USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 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 -163:sc= -1.12! USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.00498 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= -0.157 F(o=-0.74,f=-0.16) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 6 LYS NZ :NH3+ -126:sc=-0.000448 (180deg=-0.0275) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -3.64! C(o=-3.6!,f=-5.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 153:sc= 0.186 USER MOD Single : A 37 SER OG : rot 63:sc= 1.23 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.0677 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 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -135:sc= -3.77 (180deg=-8.57!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 51 ASN : amide:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 58 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.21) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -147:sc= -2.79! (180deg=-3.15!) USER MOD Single : A 81 MET CE :methyl -149:sc= -1.04! (180deg=-4.26!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -170:sc= -0.0486 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 70.584 13.179 0.781 1.00 0.88 N ATOM 45 CA TYR A 5 70.978 11.916 0.093 1.00 0.86 C ATOM 46 C TYR A 5 70.371 11.872 -1.311 1.00 0.78 C ATOM 47 O TYR A 5 70.989 11.411 -2.250 1.00 0.79 O ATOM 48 CB TYR A 5 70.409 10.792 0.961 1.00 1.02 C ATOM 49 CG TYR A 5 70.697 11.081 2.414 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.995 10.921 2.916 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.667 11.508 3.262 1.00 1.94 C ATOM 52 CE1 TYR A 5 72.263 11.189 4.263 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.935 11.775 4.609 1.00 2.20 C ATOM 54 CZ TYR A 5 71.234 11.617 5.110 1.00 1.77 C ATOM 55 OH TYR A 5 71.497 11.880 6.439 1.00 2.07 O ATOM 0 HA TYR A 5 72.058 11.829 -0.023 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.334 10.705 0.803 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.851 9.838 0.675 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.789 10.591 2.263 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.666 11.631 2.876 1.00 1.94 H new ATOM 0 HE1 TYR A 5 73.264 11.066 4.649 1.00 1.80 H new ATOM 0 HE2 TYR A 5 69.140 12.103 5.263 1.00 2.20 H new ATOM 0 HH TYR A 5 70.673 12.168 6.885 1.00 2.07 H new ATOM 65 N LYS A 6 69.166 12.350 -1.462 1.00 0.89 N ATOM 66 CA LYS A 6 68.525 12.335 -2.809 1.00 1.01 C ATOM 67 C LYS A 6 69.528 12.802 -3.865 1.00 0.98 C ATOM 68 O LYS A 6 69.593 12.267 -4.954 1.00 1.00 O ATOM 69 CB LYS A 6 67.355 13.315 -2.707 1.00 1.28 C ATOM 70 CG LYS A 6 66.102 12.683 -3.317 1.00 1.60 C ATOM 71 CD LYS A 6 65.860 11.311 -2.682 1.00 2.04 C ATOM 72 CE LYS A 6 64.360 11.009 -2.676 1.00 2.60 C ATOM 73 NZ LYS A 6 64.040 10.623 -4.080 1.00 3.24 N ATOM 0 H LYS A 6 68.599 12.749 -0.714 1.00 0.89 H new ATOM 0 HA LYS A 6 68.191 11.339 -3.100 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.173 13.573 -1.664 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.597 14.242 -3.227 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.239 13.329 -3.152 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.222 12.580 -4.395 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.395 10.541 -3.239 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.249 11.296 -1.664 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.122 10.204 -1.981 1.00 2.60 H new ATOM 0 HE3 LYS A 6 63.783 11.880 -2.365 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.260 11.214 -4.433 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.879 10.763 -4.678 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 63.757 9.623 -4.109 1.00 3.24 H new ATOM 87 N ALA A 7 70.318 13.792 -3.548 1.00 1.07 N ATOM 88 CA ALA A 7 71.322 14.286 -4.532 1.00 1.20 C ATOM 89 C ALA A 7 72.214 13.128 -4.985 1.00 1.08 C ATOM 90 O ALA A 7 72.677 13.089 -6.108 1.00 1.19 O ATOM 91 CB ALA A 7 72.140 15.331 -3.772 1.00 1.36 C ATOM 0 H ALA A 7 70.311 14.279 -2.652 1.00 1.07 H new ATOM 0 HA ALA A 7 70.861 14.706 -5.426 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.904 15.744 -4.430 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.482 16.131 -3.432 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.617 14.863 -2.911 1.00 1.36 H new ATOM 97 N ALA A 8 72.450 12.182 -4.119 1.00 0.95 N ATOM 98 CA ALA A 8 73.304 11.020 -4.495 1.00 0.96 C ATOM 99 C ALA A 8 72.494 10.030 -5.335 1.00 0.90 C ATOM 100 O ALA A 8 72.900 9.634 -6.410 1.00 1.01 O ATOM 101 CB ALA A 8 73.720 10.387 -3.167 1.00 0.98 C ATOM 0 H ALA A 8 72.088 12.163 -3.166 1.00 0.95 H new ATOM 0 HA ALA A 8 74.169 11.313 -5.091 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.354 9.521 -3.359 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.272 11.116 -2.574 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.831 10.072 -2.620 1.00 0.98 H new ATOM 107 N VAL A 9 71.349 9.628 -4.853 1.00 0.83 N ATOM 108 CA VAL A 9 70.510 8.669 -5.625 1.00 0.82 C ATOM 109 C VAL A 9 70.202 9.246 -7.009 1.00 0.97 C ATOM 110 O VAL A 9 69.834 8.534 -7.923 1.00 1.02 O ATOM 111 CB VAL A 9 69.228 8.515 -4.807 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.217 7.679 -5.592 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.549 7.814 -3.484 1.00 0.70 C ATOM 0 H VAL A 9 70.959 9.923 -3.958 1.00 0.83 H new ATOM 0 HA VAL A 9 71.006 7.711 -5.780 1.00 0.82 H new ATOM 0 HB VAL A 9 68.806 9.500 -4.606 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.303 7.570 -5.008 1.00 1.05 H new ATOM 0 HG12 VAL A 9 67.988 8.176 -6.535 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.638 6.694 -5.794 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.635 7.704 -2.900 1.00 0.70 H new ATOM 0 HG22 VAL A 9 69.971 6.830 -3.687 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.269 8.409 -2.922 1.00 0.70 H new ATOM 123 N GLU A 10 70.355 10.533 -7.170 1.00 1.12 N ATOM 124 CA GLU A 10 70.080 11.161 -8.489 1.00 1.32 C ATOM 125 C GLU A 10 71.346 11.110 -9.355 1.00 1.37 C ATOM 126 O GLU A 10 71.282 11.118 -10.568 1.00 1.56 O ATOM 127 CB GLU A 10 69.686 12.605 -8.147 1.00 1.51 C ATOM 128 CG GLU A 10 70.086 13.549 -9.283 1.00 1.80 C ATOM 129 CD GLU A 10 69.080 14.697 -9.373 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.009 14.566 -8.802 1.00 2.28 O ATOM 131 OE2 GLU A 10 69.396 15.688 -10.010 1.00 2.61 O ATOM 0 H GLU A 10 70.660 11.177 -6.440 1.00 1.12 H new ATOM 0 HA GLU A 10 69.297 10.657 -9.056 1.00 1.32 H new ATOM 0 HB2 GLU A 10 68.611 12.665 -7.977 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.173 12.912 -7.221 1.00 1.51 H new ATOM 0 HG2 GLU A 10 71.087 13.942 -9.107 1.00 1.80 H new ATOM 0 HG3 GLU A 10 70.118 13.005 -10.227 1.00 1.80 H new ATOM 138 N GLN A 11 72.492 11.057 -8.735 1.00 1.29 N ATOM 139 CA GLN A 11 73.762 11.005 -9.514 1.00 1.45 C ATOM 140 C GLN A 11 74.076 9.561 -9.914 1.00 1.35 C ATOM 141 O GLN A 11 75.062 9.288 -10.569 1.00 1.53 O ATOM 142 CB GLN A 11 74.831 11.541 -8.562 1.00 1.61 C ATOM 143 CG GLN A 11 75.383 12.862 -9.102 1.00 2.13 C ATOM 144 CD GLN A 11 76.644 13.243 -8.324 1.00 2.44 C ATOM 145 OE1 GLN A 11 77.740 13.148 -8.838 1.00 2.96 O ATOM 146 NE2 GLN A 11 76.534 13.674 -7.098 1.00 2.71 N ATOM 0 H GLN A 11 72.605 11.047 -7.721 1.00 1.29 H new ATOM 0 HA GLN A 11 73.707 11.586 -10.435 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.406 11.691 -7.569 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.637 10.814 -8.457 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.612 12.766 -10.163 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.633 13.648 -9.008 1.00 2.13 H new ATOM 0 HE21 GLN A 11 75.613 13.754 -6.666 1.00 2.71 H new ATOM 0 HE22 GLN A 11 77.369 13.931 -6.571 1.00 2.71 H new ATOM 155 N LEU A 12 73.244 8.634 -9.526 1.00 1.18 N ATOM 156 CA LEU A 12 73.495 7.209 -9.884 1.00 1.21 C ATOM 157 C LEU A 12 73.488 7.038 -11.404 1.00 1.11 C ATOM 158 O LEU A 12 73.412 7.996 -12.147 1.00 1.25 O ATOM 159 CB LEU A 12 72.340 6.428 -9.256 1.00 1.32 C ATOM 160 CG LEU A 12 72.633 6.169 -7.777 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.562 5.241 -7.202 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.005 5.508 -7.636 1.00 1.68 C ATOM 0 H LEU A 12 72.401 8.801 -8.977 1.00 1.18 H new ATOM 0 HA LEU A 12 74.464 6.861 -9.526 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.411 6.989 -9.359 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.201 5.482 -9.780 1.00 1.32 H new ATOM 0 HG LEU A 12 72.627 7.115 -7.235 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.769 5.055 -6.148 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.583 5.709 -7.302 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.570 4.296 -7.745 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.213 5.324 -6.582 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.011 4.562 -8.178 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.770 6.166 -8.047 1.00 1.68 H new ATOM 174 N THR A 13 73.563 5.822 -11.871 1.00 1.05 N ATOM 175 CA THR A 13 73.558 5.586 -13.343 1.00 1.13 C ATOM 176 C THR A 13 72.470 4.573 -13.707 1.00 0.94 C ATOM 177 O THR A 13 72.170 3.673 -12.949 1.00 0.87 O ATOM 178 CB THR A 13 74.946 5.023 -13.658 1.00 1.38 C ATOM 179 OG1 THR A 13 75.236 3.957 -12.764 1.00 1.89 O ATOM 180 CG2 THR A 13 75.994 6.125 -13.501 1.00 1.68 C ATOM 0 H THR A 13 73.628 4.981 -11.297 1.00 1.05 H new ATOM 0 HA THR A 13 73.350 6.494 -13.909 1.00 1.13 H new ATOM 0 HB THR