USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -78:sc= 1.58 USER MOD Set 1.2: A 71 THR OG1 : rot -74:sc= 1.14 USER MOD Set 2.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.876! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.898 X(o=-0.9,f=-0.51) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0.305 (180deg=0.128) USER MOD Single : A 18 ASN : amide:sc= 1.19 K(o=1.2,f=-0.095) USER MOD Single : A 21 LYS NZ :NH3+ 144:sc= 1.6 (180deg=0.0454!) USER MOD Single : A 35 SER OG : rot -48:sc= 0.127! USER MOD Single : A 37 SER OG : rot 180:sc= 0.689 USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.35! 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 -112:sc= -0.373 (180deg=-1.12) USER MOD Single : A 47 MET CE :methyl 177:sc= -2.68! (180deg=-3.01!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.481 F(o=-1.3,f=-0.48) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -154:sc= -2.61! (180deg=-6.69!) USER MOD Single : A 85 MET CE :methyl -179:sc= 0 (180deg=-0.00205) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 70.024 13.225 0.687 1.00 0.88 N ATOM 45 CA TYR A 5 70.564 12.015 0.000 1.00 0.86 C ATOM 46 C TYR A 5 69.989 11.907 -1.414 1.00 0.78 C ATOM 47 O TYR A 5 70.685 11.583 -2.355 1.00 0.79 O ATOM 48 CB TYR A 5 70.100 10.834 0.853 1.00 1.02 C ATOM 49 CG TYR A 5 70.339 11.138 2.314 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.645 11.174 2.817 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.254 11.383 3.163 1.00 1.94 C ATOM 52 CE1 TYR A 5 71.865 11.454 4.171 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.475 11.663 4.516 1.00 2.20 C ATOM 54 CZ TYR A 5 70.779 11.698 5.021 1.00 1.77 C ATOM 55 OH TYR A 5 70.996 11.975 6.355 1.00 2.07 O ATOM 0 HA TYR A 5 71.649 12.049 -0.098 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.041 10.641 0.680 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.639 9.931 0.566 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.482 10.986 2.161 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.247 11.356 2.774 1.00 1.94 H new ATOM 0 HE1 TYR A 5 72.872 11.482 4.560 1.00 1.80 H new ATOM 0 HE2 TYR A 5 68.638 11.852 5.171 1.00 2.20 H new ATOM 0 HH TYR A 5 70.137 12.121 6.803 1.00 2.07 H new ATOM 65 N LYS A 6 68.720 12.174 -1.569 1.00 0.89 N ATOM 66 CA LYS A 6 68.100 12.084 -2.921 1.00 1.01 C ATOM 67 C LYS A 6 69.007 12.744 -3.962 1.00 0.98 C ATOM 68 O LYS A 6 69.225 12.216 -5.034 1.00 1.00 O ATOM 69 CB LYS A 6 66.778 12.842 -2.798 1.00 1.28 C ATOM 70 CG LYS A 6 66.176 13.055 -4.189 1.00 1.60 C ATOM 71 CD LYS A 6 65.869 11.697 -4.825 1.00 2.04 C ATOM 72 CE LYS A 6 64.616 11.102 -4.179 1.00 2.60 C ATOM 73 NZ LYS A 6 63.736 10.728 -5.321 1.00 3.24 N ATOM 0 H LYS A 6 68.087 12.450 -0.818 1.00 0.89 H new ATOM 0 HA LYS A 6 67.950 11.053 -3.242 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.083 12.282 -2.172 1.00 1.28 H new ATOM 0 HB3 LYS A 6 66.942 13.803 -2.311 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.265 13.649 -4.116 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.871 13.614 -4.816 1.00 1.60 H new ATOM 0 HD2 LYS A 6 65.718 11.812 -5.898 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.715 11.022 -4.693 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.861 10.233 -3.568 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.128 11.824 -3.524 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 62.855 10.312 -4.958 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 63.514 11.576 -5.880 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.224 10.034 -5.923 1.00 3.24 H new ATOM 87 N ALA A 7 69.541 13.893 -3.652 1.00 1.07 N ATOM 88 CA ALA A 7 70.437 14.584 -4.622 1.00 1.20 C ATOM 89 C ALA A 7 71.565 13.644 -5.055 1.00 1.08 C ATOM 90 O ALA A 7 72.059 13.719 -6.163 1.00 1.19 O ATOM 91 CB ALA A 7 70.999 15.782 -3.856 1.00 1.36 C ATOM 0 H ALA A 7 69.396 14.383 -2.769 1.00 1.07 H new ATOM 0 HA ALA A 7 69.913 14.890 -5.527 1.00 1.20 H new ATOM 0 HB1 ALA A 7 71.671 16.345 -4.503 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.180 16.426 -3.536 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.547 15.430 -2.982 1.00 1.36 H new ATOM 97 N ALA A 8 71.974 12.759 -4.188 1.00 0.95 N ATOM 98 CA ALA A 8 73.068 11.812 -4.548 1.00 0.96 C ATOM 99 C ALA A 8 72.514 10.657 -5.387 1.00 0.90 C ATOM 100 O ALA A 8 73.076 10.286 -6.397 1.00 1.01 O ATOM 101 CB ALA A 8 73.600 11.298 -3.210 1.00 0.98 C ATOM 0 H ALA A 8 71.598 12.650 -3.246 1.00 0.95 H new ATOM 0 HA ALA A 8 73.849 12.287 -5.142 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.411 10.592 -3.388 1.00 0.98 H new ATOM 0 HB2 ALA A 8 73.971 12.136 -2.620 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.798 10.799 -2.667 1.00 0.98 H new ATOM 107 N VAL A 9 71.413 10.090 -4.977 1.00 0.83 N ATOM 108 CA VAL A 9 70.821 8.962 -5.752 1.00 0.82 C ATOM 109 C VAL A 9 70.349 9.459 -7.120 1.00 0.97 C ATOM 110 O VAL A 9 70.361 8.735 -8.095 1.00 1.02 O ATOM 111 CB VAL A 9 69.634 8.490 -4.914 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.789 7.511 -5.729 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.147 7.794 -3.652 1.00 0.70 C ATOM 0 H VAL A 9 70.897 10.359 -4.139 1.00 0.83 H new ATOM 0 HA VAL A 9 71.536 8.160 -5.933 1.00 0.82 H new ATOM 0 HB VAL A 9 69.023 9.348 -4.634 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.943 7.175 -5.130 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.423 8.007 -6.628 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.398 6.652 -6.011 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.301 7.457 -3.053 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.758 6.936 -3.932 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.748 8.493 -3.070 1.00 0.70 H new ATOM 123 N GLU A 10 69.934 10.693 -7.197 1.00 1.12 N ATOM 124 CA GLU A 10 69.461 11.242 -8.499 1.00 1.32 C ATOM 125 C GLU A 10 70.626 11.325 -9.489 1.00 1.37 C ATOM 126 O GLU A 10 70.434 11.500 -10.676 1.00 1.56 O ATOM 127 CB GLU A 10 68.937 12.640 -8.169 1.00 1.51 C ATOM 128 CG GLU A 10 67.413 12.599 -8.043 1.00 1.80 C ATOM 129 CD GLU A 10 66.784 12.683 -9.436 1.00 2.02 C ATOM 130 OE1 GLU A 10 67.029 13.666 -10.116 1.00 2.28 O ATOM 131 OE2 GLU A 10 66.067 11.765 -9.797 1.00 2.61 O ATOM 0 H GLU A 10 69.902 11.346 -6.414 1.00 1.12 H new ATOM 0 HA GLU A 10 68.696 10.618 -8.960 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.380 12.995 -7.238 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.229 13.343 -8.949 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.103 11.679 -7.547 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.066 13.427 -7.425 1.00 1.80 H new ATOM 138 N GLN A 11 71.832 11.199 -9.008 1.00 1.29 N ATOM 139 CA GLN A 11 73.009 11.269 -9.919 1.00 1.45 C ATOM 140 C GLN A 11 73.556 9.864 -10.187 1.00 1.35 C ATOM 141 O GLN A 11 74.488 9.685 -10.946 1.00 1.53 O ATOM 142 CB GLN A 11 74.041 12.111 -9.166 1.00 1.61 C ATOM 143 CG GLN A 11 73.769 13.596 -9.417 1.00 2.13 C ATOM 144 CD GLN A 11 74.095 14.394 -8.153 1.00 2.44 C ATOM 145 OE1 GLN A 11 73.500 15.424 -7.902 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.020 13.961 -7.341 1.00 2.71 N ATOM 0 H GLN A 11 72.053 11.051 -8.023 1.00 1.29 H new ATOM 0 HA GLN A 11 72.757 11.701 -10.887 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.992 11.897 -8.098 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.047 11.854 -9.497 1.00 1.61 H new ATOM 0 HG2 GLN A 11 74.374 13.952 -10.251 1.00 2.13 H new ATOM 0 HG3 GLN A 11 72.725 13.744 -9.694 1.00 2.13 H new ATOM 0 HE21 GLN A 11 75.519 13.097 -7.551 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.244 14.487 -6.496 1.00 2.71 H new ATOM 155 N LEU A 12 72.984 8.866 -9.570 1.00 1.18 N ATOM 156 CA LEU A 12 73.473 7.475 -9.791 1.00 1.21 C ATOM 157 C LEU A 12 73.484 7.152 -11.287 1.00 1.11 C ATOM 158 O LEU A 12 73.177 7.986 -12.115 1.00 1.25 O ATOM 159 CB LEU A 12 72.474 6.576 -9.059 1.00 1.32 C ATOM 160 CG LEU A 12 72.977 6.278 -7.644 1.00 1.38 C ATOM 161 CD1 LEU A 12 72.074 5.227 -6.998 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.409 5.742 -7.707 1.00 1.68 C ATOM 0 H LEU A 12 72.200 8.953 -8.923 1.00 1.18 H new ATOM 0 HA