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 45 MET CE :methyl -178:sc= -0.333 (180deg=-0.292) USER MOD Set 1.2: A 80 MET CE :methyl -168:sc= -1.46 (180deg=-1.7) USER MOD Set 2.1: A 69 SER OG : rot -51:sc= 1.49! USER MOD Set 2.2: A 71 THR OG1 : rot -71:sc= 0.692 USER MOD Set 3.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= -2.68! USER MOD Set 4.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= -1.22 USER MOD Set 5.2: A 16 GLN : amide:sc= -1.35 K(o=-2.6,f=-1.7) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -0.104 (180deg=-1.2) USER MOD Single : A 11 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.023) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc=-0.00841 (180deg=-0.587) USER MOD Single : A 18 ASN : amide:sc= -3.93! C(o=-3.9!,f=-4.7!) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -0.253 (180deg=-1.76!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.146 USER MOD Single : A 37 SER OG : rot 180:sc= 0.116 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -129:sc= -7.79! (180deg=-9.5!) USER MOD Single : A 50 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.7!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.985 (180deg=-2.18!) USER MOD Single : A 85 MET CE :methyl 166:sc= 0 (180deg=-0.342) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 69.908 12.693 1.148 1.00 0.88 N ATOM 45 CA TYR A 5 70.568 11.576 0.415 1.00 0.86 C ATOM 46 C TYR A 5 70.090 11.544 -1.039 1.00 0.78 C ATOM 47 O TYR A 5 70.826 11.187 -1.937 1.00 0.79 O ATOM 48 CB TYR A 5 70.133 10.307 1.150 1.00 1.02 C ATOM 49 CG TYR A 5 70.385 10.471 2.630 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.665 10.243 3.152 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.340 10.849 3.480 1.00 1.94 C ATOM 52 CE1 TYR A 5 71.897 10.393 4.523 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.573 11.000 4.853 1.00 2.20 C ATOM 54 CZ TYR A 5 70.852 10.771 5.375 1.00 1.77 C ATOM 55 OH TYR A 5 71.082 10.919 6.727 1.00 2.07 O ATOM 0 HA TYR A 5 71.653 11.681 0.391 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.076 10.114 0.970 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.684 9.447 0.770 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.472 9.952 2.496 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.353 11.024 3.077 1.00 1.94 H new ATOM 0 HE1 TYR A 5 72.884 10.217 4.925 1.00 1.80 H new ATOM 0 HE2 TYR A 5 68.766 11.293 5.509 1.00 2.20 H new ATOM 0 HH TYR A 5 70.251 11.186 7.173 1.00 2.07 H new ATOM 65 N LYS A 6 68.862 11.915 -1.278 1.00 0.89 N ATOM 66 CA LYS A 6 68.339 11.904 -2.674 1.00 1.01 C ATOM 67 C LYS A 6 69.348 12.563 -3.620 1.00 0.98 C ATOM 68 O LYS A 6 69.506 12.156 -4.753 1.00 1.00 O ATOM 69 CB LYS A 6 67.043 12.715 -2.620 1.00 1.28 C ATOM 70 CG LYS A 6 65.938 11.960 -3.362 1.00 1.60 C ATOM 71 CD LYS A 6 66.357 11.741 -4.816 1.00 2.04 C ATOM 72 CE LYS A 6 65.374 10.783 -5.493 1.00 2.60 C ATOM 73 NZ LYS A 6 64.032 11.392 -5.274 1.00 3.24 N ATOM 0 H LYS A 6 68.199 12.225 -0.568 1.00 0.89 H new ATOM 0 HA LYS A 6 68.169 10.893 -3.044 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.750 12.884 -1.584 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.195 13.695 -3.072 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.750 11.001 -2.878 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.007 12.525 -3.322 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.377 12.693 -5.347 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.366 11.332 -4.857 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.592 10.679 -6.556 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.431 9.786 -5.057 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.376 11.059 -6.009 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 63.673 11.114 -4.338 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.109 12.428 -5.322 1.00 3.24 H new ATOM 87 N ALA A 7 70.032 13.577 -3.163 1.00 1.07 N ATOM 88 CA ALA A 7 71.029 14.258 -4.037 1.00 1.20 C ATOM 89 C ALA A 7 72.055 13.244 -4.552 1.00 1.08 C ATOM 90 O ALA A 7 72.551 13.355 -5.657 1.00 1.19 O ATOM 91 CB ALA A 7 71.702 15.295 -3.139 1.00 1.36 C ATOM 0 H ALA A 7 69.943 13.963 -2.223 1.00 1.07 H new ATOM 0 HA ALA A 7 70.568 14.717 -4.911 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.452 15.840 -3.712 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.953 15.993 -2.765 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.182 14.792 -2.299 1.00 1.36 H new ATOM 97 N ALA A 8 72.375 12.256 -3.763 1.00 0.95 N ATOM 98 CA ALA A 8 73.363 11.235 -4.213 1.00 0.96 C ATOM 99 C ALA A 8 72.668 10.206 -5.108 1.00 0.90 C ATOM 100 O ALA A 8 73.193 9.794 -6.123 1.00 1.01 O ATOM 101 CB ALA A 8 73.871 10.577 -2.931 1.00 0.98 C ATOM 0 H ALA A 8 71.996 12.111 -2.827 1.00 0.95 H new ATOM 0 HA ALA A 8 74.179 11.669 -4.791 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.605 9.811 -3.181 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.335 11.330 -2.295 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.036 10.119 -2.401 1.00 0.98 H new ATOM 107 N VAL A 9 71.487 9.793 -4.737 1.00 0.83 N ATOM 108 CA VAL A 9 70.750 8.796 -5.562 1.00 0.82 C ATOM 109 C VAL A 9 70.265 9.443 -6.862 1.00 0.97 C ATOM 110 O VAL A 9 70.250 8.824 -7.907 1.00 1.02 O ATOM 111 CB VAL A 9 69.563 8.374 -4.696 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.590 7.542 -5.532 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.070 7.541 -3.516 1.00 0.70 C ATOM 0 H VAL A 9 71.000 10.104 -3.896 1.00 0.83 H new ATOM 0 HA VAL A 9 71.373 7.947 -5.844 1.00 0.82 H new ATOM 0 HB VAL A 9 69.049 9.260 -4.323 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.744 7.242 -4.914 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.232 8.136 -6.373 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.099 6.654 -5.906 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.227 7.238 -2.896 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.583 6.655 -3.890 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.762 8.137 -2.921 1.00 0.70 H new ATOM 123 N GLU A 10 69.871 10.686 -6.806 1.00 1.12 N ATOM 124 CA GLU A 10 69.390 11.372 -8.039 1.00 1.32 C ATOM 125 C GLU A 10 70.546 11.542 -9.031 1.00 1.37 C ATOM 126 O GLU A 10 70.350 11.919 -10.169 1.00 1.56 O ATOM 127 CB GLU A 10 68.877 12.734 -7.561 1.00 1.51 C ATOM 128 CG GLU A 10 70.056 13.668 -7.279 1.00 1.80 C ATOM 129 CD GLU A 10 69.535 15.080 -7.006 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.363 15.207 -6.693 1.00 2.28 O ATOM 131 OE2 GLU A 10 70.317 16.010 -7.114 1.00 2.61 O ATOM 0 H GLU A 10 69.861 11.256 -5.960 1.00 1.12 H new ATOM 0 HA GLU A 10 68.613 10.807 -8.554 1.00 1.32 H new ATOM 0 HB2 GLU A 10 68.227 13.173 -8.318 1.00 1.51 H new ATOM 0 HB3 GLU A 10 68.277 12.610 -6.659 1.00 1.51 H new ATOM 0 HG2 GLU A 10 70.623 13.306 -6.421 1.00 1.80 H new ATOM 0 HG3 GLU A 10 70.737 13.678 -8.130 1.00 1.80 H new ATOM 138 N GLN A 11 71.748 11.267 -8.604 1.00 1.29 N ATOM 139 CA GLN A 11 72.918 11.413 -9.518 1.00 1.45 C ATOM 140 C GLN A 11 73.464 10.036 -9.906 1.00 1.35 C ATOM 141 O GLN A 11 74.497 9.922 -10.534 1.00 1.53 O ATOM 142 CB GLN A 11 73.957 12.193 -8.709 1.00 1.61 C ATOM 143 CG GLN A 11 73.961 13.656 -9.155 1.00 2.13 C ATOM 144 CD GLN A 11 74.209 14.558 -7.944 1.00 2.44 C ATOM 145 OE1 GLN A 11 73.665 15.641 -7.858 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.014 14.155 -7.001 1.00 2.71 N ATOM 0 H GLN A 11 71.971 10.947 -7.661 1.00 1.29 H new ATOM 0 HA GLN A 11 72.656 11.922 -10.445 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.729 12.127 -7.645 1.00 1.61 H new ATOM 0 HB3 GLN A 11 74.946 11.756 -8.851 1.00 1.61 H new ATOM 0 HG2 GLN A 11 74.735 13.816 -9.906 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.008 13.908 -9.621 1.00 2.13 H new ATOM 0 HE21 GLN A 11 75.470 13.246 -7.074 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.188 14.749 -6.190 1.00 2.71 H new ATOM 155 N LEU A 12 72.778 8.989 -9.537 1.00 1.18 N ATOM 156 CA LEU A 12 73.260 7.622 -9.886 1.00 1.21 C ATOM 157 C LEU A 12 73.216 7.418 -11.403 1.00 1.11 C ATOM 158 O LEU A 12 72.713 8.245 -12.136 1.00 1.25 O ATOM 159 CB LEU A 12 72.288 6.667 -9.191 1.00 1.32 C ATOM 160 CG LEU A 12 72.711 6.470 -7.735 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.834 5.393 -7.091 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.176 6.031 -7.682 1.00 1.68 C ATOM 0 H LEU A 12 71.906 9.021 -9.010 1.00 1.18 H new ATOM 0 HA LEU A 12 74.290 7.456 -9.571 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.275 7.068 -9.234 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.273 5.708 -9.708 1.00 1.32 H new ATOM 0 HG LEU A 12 72.594 7.409 -7.193 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.135 5.252 -6.053 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.790 5.704 -7.127 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.952 4.455 -7.634 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.477 5.891 -6.644 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.294 5.093 -8.224 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.802 6.796 -8.141 1.00 1.68 H new ATOM 174 N THR A 13 73.738 6.321 -11.879 1.00 1.05 N ATOM 175 CA THR A 13 73.722 6.067 -13.349 1.00 1.13 C ATOM 176 C THR A 13 72.600 5.087 -13.699 1.00 0.94 C ATOM 177 O THR A 13 72.287 4.190 -12.942 1.00 0.87 O ATOM 178 CB THR A 13 75.088 5.456 -13.666 1.00 1.38 C ATOM 179 OG1 THR A 13 75.716 5.045 -12.458 1.00 1.89 O ATOM 180 CG2 