A 13 74.965 4.653 -14.683 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.124 3.594 -12.965 1.00 1.89 H new ATOM 0 HG21 THR A 13 76.982 5.722 -13.726 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.770 6.941 -14.188 1.00 1.68 H new ATOM 0 HG23 THR A 13 75.979 6.498 -12.477 1.00 1.68 H new ATOM 188 N GLU A 14 71.877 4.714 -14.862 1.00 0.94 N ATOM 189 CA GLU A 14 70.809 3.757 -15.273 1.00 0.90 C ATOM 190 C GLU A 14 71.214 2.326 -14.909 1.00 0.82 C ATOM 191 O GLU A 14 70.379 1.470 -14.691 1.00 0.82 O ATOM 192 CB GLU A 14 70.700 3.916 -16.790 1.00 1.05 C ATOM 193 CG GLU A 14 69.280 4.348 -17.158 1.00 2.10 C ATOM 194 CD GLU A 14 69.337 5.380 -18.286 1.00 2.64 C ATOM 195 OE1 GLU A 14 70.417 5.597 -18.809 1.00 2.91 O ATOM 196 OE2 GLU A 14 68.299 5.937 -18.607 1.00 3.31 O ATOM 0 H GLU A 14 72.085 5.449 -15.538 1.00 0.94 H new ATOM 0 HA GLU A 14 69.860 3.954 -14.774 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.419 4.656 -17.141 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.944 2.975 -17.283 1.00 1.05 H new ATOM 0 HG2 GLU A 14 68.695 3.483 -17.471 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.780 4.772 -16.287 1.00 2.10 H new ATOM 203 N GLU A 15 72.490 2.061 -14.839 1.00 0.92 N ATOM 204 CA GLU A 15 72.949 0.687 -14.485 1.00 1.01 C ATOM 205 C GLU A 15 72.647 0.394 -13.013 1.00 0.90 C ATOM 206 O GLU A 15 72.374 -0.730 -12.638 1.00 0.89 O ATOM 207 CB GLU A 15 74.457 0.699 -14.731 1.00 1.23 C ATOM 208 CG GLU A 15 74.731 0.937 -16.216 1.00 1.92 C ATOM 209 CD GLU A 15 76.240 1.007 -16.454 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.861 -0.042 -16.498 1.00 2.90 O ATOM 211 OE2 GLU A 15 76.748 2.108 -16.586 1.00 2.80 O ATOM 0 H GLU A 15 73.235 2.736 -15.012 1.00 0.92 H new ATOM 0 HA GLU A 15 72.447 -0.082 -15.072 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.927 1.481 -14.134 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.895 -0.249 -14.417 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.296 0.133 -16.810 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.258 1.864 -16.539 1.00 1.92 H new ATOM 218 N GLN A 16 72.695 1.395 -12.177 1.00 0.89 N ATOM 219 CA GLN A 16 72.410 1.173 -10.731 1.00 0.87 C ATOM 220 C GLN A 16 70.899 1.156 -10.487 1.00 0.68 C ATOM 221 O GLN A 16 70.373 0.268 -9.845 1.00 0.67 O ATOM 222 CB GLN A 16 73.057 2.357 -10.011 1.00 0.97 C ATOM 223 CG GLN A 16 74.056 1.842 -8.972 1.00 1.77 C ATOM 224 CD GLN A 16 75.478 1.971 -9.522 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.847 3.089 -10.086 1.00 2.42 O flip ATOM 226 NE2 GLN A 16 76.261 1.046 -9.438 1.00 2.61 N flip ATOM 0 H GLN A 16 72.919 2.357 -12.433 1.00 0.89 H new ATOM 0 HA GLN A 16 72.800 0.219 -10.375 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.564 3.000 -10.730 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.292 2.963 -9.526 1.00 0.97 H new ATOM 0 HG2 GLN A 16 73.960 2.410 -8.047 1.00 1.77 H new ATOM 0 HG3 GLN A 16 73.841 0.801 -8.731 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.973 0.172 -8.997 1.00 2.61 H new ATOM 0 HE22 GLN A 16 77.207 1.143 -9.808 1.00 2.61 H new ATOM 235 N LYS A 17 70.194 2.130 -10.996 1.00 0.63 N ATOM 236 CA LYS A 17 68.718 2.166 -10.793 1.00 0.62 C ATOM 237 C LYS A 17 68.059 0.981 -11.504 1.00 0.60 C ATOM 238 O LYS A 17 66.940 0.611 -11.208 1.00 0.66 O ATOM 239 CB LYS A 17 68.263 3.487 -11.414 1.00 0.74 C ATOM 240 CG LYS A 17 69.033 4.643 -10.774 1.00 1.21 C ATOM 241 CD LYS A 17 68.175 5.909 -10.803 1.00 1.31 C ATOM 242 CE LYS A 17 69.070 7.138 -10.632 1.00 1.43 C ATOM 243 NZ LYS A 17 68.382 8.223 -11.384 1.00 2.06 N ATOM 0 H LYS A 17 70.576 2.901 -11.543 1.00 0.63 H new ATOM 0 HA LYS A 17 68.444 2.097 -9.740 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.435 3.473 -12.490 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.192 3.622 -11.264 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.296 4.393 -9.746 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.967 4.812 -11.310 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.631 5.971 -11.746 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.431 5.875 -10.007 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.186 7.399 -9.580 1.00 1.43 H new ATOM 0 HE3 LYS A 17 70.070 6.956 -11.027 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.937 9.100 -11.313 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.292 7.950 -12.383 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.436 8.378 -10.981 1.00 2.06 H new ATOM 257 N ASN A 18 68.746 0.382 -12.438 1.00 0.70 N ATOM 258 CA ASN A 18 68.160 -0.781 -13.164 1.00 0.85 C ATOM 259 C ASN A 18 68.188 -2.026 -12.274 1.00 0.70 C ATOM 260 O ASN A 18 67.228 -2.766 -12.195 1.00 0.66 O ATOM 261 CB ASN A 18 69.055 -0.974 -14.389 1.00 1.11 C ATOM 262 CG ASN A 18 68.530 -0.121 -15.544 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.385 0.288 -15.542 1.00 2.15 O ATOM 264 ND2 ASN A 18 69.323 0.168 -16.540 1.00 2.13 N ATOM 0 H ASN A 18 69.687 0.647 -12.730 1.00 0.70 H new ATOM 0 HA ASN A 18 67.120 -0.614 -13.443 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.081 -0.692 -14.151 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.073 -2.025 -14.678 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.982 0.736 -17.315 1.00 2.13 H new ATOM 0 HD22 ASN A 18 70.284 -0.174 -16.543 1.00 2.13 H new ATOM 271 N GLU A 19 69.282 -2.260 -11.601 1.00 0.76 N ATOM 272 CA GLU A 19 69.370 -3.455 -10.714 1.00 0.79 C ATOM 273 C GLU A 19 68.771 -3.138 -9.341 1.00 0.65 C ATOM 274 O GLU A 19 68.256 -4.005 -8.663 1.00 0.66 O ATOM 275 CB GLU A 19 70.865 -3.753 -10.593 1.00 0.98 C ATOM 276 CG GLU A 19 71.244 -4.879 -11.556 1.00 1.21 C ATOM 277 CD GLU A 19 71.066 -4.401 -12.998 1.00 1.82 C ATOM 278 OE1 GLU A 19 69.944 -4.427 -13.477 1.00 2.53 O ATOM 279 OE2 GLU A 19 72.057 -4.018 -13.600 1.00 2.44 O ATOM 0 H GLU A 19 70.118 -1.676 -11.627 1.00 0.76 H new ATOM 0 HA GLU A 19 68.818 -4.306 -11.112 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.444 -2.858 -10.819 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.107 -4.039 -9.570 1.00 0.98 H new ATOM 0 HG2 GLU A 19 72.277 -5.183 -11.388 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.620 -5.754 -11.372 1.00 1.21 H new ATOM 286 N PHE A 20 68.828 -1.900 -8.929 1.00 0.67 N ATOM 287 CA PHE A 20 68.255 -1.530 -7.604 1.00 0.75 C ATOM 288 C PHE A 20 66.729 -1.575 -7.672 1.00 0.66 C ATOM 289 O PHE A 20 66.089 -2.354 -6.992 1.00 0.79 O ATOM 290 CB PHE A 20 68.739 -0.099 -7.345 1.00 0.97 C ATOM 291 CG PHE A 20 70.225 -0.090 -7.052 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.961 -1.285 -7.061 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.869 1.121 -6.773 1.00 2.24 C ATOM 294 CE1 PHE A 20 72.334 -1.265 -6.789 1.00 3.36 C ATOM 295 CE2 PHE A 20 72.242 1.141 -6.501 1.00 3.29 C ATOM 296 CZ PHE A 20 72.974 -0.052 -6.509 1.00 3.69 C ATOM 0 H PHE A 20 69.246 -1.131 -9.452 1.00 0.67 H new ATOM 0 HA PHE A 20 68.564 -2.210 -6.811 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.529 0.526 -8.213 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.193 0.330 -6.504 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.468 -2.221 -7.278 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.305 2.042 -6.768 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.899 -2.185 -6.795 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.736 2.077 -6.285 1.00 3.29 H new ATOM 0 HZ PHE A 20 74.033 -0.037 -6.299 1.00 3.69 H new ATOM 306 N LYS A 21 66.141 -0.753 -8.495 1.00 0.60 N ATOM 307 CA LYS A 21 64.657 -0.754 -8.618 1.00 0.65 C ATOM 308 C LYS A 21 64.168 -2.166 -8.942 1.00 0.57 C ATOM 309 O LYS A 21 63.335 -2.722 -8.256 1.00 0.57 O ATOM 310 CB LYS A 21 64.360 0.195 -9.778 1.00 0.78 C ATOM 311 CG LYS A 21 62.917 0.689 -9.680 1.00 1.27 C ATOM 312 CD LYS A 21 62.712 1.842 -10.664 1.00 1.58 C ATOM 313 CE LYS A 21 63.279 3.131 -10.065 1.00 2.42 C ATOM 314 NZ LYS A 21 62.834 4.211 -10.990 1.00 2.88 N ATOM 0 H LYS A 21 66.625 -0.079 -9.089 1.00 0.60 H new ATOM 0 HA LYS A 21 64.159 -0.442 -7.700 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.047 1.041 -9.754 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.516 -0.316 -10.728 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.226 -0.123 -9.904 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.701 1.020 -8.664 1.00 1.27 H new ATOM 0 HD2 LYS A 21 63.207 1.620 -11.610 1.00 1.58 H new ATOM 0 HD3 LYS A 21 61.651 1.965 -10.881 1.00 1.58 H new ATOM 0 HE2 LYS A 21 62.903 3.296 -9.055 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.366 3.091 -9.998 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.184 5.128 -10.647 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 63.212 4.030 -11.942 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 61.795 4.229 -11.028 1.00 2.88 H new ATOM 328 N ALA A 22 64.687 -2.753 -9.984 1.00 0.59 N ATOM 329 CA ALA A 22 64.259 -4.131 -10.352 1.00 0.62 C ATOM 330 C ALA A 22 64.236 -5.019 -9.106 1.00 0.50 C ATOM 331 O ALA A 22 63.249 -5.658 -8.805 1.00 0.50 O ATOM 332 CB ALA A 22 65.313 -4.624 -11.344 1.00 0.76 C ATOM 0 H ALA A 22 65.389 -2.338 -10.597 1.00 0.59 H new ATOM 0 HA ALA A 22 63.258 -4.155 -10.782 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.067 -5.637 -11.663 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.332 -3.965 -12.212 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.292 -4.622 -10.865 1.00 0.76 H new ATOM 338 N ALA A 23 65.317 -5.058 -8.374 1.00 0.50 N ATOM 339 