339 3.295 1.00 0.90 C ATOM 1239 O ARG A 83 76.888 5.338 4.226 1.00 1.00 O ATOM 1240 CB ARG A 83 74.058 6.581 4.060 1.00 0.87 C ATOM 1241 CG ARG A 83 74.438 7.538 5.192 1.00 1.07 C ATOM 1242 CD ARG A 83 73.408 7.431 6.318 1.00 0.92 C ATOM 1243 NE ARG A 83 74.144 7.827 7.550 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.658 8.753 8.332 1.00 1.83 C ATOM 1245 NH1 ARG A 83 72.823 8.433 9.282 1.00 2.49 N ATOM 1246 NH2 ARG A 83 74.007 9.999 8.160 1.00 2.14 N ATOM 0 H ARG A 83 73.744 5.686 1.708 1.00 0.79 H new ATOM 0 HA ARG A 83 75.808 7.428 3.065 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.133 6.910 3.587 1.00 0.87 H new ATOM 0 HB3 ARG A 83 73.874 5.584 4.459 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.431 7.296 5.569 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.480 8.561 4.819 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.557 8.088 6.138 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.017 6.417 6.400 1.00 0.92 H new ATOM 0 HE ARG A 83 75.028 7.375 7.783 1.00 1.62 H new ATOM 0 HH11 ARG A 83 72.550 7.459 9.414 1.00 2.49 H new ATOM 0 HH12 ARG A 83 72.444 9.157 9.893 1.00 2.49 H new ATOM 0 HH21 ARG A 83 74.658 10.248 7.416 1.00 2.14 H new ATOM 0 HH22 ARG A 83 73.628 10.724 8.770 1.00 2.14 H new ATOM 1260 N SER A 84 76.019 4.320 2.482 1.00 0.92 N ATOM 1261 CA SER A 84 76.888 3.126 2.686 1.00 1.01 C ATOM 1262 C SER A 84 77.980 3.078 1.615 1.00 1.06 C ATOM 1263 O SER A 84 79.133 2.817 1.901 1.00 1.38 O ATOM 1264 CB SER A 84 75.951 1.927 2.549 1.00 1.04 C ATOM 1265 OG SER A 84 75.034 1.921 3.636 1.00 1.52 O ATOM 0 H SER A 84 75.383 4.263 1.686 1.00 0.92 H new ATOM 0 HA SER A 84 77.392 3.142 3.653 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.411 1.979 1.603 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.526 1.001 2.538 1.00 1.04 H new ATOM 0 HG SER A 84 74.143 2.173 3.314 1.00 1.52 H new ATOM 1271 N MET A 85 77.628 3.329 0.383 1.00 0.00 N ATOM 1272 CA MET A 85 78.648 3.298 -0.704 1.00 0.00 C ATOM 1273 C MET A 85 79.823 4.215 -0.355 1.00 0.00 C ATOM 1274 O MET A 85 80.963 3.920 -0.654 1.00 0.00 O ATOM 1275 CB MET A 85 77.917 3.814 -1.945 1.00 0.00 C ATOM 1276 CG MET A 85 77.228 2.647 -2.653 1.00 0.00 C ATOM 1277 SD MET A 85 77.587 2.719 -4.426 1.00 0.00 S ATOM 1278 CE MET A 85 76.182 3.755 -4.901 1.00 0.00 C ATOM 0 H MET A 85 76.680 3.554 0.083 1.00 0.00 H new ATOM 0 HA MET A 85 79.059 2.300 -0.856 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.181 4.566 -1.660 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.622 4.298 -2.621 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.575 1.700 -2.239 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.152 2.692 -2.487 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.206 3.930 -5.977 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.252 3.251 -4.636 1.00 0.00 H new ATOM 0 HE3 MET A 85 76.240 4.709 -4.377 1.00 0.00 H new