THR A 13 75.961 6.494 -14.371 1.00 1.68 C ATOM 0 H THR A 13 74.174 5.591 -11.316 1.00 1.05 H new ATOM 0 HA THR A 13 73.544 6.976 -13.923 1.00 1.13 H new ATOM 0 HB THR A 13 74.957 4.592 -14.318 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.590 4.652 -12.661 1.00 1.89 H new ATOM 0 HG21 THR A 13 76.934 6.058 -14.597 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.479 6.805 -15.298 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.093 7.360 -13.722 1.00 1.68 H new ATOM 188 N GLU A 14 71.992 5.251 -14.842 1.00 0.94 N ATOM 189 CA GLU A 14 70.890 4.329 -15.236 1.00 0.90 C ATOM 190 C GLU A 14 71.273 2.881 -14.917 1.00 0.82 C ATOM 191 O GLU A 14 70.426 2.042 -14.690 1.00 0.82 O ATOM 192 CB GLU A 14 70.728 4.523 -16.744 1.00 1.05 C ATOM 193 CG GLU A 14 70.452 5.999 -17.041 1.00 2.10 C ATOM 194 CD GLU A 14 69.246 6.121 -17.978 1.00 2.64 C ATOM 195 OE1 GLU A 14 68.681 5.096 -18.323 1.00 2.91 O ATOM 196 OE2 GLU A 14 68.910 7.238 -18.334 1.00 3.31 O ATOM 0 H GLU A 14 72.210 5.982 -15.519 1.00 0.94 H new ATOM 0 HA GLU A 14 69.965 4.538 -14.699 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.631 4.199 -17.262 1.00 1.05 H new ATOM 0 HB3 GLU A 14 69.909 3.907 -17.115 1.00 1.05 H new ATOM 0 HG2 GLU A 14 70.259 6.537 -16.113 1.00 2.10 H new ATOM 0 HG3 GLU A 14 71.328 6.458 -17.499 1.00 2.10 H new ATOM 203 N GLU A 15 72.543 2.584 -14.897 1.00 0.92 N ATOM 204 CA GLU A 15 72.977 1.190 -14.591 1.00 1.01 C ATOM 205 C GLU A 15 72.681 0.852 -13.126 1.00 0.90 C ATOM 206 O GLU A 15 72.279 -0.247 -12.803 1.00 0.89 O ATOM 207 CB GLU A 15 74.485 1.175 -14.850 1.00 1.23 C ATOM 208 CG GLU A 15 74.881 -0.161 -15.484 1.00 1.92 C ATOM 209 CD GLU A 15 75.565 -1.041 -14.435 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.148 -0.996 -13.289 1.00 2.90 O ATOM 211 OE2 GLU A 15 76.493 -1.744 -14.797 1.00 2.80 O ATOM 0 H GLU A 15 73.299 3.244 -15.079 1.00 0.92 H new ATOM 0 HA GLU A 15 72.452 0.453 -15.200 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.760 1.998 -15.510 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.027 1.321 -13.915 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.998 -0.665 -15.877 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.553 0.009 -16.326 1.00 1.92 H new ATOM 218 N GLN A 16 72.877 1.790 -12.239 1.00 0.89 N ATOM 219 CA GLN A 16 72.606 1.518 -10.798 1.00 0.87 C ATOM 220 C GLN A 16 71.107 1.640 -10.512 1.00 0.68 C ATOM 221 O GLN A 16 70.522 0.806 -9.848 1.00 0.67 O ATOM 222 CB GLN A 16 73.387 2.591 -10.040 1.00 0.97 C ATOM 223 CG GLN A 16 74.833 2.617 -10.540 1.00 1.77 C ATOM 224 CD GLN A 16 75.765 3.002 -9.389 1.00 2.15 C ATOM 225 OE1 GLN A 16 76.117 2.174 -8.574 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.182 4.235 -9.290 1.00 2.61 N ATOM 0 H GLN A 16 73.212 2.730 -12.449 1.00 0.89 H new ATOM 0 HA GLN A 16 72.905 0.512 -10.502 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.922 3.566 -10.187 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.364 2.385 -8.970 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.110 1.639 -10.935 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.933 3.331 -11.358 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.886 4.930 -9.975 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.804 4.503 -8.527 1.00 2.61 H new ATOM 235 N LYS A 17 70.480 2.672 -11.008 1.00 0.63 N ATOM 236 CA LYS A 17 69.020 2.844 -10.765 1.00 0.62 C ATOM 237 C LYS A 17 68.238 1.706 -11.426 1.00 0.60 C ATOM 238 O LYS A 17 67.316 1.160 -10.855 1.00 0.66 O ATOM 239 CB LYS A 17 68.667 4.186 -11.410 1.00 0.74 C ATOM 240 CG LYS A 17 67.298 4.649 -10.907 1.00 1.21 C ATOM 241 CD LYS A 17 67.448 5.270 -9.517 1.00 1.31 C ATOM 242 CE LYS A 17 68.276 6.553 -9.613 1.00 1.43 C ATOM 243 NZ LYS A 17 67.513 7.564 -8.831 1.00 2.06 N ATOM 0 H LYS A 17 70.916 3.403 -11.571 1.00 0.63 H new ATOM 0 HA LYS A 17 68.771 2.825 -9.704 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.426 4.929 -11.167 1.00 0.74 H new ATOM 0 HB3 LYS A 17 68.653 4.088 -12.495 1.00 0.74 H new ATOM 0 HG2 LYS A 17 66.872 5.377 -11.598 1.00 1.21 H new ATOM 0 HG3 LYS A 17 66.609 3.805 -10.868 1.00 1.21 H new ATOM 0 HD2 LYS A 17 66.466 5.490 -9.098 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.931 4.563 -8.842 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.276 6.409 -9.203 1.00 1.43 H new ATOM 0 HE3 LYS A 17 68.399 6.867 -10.650 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.153 8.327 -8.533 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 66.754 7.960 -9.422 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.098 7.112 -7.991 1.00 2.06 H new ATOM 257 N ASN A 18 68.602 1.341 -12.626 1.00 0.70 N ATOM 258 CA ASN A 18 67.880 0.235 -13.319 1.00 0.85 C ATOM 259 C ASN A 18 67.903 -1.027 -12.454 1.00 0.70 C ATOM 260 O ASN A 18 66.902 -1.693 -12.283 1.00 0.66 O ATOM 261 CB ASN A 18 68.650 0.007 -14.620 1.00 1.11 C ATOM 262 CG ASN A 18 68.234 1.058 -15.651 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.140 1.582 -15.592 1.00 2.15 O ATOM 264 ND2 ASN A 18 69.066 1.390 -16.601 1.00 2.13 N ATOM 0 H ASN A 18 69.367 1.760 -13.156 1.00 0.70 H new ATOM 0 HA ASN A 18 66.834 0.477 -13.506 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.723 0.068 -14.436 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.449 -0.993 -15.003 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.797 2.089 -17.293 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.985 0.950 -16.651 1.00 2.13 H new ATOM 271 N GLU A 19 69.039 -1.362 -11.906 1.00 0.76 N ATOM 272 CA GLU A 19 69.124 -2.580 -11.050 1.00 0.79 C ATOM 273 C GLU A 19 68.435 -2.326 -9.707 1.00 0.65 C ATOM 274 O GLU A 19 67.824 -3.208 -9.137 1.00 0.66 O ATOM 275 CB GLU A 19 70.621 -2.822 -10.849 1.00 0.98 C ATOM 276 CG GLU A 19 70.860 -4.298 -10.527 1.00 1.21 C ATOM 277 CD GLU A 19 72.360 -4.546 -10.348 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.097 -3.575 -10.298 1.00 2.53 O ATOM 279 OE2 GLU A 19 72.744 -5.700 -10.264 1.00 2.44 O ATOM 0 H GLU A 19 69.912 -0.845 -12.014 1.00 0.76 H new ATOM 0 HA GLU A 19 68.632 -3.440 -11.504 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.170 -2.541 -11.748 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.996 -2.197 -10.039 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.324 -4.574 -9.619 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.471 -4.924 -11.330 1.00 1.21 H new ATOM 286 N PHE A 20 68.526 -1.128 -9.199 1.00 0.67 N ATOM 287 CA PHE A 20 67.873 -0.819 -7.895 1.00 0.75 C ATOM 288 C PHE A 20 66.355 -0.744 -8.072 1.00 0.66 C ATOM 289 O PHE A 20 65.613 -1.488 -7.463 1.00 0.79 O ATOM 290 CB PHE A 20 68.434 0.544 -7.480 1.00 0.97 C ATOM 291 CG PHE A 20 69.942 0.470 -7.363 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.591 -0.772 -7.325 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.691 1.652 -7.289 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.986 -0.830 -7.216 1.00 3.36 C ATOM 295 CE2 PHE A 20 72.086 1.591 -7.180 1.00 3.29 C ATOM 296 CZ PHE A 20 72.733 0.352 -7.142 1.00 3.69 C ATOM 0 H PHE A 20 69.024 -0.349 -9.630 1.00 0.67 H new ATOM 0 HA PHE A 20 68.069 -1.584 -7.143 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.155 1.300 -8.214 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.002 0.850 -6.527 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.015 -1.684 -7.380 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.193 2.610 -7.316 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.486 -1.787 -7.189 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.663 2.502 -7.125 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.809 0.307 -7.056 1.00 3.69 H new ATOM 306 N LYS A 21 65.887 0.148 -8.903 1.00 0.60 N ATOM 307 CA LYS A 21 64.416 0.264 -9.117 1.00 0.65 C ATOM 308 C LYS A 21 63.810 -1.124 -9.343 1.00 0.57 C ATOM 309 O LYS A 21 62.761 -1.447 -8.821 1.00 0.57 O ATOM 310 CB LYS A 21 64.261 1.127 -10.370 1.00 0.78 C ATOM 311 CG LYS A 21 62.828 1.012 -10.895 1.00 1.27 C ATOM 312 CD LYS A 21 61.842 1.228 -9.745 1.00 1.58 C ATOM 313 CE LYS A 21 61.967 2.663 -9.227 1.00 2.42 C ATOM 314 NZ LYS A 21 61.745 3.523 -10.423 1.00 2.88 N ATOM 0 H LYS A 21 66.458 0.800 -9.441 1.00 0.60 H new ATOM 0 HA LYS A 21 63.906 0.702 -8.259 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.493 2.167 -10.139 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.967 0.805 -11.136 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.656 1.750 -11.678 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.671 0.030 -11.342 1.00 1.27 H new ATOM 0 HD2 LYS A 21 60.824 1.040 -10.085 1.00 1.58 H new ATOM 0 HD3 LYS A 21 62.045 0.521 -8.941 1.00 1.58 H new ATOM 0 HE2 LYS A 21 61.230 2.868 -8.451 1.00 2.42 H new ATOM 0 HE3 LYS A 21 62.949 2.841 -8.789 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 61.413 4.461 -10.120 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 62.637 3.624 -10.948 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 61.029 3.085 -11.038 1.00 2.88 H new ATOM 328 N ALA A 22 64.468 -1.948 -10.112 1.00 0.59 N ATOM 329 CA ALA A 22 63.935 -3.317 -10.367 1.00 0.62 C ATOM 330 C ALA A 22 64.182 -4.207 -9.148 1.00 0.50 C ATOM 331 O ALA A 22 63.312 -4.932 -8.710 1.00 0.50 O ATOM 332 CB ALA A 22 64.719 -3.829 -11.576 1.00 0.76 C ATOM 0 H ALA A 22 65.351 -1.733 -10.575 1.00 0.59 H new ATOM 0 HA ALA A 22 62.861 -3.318 -10.552 1.00 0.62 H new ATOM 0 HB1 ALA A 22 64.384 -4.835 -11.827 1.00 0.76 H new ATOM 0 HB2 