CA ALA A 23 65.350 -5.899 -7.144 1.00 0.53 C ATOM 340 C ALA A 23 64.144 -5.575 -6.262 1.00 0.46 C ATOM 341 O ALA A 23 63.506 -6.454 -5.718 1.00 0.52 O ATOM 342 CB ALA A 23 66.652 -5.521 -6.438 1.00 0.64 C ATOM 0 H ALA A 23 66.176 -4.545 -8.574 1.00 0.50 H new ATOM 0 HA ALA A 23 65.307 -6.965 -7.366 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.749 -6.100 -5.520 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.496 -5.735 -7.093 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.640 -4.458 -6.197 1.00 0.64 H new ATOM 348 N PHE A 24 63.822 -4.317 -6.122 1.00 0.47 N ATOM 349 CA PHE A 24 62.651 -3.939 -5.282 1.00 0.57 C ATOM 350 C PHE A 24 61.400 -4.660 -5.787 1.00 0.48 C ATOM 351 O PHE A 24 60.648 -5.230 -5.023 1.00 0.51 O ATOM 352 CB PHE A 24 62.505 -2.426 -5.456 1.00 0.77 C ATOM 353 CG PHE A 24 61.326 -1.934 -4.650 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.023 -2.289 -5.025 1.00 1.54 C ATOM 355 CD2 PHE A 24 61.534 -1.123 -3.528 1.00 1.58 C ATOM 356 CE1 PHE A 24 58.931 -1.834 -4.278 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.441 -0.668 -2.781 1.00 1.72 C ATOM 358 CZ PHE A 24 59.140 -1.024 -3.155 1.00 1.25 C ATOM 0 H PHE A 24 64.319 -3.537 -6.552 1.00 0.47 H new ATOM 0 HA PHE A 24 62.783 -4.213 -4.235 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.416 -1.923 -5.131 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.365 -2.183 -6.509 1.00 0.77 H new ATOM 0 HD1 PHE A 24 59.862 -2.914 -5.891 1.00 1.54 H new ATOM 0 HD2 PHE A 24 62.538 -0.848 -3.239 1.00 1.58 H new ATOM 0 HE1 PHE A 24 57.927 -2.107 -4.567 1.00 1.62 H new ATOM 0 HE2 PHE A 24 60.602 -0.042 -1.916 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.297 -0.674 -2.577 1.00 1.25 H new ATOM 368 N ASP A 25 61.174 -4.639 -7.074 1.00 0.45 N ATOM 369 CA ASP A 25 59.973 -5.323 -7.632 1.00 0.53 C ATOM 370 C ASP A 25 60.151 -6.844 -7.572 1.00 0.52 C ATOM 371 O ASP A 25 59.198 -7.593 -7.662 1.00 0.60 O ATOM 372 CB ASP A 25 59.887 -4.849 -9.082 1.00 0.66 C ATOM 373 CG ASP A 25 58.526 -4.193 -9.326 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.610 -4.477 -8.572 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.424 -3.419 -10.264 1.00 1.52 O ATOM 0 H ASP A 25 61.769 -4.178 -7.762 1.00 0.45 H new ATOM 0 HA ASP A 25 59.068 -5.089 -7.072 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.687 -4.139 -9.292 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.023 -5.692 -9.760 1.00 0.66 H new ATOM 380 N ILE A 26 61.364 -7.305 -7.425 1.00 0.50 N ATOM 381 CA ILE A 26 61.598 -8.777 -7.364 1.00 0.63 C ATOM 382 C ILE A 26 61.764 -9.233 -5.911 1.00 0.70 C ATOM 383 O ILE A 26 61.635 -10.400 -5.599 1.00 0.94 O ATOM 384 CB ILE A 26 62.893 -9.007 -8.143 1.00 0.68 C ATOM 385 CG1 ILE A 26 62.760 -8.416 -9.547 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.165 -10.509 -8.250 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.141 -8.340 -10.200 1.00 0.69 C ATOM 0 H ILE A 26 62.201 -6.728 -7.345 1.00 0.50 H new ATOM 0 HA ILE A 26 60.763 -9.340 -7.780 1.00 0.63 H new ATOM 0 HB ILE A 26 63.718 -8.522 -7.621 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.094 -9.032 -10.151 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.315 -7.422 -9.494 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.088 -10.673 -8.806 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.263 -10.933 -7.251 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.338 -10.992 -8.770 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.047 -7.919 -11.201 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.793 -7.706 -9.599 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.568 -9.341 -10.266 1.00 0.69 H new ATOM 399 N PHE A 27 62.054 -8.325 -5.020 1.00 0.61 N ATOM 400 CA PHE A 27 62.233 -8.716 -3.592 1.00 0.79 C ATOM 401 C PHE A 27 60.981 -8.375 -2.781 1.00 0.76 C ATOM 402 O PHE A 27 60.759 -8.910 -1.712 1.00 1.03 O ATOM 403 CB PHE A 27 63.426 -7.896 -3.103 1.00 0.91 C ATOM 404 CG PHE A 27 64.705 -8.557 -3.554 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.999 -9.863 -3.145 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.597 -7.864 -4.380 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.186 -10.476 -3.562 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.784 -8.476 -4.796 1.00 3.07 C ATOM 409 CZ PHE A 27 67.079 -9.782 -4.388 1.00 3.21 C ATOM 0 H PHE A 27 62.175 -7.332 -5.218 1.00 0.61 H new ATOM 0 HA PHE A 27 62.398 -9.788 -3.479 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.370 -6.881 -3.496 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.407 -7.818 -2.016 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.310 -10.397 -2.508 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.369 -6.857 -4.696 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.413 -11.484 -3.247 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.473 -7.941 -5.432 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.995 -10.254 -4.710 1.00 3.21 H new ATOM 419 N VAL A 28 60.160 -7.490 -3.275 1.00 0.63 N ATOM 420 CA VAL A 28 58.929 -7.125 -2.527 1.00 0.65 C ATOM 421 C VAL A 28 57.902 -8.258 -2.635 1.00 0.65 C ATOM 422 O VAL A 28 56.894 -8.264 -1.958 1.00 0.74 O ATOM 423 CB VAL A 28 58.439 -5.838 -3.204 1.00 0.68 C ATOM 424 CG1 VAL A 28 56.910 -5.774 -3.203 1.00 1.10 C ATOM 425 CG2 VAL A 28 58.995 -4.638 -2.437 1.00 1.47 C ATOM 0 H VAL A 28 60.290 -7.006 -4.163 1.00 0.63 H new ATOM 0 HA VAL A 28 59.098 -6.972 -1.461 1.00 0.65 H new ATOM 0 HB VAL A 28 58.785 -5.825 -4.237 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.584 -4.854 -3.688 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.510 -6.631 -3.745 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.546 -5.792 -2.176 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.654 -3.716 -2.908 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.643 -4.671 -1.406 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.084 -4.671 -2.450 1.00 1.47 H new ATOM 435 N LEU A 29 58.159 -9.218 -3.477 1.00 0.92 N ATOM 436 CA LEU A 29 57.208 -10.356 -3.624 1.00 0.99 C ATOM 437 C LEU A 29 56.879 -10.946 -2.254 1.00 0.99 C ATOM 438 O LEU A 29 55.808 -11.474 -2.032 1.00 1.10 O ATOM 439 CB LEU A 29 57.962 -11.379 -4.463 1.00 1.43 C ATOM 440 CG LEU A 29 57.804 -11.047 -5.948 1.00 1.74 C ATOM 441 CD1 LEU A 29 58.111 -9.566 -6.175 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.775 -11.900 -6.765 1.00 2.45 C ATOM 0 H LEU A 29 58.987 -9.265 -4.071 1.00 0.92 H new ATOM 0 HA LEU A 29 56.266 -10.054 -4.081 1.00 0.99 H new ATOM 0 HB2 LEU A 29 59.018 -11.379 -4.191 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.581 -12.380 -4.262 1.00 1.43 H new ATOM 0 HG LEU A 29 56.782 -11.258 -6.262 1.00 1.74 H new ATOM 0 HD11 LEU A 29 57.999 -9.329 -7.233 1.00 2.11 H new ATOM 0 HD12 LEU A 29 57.420 -8.958 -5.591 1.00 2.11 H new ATOM 0 HD13 LEU A 29 59.134 -9.354 -5.863 1.00 2.11 H new ATOM 0 HD21 LEU A 29 58.664 -11.665 -7.824 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.797 -11.689 -6.452 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.557 -12.956 -6.603 1.00 2.45 H new ATOM 454 N GLY A 30 57.796 -10.859 -1.332 1.00 1.16 N ATOM 455 CA GLY A 30 57.541 -11.416 0.025 1.00 1.58 C ATOM 456 C GLY A 30 57.170 -10.278 0.975 1.00 1.39 C ATOM 457 O GLY A 30 56.881 -10.493 2.135 1.00 1.89 O ATOM 0 H GLY A 30 58.711 -10.426 -1.459 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.735 -12.149 -0.015 1.00 1.58 H new ATOM 0 HA3 GLY A 30 58.427 -11.936 0.390 1.00 1.58 H new ATOM 461 N ALA A 31 57.175 -9.067 0.491 1.00 0.90 N ATOM 462 CA ALA A 31 56.821 -7.914 1.369 1.00 0.95 C ATOM 463 C ALA A 31 55.347 -7.993 1.778 1.00 1.15 C ATOM 464 O ALA A 31 54.790 -9.061 1.925 1.00 1.41 O ATOM 465 CB ALA A 31 57.073 -6.672 0.516 1.00 0.97 C ATOM 0 H ALA A 31 57.408 -8.825 -0.472 1.00 0.90 H new ATOM 0 HA ALA A 31 57.406 -7.902 2.288 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.835 -5.779 1.094 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.121 -6.642 0.218 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.443 -6.707 -0.373 1.00 0.97 H new ATOM 471 N GLU A 32 54.714 -6.867 1.961 1.00 1.35 N ATOM 472 CA GLU A 32 53.278 -6.874 2.357 1.00 1.90 C ATOM 473 C GLU A 32 52.681 -5.475 2.189 1.00 2.05 C ATOM 474 O GLU A 32 51.537 -5.318 1.808 1.00 2.79 O ATOM 475 CB GLU A 32 53.273 -7.288 3.829 1.00 2.37 C ATOM 476 CG GLU A 32 51.830 -7.467 4.305 1.00 2.44 C ATOM 477 CD GLU A 32 51.413 -8.930 4.135 1.00 2.83 C ATOM 478 OE1 GLU A 32 51.682 -9.483 3.083 1.00 3.24 O ATOM 479 OE2 GLU A 32 50.832 -9.470 5.061 1.00 3.29 O ATOM 0 H GLU A 32 55.130 -5.942 1.853 1.00 1.35 H new ATOM 0 HA GLU A 32 52.682 -7.551 1.744 1.00 1.90 H new ATOM 0 HB2 GLU A 32 53.827 -8.218 3.958 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.775 -6.531 4.432 1.00 2.37 H new ATOM 0 HG2 GLU A 32 51.742 -7.172 5.351 1.00 2.44 H new ATOM 0 HG3 GLU A 32 51.165 -6.820 3.734 1.00 2.44 H new ATOM 486 N ASP A 33 53.449 -4.457 2.466 1.00 1.80 N ATOM 487 CA ASP A 33 52.929 -3.067 2.320 1.00 2.11 C ATOM 488 C ASP A 33 53.481 -2.433 1.039 1.00 1.47 C ATOM 489 O ASP A 33 53.165 -1.307 0.706 1.00 1.80 O ATOM 490 CB ASP A 33 53.444 -2.319 3.549 1.00 3.12 C ATOM 491 CG ASP A 33 54.966 -2.193 3.469 1.00 3.68 C ATOM 492 OD1 ASP A 33 55.610 -3.195 3.205 1.00 4.12 O ATOM 493 OD2 ASP A 33 55.462 -1.097 3.673 1.00 4.09 O ATOM 0 H ASP A 33 54.415 -4.527 2.787 1.00 1.80 H new ATOM 0 HA ASP A 33 51.842 -3.037 2.251 