LEU A 12 74.490 7.335 -9.424 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.500 7.063 -9.013 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.339 5.645 -9.609 1.00 1.32 H new ATOM 0 HG LEU A 12 72.959 7.194 -7.054 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.429 5.012 -5.990 1.00 1.49 H new ATOM 0 HD12 LEU A 12 71.053 5.605 -6.950 1.00 1.49 H new ATOM 0 HD13 LEU A 12 72.096 4.314 -7.593 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.763 5.531 -6.698 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.429 4.826 -8.297 1.00 1.68 H new ATOM 0 HD23 LEU A 12 75.056 6.487 -8.171 1.00 1.68 H new ATOM 174 N THR A 13 73.834 5.945 -11.639 1.00 1.05 N ATOM 175 CA THR A 13 73.863 5.568 -13.081 1.00 1.13 C ATOM 176 C THR A 13 72.704 4.620 -13.401 1.00 0.94 C ATOM 177 O THR A 13 72.234 3.889 -12.552 1.00 0.87 O ATOM 178 CB THR A 13 75.204 4.858 -13.277 1.00 1.38 C ATOM 179 OG1 THR A 13 75.398 3.917 -12.230 1.00 1.89 O ATOM 180 CG2 THR A 13 76.335 5.888 -13.256 1.00 1.68 C ATOM 0 H THR A 13 74.101 5.204 -10.991 1.00 1.05 H new ATOM 0 HA THR A 13 73.759 6.432 -13.737 1.00 1.13 H new ATOM 0 HB THR A 13 75.205 4.340 -14.236 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.256 3.460 -12.355 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.290 5.382 -13.396 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.185 6.609 -14.060 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.336 6.408 -12.298 1.00 1.68 H new ATOM 188 N GLU A 14 72.239 4.628 -14.620 1.00 0.94 N ATOM 189 CA GLU A 14 71.110 3.728 -14.994 1.00 0.90 C ATOM 190 C GLU A 14 71.455 2.276 -14.651 1.00 0.82 C ATOM 191 O GLU A 14 70.585 1.441 -14.500 1.00 0.82 O ATOM 192 CB GLU A 14 70.950 3.900 -16.504 1.00 1.05 C ATOM 193 CG GLU A 14 69.564 3.418 -16.929 1.00 2.10 C ATOM 194 CD GLU A 14 69.359 3.699 -18.419 1.00 2.64 C ATOM 195 OE1 GLU A 14 69.144 4.850 -18.759 1.00 2.91 O ATOM 196 OE2 GLU A 14 69.421 2.758 -19.194 1.00 3.31 O ATOM 0 H GLU A 14 72.591 5.218 -15.373 1.00 0.94 H new ATOM 0 HA GLU A 14 70.193 3.971 -14.457 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.082 4.947 -16.777 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.720 3.334 -17.029 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.463 2.351 -16.732 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.796 3.924 -16.344 1.00 2.10 H new ATOM 203 N GLU A 15 72.717 1.968 -14.529 1.00 0.92 N ATOM 204 CA GLU A 15 73.114 0.570 -14.195 1.00 1.01 C ATOM 205 C GLU A 15 72.975 0.328 -12.691 1.00 0.90 C ATOM 206 O GLU A 15 72.640 -0.756 -12.256 1.00 0.89 O ATOM 207 CB GLU A 15 74.577 0.462 -14.624 1.00 1.23 C ATOM 208 CG GLU A 15 74.663 0.477 -16.151 1.00 1.92 C ATOM 209 CD GLU A 15 75.684 -0.565 -16.616 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.846 -0.214 -16.736 1.00 2.80 O ATOM 211 OE2 GLU A 15 75.286 -1.694 -16.845 1.00 2.90 O ATOM 0 H GLU A 15 73.490 2.623 -14.646 1.00 0.92 H new ATOM 0 HA GLU A 15 72.488 -0.169 -14.694 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.151 1.290 -14.209 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.015 -0.457 -14.233 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.686 0.262 -16.583 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.954 1.468 -16.500 1.00 1.92 H new ATOM 218 N GLN A 16 73.226 1.331 -11.893 1.00 0.89 N ATOM 219 CA GLN A 16 73.102 1.156 -10.418 1.00 0.87 C ATOM 220 C GLN A 16 71.648 1.351 -9.985 1.00 0.68 C ATOM 221 O GLN A 16 71.162 0.690 -9.089 1.00 0.67 O ATOM 222 CB GLN A 16 73.992 2.243 -9.814 1.00 0.97 C ATOM 223 CG GLN A 16 74.947 1.615 -8.798 1.00 1.77 C ATOM 224 CD GLN A 16 76.301 1.358 -9.462 1.00 2.15 C ATOM 225 OE1 GLN A 16 76.363 0.985 -10.616 1.00 2.42 O ATOM 226 NE2 GLN A 16 77.396 1.541 -8.775 1.00 2.61 N ATOM 0 H GLN A 16 73.511 2.262 -12.198 1.00 0.89 H new ATOM 0 HA GLN A 16 73.400 0.159 -10.093 1.00 0.87 H new ATOM 0 HB2 GLN A 16 74.558 2.743 -10.600 1.00 0.97 H new ATOM 0 HB3 GLN A 16 73.378 3.003 -9.331 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.070 2.277 -7.941 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.531 0.680 -8.422 1.00 1.77 H new ATOM 0 HE21 GLN A 16 77.344 1.854 -7.806 1.00 2.61 H new ATOM 0 HE22 GLN A 16 78.304 1.371 -9.208 1.00 2.61 H new ATOM 235 N LYS A 17 70.949 2.253 -10.619 1.00 0.63 N ATOM 236 CA LYS A 17 69.526 2.489 -10.246 1.00 0.62 C ATOM 237 C LYS A 17 68.674 1.281 -10.642 1.00 0.60 C ATOM 238 O LYS A 17 67.569 1.104 -10.165 1.00 0.66 O ATOM 239 CB LYS A 17 69.108 3.724 -11.045 1.00 0.74 C ATOM 240 CG LYS A 17 67.717 4.183 -10.598 1.00 1.21 C ATOM 241 CD LYS A 17 67.673 4.293 -9.071 1.00 1.31 C ATOM 242 CE LYS A 17 68.797 5.215 -8.590 1.00 1.43 C ATOM 243 NZ LYS A 17 68.350 6.586 -8.964 1.00 2.06 N ATOM 0 H LYS A 17 71.302 2.836 -11.378 1.00 0.63 H new ATOM 0 HA LYS A 17 69.396 2.635 -9.174 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.831 4.526 -10.897 1.00 0.74 H new ATOM 0 HB3 LYS A 17 69.100 3.494 -12.110 1.00 0.74 H new ATOM 0 HG2 LYS A 17 67.480 5.147 -11.048 1.00 1.21 H new ATOM 0 HG3 LYS A 17 66.962 3.476 -10.943 1.00 1.21 H new ATOM 0 HD2 LYS A 17 66.707 4.684 -8.752 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.781 3.306 -8.622 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.947 5.128 -7.514 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.745 4.964 -9.066 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.988 7.288 -8.537 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.368 6.687 -9.999 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.382 6.742 -8.618 1.00 2.06 H new ATOM 257 N ASN A 18 69.177 0.450 -11.513 1.00 0.70 N ATOM 258 CA ASN A 18 68.398 -0.745 -11.945 1.00 0.85 C ATOM 259 C ASN A 18 68.517 -1.862 -10.904 1.00 0.70 C ATOM 260 O ASN A 18 67.531 -2.378 -10.418 1.00 0.66 O ATOM 261 CB ASN A 18 69.036 -1.174 -13.267 1.00 1.11 C ATOM 262 CG ASN A 18 68.082 -0.862 -14.422 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.005 -1.419 -14.502 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.434 0.010 -15.327 1.00 2.13 N ATOM 0 H ASN A 18 70.096 0.547 -11.945 1.00 0.70 H new ATOM 0 HA ASN A 18 67.336 -0.528 -12.055 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.982 -0.652 -13.412 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.260 -2.240 -13.245 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.805 0.224 -16.101 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.338 0.478 -15.260 1.00 2.13 H new ATOM 271 N GLU A 19 69.718 -2.242 -10.561 1.00 0.76 N ATOM 272 CA GLU A 19 69.898 -3.329 -9.555 1.00 0.79 C ATOM 273 C GLU A 19 69.122 -3.001 -8.277 1.00 0.65 C ATOM 274 O GLU A 19 68.364 -3.808 -7.777 1.00 0.66 O ATOM 275 CB GLU A 19 71.401 -3.371 -9.276 1.00 0.98 C ATOM 276 CG GLU A 19 71.939 -4.768 -9.595 1.00 1.21 C ATOM 277 CD GLU A 19 73.459 -4.706 -9.757 1.00 1.82 C ATOM 278 OE1 GLU A 19 74.018 -3.648 -9.521 1.00 2.44 O ATOM 279 OE2 GLU A 19 74.037 -5.719 -10.116 1.00 2.53 O ATOM 0 H GLU A 19 70.582 -1.847 -10.933 1.00 0.76 H new ATOM 0 HA GLU A 19 69.526 -4.288 -9.915 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.915 -2.624 -9.881 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.595 -3.124 -8.232 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.676 -5.461 -8.796 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.481 -5.146 -10.509 1.00 1.21 H new ATOM 286 N PHE A 20 69.304 -1.825 -7.743 1.00 0.67 N ATOM 287 CA PHE A 20 68.575 -1.451 -6.497 1.00 0.75 C ATOM 288 C PHE A 20 67.064 -1.470 -6.743 1.00 0.66 C ATOM 289 O PHE A 20 66.325 -2.172 -6.081 1.00 0.79 O ATOM 290 CB PHE A 20 69.046 -0.034 -6.169 1.00 0.97 C ATOM 291 CG PHE A 20 70.553 -0.011 -6.053 1.00 1.44 C ATOM 292 CD1 PHE A 20 71.254 -1.183 -5.740 1.00 2.35 C ATOM 293 CD2 PHE A 20 71.250 1.186 -6.260 1.00 2.24 C ATOM 294 CE1 PHE A 20 72.649 -1.158 -5.634 1.00 3.36 C ATOM 295 CE2 PHE A 20 72.645 1.211 -6.154 1.00 3.29 C ATOM 296 CZ PHE A 20 73.346 0.040 -5.840 1.00 3.69 C ATOM 0 H PHE A 20 69.925 -1.107 -8.115 1.00 0.67 H new ATOM 0 HA PHE A 20 68.774 -2.145 -5.680 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.721 0.657 -6.947 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.595 