ALA A 22 64.550 -3.167 -12.426 1.00 0.76 H new ATOM 0 HB3 ALA A 22 65.782 -3.850 -11.338 1.00 0.76 H new ATOM 338 N ALA A 23 65.364 -4.155 -8.595 1.00 0.50 N ATOM 339 CA ALA A 23 65.667 -4.995 -7.403 1.00 0.53 C ATOM 340 C ALA A 23 64.517 -4.912 -6.397 1.00 0.46 C ATOM 341 O ALA A 23 64.060 -5.911 -5.876 1.00 0.52 O ATOM 342 CB ALA A 23 66.942 -4.395 -6.809 1.00 0.64 C ATOM 0 H ALA A 23 66.132 -3.567 -8.918 1.00 0.50 H new ATOM 0 HA ALA A 23 65.793 -6.047 -7.659 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.232 -4.960 -5.923 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.743 -4.440 -7.547 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.761 -3.356 -6.533 1.00 0.64 H new ATOM 348 N PHE A 24 64.044 -3.727 -6.123 1.00 0.47 N ATOM 349 CA PHE A 24 62.921 -3.578 -5.154 1.00 0.57 C ATOM 350 C PHE A 24 61.689 -4.335 -5.656 1.00 0.48 C ATOM 351 O PHE A 24 60.926 -4.880 -4.884 1.00 0.51 O ATOM 352 CB PHE A 24 62.643 -2.075 -5.100 1.00 0.77 C ATOM 353 CG PHE A 24 61.353 -1.828 -4.353 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.124 -2.063 -4.981 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.387 -1.361 -3.034 1.00 1.54 C ATOM 356 CE1 PHE A 24 58.929 -1.832 -4.290 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.193 -1.130 -2.343 1.00 1.62 C ATOM 358 CZ PHE A 24 58.964 -1.365 -2.969 1.00 1.25 C ATOM 0 H PHE A 24 64.386 -2.856 -6.528 1.00 0.47 H new ATOM 0 HA PHE A 24 63.164 -3.983 -4.172 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.466 -1.560 -4.606 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.574 -1.671 -6.110 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.098 -2.423 -5.999 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.335 -1.179 -2.550 1.00 1.54 H new ATOM 0 HE1 PHE A 24 57.981 -2.013 -4.774 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.220 -0.770 -1.325 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.043 -1.187 -2.434 1.00 1.25 H new ATOM 368 N ASP A 25 61.491 -4.373 -6.946 1.00 0.45 N ATOM 369 CA ASP A 25 60.310 -5.097 -7.498 1.00 0.53 C ATOM 370 C ASP A 25 60.483 -6.607 -7.312 1.00 0.52 C ATOM 371 O ASP A 25 59.528 -7.333 -7.124 1.00 0.60 O ATOM 372 CB ASP A 25 60.282 -4.738 -8.983 1.00 0.66 C ATOM 373 CG ASP A 25 58.909 -5.077 -9.566 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.027 -5.416 -8.794 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.763 -4.993 -10.774 1.00 1.52 O ATOM 0 H ASP A 25 62.095 -3.934 -7.641 1.00 0.45 H new ATOM 0 HA ASP A 25 59.383 -4.819 -6.996 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.493 -3.677 -9.115 1.00 0.66 H new ATOM 0 HB3 ASP A 25 61.060 -5.286 -9.515 1.00 0.66 H new ATOM 380 N ILE A 26 61.697 -7.083 -7.365 1.00 0.50 N ATOM 381 CA ILE A 26 61.933 -8.545 -7.192 1.00 0.63 C ATOM 382 C ILE A 26 62.153 -8.871 -5.712 1.00 0.70 C ATOM 383 O ILE A 26 61.897 -9.971 -5.264 1.00 0.94 O ATOM 384 CB ILE A 26 63.197 -8.839 -7.998 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.066 -8.217 -9.391 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.382 -10.352 -8.128 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.411 -8.297 -10.116 1.00 0.69 C ATOM 0 H ILE A 26 62.535 -6.523 -7.521 1.00 0.50 H new ATOM 0 HA ILE A 26 61.087 -9.144 -7.528 1.00 0.63 H new ATOM 0 HB ILE A 26 64.061 -8.413 -7.488 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.301 -8.741 -9.964 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.747 -7.178 -9.308 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.284 -10.560 -8.703 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.474 -10.794 -7.136 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.520 -10.782 -8.638 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.317 -7.854 -11.107 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.165 -7.754 -9.546 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.711 -9.340 -10.212 1.00 0.69 H new ATOM 399 N PHE A 27 62.625 -7.923 -4.951 1.00 0.61 N ATOM 400 CA PHE A 27 62.861 -8.178 -3.502 1.00 0.79 C ATOM 401 C PHE A 27 61.553 -8.037 -2.718 1.00 0.76 C ATOM 402 O PHE A 27 61.440 -8.491 -1.597 1.00 1.03 O ATOM 403 CB PHE A 27 63.868 -7.109 -3.068 1.00 0.91 C ATOM 404 CG PHE A 27 65.131 -7.213 -3.898 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.309 -8.279 -4.793 1.00 2.23 C ATOM 406 CD2 PHE A 27 66.129 -6.238 -3.771 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.479 -8.367 -5.555 1.00 3.07 C ATOM 408 CE2 PHE A 27 67.299 -6.327 -4.534 1.00 2.83 C ATOM 409 CZ PHE A 27 67.474 -7.392 -5.425 1.00 3.21 C ATOM 0 H PHE A 27 62.858 -6.982 -5.270 1.00 0.61 H new ATOM 0 HA PHE A 27 63.233 -9.186 -3.316 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.429 -6.118 -3.183 1.00 0.91 H new ATOM 0 HB3 PHE A 27 64.107 -7.232 -2.012 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.542 -9.032 -4.894 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.995 -5.416 -3.083 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.614 -9.188 -6.244 1.00 3.07 H new ATOM 0 HE2 PHE A 27 68.067 -5.574 -4.435 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.378 -7.461 -6.013 1.00 3.21 H new ATOM 419 N VAL A 28 60.566 -7.414 -3.300 1.00 0.63 N ATOM 420 CA VAL A 28 59.267 -7.250 -2.588 1.00 0.65 C ATOM 421 C VAL A 28 58.388 -8.485 -2.821 1.00 0.65 C ATOM 422 O VAL A 28 57.295 -8.588 -2.302 1.00 0.74 O ATOM 423 CB VAL A 28 58.650 -5.984 -3.200 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.124 -6.105 -3.266 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.023 -4.783 -2.332 1.00 1.47 C ATOM 0 H VAL A 28 60.602 -7.012 -4.237 1.00 0.63 H new ATOM 0 HA VAL A 28 59.376 -7.155 -1.508 1.00 0.65 H new ATOM 0 HB VAL A 28 59.034 -5.855 -4.212 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.706 -5.198 -3.703 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.853 -6.963 -3.882 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.726 -6.241 -2.260 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.590 -3.878 -2.758 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.638 -4.930 -1.323 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.108 -4.683 -2.295 1.00 1.47 H new ATOM 435 N LEU A 29 58.862 -9.421 -3.595 1.00 0.92 N ATOM 436 CA LEU A 29 58.060 -10.648 -3.857 1.00 0.99 C ATOM 437 C LEU A 29 57.607 -11.268 -2.536 1.00 0.99 C ATOM 438 O LEU A 29 56.557 -11.873 -2.446 1.00 1.10 O ATOM 439 CB LEU A 29 59.020 -11.587 -4.583 1.00 1.43 C ATOM 440 CG LEU A 29 58.841 -11.439 -6.096 1.00 1.74 C ATOM 441 CD1 LEU A 29 58.805 -9.955 -6.468 1.00 2.11 C ATOM 442 CD2 LEU A 29 60.010 -12.114 -6.816 1.00 2.45 C ATOM 0 H LEU A 29 59.771 -9.389 -4.058 1.00 0.92 H new ATOM 0 HA LEU A 29 57.162 -10.445 -4.440 1.00 0.99 H new ATOM 0 HB2 LEU A 29 60.049 -11.357 -4.305 1.00 1.43 H new ATOM 0 HB3 LEU A 29 58.831 -12.618 -4.284 1.00 1.43 H new ATOM 0 HG LEU A 29 57.905 -11.910 -6.396 1.00 1.74 H new ATOM 0 HD11 LEU A 29 58.678 -9.853 -7.546 1.00 2.11 H new ATOM 0 HD12 LEU A 29 57.972 -9.472 -5.957 1.00 2.11 H new ATOM 0 HD13 LEU A 29 59.740 -9.482 -6.167 1.00 2.11 H new ATOM 0 HD21 LEU A 29 59.883 -12.009 -7.893 1.00 2.45 H new ATOM 0 HD22 LEU A 29 60.945 -11.643 -6.513 1.00 2.45 H new ATOM 0 HD23 LEU A 29 60.036 -13.172 -6.555 1.00 2.45 H new ATOM 454 N GLY A 30 58.394 -11.115 -1.507 1.00 1.16 N ATOM 455 CA GLY A 30 58.016 -11.687 -0.187 1.00 1.58 C ATOM 456 C GLY A 30 57.683 -10.549 0.778 1.00 1.39 C ATOM 457 O GLY A 30 57.264 -10.771 1.897 1.00 1.89 O ATOM 0 H GLY A 30 59.284 -10.617 -1.525 1.00 1.16 H new ATOM 0 HA2 GLY A 30 57.157 -12.349 -0.297 1.00 1.58 H new ATOM 0 HA3 GLY A 30 58.834 -12.288 0.210 1.00 1.58 H new ATOM 461 N ALA A 31 57.866 -9.329 0.352 1.00 0.90 N ATOM 462 CA ALA A 31 57.560 -8.174 1.245 1.00 0.95 C ATOM 463 C ALA A 31 56.158 -8.327 1.844 1.00 1.15 C ATOM 464 O ALA A 31 55.439 -9.255 1.533 1.00 1.41 O ATOM 465 CB ALA A 31 57.625 -6.944 0.341 1.00 0.97 C ATOM 0 H ALA A 31 58.214 -9.082 -0.574 1.00 0.90 H new ATOM 0 HA ALA A 31 58.257 -8.102 2.080 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.410 -6.050 0.927 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.622 -6.863 -0.092 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.889 -7.040 -0.457 1.00 0.97 H new ATOM 471 N GLU A 32 55.766 -7.423 2.700 1.00 1.35 N ATOM 472 CA GLU A 32 54.410 -7.520 3.316 1.00 1.90 C ATOM 473 C GLU A 32 53.641 -6.211 3.111 1.00 2.05 C ATOM 474 O GLU A 32 52.475 -6.213 2.769 1.00 2.79 O ATOM 475 CB GLU A 32 54.666 -7.763 4.803 1.00 2.37 C ATOM 476 CG GLU A 32 55.205 -9.181 5.004 1.00 2.44 C ATOM 477 CD GLU A 32 56.704 -9.118 5.304 1.00 2.83 C ATOM 478 OE1 GLU A 32 57.367 -8.268 4.734 1.00 3.24 O ATOM 479 OE2 GLU A 32 57.163 -9.922 6.098 1.00 3.29 O ATOM 0 H GLU A 32 56.324 -6.623 2.999 1.00 1.35 H new ATOM 0 HA GLU A 32 53.811 -8.314 2.871 1.00 1.90 H new ATOM 0 HB2 GLU A 32 55.381 -7.034 5.184 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.743 -7.630 5.368 1.00 2.37 H new ATOM 0 HG2 GLU A 32 54.679 -9.669 5.825 1.00 2.44 H new ATOM 0 HG3 GLU A 32 55.027 -9.780 4.111 1.00 2.44 H new ATOM 486 N ASP A 33 54.283 -5.095 3.320 1.00 1.80 N ATOM 487 CA ASP A 33 53.585 -3.790 3.139 1.00 2.11 C ATOM 488 C ASP A 33 53.961 -3.166 1.793 1.00 1.47 C ATOM 489 O ASP A 33 53.896 -1.967 1.614 1.00 1.80 O ATOM 490 CB ASP A 33 54.077 -2.914 4.292 1.00 3.12 C ATOM 491 CG ASP A 33 52.898 -2.140 4.883 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.862 -2.093 4.239 1.00 4.09 O