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.989 -1.330 3.603 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.160 -2.851 4.457 1.00 3.12 H new ATOM 498 N GLY A 34 54.304 -3.147 0.320 1.00 1.10 N ATOM 499 CA GLY A 34 54.876 -2.586 -0.935 1.00 1.40 C ATOM 500 C GLY A 34 56.243 -1.966 -0.641 1.00 1.17 C ATOM 501 O GLY A 34 56.564 -0.894 -1.116 1.00 1.39 O ATOM 0 H GLY A 34 54.604 -4.095 0.548 1.00 1.10 H new ATOM 0 HA2 GLY A 34 54.975 -3.371 -1.685 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.205 -1.833 -1.348 1.00 1.40 H new ATOM 505 N SER A 35 57.053 -2.629 0.141 1.00 0.84 N ATOM 506 CA SER A 35 58.397 -2.072 0.464 1.00 0.70 C ATOM 507 C SER A 35 59.371 -3.203 0.792 1.00 0.67 C ATOM 508 O SER A 35 59.182 -4.335 0.393 1.00 0.80 O ATOM 509 CB SER A 35 58.177 -1.183 1.687 1.00 0.75 C ATOM 510 OG SER A 35 56.822 -0.756 1.719 1.00 1.04 O ATOM 0 H SER A 35 56.842 -3.530 0.569 1.00 0.84 H new ATOM 0 HA SER A 35 58.824 -1.516 -0.371 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.419 -1.731 2.598 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.842 -0.320 1.648 1.00 0.75 H new ATOM 0 HG SER A 35 56.559 -0.571 2.645 1.00 1.04 H new ATOM 516 N ILE A 36 60.416 -2.905 1.514 1.00 0.69 N ATOM 517 CA ILE A 36 61.404 -3.968 1.861 1.00 0.78 C ATOM 518 C ILE A 36 62.008 -3.684 3.241 1.00 0.71 C ATOM 519 O ILE A 36 62.875 -2.846 3.389 1.00 0.98 O ATOM 520 CB ILE A 36 62.494 -3.910 0.775 1.00 1.00 C ATOM 521 CG1 ILE A 36 61.941 -3.299 -0.523 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.982 -5.327 0.482 1.00 1.36 C ATOM 523 CD1 ILE A 36 62.941 -3.521 -1.661 1.00 1.22 C ATOM 0 H ILE A 36 60.629 -1.976 1.878 1.00 0.69 H new ATOM 0 HA ILE A 36 60.941 -4.954 1.901 1.00 0.78 H new ATOM 0 HB ILE A 36 63.313 -3.288 1.137 1.00 1.00 H new ATOM 0 HG12 ILE A 36 60.983 -3.755 -0.773 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.760 -2.233 -0.387 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.754 -5.294 -0.286 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.393 -5.766 1.391 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.147 -5.934 0.132 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.548 -3.087 -2.581 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.889 -3.044 -1.411 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.099 -4.590 -1.803 1.00 1.22 H new ATOM 535 N SER A 37 61.554 -4.376 4.252 1.00 0.87 N ATOM 536 CA SER A 37 62.102 -4.143 5.621 1.00 0.87 C ATOM 537 C SER A 37 63.451 -4.848 5.777 1.00 0.76 C ATOM 538 O SER A 37 63.760 -5.782 5.066 1.00 0.87 O ATOM 539 CB SER A 37 61.069 -4.750 6.571 1.00 1.12 C ATOM 540 OG SER A 37 61.569 -4.702 7.901 1.00 1.52 O ATOM 0 H SER A 37 60.829 -5.091 4.190 1.00 0.87 H new ATOM 0 HA SER A 37 62.270 -3.085 5.823 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.129 -4.202 6.503 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.858 -5.781 6.287 1.00 1.12 H new ATOM 0 HG SER A 37 61.693 -3.768 8.170 1.00 1.52 H new ATOM 546 N THR A 38 64.258 -4.404 6.700 1.00 0.71 N ATOM 547 CA THR A 38 65.589 -5.046 6.899 1.00 0.65 C ATOM 548 C THR A 38 65.446 -6.570 6.953 1.00 0.70 C ATOM 549 O THR A 38 66.385 -7.298 6.702 1.00 1.37 O ATOM 550 CB THR A 38 66.102 -4.504 8.233 1.00 0.76 C ATOM 551 OG1 THR A 38 67.165 -5.323 8.700 1.00 1.55 O ATOM 552 CG2 THR A 38 64.967 -4.508 9.251 1.00 1.00 C ATOM 0 H THR A 38 64.054 -3.624 7.325 1.00 0.71 H new ATOM 0 HA THR A 38 66.275 -4.825 6.082 1.00 0.65 H new ATOM 0 HB THR A 38 66.464 -3.485 8.098 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.388 -5.075 9.621 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.331 -4.122 10.203 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.153 -3.878 8.891 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.604 -5.527 9.388 1.00 1.00 H new ATOM 560 N LYS A 39 64.280 -7.058 7.278 1.00 0.60 N ATOM 561 CA LYS A 39 64.086 -8.535 7.344 1.00 0.66 C ATOM 562 C LYS A 39 63.929 -9.111 5.934 1.00 0.64 C ATOM 563 O LYS A 39 64.369 -10.208 5.650 1.00 0.87 O ATOM 564 CB LYS A 39 62.803 -8.734 8.153 1.00 0.81 C ATOM 565 CG LYS A 39 63.086 -9.649 9.349 1.00 1.42 C ATOM 566 CD LYS A 39 63.892 -10.866 8.888 1.00 1.58 C ATOM 567 CE LYS A 39 63.180 -12.147 9.330 1.00 2.15 C ATOM 568 NZ LYS A 39 64.002 -12.673 10.455 1.00 2.80 N ATOM 0 H LYS A 39 63.455 -6.500 7.500 1.00 0.60 H new ATOM 0 HA LYS A 39 64.936 -9.042 7.801 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.427 -7.772 8.500 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.028 -9.171 7.523 1.00 0.81 H new ATOM 0 HG2 LYS A 39 63.638 -9.103 10.114 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.149 -9.972 9.802 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.001 -10.854 7.804 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.896 -10.831 9.310 1.00 1.58 H new ATOM 0 HE2 LYS A 39 62.158 -11.941 9.650 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.120 -12.867 8.514 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.578 -13.552 10.813 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.967 -12.866 10.119 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 64.036 -11.969 11.219 1.00 2.80 H new ATOM 582 N GLU A 40 63.310 -8.381 5.046 1.00 0.63 N ATOM 583 CA GLU A 40 63.134 -8.893 3.656 1.00 0.68 C ATOM 584 C GLU A 40 64.042 -8.119 2.693 1.00 0.66 C ATOM 585 O GLU A 40 64.285 -8.539 1.579 1.00 0.83 O ATOM 586 CB GLU A 40 61.643 -8.680 3.336 1.00 0.86 C ATOM 587 CG GLU A 40 61.414 -7.311 2.684 1.00 1.05 C ATOM 588 CD GLU A 40 61.323 -7.482 1.167 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.115 -8.238 0.626 1.00 1.92 O ATOM 590 OE2 GLU A 40 60.464 -6.855 0.570 1.00 2.32 O ATOM 0 H GLU A 40 62.920 -7.455 5.222 1.00 0.63 H new ATOM 0 HA GLU A 40 63.409 -9.943 3.554 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.294 -9.468 2.669 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.056 -8.754 4.252 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.497 -6.862 3.066 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.230 -6.634 2.937 1.00 1.05 H new ATOM 597 N LEU A 41 64.550 -6.994 3.120 1.00 0.73 N ATOM 598 CA LEU A 41 65.447 -6.193 2.238 1.00 0.80 C ATOM 599 C LEU A 41 66.860 -6.782 2.256 1.00 0.72 C ATOM 600 O LEU A 41 67.586 -6.709 1.285 1.00 0.81 O ATOM 601 CB LEU A 41 65.442 -4.786 2.845 1.00 1.10 C ATOM 602 CG LEU A 41 66.347 -3.856 2.028 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.814 -4.153 2.343 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.093 -4.070 0.533 1.00 1.83 C ATOM 0 H LEU A 41 64.382 -6.595 4.043 1.00 0.73 H new ATOM 0 HA LEU A 41 65.116 -6.189 1.199 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.425 -4.393 2.863 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.787 -4.826 3.878 1.00 1.10 H new ATOM 0 HG LEU A 41 66.124 -2.822 2.289 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.453 -3.490 1.760 1.00 1.94 H new ATOM 0 HD12 LEU A 41 67.998 -3.993 3.405 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.038 -5.189 2.088 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.738 -3.407 -0.044 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.310 -5.106 0.272 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.050 -3.849 0.306 1.00 1.83 H new ATOM 616 N GLY A 42 67.257 -7.363 3.356 1.00 0.72 N ATOM 617 CA GLY A 42 68.623 -7.951 3.437 1.00 0.91 C ATOM 618 C GLY A 42 68.892 -8.796 2.191 1.00 0.78 C ATOM 619 O GLY A 42 70.013 -8.907 1.735 1.00 0.84 O ATOM 0 H GLY A 42 66.694 -7.455 4.201 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.367 -7.158 3.519 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.713 -8.566 4.332 1.00 0.91 H new ATOM 623 N LYS A 43 67.874 -9.394 1.635 1.00 0.77 N ATOM 624 CA LYS A 43 68.075 -10.230 0.418 1.00 0.86 C ATOM 625 C LYS A 43 68.543 -9.359 -0.751 1.00 0.79 C ATOM 626 O LYS A 43 69.308 -9.790 -1.590 1.00 0.99 O ATOM 627 CB LYS A 43 66.704 -10.838 0.119 1.00 0.95 C ATOM 628 CG LYS A 43 66.547 -12.152 0.888 1.00 1.34 C ATOM 629 CD LYS A 43 67.712 -13.085 0.551 1.00 2.13 C ATOM 630 CE LYS A 43 67.188 -14.512 0.372 1.00 2.65 C ATOM 631 NZ LYS A 43 68.273 -15.233 -0.348 1.00 2.98 N ATOM 0 H LYS A 43 66.912 -9.340 1.971 1.00 0.77 H new ATOM 0 HA LYS A 43 68.835 -10.997 0.567 1.00 0.86 H new ATOM 0 HB2 LYS A 43 65.916 -10.141 0.404 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.600 -11.016 -0.951 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.522 -11.957 1.960 1.00 1.34 H new ATOM 0 HG3 LYS A 43 65.601 -12.627 0.628 1.00 1.34 H new ATOM 0 HD2 LYS A 43 68.207 -12.751 -0.361 1.00 2.13 H new ATOM 0 HD3 LYS A 43 68.456 -13.057 1.347 1.00 2.13 H new ATOM 0 HE2 LYS A 43 66.975 -14.978 1.334 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.260 -14.523 -0.200 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 67.987 -16.220 -0.508 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 68.449 -14.771 -1.263 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 69.142 -15.212 0.223 1.00 2.98 H new ATOM 645 N VAL A 44 68.090 -8.137 -0.811 1.00 0.72 N ATOM 646 CA VAL A 44 68.510 -7.242 -1.925 1.00 0.93 C ATOM 647 C VAL A 44 69.979 -6.846 -1.758 1.00 0.89 C ATOM 648 O VAL A 44 70.777 -6.993 -2.660 1.00 1.06 O ATOM 649 CB VAL A 44 67.605 -6.016 -1.812 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.965 -5.012 -2.908 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.147 -6.448 -1.977 1.00 1.80 C ATOM 0 H VAL A 44 67.448 -7.720 -0.137 1.00 0.72 H new ATOM 0 HA VAL A 44 68.421 -7.723 -2.899 1.00 0.93 H new ATOM 0 HB VAL A 44 67.741 -5.551 -0.836 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.319 -4.138 -2.827 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.005 -4.707 -2.794 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.828 -5.475 -3.885 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.498 -5.576 -1.897 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.013 -6.912 -2.954 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.889 -7.165 -1.197 1.00 1.80 H new ATOM 661 N MET A 45 70.346 -6.350 -0.611 1.00 0.86 N ATOM 662 CA MET A 45 71.766 -5.950 -0.394 1.00 1.06 C ATOM 663 C MET A 45 72.710 -7.074 -0.832 1.00 1.08 C ATOM 664 O MET A 45 73.663 -6.853 -1.554 1.00 1.14 O ATOM 665 CB MET A 45 71.882 -5.719 1.110 1.00 1.34 C ATOM 666 CG MET A 45 71.760 -4.225 1.411 1.00 1.88 C ATOM 667 SD MET A 45 73.409 -3.526 1.675 1.00 2.45 S ATOM 668 CE MET A 45 72.891 -2.083 2.635 1.00 3.35 C ATOM 0 H MET A 45 69.726 -6.204 0.186 1.00 0.86 H new ATOM 0 HA MET A 45 72.036 -5.065 -0.970 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.101 -6.271 1.634 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.838 -6.096 1.473 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.266 -3.716 0.584 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.142 -4.071 2.295 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.767 -1.496 2.911 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.217 -1.470 2.036 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.376 -2.412 3.538 1.00 3.35 H new ATOM 678 N ARG A 46 72.457 -8.276 -0.393 1.00 1.20 N ATOM 679 CA ARG A 46 73.342 -9.416 -0.771 1.00 1.46 C ATOM 680 C ARG A 46 73.403 -9.572 -2.293 1.00 1.52 C ATOM 681 O ARG A 46 74.366 -10.077 -2.834 1.00 1.73 O ATOM 682 CB ARG A 46 72.692 -10.645 -0.134 1.00 1.74 C ATOM 683 CG ARG A 46 73.731 -11.760 0.004 1.00 1.93 C ATOM 684 CD ARG A 46 73.283 -12.981 -0.805 1.00 2.48 C ATOM 685 NE ARG A 46 74.008 -12.869 -2.102 1.00 2.64 N ATOM 686 CZ ARG A 46 73.851 -13.785 -3.018 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.682 -15.032 -2.672 1.00 3.64 N ATOM 688 NH2 ARG A 46 73.864 -13.454 -4.281 1.00 3.41 N ATOM 0 H ARG A 46 71.673 -8.519 0.213 1.00 1.20 H new ATOM 0 HA ARG A 46 74.367 -9.268 -0.431 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.286 -10.389 0.845 1.00 1.74 H new ATOM 0 HB3 ARG A 46 71.857 -10.986 -0.746 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.702 -11.413 -0.350 1.00 1.93 H new ATOM 0 HG3 ARG A 46 73.852 -12.030 1.053 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.534 -13.909 -0.291 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.203 -12.981 -0.955 1.00 2.48 H new ATOM 0 HE ARG A 46 74.627 -12.077 -2.274 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.673 -15.291 -1.685 1.00 3.64 H new ATOM 0 HH12 ARG A 46 73.559 -15.748 -3.388 1.00 3.64 H new ATOM 0 HH21 ARG A 46 73.997 -12.480 -4.551 1.00 3.41 H new ATOM 0 HH22 ARG A 46 73.741 -14.170 -4.997 1.00 3.41 H new ATOM 702 N MET A 47 72.383 -9.150 -2.990 1.00 1.46 N ATOM 703 CA MET A 47 72.396 -9.288 -4.476 1.00 1.73 C ATOM 704 C MET A 47 73.227 -8.167 -5.112 1.00 1.75 C ATOM 705 O MET A 47 73.610 -8.243 -6.263 1.00 2.01 O ATOM 706 CB MET A 47 70.921 -9.212 -4.901 1.00 1.70 C ATOM 707 CG MET A 47 70.484 -7.754 -5.091 1.00 1.96 C ATOM 708 SD MET A 47 70.268 -7.417 -6.856 1.00 1.94 S ATOM 709 CE MET A 47 68.921 -8.589 -7.147 1.00 1.52 C ATOM 0 H MET A 47 71.546 -8.718 -2.599 1.00 1.46 H new ATOM 0 HA MET A 47 72.853 -10.223 -4.802 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.776 -9.764 -5.830 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.295 -9.689 -4.146 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.552 -7.570 -4.557 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.231 -7.081 -4.670 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.116 -9.147 -8.063 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.854 -9.281 -6.308 1.00 1.52 H new ATOM 0 HE3 MET A 47 67.981 -8.046 -7.246 1.00 1.52 H new ATOM 719 N LEU A 48 73.508 -7.129 -4.373 1.00 1.60 N ATOM 720 CA LEU A 48 74.312 -6.006 -4.937 1.00 1.69 C ATOM 721 C LEU A 48 75.797 -6.200 -4.615 1.00 1.68 C ATOM 722 O LEU A 48 76.659 -5.638 -5.261 1.00 1.99 O ATOM 723 CB LEU A 48 73.778 -4.751 -4.248 1.00 1.73 C ATOM 724 CG LEU A 48 72.251 -4.732 -4.325 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.723 -3.440 -3.699 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.816 -4.803 -5.791 1.00 2.15 C ATOM 0 H LEU A 48 73.216 -7.009 -3.403 1.00 1.60 H new ATOM 0 HA LEU A 48 74.227 -5.945 -6.022 1.00 1.69 H new ATOM 0 HB2 LEU A 48 74.100 -4.731 -3.207 1.00 1.73 H new ATOM 0 HB3 LEU A 48 74.187 -3.860 -4.725 1.00 1.73 H new ATOM 0 HG LEU A 48 71.849 -5.588 -3.783 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.634 -3.427 -3.754 1.00 1.86 H new ATOM 0 HD12 LEU A 48 72.034 -3.388 -2.656 1.00 1.86 H new ATOM 0 HD13 LEU A 48 72.124 -2.583 -4.240 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.728 -4.790 -5.849 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.219 -3.947 -6.332 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.192 -5.723 -6.238 1.00 2.15 H new ATOM 738 N GLY A 49 76.102 -6.987 -3.621 1.00 1.63 N ATOM 739 CA GLY A 49 77.531 -7.211 -3.261 1.00 1.87 C ATOM 740 C GLY A 49 77.768 -6.791 -1.809 1.00 1.54 C ATOM 741 O GLY A 49 78.890 -6.602 -1.384 1.00 1.53 O ATOM 0 H GLY A 49 75.425 -7.484 -3.043 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.789 -8.262 -3.393 1.00 1.87 H new ATOM 0 HA3 GLY A 49 78.178 -6.638 -3.926 1.00 1.87 H new ATOM 745 N GLN A 50 76.721 -6.647 -1.044 1.00 1.37 N ATOM 746 CA GLN A 50 76.890 -6.242 0.382 1.00 1.17 C ATOM 747 C GLN A 50 76.736 -7.462 1.295 1.00 1.24 C ATOM 748 O GLN A 50 76.022 -8.395 0.984 1.00 1.75 O ATOM 749 CB GLN A 50 75.772 -5.231 0.645 1.00 1.29 C ATOM 750 CG GLN A 50 75.814 -4.131 -0.418 1.00 1.28 C ATOM 751 CD GLN A 50 76.615 -2.939 0.109 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.606 -3.111 0.790 1.00 1.89 O ATOM 753 NE2 GLN A 50 76.227 -1.727 -0.181 1.00 1.85 N ATOM 0 H GLN A 50 75.757 -6.792 -1.343 1.00 1.37 H new ATOM 0 HA GLN A 50 77.875 -5.817 0.578 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.804 -5.731 0.627 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.887 -4.796 1.638 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.269 -4.512 -1.332 1.00 1.28 H new ATOM 0 HG3 GLN A 50 74.801 -3.818 -0.672 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.395 -1.581 -0.753 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.756 -0.926 0.164 1.00 1.85 H new ATOM 762 N ASN A 51 77.401 -7.466 2.418 1.00 1.18 N ATOM 763 CA ASN A 51 77.290 -8.632 3.343 1.00 1.29 C ATOM 764 C ASN A 51 77.239 -8.156 4.798 1.00 1.07 C ATOM 765 O ASN A 51 77.944 -8.670 5.643 1.00 1.45 O ATOM 766 CB ASN A 51 78.554 -9.455 3.093 1.00 1.96 C ATOM 767 CG ASN A 51 78.168 -10.906 2.802 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.585 -11.472 1.811 1.00 3.07 O ATOM 769 ND2 ASN A 51 77.382 -11.538 3.631 1.00 3.29 N ATOM 0 H ASN A 51 78.015 -6.716 2.735 1.00 1.18 H new ATOM 0 HA ASN A 51 76.383 -9.211 3.169 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.111 -9.040 2.253 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.209 -9.409 3.963 1.00 1.96 H new ATOM 0 HD21 ASN A 51 77.119 -12.506 3.446 1.00 3.29 H new ATOM 0 HD22 ASN A 51 77.031 -11.064 4.463 1.00 3.29 H new ATOM 776 N PRO A 52 76.399 -7.188 5.039 1.00 1.47 N ATOM 777 CA PRO A 52 76.245 -6.634 6.407 1.00 2.11 C ATOM 778 C PRO A 52 75.512 -7.634 7.306 1.00 1.79 C ATOM 779 O PRO A 52 75.052 -8.665 6.856 1.00 2.07 O ATOM 780 CB PRO A 52 75.409 -5.376 6.192 1.00 2.97 C ATOM 781 CG PRO A 52 74.661 -5.621 4.922 1.00 2.97 C ATOM 782 CD PRO A 52 75.520 -6.523 4.072 1.00 2.03 C ATOM 0 HA PRO A 52 77.196 -6.426 6.897 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.727 -5.208 7.026 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.041 -4.491 6.114 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.697 -6.087 5.126 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.459 -4.682 4.406 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.917 -7.243 3.519 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.091 -5.955 3.338 1.00 2.03 H new ATOM 790 N THR A 53 75.400 -7.341 8.572 1.00 1.42 N ATOM 791 CA THR A 53 74.696 -8.278 9.494 1.00 1.16 C ATOM 792 C THR A 53 73.397 -7.646 9.999 1.00 0.98 C ATOM 793 O THR A 53 73.196 -6.455 9.876 1.00 0.92 O ATOM 794 CB THR A 53 75.670 -8.502 10.652 1.00 1.19 C ATOM 795 OG1 THR A 53 76.476 -7.345 10.820 1.00 1.40 O ATOM 796 CG2 THR A 53 76.561 -9.708 10.345 1.00 1.36 C ATOM 0 H THR A 53 75.765 -6.494 9.008 1.00 1.42 H new ATOM 0 HA THR A 53 74.424 -9.213 9.004 1.00 1.16 H new ATOM 0 HB THR A 53 75.110 -8.691 11.568 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.100 -7.486 11.563 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.255 -9.867 11.170 1.00 1.36 H new ATOM 0 HG22 THR A 53 75.941 -10.595 10.216 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.123 -9.522 9.430 1.00 1.36 H new ATOM 804 N PRO A 54 72.554 -8.475 10.553 1.00 0.99 N ATOM 805 CA PRO A 54 71.254 -8.000 11.087 1.00 1.04 C ATOM 806 C PRO A 54 71.465 -7.202 12.377 1.00 0.93 C ATOM 807 O PRO A 54 70.573 -6.533 12.858 1.00 0.94 O ATOM 808 CB PRO A 54 70.488 -9.289 11.365 1.00 1.19 C ATOM 809 CG PRO A 54 71.543 -10.330 11.565 1.00 1.18 C ATOM 810 CD PRO A 54 