0.302 -5.236 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.717 -2.106 -5.580 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.711 2.090 -6.501 1.00 2.24 H new ATOM 0 HE1 PHE A 20 73.189 -2.062 -5.393 1.00 3.36 H new ATOM 0 HE2 PHE A 20 73.182 2.134 -6.315 1.00 3.29 H new ATOM 0 HZ PHE A 20 74.423 0.060 -5.757 1.00 3.69 H new ATOM 306 N LYS A 21 66.599 -0.704 -7.692 1.00 0.60 N ATOM 307 CA LYS A 21 65.138 -0.678 -7.981 1.00 0.65 C ATOM 308 C LYS A 21 64.664 -2.066 -8.424 1.00 0.57 C ATOM 309 O LYS A 21 63.615 -2.530 -8.026 1.00 0.57 O ATOM 310 CB LYS A 21 64.984 0.333 -9.117 1.00 0.78 C ATOM 311 CG LYS A 21 63.540 0.331 -9.616 1.00 1.27 C ATOM 312 CD LYS A 21 63.392 1.353 -10.744 1.00 1.58 C ATOM 313 CE LYS A 21 63.500 2.767 -10.169 1.00 2.42 C ATOM 314 NZ LYS A 21 62.092 3.201 -9.952 1.00 2.88 N ATOM 0 H LYS A 21 67.168 -0.095 -8.280 1.00 0.60 H new ATOM 0 HA LYS A 21 64.544 -0.405 -7.109 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.257 1.329 -8.770 1.00 0.78 H new ATOM 0 HB3 LYS A 21 65.661 0.083 -9.934 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.268 -0.663 -9.972 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.861 0.574 -8.799 1.00 1.27 H new ATOM 0 HD2 LYS A 21 64.165 1.195 -11.496 1.00 1.58 H new ATOM 0 HD3 LYS A 21 62.431 1.224 -11.242 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.063 2.772 -9.236 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.018 3.435 -10.857 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 62.036 3.781 -9.091 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 61.772 3.761 -10.768 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 61.483 2.364 -9.846 1.00 2.88 H new ATOM 328 N ALA A 22 65.433 -2.732 -9.240 1.00 0.59 N ATOM 329 CA ALA A 22 65.029 -4.090 -9.703 1.00 0.62 C ATOM 330 C ALA A 22 64.953 -5.046 -8.510 1.00 0.50 C ATOM 331 O ALA A 22 63.919 -5.619 -8.228 1.00 0.50 O ATOM 332 CB ALA A 22 66.131 -4.524 -10.671 1.00 0.76 C ATOM 0 H ALA A 22 66.323 -2.395 -9.606 1.00 0.59 H new ATOM 0 HA ALA A 22 64.048 -4.093 -10.179 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.906 -5.518 -11.057 1.00 0.76 H new ATOM 0 HB2 ALA A 22 66.187 -3.817 -11.499 1.00 0.76 H new ATOM 0 HB3 ALA A 22 67.087 -4.546 -10.148 1.00 0.76 H new ATOM 338 N ALA A 23 66.037 -5.220 -7.804 1.00 0.50 N ATOM 339 CA ALA A 23 66.016 -6.136 -6.629 1.00 0.53 C ATOM 340 C ALA A 23 64.772 -5.863 -5.781 1.00 0.46 C ATOM 341 O ALA A 23 64.198 -6.759 -5.194 1.00 0.52 O ATOM 342 CB ALA A 23 67.286 -5.804 -5.844 1.00 0.64 C ATOM 0 H ALA A 23 66.933 -4.769 -7.989 1.00 0.50 H new ATOM 0 HA ALA A 23 65.983 -7.186 -6.919 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.344 -6.439 -4.960 1.00 0.64 H new ATOM 0 HB2 ALA A 23 68.159 -5.978 -6.473 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.262 -4.758 -5.538 1.00 0.64 H new ATOM 348 N PHE A 24 64.350 -4.630 -5.718 1.00 0.47 N ATOM 349 CA PHE A 24 63.140 -4.293 -4.916 1.00 0.57 C ATOM 350 C PHE A 24 61.911 -4.985 -5.506 1.00 0.48 C ATOM 351 O PHE A 24 61.103 -5.552 -4.798 1.00 0.51 O ATOM 352 CB PHE A 24 63.004 -2.772 -5.029 1.00 0.77 C ATOM 353 CG PHE A 24 61.807 -2.308 -4.231 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.514 -2.647 -4.646 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.993 -1.540 -3.076 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.406 -2.217 -3.907 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.885 -1.110 -2.335 1.00 1.62 C ATOM 358 CZ PHE A 24 59.591 -1.449 -2.750 1.00 1.25 C ATOM 0 H PHE A 24 64.792 -3.840 -6.188 1.00 0.47 H new ATOM 0 HA PHE A 24 63.224 -4.620 -3.880 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.909 -2.288 -4.661 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.891 -2.484 -6.074 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.371 -3.241 -5.537 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.991 -1.279 -2.756 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.408 -2.477 -4.229 1.00 1.72 H new ATOM 0 HE2 PHE A 24 61.028 -0.517 -1.444 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.736 -1.119 -2.178 1.00 1.25 H new ATOM 368 N ASP A 25 61.763 -4.941 -6.802 1.00 0.45 N ATOM 369 CA ASP A 25 60.582 -5.592 -7.442 1.00 0.53 C ATOM 370 C ASP A 25 60.708 -7.117 -7.381 1.00 0.52 C ATOM 371 O ASP A 25 59.792 -7.837 -7.724 1.00 0.60 O ATOM 372 CB ASP A 25 60.606 -5.112 -8.893 1.00 0.66 C ATOM 373 CG ASP A 25 60.393 -3.598 -8.933 1.00 0.98 C ATOM 374 OD1 ASP A 25 60.521 -2.974 -7.893 1.00 1.52 O ATOM 375 OD2 ASP A 25 60.104 -3.089 -10.003 1.00 1.55 O ATOM 0 H ASP A 25 62.408 -4.483 -7.446 1.00 0.45 H new ATOM 0 HA ASP A 25 59.650 -5.335 -6.938 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.559 -5.368 -9.356 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.827 -5.615 -9.466 1.00 0.66 H new ATOM 380 N ILE A 26 61.835 -7.616 -6.950 1.00 0.50 N ATOM 381 CA ILE A 26 62.009 -9.095 -6.875 1.00 0.63 C ATOM 382 C ILE A 26 62.053 -9.553 -5.414 1.00 0.70 C ATOM 383 O ILE A 26 62.016 -10.733 -5.125 1.00 0.94 O ATOM 384 CB ILE A 26 63.345 -9.372 -7.563 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.347 -8.731 -8.952 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.548 -10.881 -7.700 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.776 -8.701 -9.495 1.00 0.69 C ATOM 0 H ILE A 26 62.639 -7.066 -6.648 1.00 0.50 H new ATOM 0 HA ILE A 26 61.186 -9.630 -7.349 1.00 0.63 H new ATOM 0 HB ILE A 26 64.153 -8.950 -6.966 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.702 -9.295 -9.626 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.945 -7.719 -8.898 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.501 -11.077 -8.191 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.548 -11.339 -6.711 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.739 -11.304 -8.296 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.780 -8.245 -10.485 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.408 -8.119 -8.825 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.161 -9.719 -9.563 1.00 0.69 H new ATOM 399 N PHE A 27 62.132 -8.633 -4.492 1.00 0.61 N ATOM 400 CA PHE A 27 62.181 -9.025 -3.055 1.00 0.79 C ATOM 401 C PHE A 27 60.935 -8.519 -2.322 1.00 0.76 C ATOM 402 O PHE A 27 60.589 -9.002 -1.262 1.00 1.03 O ATOM 403 CB PHE A 27 63.440 -8.357 -2.503 1.00 0.91 C ATOM 404 CG PHE A 27 64.622 -9.277 -2.701 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.701 -10.476 -1.985 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.637 -8.930 -3.601 1.00 2.23 C ATOM 407 CE1 PHE A 27 65.796 -11.330 -2.169 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.731 -9.783 -3.785 1.00 3.07 C ATOM 409 CZ PHE A 27 66.811 -10.984 -3.069 1.00 3.21 C ATOM 0 H PHE A 27 62.165 -7.629 -4.671 1.00 0.61 H new ATOM 0 HA PHE A 27 62.205 -10.107 -2.924 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.614 -7.408 -3.010 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.312 -8.133 -1.444 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.918 -10.743 -1.291 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.576 -8.004 -4.153 1.00 2.23 H new ATOM 0 HE1 PHE A 27 65.857 -12.256 -1.616 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.514 -9.515 -4.479 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.655 -11.643 -3.211 1.00 3.21 H new ATOM 419 N VAL A 28 60.254 -7.554 -2.878 1.00 0.63 N ATOM 420 CA VAL A 28 59.031 -7.030 -2.210 1.00 0.65 C ATOM 421 C VAL A 28 57.864 -7.992 -2.448 1.00 0.65 C ATOM 422 O VAL A 28 56.820 -7.881 -1.837 1.00 0.74 O ATOM 423 CB VAL A 28 58.787 -5.660 -2.857 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.285 -5.385 -2.992 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.418 -4.580 -1.978 1.00 1.47 C ATOM 0 H VAL A 28 60.492 -7.107 -3.764 1.00 0.63 H new ATOM 0 HA VAL A 28 59.136 -6.938 -1.129 1.00 0.65 H new ATOM 0 HB VAL A 28 59.234 -5.652 -3.851 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.134 -4.409 -3.453 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.829 -6.155 -3.614 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.823 -5.396 -2.005 