ATOM 493 OD2 ASP A 33 53.050 -1.607 5.970 1.00 4.12 O ATOM 0 H ASP A 33 55.259 -5.030 3.608 1.00 1.80 H new ATOM 0 HA ASP A 33 52.501 -3.900 3.143 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.542 -3.532 5.060 1.00 3.12 H new ATOM 0 HB3 ASP A 33 54.839 -2.221 3.937 1.00 3.12 H new ATOM 498 N GLY A 34 54.354 -3.972 0.845 1.00 1.10 N ATOM 499 CA GLY A 34 54.732 -3.424 -0.488 1.00 1.40 C ATOM 500 C GLY A 34 56.088 -2.723 -0.390 1.00 1.17 C ATOM 501 O GLY A 34 56.389 -1.823 -1.149 1.00 1.39 O ATOM 0 H GLY A 34 54.430 -4.985 0.936 1.00 1.10 H new ATOM 0 HA2 GLY A 34 54.779 -4.228 -1.223 1.00 1.40 H new ATOM 0 HA3 GLY A 34 53.973 -2.722 -0.832 1.00 1.40 H new ATOM 505 N SER A 35 56.911 -3.127 0.539 1.00 0.84 N ATOM 506 CA SER A 35 58.247 -2.482 0.683 1.00 0.70 C ATOM 507 C SER A 35 59.282 -3.507 1.144 1.00 0.67 C ATOM 508 O SER A 35 59.021 -4.692 1.189 1.00 0.80 O ATOM 509 CB SER A 35 58.057 -1.398 1.743 1.00 0.75 C ATOM 510 OG SER A 35 56.671 -1.122 1.891 1.00 1.04 O ATOM 0 H SER A 35 56.716 -3.875 1.204 1.00 0.84 H new ATOM 0 HA SER A 35 58.607 -2.069 -0.259 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.478 -1.726 2.694 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.591 -0.493 1.453 1.00 0.75 H new ATOM 0 HG SER A 35 56.547 -0.428 2.572 1.00 1.04 H new ATOM 516 N ILE A 36 60.460 -3.060 1.480 1.00 0.69 N ATOM 517 CA ILE A 36 61.515 -4.012 1.932 1.00 0.78 C ATOM 518 C ILE A 36 62.076 -3.558 3.279 1.00 0.71 C ATOM 519 O ILE A 36 62.968 -2.738 3.346 1.00 0.98 O ATOM 520 CB ILE A 36 62.611 -3.977 0.855 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.037 -3.518 -0.492 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.191 -5.379 0.690 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.081 -3.725 -1.590 1.00 1.22 C ATOM 0 H ILE A 36 60.738 -2.079 1.462 1.00 0.69 H new ATOM 0 HA ILE A 36 61.123 -5.021 2.061 1.00 0.78 H new ATOM 0 HB ILE A 36 63.384 -3.275 1.167 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.133 -4.081 -0.725 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.753 -2.467 -0.439 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.970 -5.363 -0.073 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.617 -5.710 1.637 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.401 -6.066 0.388 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.673 -3.399 -2.547 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.973 -3.143 -1.359 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.343 -4.781 -1.649 1.00 1.22 H new ATOM 535 N SER A 37 61.554 -4.079 4.354 1.00 0.87 N ATOM 536 CA SER A 37 62.051 -3.667 5.697 1.00 0.87 C ATOM 537 C SER A 37 63.364 -4.381 6.025 1.00 0.76 C ATOM 538 O SER A 37 63.751 -5.326 5.368 1.00 0.87 O ATOM 539 CB SER A 37 60.954 -4.089 6.674 1.00 1.12 C ATOM 540 OG SER A 37 59.753 -4.337 5.955 1.00 1.52 O ATOM 0 H SER A 37 60.805 -4.772 4.361 1.00 0.87 H new ATOM 0 HA SER A 37 62.254 -2.597 5.747 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.258 -4.985 7.216 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.792 -3.307 7.416 1.00 1.12 H new ATOM 0 HG SER A 37 59.048 -4.609 6.579 1.00 1.52 H new ATOM 546 N THR A 38 64.050 -3.930 7.041 1.00 0.71 N ATOM 547 CA THR A 38 65.341 -4.575 7.424 1.00 0.65 C ATOM 548 C THR A 38 65.233 -6.099 7.311 1.00 0.70 C ATOM 549 O THR A 38 66.210 -6.785 7.086 1.00 1.37 O ATOM 550 CB THR A 38 65.603 -4.158 8.877 1.00 0.76 C ATOM 551 OG1 THR A 38 66.424 -5.133 9.505 1.00 1.55 O ATOM 552 CG2 THR A 38 64.282 -4.040 9.639 1.00 1.00 C ATOM 0 H THR A 38 63.772 -3.141 7.624 1.00 0.71 H new ATOM 0 HA THR A 38 66.154 -4.265 6.768 1.00 0.65 H new ATOM 0 HB THR A 38 66.105 -3.190 8.885 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.594 -4.868 10.433 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.481 -3.744 10.669 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.652 -3.290 9.161 1.00 1.00 H new ATOM 0 HG23 THR A 38 63.770 -5.002 9.631 1.00 1.00 H new ATOM 560 N LYS A 39 64.052 -6.633 7.460 1.00 0.60 N ATOM 561 CA LYS A 39 63.885 -8.111 7.354 1.00 0.66 C ATOM 562 C LYS A 39 63.919 -8.542 5.885 1.00 0.64 C ATOM 563 O LYS A 39 64.371 -9.619 5.554 1.00 0.87 O ATOM 564 CB LYS A 39 62.512 -8.399 7.963 1.00 0.81 C ATOM 565 CG LYS A 39 62.673 -8.747 9.443 1.00 1.42 C ATOM 566 CD LYS A 39 63.582 -7.716 10.115 1.00 1.58 C ATOM 567 CE LYS A 39 63.690 -8.026 11.609 1.00 2.15 C ATOM 568 NZ LYS A 39 64.047 -6.728 12.247 1.00 2.80 N ATOM 0 H LYS A 39 63.196 -6.111 7.650 1.00 0.60 H new ATOM 0 HA LYS A 39 64.680 -8.654 7.864 1.00 0.66 H new ATOM 0 HB2 LYS A 39 61.863 -7.530 7.851 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.034 -9.224 7.435 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.699 -8.762 9.932 1.00 1.42 H new ATOM 0 HG3 LYS A 39 63.098 -9.745 9.548 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.571 -7.734 9.657 1.00 1.58 H new ATOM 0 HD3 LYS A 39 63.182 -6.713 9.969 1.00 1.58 H new ATOM 0 HE2 LYS A 39 62.749 -8.413 12.001 1.00 2.15 H new ATOM 0 HE3 LYS A 39 64.451 -8.783 11.801 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.139 -6.860 13.274 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.950 -6.387 11.859 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 63.302 -6.029 12.053 1.00 2.80 H new ATOM 582 N GLU A 40 63.442 -7.708 5.002 1.00 0.63 N ATOM 583 CA GLU A 40 63.446 -8.068 3.556 1.00 0.68 C ATOM 584 C GLU A 40 64.724 -7.556 2.886 1.00 0.66 C ATOM 585 O GLU A 40 65.192 -8.113 1.914 1.00 0.83 O ATOM 586 CB GLU A 40 62.219 -7.369 2.971 1.00 0.86 C ATOM 587 CG GLU A 40 60.952 -7.932 3.618 1.00 1.05 C ATOM 588 CD GLU A 40 60.909 -9.448 3.420 1.00 1.54 C ATOM 589 OE1 GLU A 40 60.412 -9.877 2.392 1.00 1.92 O ATOM 590 OE2 GLU A 40 61.374 -10.154 4.300 1.00 2.32 O ATOM 0 H GLU A 40 63.049 -6.792 5.220 1.00 0.63 H new ATOM 0 HA GLU A 40 63.415 -9.146 3.399 1.00 0.68 H new ATOM 0 HB2 GLU A 40 62.282 -6.295 3.145 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.184 -7.515 1.891 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.937 -7.693 4.681 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.069 -7.471 3.175 1.00 1.05 H new ATOM 597 N LEU A 41 65.291 -6.499 3.399 1.00 0.73 N ATOM 598 CA LEU A 41 66.538 -5.953 2.791 1.00 0.80 C ATOM 599 C LEU A 41 67.691 -6.946 2.965 1.00 0.72 C ATOM 600 O LEU A 41 68.644 -6.942 2.214 1.00 0.81 O ATOM 601 CB LEU A 41 66.820 -4.664 3.562 1.00 1.10 C ATOM 602 CG LEU A 41 66.991 -3.506 2.579 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.174 -3.793 1.653 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.718 -3.357 1.743 1.00 1.83 C ATOM 0 H LEU A 41 64.945 -5.990 4.212 1.00 0.73 H new ATOM 0 HA LEU A 41 66.433 -5.775 1.721 1.00 0.80 H new ATOM 0 HB2 LEU A 41 66.001 -4.453 4.249 1.00 1.10 H new ATOM 0 HB3 LEU A 41 67.721 -4.779 4.165 1.00 1.10 H new ATOM 0 HG LEU A 41 67.176 -2.585 3.132 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.296 -2.967 0.952 1.00 1.94 H new ATOM 0 HD12 LEU A 41 69.082 -3.903 2.246 1.00 1.94 H new ATOM 0 HD13 LEU A 41 67.988 -4.714 1.100 1.00 1.94 H new ATOM 0 HD21 LEU A 41 65.838 -2.532 1.041 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.535 -4.279 1.191 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.873 -3.154 2.400 1.00 1.83 H new ATOM 616 N GLY A 42 67.609 -7.796 3.952 1.00 0.72 N ATOM 617 CA GLY A 42 68.700 -8.786 4.174 1.00 0.91 C ATOM 618 C GLY A 42 69.058 -9.463 2.849 1.00 0.78 C ATOM 619 O GLY A 42 70.115 -9.239 2.293 1.00 0.84 O ATOM 0 H GLY A 42 66.834 -7.847 4.614 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.577 -8.289 4.588 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.384 -9.533 4.902 1.00 0.91 H new ATOM 623 N LYS A 43 68.188 -10.292 2.341 1.00 0.77 N ATOM 624 CA LYS A 43 68.481 -10.983 1.051 1.00 0.86 C ATOM 625 C LYS A 43 68.903 -9.967 -0.012 1.00 0.79 C ATOM 626 O LYS A 43 69.791 -10.215 -0.804 1.00 0.99 O ATOM 627 CB LYS A 43 67.165 -11.655 0.656 1.00 0.95 C ATOM 628 CG LYS A 43 67.271 -13.164 0.883 1.00 1.34 C ATOM 629 CD LYS A 43 67.658 -13.852 -0.428 1.00 2.13 C ATOM 630 CE LYS A 43 67.530 -15.368 -0.268 1.00 2.65 C ATOM 631 NZ LYS A 43 68.373 -15.942 -1.355 1.00 2.98 N ATOM 0 H LYS A 43 67.288 -10.521 2.762 1.00 0.77 H new ATOM 0 HA LYS A 43 69.296 -11.701 1.144 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.345 -11.245 1.245 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.940 -11.449 -0.390 1.00 0.95 H new ATOM 0 HG2 LYS A 43 68.016 -13.376 1.650 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.320 -13.556 1.245 1.00 1.34 H new ATOM 0 HD2 LYS A 43 67.014 -13.506 -1.236 1.00 2.13 H new ATOM 0 HD3 LYS A 43 68.680 -13.590 -0.700 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.876 -15.692 0.713 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.492 -15.689 -0.362 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 68.336 -16.980 -1.311 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 68.015 -15.622 -2.278 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 69.356 -15.625 -1.236 1.00 2.98 H new ATOM 645 N VAL A 44 68.271 -8.825 -0.040 1.00 0.72 N ATOM 646 CA VAL A 44 68.632 -7.794 -1.054 1.00 0.93 C ATOM 647 C VAL A 44 70.097 -7.377 -0.900 1.00 0.89 C ATOM 648 O VAL A 44 70.818 -7.237 -1.868 1.00 1.06 O ATOM 649 CB VAL A 44 67.706 -6.613 -0.760 1.00 1.18 C ATOM 650 CG1 VAL A 44 68.102 -5.420 -1.632 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.261 -7.012 -1.067 1.00 1.80 C