72.731 -9.920 10.734 1.00 1.10 C ATOM 0 HA PRO A 54 70.727 -7.336 10.402 1.00 1.04 H new ATOM 0 HB2 PRO A 54 69.858 -9.191 12.249 1.00 1.19 H new ATOM 0 HB3 PRO A 54 69.832 -9.546 10.533 1.00 1.19 H new ATOM 0 HG2 PRO A 54 71.816 -10.405 12.618 1.00 1.18 H new ATOM 0 HG3 PRO A 54 71.179 -11.311 11.260 1.00 1.18 H new ATOM 0 HD2 PRO A 54 73.670 -10.147 11.240 1.00 1.10 H new ATOM 0 HD3 PRO A 54 72.749 -10.443 9.778 1.00 1.10 H new ATOM 818 N GLU A 55 72.640 -7.268 12.939 1.00 0.98 N ATOM 819 CA GLU A 55 72.908 -6.514 14.198 1.00 1.08 C ATOM 820 C GLU A 55 73.277 -5.063 13.875 1.00 0.97 C ATOM 821 O GLU A 55 72.981 -4.156 14.627 1.00 1.01 O ATOM 822 CB GLU A 55 74.088 -7.237 14.850 1.00 1.28 C ATOM 823 CG GLU A 55 73.576 -8.453 15.623 1.00 2.15 C ATOM 824 CD GLU A 55 73.960 -8.318 17.099 1.00 2.57 C ATOM 825 OE1 GLU A 55 74.838 -7.523 17.393 1.00 3.14 O ATOM 826 OE2 GLU A 55 73.369 -9.013 17.910 1.00 2.81 O ATOM 0 H GLU A 55 73.426 -7.811 12.582 1.00 0.98 H new ATOM 0 HA GLU A 55 72.038 -6.482 14.855 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.802 -7.551 14.088 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.616 -6.561 15.523 1.00 1.28 H new ATOM 0 HG2 GLU A 55 72.493 -8.531 15.524 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.001 -9.367 15.208 1.00 2.15 H new ATOM 833 N GLU A 56 73.918 -4.836 12.762 1.00 0.92 N ATOM 834 CA GLU A 56 74.303 -3.443 12.393 1.00 0.94 C ATOM 835 C GLU A 56 73.185 -2.783 11.580 1.00 0.84 C ATOM 836 O GLU A 56 73.187 -1.588 11.362 1.00 0.94 O ATOM 837 CB GLU A 56 75.567 -3.591 11.546 1.00 1.06 C ATOM 838 CG GLU A 56 76.010 -2.214 11.048 1.00 1.60 C ATOM 839 CD GLU A 56 77.427 -2.307 10.477 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.937 -3.412 10.389 1.00 2.50 O ATOM 841 OE2 GLU A 56 77.976 -1.272 10.139 1.00 2.08 O ATOM 0 H GLU A 56 74.192 -5.554 12.092 1.00 0.92 H new ATOM 0 HA GLU A 56 74.471 -2.816 13.268 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.361 -4.049 12.135 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.376 -4.251 10.700 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.322 -1.854 10.283 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.983 -1.494 11.866 1.00 1.60 H new ATOM 848 N LEU A 57 72.231 -3.554 11.132 1.00 0.73 N ATOM 849 CA LEU A 57 71.113 -2.971 10.335 1.00 0.78 C ATOM 850 C LEU A 57 70.125 -2.251 11.255 1.00 0.80 C ATOM 851 O LEU A 57 69.855 -1.077 11.096 1.00 0.89 O ATOM 852 CB LEU A 57 70.443 -4.168 9.661 1.00 0.85 C ATOM 853 CG LEU A 57 70.783 -4.170 8.170 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.782 -5.608 7.649 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.737 -3.352 7.408 1.00 1.10 C ATOM 0 H LEU A 57 72.177 -4.561 11.283 1.00 0.73 H new ATOM 0 HA LEU A 57 71.462 -2.236 9.610 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.781 -5.095 10.123 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.363 -4.119 9.798 1.00 0.85 H new ATOM 0 HG LEU A 57 71.769 -3.730 8.021 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.024 -5.610 6.586 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.525 -6.192 8.192 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.796 -6.048 7.797 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.978 -3.353 6.345 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.751 -3.793 7.557 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.736 -2.327 7.779 1.00 1.10 H new ATOM 867 N GLN A 58 69.580 -2.947 12.215 1.00 0.81 N ATOM 868 CA GLN A 58 68.607 -2.303 13.144 1.00 0.95 C ATOM 869 C GLN A 58 69.109 -0.918 13.566 1.00 0.99 C ATOM 870 O GLN A 58 68.352 0.028 13.646 1.00 1.13 O ATOM 871 CB GLN A 58 68.533 -3.238 14.352 1.00 1.09 C ATOM 872 CG GLN A 58 67.457 -2.739 15.317 1.00 1.25 C ATOM 873 CD GLN A 58 66.095 -2.767 14.621 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.426 -3.781 14.607 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.653 -1.687 14.036 1.00 1.74 N ATOM 0 H GLN A 58 69.766 -3.933 12.397 1.00 0.81 H new ATOM 0 HA GLN A 58 67.631 -2.157 12.681 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.303 -4.253 14.027 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.499 -3.276 14.856 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.435 -3.365 16.209 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.689 -1.726 15.645 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.214 -0.835 14.047 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.747 -1.695 13.568 1.00 1.74 H new ATOM 884 N GLU A 59 70.378 -0.794 13.841 1.00 0.97 N ATOM 885 CA GLU A 59 70.924 0.529 14.262 1.00 1.14 C ATOM 886 C GLU A 59 71.167 1.418 13.039 1.00 1.11 C ATOM 887 O GLU A 59 71.081 2.628 13.113 1.00 1.18 O ATOM 888 CB GLU A 59 72.244 0.208 14.963 1.00 1.23 C ATOM 889 CG GLU A 59 72.029 0.201 16.477 1.00 1.60 C ATOM 890 CD GLU A 59 73.208 0.895 17.163 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.286 0.891 16.591 1.00 2.77 O ATOM 892 OE2 GLU A 59 73.013 1.417 18.248 1.00 2.75 O ATOM 0 H GLU A 59 71.061 -1.550 13.793 1.00 0.97 H new ATOM 0 HA GLU A 59 70.237 1.069 14.913 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.617 -0.762 14.633 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.999 0.947 14.696 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.098 0.711 16.725 1.00 1.60 H new ATOM 0 HG3 GLU A 59 71.937 -0.824 16.837 1.00 1.60 H new ATOM 899 N MET A 60 71.470 0.828 11.915 1.00 1.11 N ATOM 900 CA MET A 60 71.719 1.641 10.689 1.00 1.18 C ATOM 901 C MET A 60 70.425 2.324 10.238 1.00 1.13 C ATOM 902 O MET A 60 70.428 3.459 9.804 1.00 1.25 O ATOM 903 CB MET A 60 72.192 0.637 9.639 1.00 1.22 C ATOM 904 CG MET A 60 72.131 1.281 8.253 1.00 1.62 C ATOM 905 SD MET A 60 73.201 2.741 8.219 1.00 1.82 S ATOM 906 CE MET A 60 74.028 2.379 6.649 1.00 2.02 C ATOM 0 H MET A 60 71.556 -0.181 11.792 1.00 1.11 H new ATOM 0 HA MET A 60 72.452 2.430 10.856 1.00 1.18 H new ATOM 0 HB2 MET A 60 73.211 0.318 9.859 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.566 -0.255 9.665 1.00 1.22 H new ATOM 0 HG2 MET A 60 72.449 0.566 7.494 1.00 1.62 H new ATOM 0 HG3 MET A 60 71.105 1.563 8.016 1.00 1.62 H new ATOM 0 HE1 MET A 60 74.747 3.167 6.426 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.548 1.424 6.723 1.00 2.02 H new ATOM 0 HE3 MET A 60 73.287 2.328 5.851 1.00 2.02 H new ATOM 916 N ILE A 61 69.318 1.640 10.338 1.00 1.04 N ATOM 917 CA ILE A 61 68.022 2.245 9.917 1.00 1.11 C ATOM 918 C ILE A 61 67.643 3.385 10.875 1.00 1.23 C ATOM 919 O ILE A 61 67.318 4.477 10.456 1.00 1.40 O ATOM 920 CB ILE A 61 67.016 1.078 9.976 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.759 0.568 8.556 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.685 1.526 10.595 1.00 1.36 C ATOM 923 CD1 ILE A 61 66.894 -0.955 8.526 1.00 1.14 C ATOM 0 H ILE A 61 69.255 0.686 10.694 1.00 1.04 H new ATOM 0 HA ILE A 61 68.053 2.688 8.922 1.00 1.11 H new ATOM 0 HB ILE A 61 67.438 0.288 10.597 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.762 0.861 8.228 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.468 1.020 7.862 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.995 0.683 10.624 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.859 1.888 11.609 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.255 2.326 9.993 1.00 1.36 H new ATOM 0 HD11 ILE A 61 66.711 -1.317 7.514 1.00 1.14 H new ATOM 0 HD12 ILE A 61 67.900 -1.237 8.836 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.167 -1.398 9.207 1.00 1.14 H new ATOM 935 N ASP A 62 67.681 3.136 12.155 1.00 1.23 N ATOM 936 CA ASP A 62 67.320 4.201 13.135 1.00 1.43 C ATOM 937 C ASP A 62 67.986 5.528 12.753 1.00 1.48 C ATOM 938 O ASP A 62 67.497 6.592 13.076 1.00 1.67 O ATOM 939 CB ASP A 62 67.855 3.701 14.477 1.00 1.51 C ATOM 940 CG ASP A 62 66.945 2.593 15.010 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.859 2.439 14.475 1.00 2.13 O ATOM 942 OD2 ASP A 62 67.349 1.918 15.942 1.00 1.79 O ATOM 0 H ASP A 62 67.946 2.241 12.566 1.00 1.23 H new ATOM 0 HA ASP A 62 66.246 4.385 13.165 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.871 3.325 14.358 1.00 1.51 H new ATOM 0 HB3 ASP A 62 67.901 4.523 15.191 1.00 1.51 H new ATOM 947 N GLU A 63 69.097 5.474 12.071 1.00 1.41 N ATOM 948 CA GLU A 63 69.789 6.733 11.675 1.00 1.52 C ATOM 949 C GLU A 63 69.254 7.231 10.328 1.00 1.47 C ATOM 950 O GLU A 63 68.702 8.308 10.229 1.00 1.80 O ATOM 951 CB GLU A 63 71.267 6.346 11.568 1.00 1.55 C ATOM 952 CG GLU A 63 72.010 7.371 10.711 1.00 2.11 C ATOM 953 CD GLU A 63 71.705 8.781 11.221 1.00 2.26 C ATOM 954 OE1 GLU A 63 70.728 9.354 10.769 1.00 2.93 O ATOM 955 OE2 GLU A 63 72.455 9.264 12.054 1.00 2.32 O ATOM 0 H GLU A 63 69.555 4.613 11.771 1.00 1.41 H new ATOM 0 HA GLU A 63 69.630 7.541 12.389 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.713 6.298 12.562 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.362 5.353 11.128 1.00 1.55 H new ATOM 0 HG2 GLU A 63 73.083 7.183 10.749 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.707 7.277 9.668 1.00 2.11 H new ATOM 962 N VAL A 64 69.415 6.455 9.291 1.00 1.33 N ATOM 963 CA VAL A 64 68.917 6.889 7.953 1.00 1.29 C ATOM 964 C VAL A 64 67.386 6.929 7.948 1.00 1.21 C ATOM 965 O VAL A 64 66.780 7.809 7.368 1.00 1.50 O ATOM 966 CB VAL A 64 69.434 5.832 6.973 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.897 5.512 7.288 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.600 4.556 7.106 1.00 1.31 C ATOM 0 H VAL A 64 69.868 5.542 9.311 1.00 