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.251 -3.601 -2.428 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.964 -4.606 -0.987 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.489 -4.761 -1.891 1.00 1.47 H new ATOM 435 N LEU A 29 58.038 -8.940 -3.323 1.00 0.92 N ATOM 436 CA LEU A 29 56.943 -9.913 -3.590 1.00 0.99 C ATOM 437 C LEU A 29 56.436 -10.497 -2.271 1.00 0.99 C ATOM 438 O LEU A 29 55.278 -10.838 -2.132 1.00 1.10 O ATOM 439 CB LEU A 29 57.593 -11.003 -4.432 1.00 1.43 C ATOM 440 CG LEU A 29 57.383 -10.701 -5.917 1.00 1.74 C ATOM 441 CD1 LEU A 29 55.889 -10.530 -6.197 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.119 -9.411 -6.283 1.00 2.45 C ATOM 0 H LEU A 29 58.890 -9.084 -3.865 1.00 0.92 H new ATOM 0 HA LEU A 29 56.090 -9.457 -4.092 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.659 -11.061 -4.210 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.163 -11.973 -4.184 1.00 1.43 H new ATOM 0 HG LEU A 29 57.773 -11.526 -6.514 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.739 -10.315 -7.255 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.362 -11.448 -5.935 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.499 -9.705 -5.600 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.970 -9.195 -7.341 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.728 -8.587 -5.686 1.00 2.45 H new ATOM 0 HD23 LEU A 29 59.184 -9.531 -6.083 1.00 2.45 H new ATOM 454 N GLY A 30 57.300 -10.607 -1.300 1.00 1.16 N ATOM 455 CA GLY A 30 56.876 -11.161 0.016 1.00 1.58 C ATOM 456 C GLY A 30 56.480 -10.009 0.936 1.00 1.39 C ATOM 457 O GLY A 30 55.935 -10.209 2.004 1.00 1.89 O ATOM 0 H GLY A 30 58.282 -10.337 -1.361 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.036 -11.843 -0.116 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.688 -11.737 0.461 1.00 1.58 H new ATOM 461 N ALA A 31 56.750 -8.800 0.527 1.00 0.90 N ATOM 462 CA ALA A 31 56.391 -7.626 1.371 1.00 0.95 C ATOM 463 C ALA A 31 54.889 -7.623 1.659 1.00 1.15 C ATOM 464 O ALA A 31 54.231 -8.641 1.588 1.00 1.41 O ATOM 465 CB ALA A 31 56.778 -6.405 0.537 1.00 0.97 C ATOM 0 H ALA A 31 57.205 -8.574 -0.358 1.00 0.90 H new ATOM 0 HA ALA A 31 56.900 -7.639 2.335 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.544 -5.496 1.092 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.846 -6.434 0.323 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.220 -6.412 -0.399 1.00 0.97 H new ATOM 471 N GLU A 32 54.345 -6.486 1.986 1.00 1.35 N ATOM 472 CA GLU A 32 52.885 -6.416 2.281 1.00 1.90 C ATOM 473 C GLU A 32 52.246 -5.236 1.540 1.00 2.05 C ATOM 474 O GLU A 32 51.088 -5.278 1.172 1.00 2.79 O ATOM 475 CB GLU A 32 52.799 -6.209 3.794 1.00 2.37 C ATOM 476 CG GLU A 32 51.358 -5.879 4.183 1.00 2.44 C ATOM 477 CD GLU A 32 50.798 -6.996 5.065 1.00 2.83 C ATOM 478 OE1 GLU A 32 50.652 -8.100 4.567 1.00 3.29 O ATOM 479 OE2 GLU A 32 50.526 -6.729 6.224 1.00 3.24 O ATOM 0 H GLU A 32 54.847 -5.601 2.062 1.00 1.35 H new ATOM 0 HA GLU A 32 52.356 -7.313 1.959 1.00 1.90 H new ATOM 0 HB2 GLU A 32 53.130 -7.108 4.314 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.463 -5.401 4.099 1.00 2.37 H new ATOM 0 HG2 GLU A 32 51.323 -4.929 4.716 1.00 2.44 H new ATOM 0 HG3 GLU A 32 50.746 -5.766 3.288 1.00 2.44 H new ATOM 486 N ASP A 33 52.989 -4.186 1.319 1.00 1.80 N ATOM 487 CA ASP A 33 52.418 -3.008 0.605 1.00 2.11 C ATOM 488 C ASP A 33 53.461 -2.401 -0.338 1.00 1.47 C ATOM 489 O ASP A 33 53.401 -1.238 -0.680 1.00 1.80 O ATOM 490 CB ASP A 33 52.051 -2.016 1.709 1.00 3.12 C ATOM 491 CG ASP A 33 50.709 -1.359 1.381 1.00 3.68 C ATOM 492 OD1 ASP A 33 49.946 -1.955 0.639 1.00 4.12 O ATOM 493 OD2 ASP A 33 50.466 -0.272 1.880 1.00 4.09 O ATOM 0 H ASP A 33 53.965 -4.093 1.601 1.00 1.80 H new ATOM 0 HA ASP A 33 51.556 -3.275 -0.007 1.00 2.11 H new ATOM 0 HB2 ASP A 33 51.991 -2.530 2.669 1.00 3.12 H new ATOM 0 HB3 ASP A 33 52.827 -1.256 1.802 1.00 3.12 H new ATOM 498 N GLY A 34 54.417 -3.182 -0.761 1.00 1.10 N ATOM 499 CA GLY A 34 55.461 -2.649 -1.680 1.00 1.40 C ATOM 500 C GLY A 34 56.565 -1.977 -0.864 1.00 1.17 C ATOM 501 O GLY A 34 56.755 -0.779 -0.927 1.00 1.39 O ATOM 0 H GLY A 34 54.520 -4.165 -0.510 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.879 -3.457 -2.280 1.00 1.40 H new ATOM 0 HA3 GLY A 34 55.019 -1.933 -2.373 1.00 1.40 H new ATOM 505 N SER A 35 57.295 -2.739 -0.096 1.00 0.84 N ATOM 506 CA SER A 35 58.386 -2.141 0.722 1.00 0.70 C ATOM 507 C SER A 35 59.380 -3.226 1.128 1.00 0.67 C ATOM 508 O SER A 35 59.173 -4.394 0.868 1.00 0.80 O ATOM 509 CB SER A 35 57.689 -1.562 1.951 1.00 0.75 C ATOM 510 OG SER A 35 56.480 -0.929 1.552 1.00 1.04 O ATOM 0 H SER A 35 57.183 -3.748 -0.000 1.00 0.84 H new ATOM 0 HA SER A 35 58.945 -1.379 0.180 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.478 -2.354 2.670 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.341 -0.845 2.449 1.00 0.75 H new ATOM 0 HG SER A 35 56.654 -0.347 0.783 1.00 1.04 H new ATOM 516 N ILE A 36 60.457 -2.857 1.758 1.00 0.69 N ATOM 517 CA ILE A 36 61.451 -3.886 2.168 1.00 0.78 C ATOM 518 C ILE A 36 62.062 -3.529 3.525 1.00 0.71 C ATOM 519 O ILE A 36 62.954 -2.710 3.619 1.00 0.98 O ATOM 520 CB ILE A 36 62.542 -3.898 1.084 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.021 -3.296 -0.227 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.970 -5.342 0.823 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.104 -3.408 -1.302 1.00 1.22 C ATOM 0 H ILE A 36 60.692 -1.896 2.006 1.00 0.69 H new ATOM 0 HA ILE A 36 60.981 -4.864 2.268 1.00 0.78 H new ATOM 0 HB ILE A 36 63.384 -3.302 1.435 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.120 -3.818 -0.547 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.748 -2.251 -0.077 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.744 -5.359 0.055 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.361 -5.777 1.742 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.110 -5.921 0.485 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.736 -2.981 -2.235 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.993 -2.866 -0.980 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.355 -4.457 -1.458 1.00 1.22 H new ATOM 535 N SER A 37 61.595 -4.146 4.575 1.00 0.87 N ATOM 536 CA SER A 37 62.157 -3.854 5.922 1.00 0.87 C ATOM 537 C SER A 37 63.455 -4.641 6.113 1.00 0.76 C ATOM 538 O SER A 37 63.827 -5.444 5.285 1.00 0.87 O ATOM 539 CB SER A 37 61.089 -4.322 6.911 1.00 1.12 C ATOM 540 OG SER A 37 61.496 -5.550 7.500 1.00 1.52 O ATOM 0 H SER A 37 60.848 -4.840 4.558 1.00 0.87 H new ATOM 0 HA SER A 37 62.393 -2.799 6.060 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.938 -3.568 7.684 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.135 -4.450 6.399 1.00 1.12 H new ATOM 0 HG SER A 37 60.813 -5.850 8.135 1.00 1.52 H new ATOM 546 N THR A 38 64.150 -4.417 7.193 1.00 0.71 N ATOM 547 CA THR A 38 65.426 -5.160 7.414 1.00 0.65 C ATOM 548 C THR A 38 65.178 -6.670 7.414 1.00 0.70 C ATOM 549 O THR A 38 66.100 -7.458 7.329 1.00 1.37 O ATOM 550 CB THR A 38 65.947 -4.702 8.779 1.00 0.76 C ATOM 551 OG1 THR A 38 66.904 -5.638 9.255 1.00 1.55 O ATOM 552 CG2 THR A 38 64.788 -4.613 9.767 1.00 1.00 C ATOM 0 H THR A 38 63.894 -3.758 7.928 1.00 0.71 H new ATOM 0 HA THR A 38 66.147 -4.958 6.622 1.00 0.65 H new ATOM 0 HB THR A 38 66.412 -3.721 8.680 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.003 -5.540 10.225 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.162 -4.287 10.738 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.053 -3.896 9.402 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.320 -5.592 9.869 1.00 1.00 H new ATOM 560 N LYS A 39 63.944 -7.085 7.505 1.00 0.60 N ATOM 561 CA LYS A 39 63.653 -8.547 7.505 1.00 0.66 C ATOM 562 C LYS A 39 63.595 -9.069 6.070 1.00 0.64 C ATOM 563 O LYS A 39 64.030 -10.166 5.779 1.00 0.87 O ATOM 564 CB LYS A 39 62.291 -8.680 8.184 1.00 0.81 C ATOM 565 CG LYS A 39 62.327 -7.985 9.548 1.00 1.42 C ATOM 566 CD LYS A 39 63.603 -8.386 10.292 1.00 1.58 C ATOM 567 CE LYS A 39 63.511 -7.925 11.749 1.00 2.15 C ATOM 568 NZ LYS A 39 64.196 -8.991 12.531 1.00 2.80 N ATOM 0 H LYS A 39 63.128 -6.478 