ATOM 0 H VAL A 44 67.519 -8.561 0.597 1.00 0.72 H new ATOM 0 HA VAL A 44 68.518 -8.164 -2.073 1.00 0.93 H new ATOM 0 HB VAL A 44 67.793 -6.337 0.291 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.441 -4.580 -1.421 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.131 -5.136 -1.414 1.00 1.72 H new ATOM 0 HG13 VAL A 44 68.016 -5.694 -2.684 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.599 -6.171 -0.858 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.175 -7.289 -2.118 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.978 -7.860 -0.444 1.00 1.80 H new ATOM 661 N MET A 45 70.543 -7.173 0.309 1.00 0.86 N ATOM 662 CA MET A 45 71.960 -6.760 0.521 1.00 1.06 C ATOM 663 C MET A 45 72.916 -7.798 -0.075 1.00 1.08 C ATOM 664 O MET A 45 73.860 -7.462 -0.762 1.00 1.14 O ATOM 665 CB MET A 45 72.128 -6.686 2.038 1.00 1.34 C ATOM 666 CG MET A 45 72.473 -5.252 2.443 1.00 1.88 C ATOM 667 SD MET A 45 71.211 -4.623 3.577 1.00 2.45 S ATOM 668 CE MET A 45 71.751 -2.896 3.584 1.00 3.35 C ATOM 0 H MET A 45 69.988 -7.274 1.159 1.00 0.86 H new ATOM 0 HA MET A 45 72.187 -5.810 0.037 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.210 -7.004 2.532 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.916 -7.366 2.361 1.00 1.34 H new ATOM 0 HG2 MET A 45 73.452 -5.224 2.921 1.00 1.88 H new ATOM 0 HG3 MET A 45 72.531 -4.617 1.559 1.00 1.88 H new ATOM 0 HE1 MET A 45 71.120 -2.320 4.261 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.787 -2.840 3.917 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.671 -2.486 2.577 1.00 3.35 H new ATOM 678 N ARG A 46 72.682 -9.055 0.183 1.00 1.20 N ATOM 679 CA ARG A 46 73.582 -10.110 -0.370 1.00 1.46 C ATOM 680 C ARG A 46 73.498 -10.133 -1.898 1.00 1.52 C ATOM 681 O ARG A 46 74.393 -10.607 -2.571 1.00 1.73 O ATOM 682 CB ARG A 46 73.063 -11.423 0.216 1.00 1.74 C ATOM 683 CG ARG A 46 74.234 -12.222 0.789 1.00 1.93 C ATOM 684 CD ARG A 46 74.220 -13.637 0.208 1.00 2.48 C ATOM 685 NE ARG A 46 75.638 -13.917 -0.153 1.00 2.64 N ATOM 686 CZ ARG A 46 75.913 -14.657 -1.192 1.00 3.08 C ATOM 687 NH1 ARG A 46 74.995 -15.434 -1.701 1.00 3.64 N ATOM 688 NH2 ARG A 46 77.105 -14.619 -1.723 1.00 3.41 N ATOM 0 H ARG A 46 71.908 -9.398 0.752 1.00 1.20 H new ATOM 0 HA ARG A 46 74.627 -9.935 -0.114 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.330 -11.221 0.997 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.556 -12.003 -0.555 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.176 -11.729 0.550 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.163 -12.263 1.876 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.847 -14.359 0.935 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.570 -13.699 -0.665 1.00 2.48 H new ATOM 0 HE ARG A 46 76.394 -13.530 0.412 1.00 2.64 H new ATOM 0 HH11 ARG A 46 74.063 -15.462 -1.286 1.00 3.64 H new ATOM 0 HH12 ARG A 46 75.210 -16.013 -2.513 1.00 3.64 H new ATOM 0 HH21 ARG A 46 77.821 -14.011 -1.326 1.00 3.41 H new ATOM 0 HH22 ARG A 46 77.320 -15.197 -2.535 1.00 3.41 H new ATOM 702 N MET A 47 72.432 -9.625 -2.453 1.00 1.46 N ATOM 703 CA MET A 47 72.295 -9.619 -3.938 1.00 1.73 C ATOM 704 C MET A 47 73.096 -8.462 -4.538 1.00 1.75 C ATOM 705 O MET A 47 73.834 -8.630 -5.489 1.00 2.01 O ATOM 706 CB MET A 47 70.801 -9.426 -4.198 1.00 1.70 C ATOM 707 CG MET A 47 70.002 -10.425 -3.359 1.00 1.96 C ATOM 708 SD MET A 47 69.301 -11.697 -4.440 1.00 1.94 S ATOM 709 CE MET A 47 68.347 -10.588 -5.504 1.00 1.52 C ATOM 0 H MET A 47 71.650 -9.214 -1.943 1.00 1.46 H new ATOM 0 HA MET A 47 72.673 -10.536 -4.390 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.506 -8.407 -3.947 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.584 -9.569 -5.257 1.00 1.70 H new ATOM 0 HG2 MET A 47 70.647 -10.884 -2.610 1.00 1.96 H new ATOM 0 HG3 MET A 47 69.206 -9.910 -2.822 1.00 1.96 H new ATOM 0 HE1 MET A 47 67.318 -10.943 -5.570 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.358 -9.582 -5.084 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.789 -10.570 -6.500 1.00 1.52 H new ATOM 719 N LEU A 48 72.953 -7.288 -3.990 1.00 1.60 N ATOM 720 CA LEU A 48 73.702 -6.115 -4.528 1.00 1.69 C ATOM 721 C LEU A 48 75.188 -6.225 -4.177 1.00 1.68 C ATOM 722 O LEU A 48 76.017 -5.526 -4.726 1.00 1.99 O ATOM 723 CB LEU A 48 73.075 -4.900 -3.844 1.00 1.73 C ATOM 724 CG LEU A 48 71.567 -4.894 -4.096 1.00 1.75 C ATOM 725 CD1 LEU A 48 70.929 -3.719 -3.354 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.302 -4.754 -5.596 1.00 2.15 C ATOM 0 H LEU A 48 72.350 -7.088 -3.192 1.00 1.60 H new ATOM 0 HA LEU A 48 73.641 -6.049 -5.614 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.275 -4.929 -2.773 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.522 -3.983 -4.227 1.00 1.73 H new ATOM 0 HG LEU A 48 71.135 -5.828 -3.735 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.854 -3.715 -3.534 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.117 -3.818 -2.285 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.360 -2.785 -3.713 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.227 -4.750 -5.777 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.734 -3.821 -5.956 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.755 -5.592 -6.125 1.00 2.15 H new ATOM 738 N GLY A 49 75.531 -7.097 -3.269 1.00 1.63 N ATOM 739 CA GLY A 49 76.965 -7.248 -2.888 1.00 1.87 C ATOM 740 C GLY A 49 77.170 -6.757 -1.454 1.00 1.54 C ATOM 741 O GLY A 49 78.063 -5.983 -1.174 1.00 1.53 O ATOM 0 H GLY A 49 74.883 -7.710 -2.775 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.266 -8.292 -2.972 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.595 -6.679 -3.571 1.00 1.87 H new ATOM 745 N GLN A 50 76.350 -7.204 -0.543 1.00 1.37 N ATOM 746 CA GLN A 50 76.499 -6.764 0.875 1.00 1.17 C ATOM 747 C GLN A 50 76.244 -7.940 1.822 1.00 1.24 C ATOM 748 O GLN A 50 75.393 -8.771 1.578 1.00 1.75 O ATOM 749 CB GLN A 50 75.436 -5.681 1.065 1.00 1.29 C ATOM 750 CG GLN A 50 75.849 -4.420 0.302 1.00 1.28 C ATOM 751 CD GLN A 50 75.324 -3.184 1.035 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.258 -3.163 2.249 1.00 1.89 O ATOM 753 NE2 GLN A 50 74.945 -2.143 0.345 1.00 1.85 N ATOM 0 H GLN A 50 75.584 -7.854 -0.718 1.00 1.37 H new ATOM 0 HA GLN A 50 77.501 -6.394 1.091 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.471 -6.037 0.705 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.317 -5.455 2.125 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.935 -4.372 0.218 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.452 -4.450 -0.713 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.000 -2.159 -0.673 1.00 1.85 H new ATOM 0 HE22 GLN A 50 74.594 -1.314 0.824 1.00 1.85 H new ATOM 762 N ASN A 51 76.973 -8.015 2.901 1.00 1.18 N ATOM 763 CA ASN A 51 76.770 -9.138 3.862 1.00 1.29 C ATOM 764 C ASN A 51 76.795 -8.613 5.301 1.00 1.07 C ATOM 765 O ASN A 51 77.615 -9.021 6.097 1.00 1.45 O ATOM 766 CB ASN A 51 77.944 -10.087 3.616 1.00 1.96 C ATOM 767 CG ASN A 51 77.413 -11.490 3.320 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.258 -11.866 2.175 1.00 3.07 O ATOM 769 ND2 ASN A 51 77.124 -12.289 4.312 1.00 3.29 N ATOM 0 H ASN A 51 77.700 -7.348 3.160 1.00 1.18 H new ATOM 0 HA ASN A 51 75.810 -9.634 3.722 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.545 -9.730 2.779 1.00 1.96 H new ATOM 0 HB3 ASN A 51 78.596 -10.110 4.489 1.00 1.96 H new ATOM 0 HD21 ASN A 51 76.769 -13.227 4.125 1.00 3.29 H new ATOM 0 HD22 ASN A 51 77.253 -11.975 5.274 1.00 3.29 H new ATOM 776 N PRO A 52 75.887 -7.718 5.581 1.00 1.47 N ATOM 777 CA PRO A 52 75.794 -7.121 6.936 1.00 2.11 C ATOM 778 C PRO A 52 75.249 -8.140 7.941 1.00 1.79 C ATOM 779 O PRO A 52 74.852 -9.232 7.583 1.00 2.07 O ATOM 780 CB PRO A 52 74.814 -5.966 6.750 1.00 2.97 C ATOM 781 CG PRO A 52 73.990 -6.348 5.562 1.00 2.97 C ATOM 782 CD PRO A 52 74.870 -7.182 4.669 1.00 2.03 C ATOM 0 HA PRO A 52 76.759 -6.800 7.327 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.192 -5.829 7.635 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.339 -5.026 6.581 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.108 -6.910 5.869 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.636 -5.461 5.036 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.307 -7.980 4.185 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.319 -6.583 3.877 1.00 2.03 H new ATOM 790 N THR A 53 75.229 -7.789 9.198 1.00 1.42 N ATOM 791 CA THR A 53 74.711 -8.731 10.233 1.00 1.16 C ATOM 792 C THR A 53 73.300 -8.319 10.663 1.00 0.98 C ATOM 793 O THR A 53 72.774 -7.329 10.195 1.00 0.92 O ATOM 794 CB THR A 53 75.685 -8.604 11.409 1.00 1.19 C ATOM 795 OG1 THR A 53 76.538 -7.486 11.202 1.00 1.40 O ATOM 796 CG2 THR A 53 76.525 -9.876 11.516 1.00 1.36 C ATOM 0 H THR A 53 75.550 -6.889 9.554 1.00 1.42 H new ATOM 0 HA THR A 53 74.647 -9.755 9.864 1.00 1.16 H new ATOM 0 HB THR A 53 75.122 -8.463 12.332 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.159 -7.405 11.955 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.218 -9.785 12.353 1.00 1.36 H new ATOM 0 HG22 THR A 53 75.870 -10.732 11.678 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.087 -10.019 10.593 1.00 1.36 H new ATOM 804 N PRO A 54 72.737 -9.094 11.551 1.00 0.99 N ATOM 805 CA PRO A 54 71.373 -8.804 12.060 1.00 1.04 C ATOM 806 C PRO A 54 71.394 -7.557 12.950 1.00 0.93 C ATOM 807 O PRO A 54 70.461 -6.779 12.967 1.00 0.94 O ATOM 808 CB PRO A 54 71.020 -10.050 12.870 1.00 1.19 C ATOM 