1.33 H new ATOM 0 HA VAL A 64 69.261 7.889 7.688 1.00 1.29 H new ATOM 0 HB VAL A 64 69.354 6.217 5.956 1.00 1.40 H new ATOM 0 HG11 VAL A 64 71.263 4.760 6.590 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.496 6.418 7.193 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.975 5.131 8.306 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.970 3.805 6.408 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.678 4.174 8.124 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.557 4.778 6.881 1.00 1.31 H new ATOM 978 N ASP A 65 66.757 5.982 8.589 1.00 1.27 N ATOM 979 CA ASP A 65 65.266 5.963 8.620 1.00 1.38 C ATOM 980 C ASP A 65 64.736 7.170 9.399 1.00 2.07 C ATOM 981 O ASP A 65 65.297 7.570 10.400 1.00 2.61 O ATOM 982 CB ASP A 65 64.904 4.661 9.335 1.00 1.38 C ATOM 983 CG ASP A 65 63.417 4.364 9.139 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.791 5.066 8.361 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.928 3.440 9.768 1.00 2.59 O ATOM 0 H ASP A 65 67.211 5.220 9.093 1.00 1.27 H new ATOM 0 HA ASP A 65 64.831 6.016 7.622 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.504 3.840 8.942 1.00 1.38 H new ATOM 0 HB3 ASP A 65 65.132 4.743 10.398 1.00 1.38 H new ATOM 990 N GLU A 66 63.661 7.753 8.946 1.00 2.65 N ATOM 991 CA GLU A 66 63.096 8.935 9.660 1.00 3.74 C ATOM 992 C GLU A 66 62.139 8.480 10.764 1.00 4.00 C ATOM 993 O GLU A 66 61.975 9.142 11.768 1.00 4.93 O ATOM 994 CB GLU A 66 62.342 9.720 8.587 1.00 4.58 C ATOM 995 CG GLU A 66 63.343 10.372 7.631 1.00 5.25 C ATOM 996 CD GLU A 66 63.463 9.527 6.362 1.00 6.17 C ATOM 997 OE1 GLU A 66 62.980 8.406 6.371 1.00 6.67 O ATOM 998 OE2 GLU A 66 64.038 10.014 5.402 1.00 6.61 O ATOM 0 H GLU A 66 63.149 7.463 8.113 1.00 2.65 H new ATOM 0 HA GLU A 66 63.869 9.536 10.139 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.677 9.055 8.036 1.00 4.58 H new ATOM 0 HB3 GLU A 66 61.717 10.483 9.052 1.00 4.58 H new ATOM 0 HG2 GLU A 66 63.017 11.381 7.379 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.316 10.463 8.113 1.00 5.25 H new ATOM 1005 N ASP A 67 61.503 7.354 10.584 1.00 3.32 N ATOM 1006 CA ASP A 67 60.555 6.861 11.624 1.00 3.69 C ATOM 1007 C ASP A 67 61.133 5.630 12.327 1.00 3.25 C ATOM 1008 O ASP A 67 60.490 5.019 13.158 1.00 3.49 O ATOM 1009 CB ASP A 67 59.283 6.495 10.859 1.00 3.68 C ATOM 1010 CG ASP A 67 59.577 5.338 9.902 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.728 4.942 9.818 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.645 4.867 9.268 1.00 3.83 O ATOM 0 H ASP A 67 61.599 6.755 9.764 1.00 3.32 H new ATOM 0 HA ASP A 67 60.365 7.606 12.396 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.495 6.212 11.557 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.920 7.359 10.302 1.00 3.68 H new ATOM 1017 N GLY A 68 62.341 5.260 12.000 1.00 2.98 N ATOM 1018 CA GLY A 68 62.957 4.070 12.651 1.00 3.17 C ATOM 1019 C GLY A 68 61.940 2.927 12.696 1.00 2.42 C ATOM 1020 O GLY A 68 61.792 2.256 13.698 1.00 3.05 O ATOM 0 H GLY A 68 62.927 5.730 11.311 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.844 3.759 12.099 1.00 3.17 H new ATOM 0 HA3 GLY A 68 63.281 4.322 13.661 1.00 3.17 H new ATOM 1024 N SER A 69 61.239 2.700 11.619 1.00 1.46 N ATOM 1025 CA SER A 69 60.231 1.600 11.603 1.00 1.52 C ATOM 1026 C SER A 69 60.885 0.290 11.152 1.00 1.64 C ATOM 1027 O SER A 69 60.385 -0.786 11.412 1.00 2.49 O ATOM 1028 CB SER A 69 59.174 2.046 10.593 1.00 2.44 C ATOM 1029 OG SER A 69 59.813 2.690 9.499 1.00 2.71 O ATOM 0 H SER A 69 61.320 3.228 10.750 1.00 1.46 H new ATOM 0 HA SER A 69 59.802 1.418 12.589 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.604 1.186 10.241 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.465 2.725 11.067 1.00 2.44 H new ATOM 0 HG SER A 69 59.153 3.212 8.996 1.00 2.71 H new ATOM 1035 N GLY A 70 62.002 0.373 10.481 1.00 1.28 N ATOM 1036 CA GLY A 70 62.686 -0.867 10.018 1.00 1.43 C ATOM 1037 C GLY A 70 62.239 -1.201 8.592 1.00 1.29 C ATOM 1038 O GLY A 70 62.590 -2.228 8.047 1.00 1.59 O ATOM 0 H GLY A 70 62.470 1.245 10.234 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.767 -0.730 10.048 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.451 -1.695 10.687 1.00 1.43 H new ATOM 1042 N THR A 71 61.467 -0.342 7.984 1.00 0.89 N ATOM 1043 CA THR A 71 61.001 -0.616 6.596 1.00 0.79 C ATOM 1044 C THR A 71 61.776 0.246 5.596 1.00 0.76 C ATOM 1045 O THR A 71 62.180 1.352 5.897 1.00 0.83 O ATOM 1046 CB THR A 71 59.518 -0.241 6.591 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.371 1.106 7.018 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.751 -1.164 7.539 1.00 1.08 C ATOM 0 H THR A 71 61.140 0.536 8.388 1.00 0.89 H new ATOM 0 HA THR A 71 61.159 -1.655 6.308 1.00 0.79 H new ATOM 0 HB THR A 71 59.120 -0.350 5.582 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.422 1.349 7.014 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.695 -0.895 7.534 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.864 -2.197 7.211 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.147 -1.059 8.549 1.00 1.08 H new ATOM 1056 N VAL A 72 61.984 -0.251 4.408 1.00 0.73 N ATOM 1057 CA VAL A 72 62.731 0.538 3.388 1.00 0.77 C ATOM 1058 C VAL A 72 62.090 0.355 2.009 1.00 0.80 C ATOM 1059 O VAL A 72 62.068 -0.731 1.464 1.00 1.00 O ATOM 1060 CB VAL A 72 64.147 -0.036 3.404 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.978 0.617 2.298 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.796 0.247 4.761 1.00 1.13 C ATOM 0 H VAL A 72 61.669 -1.171 4.099 1.00 0.73 H new ATOM 0 HA VAL A 72 62.724 1.607 3.602 1.00 0.77 H new ATOM 0 HB VAL A 72 64.103 -1.112 3.237 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.988 0.206 2.311 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.517 0.417 1.331 1.00 1.13 H new ATOM 0 HG13 VAL A 72 65.022 1.693 2.463 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.806 -0.162 4.774 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.838 1.324 4.927 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.206 -0.219 5.551 1.00 1.13 H new ATOM 1072 N ASP A 73 61.563 1.407 1.444 1.00 0.77 N ATOM 1073 CA ASP A 73 60.920 1.288 0.104 1.00 0.83 C ATOM 1074 C ASP A 73 61.887 1.744 -0.995 1.00 0.87 C ATOM 1075 O ASP A 73 63.088 1.604 -0.875 1.00 0.87 O ATOM 1076 CB ASP A 73 59.705 2.215 0.165 1.00 0.85 C ATOM 1077 CG ASP A 73 58.598 1.666 -0.738 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.778 1.691 -1.945 1.00 2.57 O ATOM 1079 OD2 ASP A 73 57.590 1.230 -0.207 1.00 2.47 O ATOM 0 H ASP A 73 61.550 2.342 1.851 1.00 0.77 H new ATOM 0 HA ASP A 73 60.640 0.260 -0.128 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.346 2.294 1.191 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.984 3.219 -0.154 1.00 0.85 H new ATOM 1084 N PHE A 74 61.371 2.284 -2.064 1.00 0.94 N ATOM 1085 CA PHE A 74 62.255 2.746 -3.173 1.00 0.98 C ATOM 1086 C PHE A 74 63.049 3.984 -2.739 1.00 0.86 C ATOM 1087 O PHE A 74 63.912 4.459 -3.452 1.00 0.83 O ATOM 1088 CB PHE A 74 61.299 3.087 -4.320 1.00 1.12 C ATOM 1089 CG PHE A 74 61.995 3.980 -5.322 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.999 3.458 -6.147 1.00 1.97 C ATOM 1091 CD2 PHE A 74 61.635 5.328 -5.425 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.642 4.286 -7.075 1.00 2.84 C ATOM 1093 CE2 PHE A 74 62.278 6.156 -6.353 1.00 3.01 C ATOM 1094 CZ PHE A 74 63.281 5.635 -7.178 1.00 3.18 C ATOM 0 H PHE A 74 60.373 2.426 -2.219 1.00 0.94 H new ATOM 0 HA PHE A 74 62.987 1.992 -3.464 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.962 2.172 -4.808 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.412 3.586 -3.930 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.277 2.417 -6.067 1.00 1.97 H new ATOM 0 HD2 PHE A 74 60.861 5.730 -4.788 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.417 3.884 -7.711 1.00 2.84 H new ATOM 0 HE2 PHE A 74 62.000 7.197 -6.432 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.777 6.273 -7.894 1.00 3.18 H new ATOM 1104 N ASP A 75 62.763 4.512 -1.581 1.00 0.83 N ATOM 1105 CA ASP A 75 63.501 5.720 -1.111 1.00 0.76 C ATOM 1106 C ASP A 75 64.534 5.334 -0.049 1.00 0.69 C ATOM 1107 O ASP A 75 65.726 5.447 -0.257 1.00 0.65 O ATOM 1108 CB ASP A 75 62.429 6.628 -0.509 1.00 0.81 C ATOM 1109 CG ASP A 75 62.974 8.052 -0.386 1.00 0.99 C ATOM 1110 OD1 ASP A 75 64.155 8.236 -0.633 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.203 8.934 -0.048 1.00 1.57 O ATOM 0 H ASP A 75 62.052 4.161 -0.940 1.00 0.83 H new ATOM 0 HA ASP A 75 64.046 6.209 -1.918 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.538 6.622 -1.137 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.131 6.256 0.471 1.00 0.81 H new ATOM 1116 N GLU A 76 64.085 4.882 1.090 1.00 0.77 N ATOM 1117 CA GLU A 76 65.039 4.492 2.167 1.00 0.78 C ATOM 1118 C GLU A 76 66.160 3.618 1.597 1.00 0.70 C ATOM 1119 O GLU A 76 67.285 3.662 2.055 1.00 0.70 O ATOM 1120 CB GLU A 76 64.201 3.700 3.171 1.00 0.95 C ATOM 1121 CG GLU A 76 62.967 4.517 3.563 1.00 1.51 C ATOM 1122 CD GLU A 76 62.448 4.039 4.920 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.250 3.924 5.833 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.257 3.798 5.025 1.00 1.72 O ATOM 0 H GLU A 76 63.098 4.766 1.321 1.00 0.77 H new ATOM 0 HA GLU A 76 65.517 5.358 2.626 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.897 2.748 2.736 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.795 3.471 4.056 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.219 