7.579 1.00 0.60 H new ATOM 0 HA LYS A 39 64.420 -9.124 8.022 1.00 0.66 H new ATOM 0 HB2 LYS A 39 61.517 -8.236 7.559 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.036 -9.733 8.307 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.294 -6.903 9.418 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.450 -8.263 10.133 1.00 1.42 H new ATOM 0 HD2 LYS A 39 63.737 -9.467 10.249 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.473 -7.938 9.812 1.00 1.58 H new ATOM 0 HE2 LYS A 39 63.996 -6.959 11.889 1.00 2.15 H new ATOM 0 HE3 LYS A 39 62.473 -7.810 12.062 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.175 -8.748 13.542 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 63.709 -9.898 12.383 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 65.183 -9.073 12.215 1.00 2.80 H new ATOM 582 N GLU A 40 63.064 -8.290 5.170 1.00 0.63 N ATOM 583 CA GLU A 40 62.982 -8.742 3.752 1.00 0.68 C ATOM 584 C GLU A 40 63.961 -7.939 2.890 1.00 0.66 C ATOM 585 O GLU A 40 64.298 -8.326 1.789 1.00 0.83 O ATOM 586 CB GLU A 40 61.525 -8.502 3.338 1.00 0.86 C ATOM 587 CG GLU A 40 61.313 -7.043 2.930 1.00 1.05 C ATOM 588 CD GLU A 40 59.912 -6.599 3.355 1.00 1.54 C ATOM 589 OE1 GLU A 40 59.603 -6.728 4.528 1.00 2.32 O ATOM 590 OE2 GLU A 40 59.174 -6.139 2.501 1.00 1.92 O ATOM 0 H GLU A 40 62.684 -7.362 5.354 1.00 0.63 H new ATOM 0 HA GLU A 40 63.255 -9.790 3.626 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.265 -9.159 2.508 1.00 0.86 H new ATOM 0 HB3 GLU A 40 60.860 -8.754 4.164 1.00 0.86 H new ATOM 0 HG2 GLU A 40 62.066 -6.409 3.398 1.00 1.05 H new ATOM 0 HG3 GLU A 40 61.430 -6.934 1.852 1.00 1.05 H new ATOM 597 N LEU A 41 64.428 -6.827 3.393 1.00 0.73 N ATOM 598 CA LEU A 41 65.395 -6.000 2.615 1.00 0.80 C ATOM 599 C LEU A 41 66.800 -6.590 2.738 1.00 0.72 C ATOM 600 O LEU A 41 67.552 -6.634 1.785 1.00 0.81 O ATOM 601 CB LEU A 41 65.335 -4.612 3.257 1.00 1.10 C ATOM 602 CG LEU A 41 66.246 -3.645 2.494 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.706 -3.932 2.848 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.044 -3.823 0.987 1.00 1.83 C ATOM 0 H LEU A 41 64.181 -6.456 4.310 1.00 0.73 H new ATOM 0 HA LEU A 41 65.154 -5.965 1.552 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.310 -4.242 3.249 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.645 -4.671 4.300 1.00 1.10 H new ATOM 0 HG LEU A 41 65.996 -2.621 2.773 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.354 -3.244 2.305 1.00 1.94 H new ATOM 0 HD12 LEU A 41 67.853 -3.800 3.920 1.00 1.94 H new ATOM 0 HD13 LEU A 41 67.953 -4.957 2.572 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.694 -3.133 0.449 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.289 -4.847 0.705 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.005 -3.616 0.732 1.00 1.83 H new ATOM 616 N GLY A 42 67.161 -7.046 3.907 1.00 0.72 N ATOM 617 CA GLY A 42 68.517 -7.635 4.087 1.00 0.91 C ATOM 618 C GLY A 42 68.765 -8.674 2.994 1.00 0.78 C ATOM 619 O GLY A 42 69.855 -8.789 2.469 1.00 0.84 O ATOM 0 H GLY A 42 66.576 -7.036 4.743 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.275 -6.853 4.040 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.597 -8.098 5.070 1.00 0.91 H new ATOM 623 N LYS A 43 67.760 -9.430 2.642 1.00 0.77 N ATOM 624 CA LYS A 43 67.939 -10.459 1.577 1.00 0.86 C ATOM 625 C LYS A 43 68.346 -9.783 0.265 1.00 0.79 C ATOM 626 O LYS A 43 69.076 -10.340 -0.532 1.00 0.99 O ATOM 627 CB LYS A 43 66.572 -11.127 1.437 1.00 0.95 C ATOM 628 CG LYS A 43 66.444 -12.251 2.467 1.00 1.34 C ATOM 629 CD LYS A 43 65.098 -12.956 2.289 1.00 2.13 C ATOM 630 CE LYS A 43 64.846 -13.883 3.481 1.00 2.65 C ATOM 631 NZ LYS A 43 63.637 -13.326 4.151 1.00 2.98 N ATOM 0 H LYS A 43 66.824 -9.380 3.045 1.00 0.77 H new ATOM 0 HA LYS A 43 68.718 -11.181 1.821 1.00 0.86 H new ATOM 0 HB2 LYS A 43 65.780 -10.393 1.584 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.453 -11.527 0.430 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.259 -12.964 2.345 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.523 -11.845 3.476 1.00 1.34 H new ATOM 0 HD2 LYS A 43 64.298 -12.220 2.211 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.095 -13.529 1.362 1.00 2.13 H new ATOM 0 HE2 LYS A 43 64.679 -14.910 3.155 1.00 2.65 H new ATOM 0 HE3 LYS A 43 65.701 -13.898 4.157 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 63.400 -13.908 4.980 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 63.828 -12.350 4.456 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 62.838 -13.330 3.485 1.00 2.98 H new ATOM 645 N VAL A 44 67.880 -8.585 0.038 1.00 0.72 N ATOM 646 CA VAL A 44 68.238 -7.868 -1.220 1.00 0.93 C ATOM 647 C VAL A 44 69.690 -7.387 -1.156 1.00 0.89 C ATOM 648 O VAL A 44 70.450 -7.547 -2.088 1.00 1.06 O ATOM 649 CB VAL A 44 67.283 -6.677 -1.281 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.464 -5.946 -2.613 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.840 -7.174 -1.166 1.00 1.80 C ATOM 0 H VAL A 44 67.266 -8.071 0.670 1.00 0.72 H new ATOM 0 HA VAL A 44 68.151 -8.506 -2.100 1.00 0.93 H new ATOM 0 HB VAL A 44 67.500 -5.995 -0.459 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.783 -5.096 -2.657 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.492 -5.592 -2.697 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.247 -6.628 -3.435 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.158 -6.325 -1.209 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.623 -7.856 -1.988 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.709 -7.696 -0.218 1.00 1.80 H new ATOM 661 N MET A 45 70.080 -6.798 -0.061 1.00 0.86 N ATOM 662 CA MET A 45 71.482 -6.306 0.063 1.00 1.06 C ATOM 663 C MET A 45 72.466 -7.373 -0.427 1.00 1.08 C ATOM 664 O MET A 45 73.402 -7.084 -1.145 1.00 1.14 O ATOM 665 CB MET A 45 71.677 -6.049 1.556 1.00 1.34 C ATOM 666 CG MET A 45 71.428 -4.571 1.858 1.00 1.88 C ATOM 667 SD MET A 45 70.872 -4.390 3.572 1.00 2.45 S ATOM 668 CE MET A 45 72.326 -3.509 4.189 1.00 3.35 C ATOM 0 H MET A 45 69.489 -6.635 0.754 1.00 0.86 H new ATOM 0 HA MET A 45 71.659 -5.412 -0.535 1.00 1.06 H new ATOM 0 HB2 MET A 45 70.993 -6.669 2.135 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.688 -6.326 1.854 1.00 1.34 H new ATOM 0 HG2 MET A 45 72.341 -3.997 1.698 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.677 -4.171 1.177 1.00 1.88 H new ATOM 0 HE1 MET A 45 72.870 -4.148 4.884 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.975 -3.247 3.353 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.010 -2.600 4.702 1.00 3.35 H new ATOM 678 N ARG A 46 72.266 -8.601 -0.036 1.00 1.20 N ATOM 679 CA ARG A 46 73.194 -9.684 -0.471 1.00 1.46 C ATOM 680 C ARG A 46 73.159 -9.847 -1.993 1.00 1.52 C ATOM 681 O ARG A 46 74.078 -10.374 -2.588 1.00 1.73 O ATOM 682 CB ARG A 46 72.676 -10.949 0.213 1.00 1.74 C ATOM 683 CG ARG A 46 73.847 -11.894 0.493 1.00 1.93 C ATOM 684 CD ARG A 46 73.566 -12.691 1.769 1.00 2.48 C ATOM 685 NE ARG A 46 74.904 -13.147 2.236 1.00 2.64 N ATOM 686 CZ ARG A 46 74.997 -14.011 3.211 1.00 3.08 C ATOM 687 NH1 ARG A 46 74.550 -15.226 3.051 1.00 3.41 N ATOM 688 NH2 ARG A 46 75.535 -13.658 4.346 1.00 3.64 N ATOM 0 H ARG A 46 71.500 -8.902 0.566 1.00 1.20 H new ATOM 0 HA ARG A 46 74.228 -9.466 -0.203 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.172 -10.691 1.145 1.00 1.74 H new ATOM 0 HB3 ARG A 46 71.940 -11.443 -0.421 1.00 1.74 H new ATOM 0 HG2 ARG A 46 73.990 -12.572 -0.348 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.770 -11.324 0.603 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.074 -12.074 2.521 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.907 -13.536 1.570 1.00 2.48 H new ATOM 0 HE ARG A 46 75.749 -12.784 1.794 1.00 2.64 H new ATOM 0 HH11 ARG A 46 74.128 -15.501 2.164 1.00 3.41 H new ATOM 0 HH12 ARG A 46 74.623 -15.901 3.813 1.00 3.41 H new ATOM 0 HH21 ARG A 46 75.883 -12.707 4.472 1.00 3.64 H new ATOM 0 HH22 ARG A 46 75.608 -14.333 5.108 1.00 3.64 H new ATOM 702 N MET A 47 72.111 -9.402 -2.632 1.00 1.46 N ATOM 703 CA MET A 47 72.039 -9.543 -4.117 1.00 1.73 C ATOM 704 C MET A 47 72.863 -8.441 -4.794 1.00 