809 CG PRO A 54 72.337 -10.637 13.263 1.00 1.18 C ATOM 810 CD PRO A 54 73.308 -10.300 12.161 1.00 1.10 C ATOM 0 HA PRO A 54 70.651 -8.601 11.269 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.423 -9.796 13.746 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.434 -10.754 12.278 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.675 -10.227 14.215 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.257 -11.716 13.391 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.309 -10.116 12.552 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.392 -11.112 11.439 1.00 1.10 H new ATOM 818 N GLU A 55 72.456 -7.358 13.680 1.00 0.98 N ATOM 819 CA GLU A 55 72.544 -6.158 14.560 1.00 1.08 C ATOM 820 C GLU A 55 72.890 -4.927 13.719 1.00 0.97 C ATOM 821 O GLU A 55 72.411 -3.838 13.964 1.00 1.01 O ATOM 822 CB GLU A 55 73.671 -6.469 15.547 1.00 1.28 C ATOM 823 CG GLU A 55 73.835 -5.299 16.519 1.00 2.15 C ATOM 824 CD GLU A 55 75.323 -4.982 16.692 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.098 -5.397 15.846 1.00 3.14 O ATOM 826 OE2 GLU A 55 75.660 -4.331 17.667 1.00 2.81 O ATOM 0 H GLU A 55 73.268 -7.975 13.706 1.00 0.98 H new ATOM 0 HA GLU A 55 71.606 -5.946 15.074 1.00 1.08 H new ATOM 0 HB2 GLU A 55 73.446 -7.383 16.096 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.603 -6.642 15.009 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.307 -4.423 16.142 1.00 2.15 H new ATOM 0 HG3 GLU A 55 73.391 -5.548 17.483 1.00 2.15 H new ATOM 833 N GLU A 56 73.718 -5.097 12.724 1.00 0.92 N ATOM 834 CA GLU A 56 74.095 -3.944 11.860 1.00 0.94 C ATOM 835 C GLU A 56 72.872 -3.453 11.082 1.00 0.84 C ATOM 836 O GLU A 56 72.790 -2.304 10.691 1.00 0.94 O ATOM 837 CB GLU A 56 75.153 -4.495 10.904 1.00 1.06 C ATOM 838 CG GLU A 56 76.543 -4.064 11.375 1.00 1.60 C ATOM 839 CD GLU A 56 76.767 -2.592 11.024 1.00 1.83 C ATOM 840 OE1 GLU A 56 76.837 -2.290 9.843 1.00 2.08 O ATOM 841 OE2 GLU A 56 76.866 -1.793 11.940 1.00 2.50 O ATOM 0 H GLU A 56 74.150 -5.986 12.473 1.00 0.92 H new ATOM 0 HA GLU A 56 74.470 -3.098 12.436 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.092 -5.583 10.865 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.971 -4.129 9.893 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.636 -4.210 12.451 1.00 1.60 H new ATOM 0 HG3 GLU A 56 77.307 -4.682 10.902 1.00 1.60 H new ATOM 848 N LEU A 57 71.920 -4.316 10.854 1.00 0.73 N ATOM 849 CA LEU A 57 70.701 -3.902 10.102 1.00 0.78 C ATOM 850 C LEU A 57 69.996 -2.754 10.829 1.00 0.80 C ATOM 851 O LEU A 57 69.944 -1.641 10.345 1.00 0.89 O ATOM 852 CB LEU A 57 69.812 -5.147 10.074 1.00 0.85 C ATOM 853 CG LEU A 57 69.902 -5.808 8.697 1.00 0.84 C ATOM 854 CD1 LEU A 57 69.584 -7.298 8.825 1.00 1.30 C ATOM 855 CD2 LEU A 57 68.893 -5.152 7.751 1.00 1.10 C ATOM 0 H LEU A 57 71.933 -5.290 11.156 1.00 0.73 H new ATOM 0 HA LEU A 57 70.935 -3.546 9.099 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.126 -5.848 10.847 1.00 0.85 H new ATOM 0 HB3 LEU A 57 68.779 -4.874 10.291 1.00 0.85 H new ATOM 0 HG LEU A 57 70.909 -5.684 8.299 1.00 0.84 H new ATOM 0 HD11 LEU A 57 69.648 -7.769 7.844 1.00 1.30 H new ATOM 0 HD12 LEU A 57 70.300 -7.766 9.500 1.00 1.30 H new ATOM 0 HD13 LEU A 57 68.577 -7.422 9.222 1.00 1.30 H new ATOM 0 HD21 LEU A 57 68.956 -5.622 6.769 1.00 1.10 H new ATOM 0 HD22 LEU A 57 67.886 -5.277 8.149 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.118 -4.089 7.660 1.00 1.10 H new ATOM 867 N GLN A 58 69.454 -3.015 11.987 1.00 0.81 N ATOM 868 CA GLN A 58 68.755 -1.934 12.740 1.00 0.95 C ATOM 869 C GLN A 58 69.667 -0.712 12.869 1.00 0.99 C ATOM 870 O GLN A 58 69.243 0.413 12.686 1.00 1.13 O ATOM 871 CB GLN A 58 68.462 -2.533 14.116 1.00 1.09 C ATOM 872 CG GLN A 58 67.165 -1.935 14.665 1.00 1.25 C ATOM 873 CD GLN A 58 65.985 -2.823 14.267 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.816 -3.903 14.796 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.154 -2.410 13.347 1.00 1.74 N ATOM 0 H GLN A 58 69.464 -3.927 12.444 1.00 0.81 H new ATOM 0 HA GLN A 58 67.845 -1.602 12.240 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.373 -3.617 14.041 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.287 -2.327 14.798 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.221 -1.852 15.750 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.023 -0.927 14.275 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.295 -1.503 12.902 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.364 -2.995 13.074 1.00 1.74 H new ATOM 884 N GLU A 59 70.916 -0.923 13.180 1.00 0.97 N ATOM 885 CA GLU A 59 71.854 0.228 13.316 1.00 1.14 C ATOM 886 C GLU A 59 71.886 1.032 12.014 1.00 1.11 C ATOM 887 O GLU A 59 71.904 2.247 12.023 1.00 1.18 O ATOM 888 CB GLU A 59 73.219 -0.404 13.591 1.00 1.23 C ATOM 889 CG GLU A 59 74.091 0.582 14.372 1.00 1.60 C ATOM 890 CD GLU A 59 74.109 0.189 15.851 1.00 2.19 C ATOM 891 OE1 GLU A 59 73.194 0.576 16.557 1.00 2.77 O ATOM 892 OE2 GLU A 59 75.040 -0.492 16.251 1.00 2.75 O ATOM 0 H GLU A 59 71.328 -1.841 13.346 1.00 0.97 H new ATOM 0 HA GLU A 59 71.558 0.915 14.109 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.097 -1.326 14.159 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.704 -0.670 12.652 1.00 1.23 H new ATOM 0 HG2 GLU A 59 75.105 0.582 13.973 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.704 1.595 14.259 1.00 1.60 H new ATOM 899 N MET A 60 71.888 0.362 10.894 1.00 1.11 N ATOM 900 CA MET A 60 71.914 1.086 9.592 1.00 1.18 C ATOM 901 C MET A 60 70.606 1.855 9.397 1.00 1.13 C ATOM 902 O MET A 60 70.600 3.058 9.222 1.00 1.25 O ATOM 903 CB MET A 60 72.057 -0.007 8.533 1.00 1.22 C ATOM 904 CG MET A 60 73.539 -0.308 8.304 1.00 1.62 C ATOM 905 SD MET A 60 73.802 -0.760 6.571 1.00 1.82 S ATOM 906 CE MET A 60 74.352 0.865 5.995 1.00 2.02 C ATOM 0 H MET A 60 71.873 -0.656 10.825 1.00 1.11 H new ATOM 0 HA MET A 60 72.725 1.813 9.536 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.538 -0.910 8.855 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.592 0.313 7.600 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.142 0.564 8.559 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.861 -1.120 8.956 1.00 1.62 H new ATOM 0 HE1 MET A 60 74.574 0.817 4.929 1.00 2.02 H new ATOM 0 HE2 MET A 60 73.565 1.598 6.169 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.249 1.159 6.539 1.00 2.02 H new ATOM 916 N ILE A 61 69.495 1.170 9.429 1.00 1.04 N ATOM 917 CA ILE A 61 68.189 1.861 9.251 1.00 1.11 C ATOM 918 C ILE A 61 67.976 2.868 10.387 1.00 1.23 C ATOM 919 O ILE A 61 67.362 3.902 10.209 1.00 1.40 O ATOM 920 CB ILE A 61 67.143 0.739 9.293 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.941 0.190 7.880 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.807 1.274 9.816 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.219 -1.312 7.871 1.00 1.14 C ATOM 0 H ILE A 61 69.437 0.162 9.571 1.00 1.04 H new ATOM 0 HA ILE A 61 68.129 2.425 8.320 1.00 1.11 H new ATOM 0 HB ILE A 61 67.496 -0.049 9.959 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.922 0.384 7.546 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.607 0.698 7.183 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.076 0.466 9.840 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.943 1.670 10.822 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.450 2.067 9.159 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.075 -1.703 6.864 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.246 -1.494 8.187 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.535 -1.813 8.556 1.00 1.14 H new ATOM 935 N ASP A 62 68.481 2.572 11.553 1.00 1.23 N ATOM 936 CA ASP A 62 68.310 3.508 12.701 1.00 1.43 C ATOM 937 C ASP A 62 68.637 4.942 12.272 1.00 1.48 C ATOM 938 O ASP A 62 68.015 5.888 12.713 1.00 1.67 O ATOM 939 CB ASP A 62 69.308 3.026 13.755 1.00 1.51 C ATOM 940 CG ASP A 62 69.364 4.037 14.902 1.00 1.54 C ATOM 941 OD1 ASP A 62 68.576 4.968 14.884 1.00 2.13 O ATOM 942 OD2 ASP A 62 70.194 3.862 15.779 1.00 1.79 O ATOM 0 H ASP A 62 69.005 1.722 11.761 1.00 1.23 H new ATOM 0 HA ASP A 62 67.287 3.515 13.077 1.00 1.43 H new ATOM 0 HB2 ASP A 62 69.011 2.047 14.132 1.00 1.51 H new ATOM 0 HB3 ASP A 62 70.296 2.909 13.310 1.00 1.51 H new ATOM 947 N GLU A 63 69.610 5.110 11.419 1.00 1.41 N ATOM 948 CA GLU A 63 69.977 6.485 10.968 1.00 1.52 C ATOM 949 C GLU A 63 69.348 6.783 9.604 1.00 1.47 C ATOM 950 O GLU A 63 69.120 7.924 9.253 1.00 1.80 O ATOM 951 CB GLU A 63 71.503 6.472 10.862 1.00 1.55 C ATOM 952 CG GLU A 63 72.114 6.670 12.251 1.00 2.11 C ATOM 953 CD GLU A 63 72.063 8.153 12.624 1.00 2.26 C ATOM 954 OE1 GLU A 63 70.966 8.677 12.737 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.120 8.739 12.790 1.00 2.93 O ATOM 0 H GLU A 63 70.167 4.357 11.015 1.00 1.41 H new ATOM 0 HA GLU A 63 69.621 7.253 11.655 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.840 5.527 10.436 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.838 7.262 10.190 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.569 6.080 12.987 1.00 2.11 H new ATOM 0 HG3 GLU A 63 73.145 6.317 12.260 1.00 2.11 H new ATOM 962 N VAL A 64 69.072 5.768 8.832 1.00 1.33 N ATOM 963 CA VAL A 64 68.462 5.999 7.491 1.00 1.29 C ATOM 964 C VAL A 64 66.944 6.170 7.621 1.00 1.21 C ATOM 965 O VAL A 64 66.351 7.024 6.991 1.00 1.50 O ATOM 966 CB VAL A 64 68.841 4.750 6.672 1.00 1.40 C ATOM 967 CG1 VAL A 64 67.610 4.128 5.997 1.00 1.69 C ATOM 968 CG2 VAL A 64 