5.576 3.611 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.190 4.408 2.806 1.00 1.51 H new ATOM 1131 N PHE A 77 65.865 2.822 0.606 1.00 0.72 N ATOM 1132 CA PHE A 77 66.920 1.948 0.018 1.00 0.73 C ATOM 1133 C PHE A 77 67.952 2.795 -0.730 1.00 0.67 C ATOM 1134 O PHE A 77 69.097 2.888 -0.332 1.00 0.69 O ATOM 1135 CB PHE A 77 66.179 1.022 -0.946 1.00 0.84 C ATOM 1136 CG PHE A 77 67.075 -0.133 -1.326 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.853 -0.768 -0.350 1.00 1.32 C ATOM 1138 CD2 PHE A 77 67.128 -0.568 -2.656 1.00 1.83 C ATOM 1139 CE1 PHE A 77 68.685 -1.838 -0.704 1.00 1.48 C ATOM 1140 CE2 PHE A 77 67.959 -1.638 -3.009 1.00 2.03 C ATOM 1141 CZ PHE A 77 68.738 -2.272 -2.033 1.00 1.46 C ATOM 0 H PHE A 77 64.942 2.739 0.179 1.00 0.72 H new ATOM 0 HA PHE A 77 67.464 1.388 0.779 1.00 0.73 H new ATOM 0 HB2 PHE A 77 65.267 0.650 -0.480 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.880 1.573 -1.838 1.00 0.84 H new ATOM 0 HD1 PHE A 77 67.812 -0.433 0.676 1.00 1.32 H new ATOM 0 HD2 PHE A 77 66.528 -0.078 -3.409 1.00 1.83 H new ATOM 0 HE1 PHE A 77 69.285 -2.328 0.049 1.00 1.48 H new ATOM 0 HE2 PHE A 77 67.999 -1.975 -4.034 1.00 2.03 H new ATOM 0 HZ PHE A 77 69.380 -3.096 -2.306 1.00 1.46 H new ATOM 1151 N LEU A 78 67.560 3.416 -1.808 1.00 0.66 N ATOM 1152 CA LEU A 78 68.526 4.256 -2.571 1.00 0.68 C ATOM 1153 C LEU A 78 69.272 5.187 -1.613 1.00 0.62 C ATOM 1154 O LEU A 78 70.456 5.418 -1.752 1.00 0.64 O ATOM 1155 CB LEU A 78 67.670 5.060 -3.552 1.00 0.77 C ATOM 1156 CG LEU A 78 66.869 4.105 -4.441 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.263 4.882 -5.609 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.796 3.012 -4.983 1.00 1.41 C ATOM 0 H LEU A 78 66.616 3.379 -2.193 1.00 0.66 H new ATOM 0 HA LEU A 78 69.278 3.661 -3.090 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.993 5.717 -3.005 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.306 5.697 -4.167 1.00 0.77 H new ATOM 0 HG LEU A 78 66.071 3.648 -3.855 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.693 4.202 -6.242 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.603 5.660 -5.225 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.061 5.339 -6.194 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.226 2.332 -5.616 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.594 3.469 -5.568 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.229 2.456 -4.151 1.00 1.41 H new ATOM 1170 N VAL A 79 68.590 5.715 -0.634 1.00 0.59 N ATOM 1171 CA VAL A 79 69.263 6.621 0.339 1.00 0.61 C ATOM 1172 C VAL A 79 70.133 5.798 1.292 1.00 0.63 C ATOM 1173 O VAL A 79 71.084 6.292 1.866 1.00 0.68 O ATOM 1174 CB VAL A 79 68.126 7.302 1.099 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.707 8.274 2.128 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.246 8.073 0.113 1.00 0.70 C ATOM 0 H VAL A 79 67.596 5.558 -0.466 1.00 0.59 H new ATOM 0 HA VAL A 79 69.914 7.348 -0.146 1.00 0.61 H new ATOM 0 HB VAL A 79 67.529 6.547 1.610 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.895 8.759 2.669 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.336 7.727 2.831 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.305 9.029 1.618 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.434 8.560 0.654 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.846 8.827 -0.397 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.831 7.382 -0.621 1.00 0.70 H new ATOM 1186 N MET A 80 69.813 4.544 1.460 1.00 0.65 N ATOM 1187 CA MET A 80 70.619 3.684 2.372 1.00 0.72 C ATOM 1188 C MET A 80 72.038 3.517 1.825 1.00 0.71 C ATOM 1189 O MET A 80 73.009 3.724 2.525 1.00 0.76 O ATOM 1190 CB MET A 80 69.890 2.339 2.396 1.00 0.80 C ATOM 1191 CG MET A 80 69.552 1.966 3.840 1.00 1.12 C ATOM 1192 SD MET A 80 69.811 0.189 4.080 1.00 2.17 S ATOM 1193 CE MET A 80 68.163 -0.198 4.717 1.00 2.77 C ATOM 0 H MET A 80 69.028 4.078 1.005 1.00 0.65 H new ATOM 0 HA MET A 80 70.713 4.114 3.369 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.978 2.397 1.802 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.515 1.567 1.947 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.178 2.532 4.529 1.00 1.12 H new ATOM 0 HG3 MET A 80 68.517 2.227 4.062 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.234 -1.008 5.443 1.00 2.77 H new ATOM 0 HE2 MET A 80 67.742 0.685 5.198 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.518 -0.505 3.894 1.00 2.77 H new ATOM 1203 N MET A 81 72.170 3.144 0.579 1.00 0.69 N ATOM 1204 CA MET A 81 73.539 2.969 0.009 1.00 0.74 C ATOM 1205 C MET A 81 74.237 4.324 -0.111 1.00 0.75 C ATOM 1206 O MET A 81 75.438 4.425 0.045 1.00 0.82 O ATOM 1207 CB MET A 81 73.346 2.331 -1.367 1.00 0.73 C ATOM 1208 CG MET A 81 72.201 3.018 -2.116 1.00 0.89 C ATOM 1209 SD MET A 81 70.828 1.853 -2.325 1.00 1.41 S ATOM 1210 CE MET A 81 71.802 0.443 -2.906 1.00 1.21 C ATOM 0 H MET A 81 71.400 2.955 -0.062 1.00 0.69 H new ATOM 0 HA MET A 81 74.165 2.344 0.646 1.00 0.74 H new ATOM 0 HB2 MET A 81 74.267 2.411 -1.945 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.131 1.268 -1.256 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.866 3.896 -1.563 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.547 3.367 -3.089 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.201 -0.158 -3.588 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.689 0.803 -3.426 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.103 -0.167 -2.054 1.00 1.21 H new ATOM 1220 N VAL A 82 73.503 5.371 -0.371 1.00 0.72 N ATOM 1221 CA VAL A 82 74.149 6.710 -0.478 1.00 0.78 C ATOM 1222 C VAL A 82 75.115 6.893 0.695 1.00 0.81 C ATOM 1223 O VAL A 82 76.157 7.504 0.568 1.00 0.93 O ATOM 1224 CB VAL A 82 72.998 7.718 -0.403 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.536 9.089 0.015 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.335 7.833 -1.779 1.00 1.36 C ATOM 0 H VAL A 82 72.493 5.359 -0.513 1.00 0.72 H new ATOM 0 HA VAL A 82 74.722 6.835 -1.397 1.00 0.78 H new ATOM 0 HB VAL A 82 72.268 7.378 0.332 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.713 9.802 0.067 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.011 9.011 0.993 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.268 9.431 -0.717 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.515 8.550 -1.729 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.069 8.172 -2.510 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.948 6.859 -2.079 1.00 1.36 H new ATOM 1236 N ARG A 83 74.775 6.350 1.831 1.00 0.79 N ATOM 1237 CA ARG A 83 75.668 6.467 3.017 1.00 0.85 C ATOM 1238 C ARG A 83 76.505 5.192 3.157 1.00 0.90 C ATOM 1239 O ARG A 83 77.509 5.164 3.839 1.00 1.00 O ATOM 1240 CB ARG A 83 74.724 6.621 4.210 1.00 0.87 C ATOM 1241 CG ARG A 83 74.176 8.048 4.250 1.00 1.07 C ATOM 1242 CD ARG A 83 73.374 8.253 5.538 1.00 0.92 C ATOM 1243 NE ARG A 83 74.358 8.784 6.521 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.939 9.362 7.613 1.00 1.83 C ATOM 1245 NH1 ARG A 83 73.633 10.632 7.603 1.00 2.14 N ATOM 1246 NH2 ARG A 83 73.828 8.672 8.716 1.00 2.49 N ATOM 0 H ARG A 83 73.913 5.828 1.989 1.00 0.79 H new ATOM 0 HA ARG A 83 76.361 7.305 2.939 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.904 5.908 4.132 1.00 0.87 H new ATOM 0 HB3 ARG A 83 75.253 6.398 5.136 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.996 8.765 4.202 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.542 8.230 3.382 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.552 8.952 5.385 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.936 7.317 5.884 1.00 0.92 H new ATOM 0 HE ARG A 83 75.358 8.696 6.341 1.00 1.62 H new ATOM 0 HH11 ARG A 83 73.722 11.171 6.742 1.00 2.14 H new ATOM 0 HH12 ARG A 83 73.305 11.084 8.456 1.00 2.14 H new ATOM 0 HH21 ARG A 83 74.069 7.681 8.724 1.00 2.49 H new ATOM 0 HH22 ARG A 83 73.500 9.124 9.570 1.00 2.49 H new ATOM 1260 N SER A 84 76.092 4.136 2.508 1.00 0.92 N ATOM 1261 CA SER A 84 76.852 2.856 2.592 1.00 1.01 C ATOM 1262 C SER A 84 77.872 2.771 1.452 1.00 1.06 C ATOM 1263 O SER A 84 78.847 2.052 1.531 1.00 1.38 O ATOM 1264 CB SER A 84 75.794 1.761 2.446 1.00 1.04 C ATOM 1265 OG SER A 84 76.223 0.597 3.139 1.00 1.52 O ATOM 0 H SER A 84 75.258 4.105 1.921 1.00 0.92 H new ATOM 0 HA SER A 84 77.409 2.765 3.524 1.00 1.01 H new ATOM 0 HB2 SER A 84 74.840 2.105 2.846 1.00 1.04 H new ATOM 0 HB3 SER A 84 75.634 1.532 1.392 1.00 1.04 H new ATOM 0 HG SER A 84 75.546 -0.106 3.048 1.00 1.52 H new ATOM 1271 N MET A 85 77.651 3.500 0.394 1.00 0.00 N ATOM 1272 CA MET A 85 78.605 3.461 -0.752 1.00 0.00 C ATOM 1273 C MET A 85 80.048 3.495 -0.240 1.00 0.00 C ATOM 1274 O MET A 85 80.645 2.470 0.024 1.00 0.00 O ATOM 1275 CB MET A 85 78.293 4.715 -1.570 1.00 0.00 C ATOM 1276 CG MET A 85 76.985 4.513 -2.336 1.00 0.00 C ATOM 1277 SD MET A 85 77.267 4.804 -4.100 1.00 0.00 S ATOM 1278 CE MET A 85 75.792 3.953 -4.711 1.00 0.00 C ATOM 0 H MET A 85 76.851 4.121 0.272 1.00 0.00 H new ATOM 0 HA MET A 85 78.502 2.553 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 85 78.211 5.580 -0.912 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.106 4.920 -2.266 1.00 0.00 H new ATOM 0 HG2 MET A 85 76.612 3.501 -2.179 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.223 5.196 -1.961 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.852 3.854 -5.795 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.730 2.963 -4.259 1.00 0.00 H new ATOM 0 HE3 MET A 85 74.905 4.529 -4.448 1.00 0.00 H new