1.75 C ATOM 705 O MET A 47 73.286 -8.576 -5.925 1.00 2.01 O ATOM 706 CB MET A 47 70.548 -9.430 -4.467 1.00 1.70 C ATOM 707 CG MET A 47 70.139 -7.961 -4.594 1.00 1.96 C ATOM 708 SD MET A 47 69.935 -7.540 -6.343 1.00 1.94 S ATOM 709 CE MET A 47 68.545 -8.647 -6.684 1.00 1.52 C ATOM 0 H MET A 47 71.307 -8.950 -2.196 1.00 1.46 H new ATOM 0 HA MET A 47 72.451 -10.491 -4.464 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.347 -9.952 -5.403 1.00 1.70 H new ATOM 0 HB3 MET A 47 69.949 -9.915 -3.696 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.208 -7.784 -4.055 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.896 -7.321 -4.141 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.215 -8.510 -7.714 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.859 -9.681 -6.538 1.00 1.52 H new ATOM 0 HE3 MET A 47 67.723 -8.418 -6.006 1.00 1.52 H new ATOM 719 N LEU A 48 73.102 -7.354 -4.108 1.00 1.60 N ATOM 720 CA LEU A 48 73.909 -6.254 -4.715 1.00 1.69 C ATOM 721 C LEU A 48 75.401 -6.547 -4.534 1.00 1.68 C ATOM 722 O LEU A 48 76.245 -5.724 -4.828 1.00 1.99 O ATOM 723 CB LEU A 48 73.525 -4.982 -3.941 1.00 1.73 C ATOM 724 CG LEU A 48 72.127 -4.475 -4.342 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.827 -4.795 -5.811 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.072 -5.135 -3.453 1.00 2.15 C ATOM 0 H LEU A 48 72.775 -7.180 -3.158 1.00 1.60 H new ATOM 0 HA LEU A 48 73.718 -6.149 -5.783 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.545 -5.187 -2.871 1.00 1.73 H new ATOM 0 HB3 LEU A 48 74.263 -4.203 -4.131 1.00 1.73 H new ATOM 0 HG LEU A 48 72.102 -3.393 -4.212 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.834 -4.426 -6.068 1.00 1.86 H new ATOM 0 HD12 LEU A 48 72.569 -4.313 -6.447 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.864 -5.874 -5.963 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.082 -4.777 -3.736 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.116 -6.217 -3.578 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.265 -4.882 -2.410 1.00 2.15 H new ATOM 738 N GLY A 49 75.732 -7.712 -4.048 1.00 1.63 N ATOM 739 CA GLY A 49 77.169 -8.053 -3.844 1.00 1.87 C ATOM 740 C GLY A 49 77.624 -7.517 -2.485 1.00 1.54 C ATOM 741 O GLY A 49 78.789 -7.240 -2.275 1.00 1.53 O ATOM 0 H GLY A 49 75.070 -8.442 -3.784 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.309 -9.133 -3.888 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.775 -7.621 -4.640 1.00 1.87 H new ATOM 745 N GLN A 50 76.713 -7.368 -1.562 1.00 1.37 N ATOM 746 CA GLN A 50 77.091 -6.848 -0.217 1.00 1.17 C ATOM 747 C GLN A 50 77.004 -7.962 0.829 1.00 1.24 C ATOM 748 O GLN A 50 76.216 -8.879 0.708 1.00 1.75 O ATOM 749 CB GLN A 50 76.069 -5.752 0.086 1.00 1.29 C ATOM 750 CG GLN A 50 76.013 -4.767 -1.082 1.00 1.28 C ATOM 751 CD GLN A 50 76.698 -3.459 -0.678 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.908 -3.392 -0.600 1.00 1.89 O ATOM 753 NE2 GLN A 50 75.968 -2.410 -0.415 1.00 1.85 N ATOM 0 H GLN A 50 75.723 -7.584 -1.681 1.00 1.37 H new ATOM 0 HA GLN A 50 78.114 -6.472 -0.195 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.086 -6.193 0.251 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.342 -5.230 1.003 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.506 -5.194 -1.956 1.00 1.28 H new ATOM 0 HG3 GLN A 50 74.977 -4.576 -1.362 1.00 1.28 H new ATOM 0 HE21 GLN A 50 74.952 -2.466 -0.481 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.414 -1.533 -0.144 1.00 1.85 H new ATOM 762 N ASN A 51 77.804 -7.886 1.857 1.00 1.18 N ATOM 763 CA ASN A 51 77.765 -8.935 2.913 1.00 1.29 C ATOM 764 C ASN A 51 77.557 -8.289 4.284 1.00 1.07 C ATOM 765 O ASN A 51 78.373 -8.439 5.173 1.00 1.45 O ATOM 766 CB ASN A 51 79.131 -9.618 2.844 1.00 1.96 C ATOM 767 CG ASN A 51 78.940 -11.112 2.575 1.00 2.61 C ATOM 768 OD1 ASN A 51 79.222 -11.586 1.492 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.470 -11.879 3.520 1.00 3.29 N ATOM 0 H ASN A 51 78.484 -7.141 2.011 1.00 1.18 H new ATOM 0 HA ASN A 51 76.949 -9.643 2.765 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.734 -9.170 2.055 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.670 -9.472 3.780 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.339 -12.876 3.350 1.00 3.29 H new ATOM 0 HD22 ASN A 51 78.233 -11.481 4.429 1.00 3.29 H new ATOM 776 N PRO A 52 76.465 -7.585 4.407 1.00 1.47 N ATOM 777 CA PRO A 52 76.139 -6.899 5.680 1.00 2.11 C ATOM 778 C PRO A 52 75.731 -7.916 6.750 1.00 1.79 C ATOM 779 O PRO A 52 76.032 -9.089 6.654 1.00 2.07 O ATOM 780 CB PRO A 52 74.966 -5.996 5.310 1.00 2.97 C ATOM 781 CG PRO A 52 74.340 -6.644 4.116 1.00 2.97 C ATOM 782 CD PRO A 52 75.442 -7.363 3.381 1.00 2.03 C ATOM 0 HA PRO A 52 76.981 -6.346 6.096 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.256 -5.915 6.133 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.303 -4.986 5.079 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.559 -7.341 4.420 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.870 -5.899 3.474 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.091 -8.304 2.957 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.828 -6.765 2.555 1.00 2.03 H new ATOM 790 N THR A 53 75.050 -7.474 7.770 1.00 1.42 N ATOM 791 CA THR A 53 74.623 -8.410 8.850 1.00 1.16 C ATOM 792 C THR A 53 73.305 -7.933 9.464 1.00 0.98 C ATOM 793 O THR A 53 72.872 -6.826 9.211 1.00 0.92 O ATOM 794 CB THR A 53 75.750 -8.352 9.885 1.00 1.19 C ATOM 795 OG1 THR A 53 76.183 -7.006 10.036 1.00 1.40 O ATOM 796 CG2 THR A 53 76.921 -9.217 9.416 1.00 1.36 C ATOM 0 H THR A 53 74.769 -6.502 7.904 1.00 1.42 H new ATOM 0 HA THR A 53 74.456 -9.423 8.484 1.00 1.16 H new ATOM 0 HB THR A 53 75.385 -8.727 10.841 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.903 -6.967 10.699 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.723 -9.175 10.153 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.588 -10.248 9.300 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.288 -8.845 8.460 1.00 1.36 H new ATOM 804 N PRO A 54 72.707 -8.784 10.254 1.00 0.99 N ATOM 805 CA PRO A 54 71.424 -8.435 10.911 1.00 1.04 C ATOM 806 C PRO A 54 71.653 -7.361 11.978 1.00 0.93 C ATOM 807 O PRO A 54 70.750 -6.642 12.353 1.00 0.94 O ATOM 808 CB PRO A 54 70.973 -9.751 11.540 1.00 1.19 C ATOM 809 CG PRO A 54 72.231 -10.535 11.728 1.00 1.18 C ATOM 810 CD PRO A 54 73.160 -10.133 10.612 1.00 1.10 C ATOM 0 HA PRO A 54 70.682 -8.027 10.224 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.466 -9.582 12.490 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.271 -10.278 10.894 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.678 -10.323 12.699 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.029 -11.606 11.697 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.200 -10.133 10.937 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.090 -10.817 9.766 1.00 1.10 H new ATOM 818 N GLU A 55 72.860 -7.246 12.463 1.00 0.98 N ATOM 819 CA GLU A 55 73.152 -6.215 13.498 1.00 1.08 C ATOM 820 C GLU A 55 73.339 -4.850 12.833 1.00 0.97 C ATOM 821 O GLU A 55 72.865 -3.841 13.318 1.00 1.01 O ATOM 822 CB GLU A 55 74.452 -6.673 14.158 1.00 1.28 C ATOM 823 CG GLU A 55 75.603 -6.553 13.157 1.00 2.15 C ATOM 824 CD GLU A 55 76.881 -7.118 13.779 1.00 2.57 C ATOM 825 OE1 GLU A 55 77.321 -6.574 14.780 1.00 2.81 O ATOM 826 OE2 GLU A 55 77.399 -8.085 13.245 1.00 3.14 O ATOM 0 H GLU A 55 73.656 -7.822 12.187 1.00 0.98 H new ATOM 0 HA GLU A 55 72.345 -6.112 14.223 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.658 -6.066 15.040 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.357 -7.705 14.496 1.00 1.28 H new ATOM 0 HG2 GLU A 55 75.361 -7.094 12.242 1.00 2.15 H new ATOM 0 HG3 GLU A 55 75.751 -5.509 12.880 1.00 2.15 H new ATOM 833 N GLU A 56 74.023 -4.813 11.723 1.00 0.92 N ATOM 834 CA GLU A 56 74.240 -3.515 11.021 1.00 0.94 C ATOM 835 C GLU A 56 73.002 -3.151 10.196 1.00 0.84 C ATOM 836 O GLU A 56 72.730 -1.994 9.944 1.00 0.94 O ATOM 837 CB GLU A 56 75.444 -3.756 10.109 1.00 1.06 C ATOM 838 CG GLU A 56 76.715 -3.258 10.799 1.00 1.60 C ATOM 839 CD GLU A 56 77.216 -1.993 10.100 