69.848 5.153 5.594 1.00 1.31 C ATOM 0 H VAL A 64 69.242 4.791 9.070 1.00 1.33 H new ATOM 0 HA VAL A 64 68.819 6.909 7.009 1.00 1.29 H new ATOM 0 HB VAL A 64 69.271 4.011 7.349 1.00 1.40 H new ATOM 0 HG11 VAL A 64 67.912 3.249 5.427 1.00 1.69 H new ATOM 0 HG12 VAL A 64 66.886 3.836 6.758 1.00 1.69 H new ATOM 0 HG13 VAL A 64 67.156 4.857 5.326 1.00 1.69 H new ATOM 0 HG21 VAL A 64 70.124 4.276 5.008 1.00 1.31 H new ATOM 0 HG22 VAL A 64 69.401 5.901 4.940 1.00 1.31 H new ATOM 0 HG23 VAL A 64 70.738 5.569 6.065 1.00 1.31 H new ATOM 978 N ASP A 65 66.311 5.363 8.426 1.00 1.27 N ATOM 979 CA ASP A 65 64.833 5.484 8.584 1.00 1.38 C ATOM 980 C ASP A 65 64.472 6.843 9.187 1.00 2.07 C ATOM 981 O ASP A 65 64.081 6.942 10.332 1.00 2.61 O ATOM 982 CB ASP A 65 64.438 4.349 9.530 1.00 1.38 C ATOM 983 CG ASP A 65 63.379 3.473 8.857 1.00 1.66 C ATOM 984 OD1 ASP A 65 63.753 2.643 8.044 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.211 3.649 9.162 1.00 2.59 O ATOM 0 H ASP A 65 66.750 4.627 8.980 1.00 1.27 H new ATOM 0 HA ASP A 65 64.310 5.416 7.630 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.313 3.751 9.784 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.049 4.757 10.463 1.00 1.38 H new ATOM 990 N GLU A 66 64.597 7.892 8.421 1.00 2.65 N ATOM 991 CA GLU A 66 64.258 9.246 8.945 1.00 3.74 C ATOM 992 C GLU A 66 62.932 9.199 9.714 1.00 4.00 C ATOM 993 O GLU A 66 62.674 10.018 10.574 1.00 4.93 O ATOM 994 CB GLU A 66 64.128 10.131 7.704 1.00 4.58 C ATOM 995 CG GLU A 66 65.471 10.188 6.973 1.00 5.25 C ATOM 996 CD GLU A 66 65.513 11.426 6.074 1.00 6.17 C ATOM 997 OE1 GLU A 66 64.976 12.444 6.478 1.00 6.67 O ATOM 998 OE2 GLU A 66 66.081 11.334 5.000 1.00 6.61 O ATOM 0 H GLU A 66 64.920 7.870 7.454 1.00 2.65 H new ATOM 0 HA GLU A 66 65.012 9.622 9.636 1.00 3.74 H new ATOM 0 HB2 GLU A 66 63.358 9.735 7.042 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.816 11.135 7.992 1.00 4.58 H new ATOM 0 HG2 GLU A 66 66.288 10.222 7.694 1.00 5.25 H new ATOM 0 HG3 GLU A 66 65.610 9.287 6.375 1.00 5.25 H new ATOM 1005 N ASP A 67 62.091 8.247 9.411 1.00 3.32 N ATOM 1006 CA ASP A 67 60.785 8.151 10.125 1.00 3.69 C ATOM 1007 C ASP A 67 60.873 7.124 11.257 1.00 3.25 C ATOM 1008 O ASP A 67 59.992 7.023 12.088 1.00 3.49 O ATOM 1009 CB ASP A 67 59.785 7.694 9.062 1.00 3.68 C ATOM 1010 CG ASP A 67 60.305 6.423 8.387 1.00 3.08 C ATOM 1011 OD1 ASP A 67 61.138 5.758 8.982 1.00 2.33 O ATOM 1012 OD2 ASP A 67 59.860 6.135 7.288 1.00 3.83 O ATOM 0 H ASP A 67 62.251 7.533 8.701 1.00 3.32 H new ATOM 0 HA ASP A 67 60.493 9.098 10.579 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.813 7.505 9.518 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.641 8.480 8.321 1.00 3.68 H new ATOM 1017 N GLY A 68 61.931 6.361 11.297 1.00 2.98 N ATOM 1018 CA GLY A 68 62.077 5.342 12.374 1.00 3.17 C ATOM 1019 C GLY A 68 60.941 4.323 12.273 1.00 2.42 C ATOM 1020 O GLY A 68 60.162 4.152 13.190 1.00 3.05 O ATOM 0 H GLY A 68 62.701 6.400 10.629 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.040 4.839 12.284 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.060 5.825 13.351 1.00 3.17 H new ATOM 1024 N SER A 69 60.839 3.644 11.163 1.00 1.46 N ATOM 1025 CA SER A 69 59.752 2.638 11.001 1.00 1.52 C ATOM 1026 C SER A 69 60.343 1.250 10.735 1.00 1.64 C ATOM 1027 O SER A 69 59.655 0.252 10.790 1.00 2.49 O ATOM 1028 CB SER A 69 58.947 3.117 9.794 1.00 2.44 C ATOM 1029 OG SER A 69 59.685 2.857 8.607 1.00 2.71 O ATOM 0 H SER A 69 61.462 3.743 10.361 1.00 1.46 H new ATOM 0 HA SER A 69 59.136 2.551 11.896 1.00 1.52 H new ATOM 0 HB2 SER A 69 57.985 2.606 9.758 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.739 4.183 9.881 1.00 2.44 H new ATOM 0 HG SER A 69 60.594 3.211 8.703 1.00 2.71 H new ATOM 1035 N GLY A 70 61.615 1.182 10.446 1.00 1.28 N ATOM 1036 CA GLY A 70 62.245 -0.140 10.174 1.00 1.43 C ATOM 1037 C GLY A 70 61.787 -0.649 8.808 1.00 1.29 C ATOM 1038 O GLY A 70 61.751 -1.837 8.558 1.00 1.59 O ATOM 0 H GLY A 70 62.243 1.984 10.387 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.331 -0.049 10.195 1.00 1.43 H new ATOM 0 HA3 GLY A 70 61.970 -0.853 10.951 1.00 1.43 H new ATOM 1042 N THR A 71 61.433 0.241 7.921 1.00 0.89 N ATOM 1043 CA THR A 71 60.975 -0.193 6.570 1.00 0.79 C ATOM 1044 C THR A 71 61.667 0.632 5.482 1.00 0.76 C ATOM 1045 O THR A 71 62.183 1.702 5.733 1.00 0.83 O ATOM 1046 CB THR A 71 59.468 0.064 6.562 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.222 1.440 6.814 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.799 -0.784 7.645 1.00 1.08 C ATOM 0 H THR A 71 61.441 1.250 8.073 1.00 0.89 H new ATOM 0 HA THR A 71 61.212 -1.238 6.371 1.00 0.79 H new ATOM 0 HB THR A 71 59.058 -0.205 5.589 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.423 1.642 7.752 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.725 -0.600 7.639 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.988 -1.839 7.449 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.207 -0.517 8.620 1.00 1.08 H new ATOM 1056 N VAL A 72 61.682 0.140 4.273 1.00 0.73 N ATOM 1057 CA VAL A 72 62.343 0.896 3.169 1.00 0.77 C ATOM 1058 C VAL A 72 61.576 0.705 1.858 1.00 0.80 C ATOM 1059 O VAL A 72 61.731 -0.289 1.178 1.00 1.00 O ATOM 1060 CB VAL A 72 63.744 0.294 3.061 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.386 0.722 1.741 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.602 0.789 4.227 1.00 1.13 C ATOM 0 H VAL A 72 61.266 -0.751 4.001 1.00 0.73 H new ATOM 0 HA VAL A 72 62.372 1.968 3.365 1.00 0.77 H new ATOM 0 HB VAL A 72 63.674 -0.793 3.094 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.385 0.292 1.666 1.00 1.13 H new ATOM 0 HG12 VAL A 72 63.776 0.371 0.909 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.456 1.809 1.706 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.601 0.360 4.151 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.670 1.876 4.193 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.147 0.483 5.169 1.00 1.13 H new ATOM 1072 N ASP A 73 60.757 1.653 1.496 1.00 0.77 N ATOM 1073 CA ASP A 73 59.988 1.527 0.224 1.00 0.83 C ATOM 1074 C ASP A 73 60.842 2.022 -0.947 1.00 0.87 C ATOM 1075 O ASP A 73 62.053 2.076 -0.861 1.00 0.87 O ATOM 1076 CB ASP A 73 58.760 2.417 0.411 1.00 0.85 C ATOM 1077 CG ASP A 73 59.206 3.848 0.712 1.00 1.80 C ATOM 1078 OD1 ASP A 73 59.630 4.093 1.829 1.00 2.57 O ATOM 1079 OD2 ASP A 73 59.119 4.676 -0.181 1.00 2.47 O ATOM 0 H ASP A 73 60.586 2.509 2.024 1.00 0.77 H new ATOM 0 HA ASP A 73 59.708 0.497 0.005 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.144 2.399 -0.488 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.144 2.038 1.227 1.00 0.85 H new ATOM 1084 N PHE A 74 60.227 2.385 -2.038 1.00 0.94 N ATOM 1085 CA PHE A 74 61.022 2.876 -3.201 1.00 0.98 C ATOM 1086 C PHE A 74 61.643 4.238 -2.876 1.00 0.86 C ATOM 1087 O PHE A 74 61.400 5.221 -3.547 1.00 0.83 O ATOM 1088 CB PHE A 74 60.024 2.999 -4.353 1.00 1.12 C ATOM 1089 CG PHE A 74 60.668 3.733 -5.509 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.064 3.792 -5.616 1.00 2.22 C ATOM 1091 CD2 PHE A 74 59.866 4.353 -6.474 1.00 1.97 C ATOM 1092 CE1 PHE A 74 62.657 4.473 -6.687 1.00 3.01 C ATOM 1093 CE2 PHE A 74 60.459 5.033 -7.544 1.00 2.84 C ATOM 1094 CZ PHE A 74 61.854 5.094 -7.651 1.00 3.18 C ATOM 0 H PHE A 74 59.217 2.364 -2.176 1.00 0.94 H new ATOM 0 HA PHE A 74 61.842 2.203 -3.452 1.00 0.98 H new ATOM 0 HB2 PHE A 74 59.700 2.009 -4.674 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.134 3.534 -4.021 1.00 1.12 H new ATOM 0 HD1 PHE A 74 62.683 3.312 -4.872 1.00 2.22 H new ATOM 0 HD2 PHE A 74 58.790 4.307 -6.393 1.00 1.97 H new ATOM 0 HE1 PHE A 74 63.733 4.519 -6.769 1.00 3.01 H new ATOM 0 HE2 PHE A 74 59.840 5.511 -8.288 1.00 2.84 H new ATOM 0 HZ PHE A 74 62.310 5.620 -8.477 1.00 3.18 H new ATOM 1104 N ASP A 75 62.444 4.298 -1.849 1.00 0.83 N ATOM 1105 CA ASP A 75 63.090 5.588 -1.472 1.00 0.76 C ATOM 1106 C ASP A 75 64.247 5.316 -0.510 1.00 0.69 C ATOM 1107 O ASP A 75 65.401 5.508 -0.842 1.00 0.65 O ATOM 1108 CB ASP A 75 61.991 6.399 -0.784 1.00 0.81 C ATOM 1109 CG ASP A 75 62.017 7.837 -1.306 1.00 0.99 C ATOM 1110 OD1 ASP A 75 61.425 8.079 -2.345 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.627 8.671 -0.658 1.00 1.57 O ATOM 0 H ASP A 75 62.681 3.506 -1.251 1.00 0.83 H new ATOM 0 HA ASP A 75 63.500 6.120 -2.330 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.017 5.948 -0.976 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.139 6.390 0.296 1.00 0.81 H new ATOM 1116 N GLU A 76 63.950 4.856 0.675 1.00 0.77 N ATOM 1117 CA GLU A 76 65.037 4.557 1.646 1.00 0.78 C ATOM 1118 C GLU A 76 66.004 3.551 1.022 1.00 0.70 C ATOM 1119 O GLU A 76 67.163 3.479 1.379 1.00 0.70 O ATOM 1120 CB GLU A 76 64.334 3.947 2.861 1.00 0.95 C ATOM 1121 CG GLU A 76 63.158 4.836 3.273 1.00 1.51 C ATOM 1122 CD GLU A 76 62.788 4.553 4.730 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.679 4.578 5.563 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.620 4.314 4.987 1.00 1.94 O ATOM 0 H GLU A 76 63.004 4.675 1.011 1.00 0.77 H new ATOM 0 HA GLU A 76 65.612 5.441 1.922 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.979 2.944 2.623 1.00 0.95 H new ATOM 0 HB3 GLU A 76 65.036 3.849 3.689 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.423 5.886 3.152 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.301 4.647 2.626 1.00 1.51 H new ATOM 1131 N PHE A 77 65.531 2.778 0.081 1.00 0.72 N