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.623 -2.096 8.954 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.185 -0.945 10.722 1.00 2.50 O ATOM 0 H GLU A 56 74.442 -5.626 11.271 1.00 0.92 H new ATOM 0 HA GLU A 56 74.414 -2.691 11.713 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.534 -4.818 9.881 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.305 -3.237 9.161 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.513 -3.049 11.850 1.00 1.60 H new ATOM 0 HG3 GLU A 56 77.483 -4.031 10.770 1.00 1.60 H new ATOM 848 N LEU A 57 72.249 -4.131 9.776 1.00 0.73 N ATOM 849 CA LEU A 57 71.026 -3.841 8.972 1.00 0.78 C ATOM 850 C LEU A 57 70.235 -2.702 9.616 1.00 0.80 C ATOM 851 O LEU A 57 70.022 -1.664 9.020 1.00 0.89 O ATOM 852 CB LEU A 57 70.215 -5.136 9.001 1.00 0.85 C ATOM 853 CG LEU A 57 69.940 -5.599 7.571 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.267 -5.825 6.844 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.149 -6.908 7.607 1.00 1.10 C ATOM 0 H LEU A 57 72.427 -5.119 9.954 1.00 0.73 H new ATOM 0 HA LEU A 57 71.263 -3.532 7.954 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.761 -5.907 9.545 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.275 -4.977 9.530 1.00 0.85 H new ATOM 0 HG LEU A 57 69.364 -4.838 7.045 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.071 -6.155 5.824 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.833 -4.894 6.822 1.00 1.30 H new ATOM 0 HD13 LEU A 57 71.844 -6.587 7.368 1.00 1.30 H new ATOM 0 HD21 LEU A 57 68.951 -7.242 6.588 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.727 -7.668 8.132 1.00 1.10 H new ATOM 0 HD23 LEU A 57 68.204 -6.748 8.127 1.00 1.10 H new ATOM 867 N GLN A 58 69.805 -2.887 10.832 1.00 0.81 N ATOM 868 CA GLN A 58 69.032 -1.810 11.520 1.00 0.95 C ATOM 869 C GLN A 58 69.967 -0.654 11.856 1.00 0.99 C ATOM 870 O GLN A 58 69.614 0.502 11.733 1.00 1.13 O ATOM 871 CB GLN A 58 68.494 -2.431 12.815 1.00 1.09 C ATOM 872 CG GLN A 58 68.080 -3.881 12.574 1.00 1.25 C ATOM 873 CD GLN A 58 66.647 -4.090 13.064 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.747 -3.181 12.809 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 66.344 -5.090 13.685 1.00 1.74 N flip ATOM 0 H GLN A 58 69.953 -3.734 11.380 1.00 0.81 H new ATOM 0 HA GLN A 58 68.224 -1.429 10.895 1.00 0.95 H new ATOM 0 HB2 GLN A 58 69.257 -2.388 13.592 1.00 1.09 H new ATOM 0 HB3 GLN A 58 67.640 -1.857 13.175 1.00 1.09 H new ATOM 0 HG2 GLN A 58 68.151 -4.119 11.513 1.00 1.25 H new ATOM 0 HG3 GLN A 58 68.757 -4.556 13.098 1.00 1.25 H new ATOM 0 HE21 GLN A 58 67.049 -5.800 13.884 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.385 -5.219 14.007 1.00 1.74 H new ATOM 884 N GLU A 59 71.158 -0.962 12.284 1.00 0.97 N ATOM 885 CA GLU A 59 72.120 0.113 12.634 1.00 1.14 C ATOM 886 C GLU A 59 72.077 1.209 11.567 1.00 1.11 C ATOM 887 O GLU A 59 72.085 2.386 11.867 1.00 1.18 O ATOM 888 CB GLU A 59 73.489 -0.566 12.659 1.00 1.23 C ATOM 889 CG GLU A 59 74.432 0.221 13.571 1.00 1.60 C ATOM 890 CD GLU A 59 75.236 -0.753 14.436 1.00 2.19 C ATOM 891 OE1 GLU A 59 75.754 -1.712 13.890 1.00 2.77 O ATOM 892 OE2 GLU A 59 75.319 -0.522 15.632 1.00 2.75 O ATOM 0 H GLU A 59 71.505 -1.913 12.406 1.00 0.97 H new ATOM 0 HA GLU A 59 71.891 0.584 13.590 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.392 -1.591 13.016 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.900 -0.617 11.651 1.00 1.23 H new ATOM 0 HG2 GLU A 59 75.106 0.834 12.973 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.861 0.900 14.204 1.00 1.60 H new ATOM 899 N MET A 60 72.022 0.826 10.320 1.00 1.11 N ATOM 900 CA MET A 60 71.966 1.840 9.228 1.00 1.18 C ATOM 901 C MET A 60 70.545 2.394 9.108 1.00 1.13 C ATOM 902 O MET A 60 70.343 3.566 8.858 1.00 1.25 O ATOM 903 CB MET A 60 72.357 1.082 7.958 1.00 1.22 C ATOM 904 CG MET A 60 73.873 0.882 7.924 1.00 1.62 C ATOM 905 SD MET A 60 74.685 2.474 7.633 1.00 1.82 S ATOM 906 CE MET A 60 76.338 1.825 7.288 1.00 2.02 C ATOM 0 H MET A 60 72.013 -0.146 10.010 1.00 1.11 H new ATOM 0 HA MET A 60 72.628 2.687 9.412 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.852 0.116 7.929 1.00 1.22 H new ATOM 0 HB3 MET A 60 72.034 1.637 7.077 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.215 0.454 8.866 1.00 1.62 H new ATOM 0 HG3 MET A 60 74.140 0.176 7.137 1.00 1.62 H new ATOM 0 HE1 MET A 60 77.017 2.651 7.077 1.00 2.02 H new ATOM 0 HE2 MET A 60 76.699 1.271 8.154 1.00 2.02 H new ATOM 0 HE3 MET A 60 76.295 1.161 6.425 1.00 2.02 H new ATOM 916 N ILE A 61 69.556 1.559 9.290 1.00 1.04 N ATOM 917 CA ILE A 61 68.150 2.041 9.192 1.00 1.11 C ATOM 918 C ILE A 61 67.861 3.017 10.340 1.00 1.23 C ATOM 919 O ILE A 61 67.489 4.153 10.123 1.00 1.40 O ATOM 920 CB ILE A 61 67.287 0.768 9.289 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.865 0.346 7.881 1.00 1.17 C ATOM 922 CG2 ILE A 61 66.031 1.023 10.132 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.152 -1.142 7.684 1.00 1.14 C ATOM 0 H ILE A 61 69.662 0.567 9.502 1.00 1.04 H new ATOM 0 HA ILE A 61 67.944 2.582 8.268 1.00 1.11 H new ATOM 0 HB ILE A 61 67.873 -0.018 9.765 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.803 0.544 7.734 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.405 0.932 7.138 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.438 0.110 10.186 1.00 1.36 H new ATOM 0 HG22 ILE A 61 66.323 1.326 11.137 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.439 1.814 9.672 1.00 1.36 H new ATOM 0 HD11 ILE A 61 66.851 -1.441 6.680 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.218 -1.327 7.813 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.592 -1.721 8.418 1.00 1.14 H new ATOM 935 N ASP A 62 68.032 2.581 11.557 1.00 1.23 N ATOM 936 CA ASP A 62 67.768 3.482 12.716 1.00 1.43 C ATOM 937 C ASP A 62 68.382 4.862 12.465 1.00 1.48 C ATOM 938 O ASP A 62 67.947 5.855 13.015 1.00 1.67 O ATOM 939 CB ASP A 62 68.448 2.802 13.906 1.00 1.51 C ATOM 940 CG ASP A 62 67.383 2.203 14.826 1.00 1.54 C ATOM 941 OD1 ASP A 62 66.633 1.360 14.360 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.335 2.596 15.979 1.00 2.13 O ATOM 0 H ASP A 62 68.343 1.640 11.800 1.00 1.23 H new ATOM 0 HA ASP A 62 66.702 3.635 12.886 1.00 1.43 H new ATOM 0 HB2 ASP A 62 69.123 2.021 13.556 1.00 1.51 H new ATOM 0 HB3 ASP A 62 69.053 3.524 14.454 1.00 1.51 H new ATOM 947 N GLU A 63 69.392 4.934 11.641 1.00 1.41 N ATOM 948 CA GLU A 63 70.033 6.251 11.359 1.00 1.52 C ATOM 949 C GLU A 63 69.340 6.942 10.182 1.00 1.47 C ATOM 950 O GLU A 63 68.895 8.067 10.285 1.00 1.80 O ATOM 951 CB GLU A 63 71.483 5.918 11.005 1.00 1.55 C ATOM 952 CG GLU A 63 72.353 6.020 12.261 1.00 2.11 C ATOM 953 CD GLU A 63 73.739 5.441 11.969 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.916 4.251 12.169 1.00 2.93 O ATOM 955 OE2 GLU A 63 74.598 6.198 11.550 1.00 2.32 O ATOM 0 H GLU A 63 69.801 4.138 11.151 1.00 1.41 H new ATOM 0 HA GLU A 63 69.964 6.931 12.208 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.545 4.913 10.588 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.848 6.604 10.240 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.440 7.061 12.573 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.887 5.479 13.084 1.00 2.11 H new ATOM 962 N VAL A 64 69.250 6.280 9.060 1.00 1.33 N ATOM 963 CA VAL A 64 68.589 6.902 7.876 1.00 1.29 C ATOM 964 C VAL A 64 67.067 6.878 8.041 1.00 1.21 C ATOM 965 O VAL A 64 66.349 7.600 7.378 1.00 1.50 O ATOM 966 CB VAL A 64 69.016 6.043 6.684 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.518 5.766 6.765 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.256 4.716 6.712 1.00 1.31 C ATOM 0 H VAL A 64 69.605 5.335 8.912 1.00 1.33 H new ATOM 0 HA VAL A 64 68.875 7.946 7.747 1.00 1.29 H new ATOM 0 HB VAL A 64 68.792 6.573 5.759 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.821 5.154 5.916 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.064 6.709 6.746 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.741 5.237 7.691 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.560 4.104 5.863 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.480 4.188 7.639 