ATOM 1132 CA PHE A 77 66.415 1.779 -0.581 1.00 0.73 C ATOM 1133 C PHE A 77 67.600 2.492 -1.235 1.00 0.67 C ATOM 1134 O PHE A 77 68.740 2.270 -0.883 1.00 0.69 O ATOM 1135 CB PHE A 77 65.538 1.112 -1.643 1.00 0.84 C ATOM 1136 CG PHE A 77 66.246 -0.106 -2.187 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.869 -1.003 -1.309 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.280 -0.339 -3.567 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.525 -2.132 -1.813 1.00 2.03 C ATOM 1140 CE2 PHE A 77 66.938 -1.468 -4.069 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.560 -2.365 -3.193 1.00 1.46 C ATOM 0 H PHE A 77 64.569 2.796 -0.257 1.00 0.72 H new ATOM 0 HA PHE A 77 66.822 1.052 0.121 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.579 0.826 -1.211 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.327 1.814 -2.450 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.843 -0.823 -0.244 1.00 1.83 H new ATOM 0 HD2 PHE A 77 65.799 0.352 -4.244 1.00 1.32 H new ATOM 0 HE1 PHE A 77 68.005 -2.824 -1.137 1.00 2.03 H new ATOM 0 HE2 PHE A 77 66.966 -1.647 -5.134 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.067 -3.236 -3.581 1.00 1.46 H new ATOM 1151 N LEU A 78 67.337 3.355 -2.177 1.00 0.66 N ATOM 1152 CA LEU A 78 68.452 4.088 -2.843 1.00 0.68 C ATOM 1153 C LEU A 78 69.234 4.886 -1.800 1.00 0.62 C ATOM 1154 O LEU A 78 70.344 5.320 -2.036 1.00 0.64 O ATOM 1155 CB LEU A 78 67.777 5.023 -3.851 1.00 0.77 C ATOM 1156 CG LEU A 78 66.778 4.240 -4.709 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.404 5.070 -5.938 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.411 2.922 -5.162 1.00 1.41 C ATOM 0 H LEU A 78 66.402 3.584 -2.514 1.00 0.66 H new ATOM 0 HA LEU A 78 69.158 3.419 -3.334 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.264 5.828 -3.325 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.529 5.488 -4.488 1.00 0.77 H new ATOM 0 HG LEU A 78 65.884 4.030 -4.122 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.693 4.514 -6.550 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.952 6.009 -5.619 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.300 5.279 -6.522 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.698 2.367 -5.772 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.306 3.131 -5.749 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.680 2.328 -4.288 1.00 1.41 H new ATOM 1170 N VAL A 79 68.665 5.072 -0.642 1.00 0.59 N ATOM 1171 CA VAL A 79 69.372 5.831 0.427 1.00 0.61 C ATOM 1172 C VAL A 79 70.301 4.889 1.194 1.00 0.63 C ATOM 1173 O VAL A 79 71.285 5.303 1.775 1.00 0.68 O ATOM 1174 CB VAL A 79 68.264 6.355 1.339 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.885 7.096 2.525 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.373 7.313 0.548 1.00 0.70 C ATOM 0 H VAL A 79 67.738 4.730 -0.389 1.00 0.59 H new ATOM 0 HA VAL A 79 69.985 6.641 0.033 1.00 0.61 H new ATOM 0 HB VAL A 79 67.668 5.520 1.708 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.094 7.470 3.175 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.524 6.414 3.086 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.480 7.933 2.160 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.580 7.690 1.194 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.971 8.148 0.182 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.932 6.785 -0.297 1.00 0.70 H new ATOM 1186 N MET A 80 69.992 3.622 1.196 1.00 0.65 N ATOM 1187 CA MET A 80 70.851 2.643 1.922 1.00 0.72 C ATOM 1188 C MET A 80 72.175 2.444 1.177 1.00 0.71 C ATOM 1189 O MET A 80 73.085 1.809 1.672 1.00 0.76 O ATOM 1190 CB MET A 80 70.044 1.344 1.936 1.00 0.80 C ATOM 1191 CG MET A 80 70.590 0.415 3.022 1.00 1.12 C ATOM 1192 SD MET A 80 69.608 0.608 4.530 1.00 2.17 S ATOM 1193 CE MET A 80 68.413 -0.707 4.191 1.00 2.77 C ATOM 0 H MET A 80 69.181 3.221 0.726 1.00 0.65 H new ATOM 0 HA MET A 80 71.101 2.980 2.928 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.992 1.559 2.122 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.102 0.857 0.963 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.554 -0.620 2.682 1.00 1.12 H new ATOM 0 HG3 MET A 80 71.635 0.648 3.224 1.00 1.12 H new ATOM 0 HE1 MET A 80 67.580 -0.631 4.890 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.041 -0.606 3.171 1.00 2.77 H new ATOM 0 HE3 MET A 80 68.897 -1.677 4.307 1.00 2.77 H new ATOM 1203 N MET A 81 72.295 2.992 -0.002 1.00 0.69 N ATOM 1204 CA MET A 81 73.572 2.839 -0.766 1.00 0.74 C ATOM 1205 C MET A 81 74.355 4.152 -0.732 1.00 0.75 C ATOM 1206 O MET A 81 75.564 4.168 -0.838 1.00 0.82 O ATOM 1207 CB MET A 81 73.212 2.464 -2.222 1.00 0.73 C ATOM 1208 CG MET A 81 71.695 2.359 -2.434 1.00 0.89 C ATOM 1209 SD MET A 81 71.051 0.949 -1.498 1.00 1.41 S ATOM 1210 CE MET A 81 71.988 -0.340 -2.355 1.00 1.21 C ATOM 0 H MET A 81 71.570 3.536 -0.469 1.00 0.69 H new ATOM 0 HA MET A 81 74.194 2.061 -0.323 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.621 3.213 -2.900 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.680 1.513 -2.477 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.207 3.278 -2.109 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.473 2.238 -3.494 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.516 -1.307 -2.184 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.005 -0.128 -3.424 1.00 1.21 H new ATOM 0 HE3 MET A 81 73.009 -0.362 -1.974 1.00 1.21 H new ATOM 1220 N VAL A 82 73.674 5.256 -0.577 1.00 0.72 N ATOM 1221 CA VAL A 82 74.386 6.564 -0.527 1.00 0.78 C ATOM 1222 C VAL A 82 75.259 6.632 0.728 1.00 0.81 C ATOM 1223 O VAL A 82 76.254 7.329 0.770 1.00 0.93 O ATOM 1224 CB VAL A 82 73.279 7.617 -0.469 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.883 8.972 -0.100 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.601 7.717 -1.838 1.00 1.36 C ATOM 0 H VAL A 82 72.660 5.308 -0.483 1.00 0.72 H new ATOM 0 HA VAL A 82 75.042 6.714 -1.384 1.00 0.78 H new ATOM 0 HB VAL A 82 72.543 7.331 0.283 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.094 9.723 -0.059 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.368 8.901 0.874 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.618 9.259 -0.852 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.811 8.467 -1.799 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.337 8.004 -2.589 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.171 6.751 -2.102 1.00 1.36 H new ATOM 1236 N ARG A 83 74.896 5.905 1.749 1.00 0.79 N ATOM 1237 CA ARG A 83 75.704 5.918 3.003 1.00 0.85 C ATOM 1238 C ARG A 83 76.691 4.748 2.999 1.00 0.90 C ATOM 1239 O ARG A 83 77.681 4.753 3.704 1.00 1.00 O ATOM 1240 CB ARG A 83 74.688 5.757 4.133 1.00 0.87 C ATOM 1241 CG ARG A 83 74.549 7.080 4.888 1.00 1.07 C ATOM 1242 CD ARG A 83 74.040 6.807 6.305 1.00 0.92 C ATOM 1243 NE ARG A 83 75.218 7.037 7.187 1.00 1.62 N ATOM 1244 CZ ARG A 83 75.333 8.160 7.843 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.895 9.270 7.316 1.00 2.49 N ATOM 1246 NH2 ARG A 83 75.885 8.172 9.026 1.00 2.14 N ATOM 0 H ARG A 83 74.074 5.302 1.770 1.00 0.79 H new ATOM 0 HA ARG A 83 76.288 6.832 3.111 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.722 5.454 3.728 1.00 0.87 H new ATOM 0 HB3 ARG A 83 75.008 4.969 4.815 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.511 7.591 4.928 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.859 7.740 4.363 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.217 7.473 6.564 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.668 5.787 6.401 1.00 0.92 H new ATOM 0 HE ARG A 83 75.935 6.317 7.279 1.00 1.62 H new ATOM 0 HH11 ARG A 83 74.463 9.260 6.392 1.00 2.49 H new ATOM 0 HH12 ARG A 83 74.984 10.148 7.828 1.00 2.49 H new ATOM 0 HH21 ARG A 83 76.227 7.304 9.438 1.00 2.14 H new ATOM 0 HH22 ARG A 83 75.975 9.050 9.538 1.00 2.14 H new ATOM 1260 N SER A 84 76.428 3.743 2.208 1.00 0.92 N ATOM 1261 CA SER A 84 77.350 2.572 2.156 1.00 1.01 C ATOM 1262 C SER A 84 78.284 2.688 0.949 1.00 1.06 C ATOM 1263 O SER A 84 79.468 2.431 1.041 1.00 1.38 O ATOM 1264 CB SER A 84 76.437 1.356 2.014 1.00 1.04 C ATOM 1265 OG SER A 84 76.883 0.329 2.890 1.00 1.52 O ATOM 0 H SER A 84 75.615 3.682 1.596 1.00 0.92 H new ATOM 0 HA SER A 84 77.983 2.504 3.041 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.409 1.630 2.250 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.444 1.000 0.984 1.00 1.04 H new ATOM 0 HG SER A 84 76.298 -0.452 2.803 1.00 1.52 H new ATOM 1271 N MET A 85 77.761 3.073 -0.184 1.00 0.00 N ATOM 1272 CA MET A 85 78.621 3.203 -1.397 1.00 0.00 C ATOM 1273 C MET A 85 79.850 4.063 -1.088 1.00 0.00 C ATOM 1274 O MET A 85 80.945 3.772 -1.525 1.00 0.00 O ATOM 1275 CB MET A 85 77.735 3.887 -2.438 1.00 0.00 C ATOM 1276 CG MET A 85 76.668 2.905 -2.927 1.00 0.00 C ATOM 1277 SD MET A 85 76.894 2.602 -4.697 1.00 0.00 S ATOM 1278 CE MET A 85 75.399 3.449 -5.263 1.00 0.00 C ATOM 0 H MET A 85 76.777 3.303 -0.323 1.00 0.00 H new ATOM 0 HA MET A 85 78.991 2.239 -1.746 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.262 4.768 -2.005 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.340 4.230 -3.277 1.00 0.00 H new ATOM 0 HG2 MET A 85 76.740 1.968 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 85 75.673 3.309 -2.740 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.455 3.605 -6.340 1.00 0.00 H new ATOM 0 HE2 MET A 85 74.525 2.840 -5.029 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.315 4.413 -4.761 1.00 0.00 H new