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.185 4.909 6.655 1.00 1.31 H new ATOM 978 N ASP A 65 66.569 6.053 8.921 1.00 1.27 N ATOM 979 CA ASP A 65 65.093 5.985 9.127 1.00 1.38 C ATOM 980 C ASP A 65 64.664 7.003 10.186 1.00 2.07 C ATOM 981 O ASP A 65 64.781 6.767 11.372 1.00 2.61 O ATOM 982 CB ASP A 65 64.825 4.560 9.612 1.00 1.38 C ATOM 983 CG ASP A 65 63.442 4.110 9.138 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.994 4.614 8.121 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.854 3.271 9.799 1.00 2.59 O ATOM 0 H ASP A 65 67.119 5.424 9.506 1.00 1.27 H new ATOM 0 HA ASP A 65 64.536 6.216 8.219 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.590 3.884 9.229 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.879 4.519 10.700 1.00 1.38 H new ATOM 990 N GLU A 66 64.168 8.135 9.766 1.00 2.65 N ATOM 991 CA GLU A 66 63.734 9.167 10.749 1.00 3.74 C ATOM 992 C GLU A 66 62.405 8.760 11.393 1.00 4.00 C ATOM 993 O GLU A 66 61.865 9.466 12.221 1.00 4.93 O ATOM 994 CB GLU A 66 63.563 10.447 9.930 1.00 4.58 C ATOM 995 CG GLU A 66 64.931 10.928 9.444 1.00 5.25 C ATOM 996 CD GLU A 66 65.715 11.511 10.620 1.00 6.17 C ATOM 997 OE1 GLU A 66 65.336 11.243 11.749 1.00 6.67 O ATOM 998 OE2 GLU A 66 66.680 12.214 10.374 1.00 6.61 O ATOM 0 H GLU A 66 64.045 8.389 8.786 1.00 2.65 H new ATOM 0 HA GLU A 66 64.453 9.294 11.559 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.907 10.262 9.079 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.089 11.219 10.536 1.00 4.58 H new ATOM 0 HG2 GLU A 66 65.483 10.099 9.001 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.808 11.682 8.666 1.00 5.25 H new ATOM 1005 N ASP A 67 61.874 7.628 11.018 1.00 3.32 N ATOM 1006 CA ASP A 67 60.580 7.183 11.611 1.00 3.69 C ATOM 1007 C ASP A 67 60.799 5.968 12.516 1.00 3.25 C ATOM 1008 O ASP A 67 60.035 5.717 13.428 1.00 3.49 O ATOM 1009 CB ASP A 67 59.705 6.812 10.414 1.00 3.68 C ATOM 1010 CG ASP A 67 60.448 5.811 9.527 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.675 4.701 9.980 1.00 3.83 O ATOM 1012 OD2 ASP A 67 60.781 6.171 8.409 1.00 2.33 O ATOM 0 H ASP A 67 62.278 6.994 10.329 1.00 3.32 H new ATOM 0 HA ASP A 67 60.121 7.956 12.228 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.765 6.381 10.758 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.456 7.706 9.842 1.00 3.68 H new ATOM 1017 N GLY A 68 61.834 5.212 12.274 1.00 2.98 N ATOM 1018 CA GLY A 68 62.097 4.016 13.123 1.00 3.17 C ATOM 1019 C GLY A 68 61.065 2.931 12.810 1.00 2.42 C ATOM 1020 O GLY A 68 60.468 2.356 13.698 1.00 3.05 O ATOM 0 H GLY A 68 62.509 5.370 11.526 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.103 3.640 12.938 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.047 4.287 14.178 1.00 3.17 H new ATOM 1024 N SER A 69 60.851 2.649 11.555 1.00 1.46 N ATOM 1025 CA SER A 69 59.856 1.602 11.185 1.00 1.52 C ATOM 1026 C SER A 69 60.571 0.361 10.639 1.00 1.64 C ATOM 1027 O SER A 69 59.952 -0.640 10.337 1.00 2.49 O ATOM 1028 CB SER A 69 58.992 2.242 10.101 1.00 2.44 C ATOM 1029 OG SER A 69 59.826 2.705 9.047 1.00 2.71 O ATOM 0 H SER A 69 61.322 3.098 10.769 1.00 1.46 H new ATOM 0 HA SER A 69 59.263 1.276 12.039 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.272 1.518 9.719 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.420 3.071 10.518 1.00 2.44 H new ATOM 0 HG SER A 69 60.249 3.549 9.311 1.00 2.71 H new ATOM 1035 N GLY A 70 61.868 0.421 10.511 1.00 1.28 N ATOM 1036 CA GLY A 70 62.618 -0.754 9.985 1.00 1.43 C ATOM 1037 C GLY A 70 62.148 -1.070 8.566 1.00 1.29 C ATOM 1038 O GLY A 70 62.424 -2.126 8.033 1.00 1.59 O ATOM 0 H GLY A 70 62.440 1.232 10.748 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.688 -0.545 9.986 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.461 -1.617 10.632 1.00 1.43 H new ATOM 1042 N THR A 71 61.438 -0.166 7.947 1.00 0.89 N ATOM 1043 CA THR A 71 60.952 -0.424 6.562 1.00 0.79 C ATOM 1044 C THR A 71 61.690 0.469 5.561 1.00 0.76 C ATOM 1045 O THR A 71 62.066 1.584 5.864 1.00 0.83 O ATOM 1046 CB THR A 71 59.462 -0.079 6.595 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.306 1.322 6.771 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.790 -0.820 7.752 1.00 1.08 C ATOM 0 H THR A 71 61.174 0.738 8.340 1.00 0.89 H new ATOM 0 HA THR A 71 61.126 -1.454 6.250 1.00 0.79 H new ATOM 0 HB THR A 71 58.998 -0.381 5.656 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.514 1.560 7.698 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.729 -0.573 7.774 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.910 -1.895 7.614 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.252 -0.521 8.693 1.00 1.08 H new ATOM 1056 N VAL A 72 61.895 -0.016 4.367 1.00 0.73 N ATOM 1057 CA VAL A 72 62.605 0.796 3.338 1.00 0.77 C ATOM 1058 C VAL A 72 61.952 0.585 1.969 1.00 0.80 C ATOM 1059 O VAL A 72 62.007 -0.490 1.405 1.00 1.00 O ATOM 1060 CB VAL A 72 64.041 0.269 3.343 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.786 0.790 2.111 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.754 0.749 4.608 1.00 1.13 C ATOM 0 H VAL A 72 61.600 -0.943 4.059 1.00 0.73 H new ATOM 0 HA VAL A 72 62.567 1.865 3.547 1.00 0.77 H new ATOM 0 HB VAL A 72 64.026 -0.821 3.322 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.809 0.413 2.118 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.279 0.449 1.208 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.801 1.880 2.129 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.778 0.374 4.613 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.766 1.839 4.627 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.227 0.377 5.486 1.00 1.13 H new ATOM 1072 N ASP A 73 61.332 1.599 1.432 1.00 0.77 N ATOM 1073 CA ASP A 73 60.674 1.450 0.103 1.00 0.83 C ATOM 1074 C ASP A 73 61.668 1.750 -1.022 1.00 0.87 C ATOM 1075 O ASP A 73 62.864 1.614 -0.862 1.00 0.87 O ATOM 1076 CB ASP A 73 59.539 2.475 0.103 1.00 0.85 C ATOM 1077 CG ASP A 73 58.751 2.364 1.410 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.592 1.255 1.891 1.00 2.57 O ATOM 1079 OD2 ASP A 73 58.320 3.393 1.908 1.00 2.47 O ATOM 0 H ASP A 73 61.252 2.524 1.855 1.00 0.77 H new ATOM 0 HA ASP A 73 60.308 0.436 -0.062 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.944 3.481 -0.006 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.879 2.303 -0.747 1.00 0.85 H new ATOM 1084 N PHE A 74 61.179 2.156 -2.163 1.00 0.94 N ATOM 1085 CA PHE A 74 62.094 2.463 -3.300 1.00 0.98 C ATOM 1086 C PHE A 74 62.912 3.721 -2.999 1.00 0.86 C ATOM 1087 O PHE A 74 63.878 4.021 -3.670 1.00 0.83 O ATOM 1088 CB PHE A 74 61.172 2.698 -4.496 1.00 1.12 C ATOM 1089 CG PHE A 74 61.962 3.309 -5.628 1.00 1.33 C ATOM 1090 CD1 PHE A 74 63.256 2.854 -5.905 1.00 2.22 C ATOM 1091 CD2 PHE A 74 61.399 4.332 -6.400 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.988 3.422 -6.956 1.00 3.01 C ATOM 1093 CE2 PHE A 74 62.131 4.900 -7.449 1.00 2.84 C ATOM 1094 CZ PHE A 74 63.425 4.445 -7.728 1.00 3.18 C ATOM 0 H PHE A 74 60.186 2.288 -2.357 1.00 0.94 H new ATOM 0 HA PHE A 74 62.807 1.659 -3.484 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.727 1.756 -4.816 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.352 3.358 -4.213 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.690 2.065 -5.309 1.00 2.22 H new ATOM 0 HD2 PHE A 74 60.400 4.683 -6.186 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.986 3.071 -7.170 1.00 3.01 H new ATOM 0 HE2 PHE A 74 61.697 5.690 -8.044 1.00 2.84 H new ATOM 0 HZ PHE A 74 63.989 4.883 -8.538 1.00 3.18 H new ATOM 1104 N ASP A 75 62.530 4.461 -1.993 1.00 0.83 N ATOM 1105 CA ASP A 75 63.285 5.700 -1.651 1.00 0.76 C ATOM 1106 C ASP A 75 64.321 5.406 -0.563 1.00 0.69 C ATOM 1107 O ASP A 75 65.511 5.537 -0.773 1.00 0.65 O ATOM 1108 CB ASP A 75 62.227 6.676 -1.133 1.00 0.81 C ATOM 1109 CG ASP A 75 62.914 7.846 -0.426 1.00 0.99 C ATOM 1110 OD1 ASP A 75 63.900 8.333 -0.951 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.439 8.235 0.629 1.00 1.57 O ATOM 0 H ASP A 75 61.729 4.261 -1.394 1.00 0.83 H new ATOM 0 HA ASP A 75 63.829 6.102 -2.506 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.620 7.043 -1.960 1.00 0.81 H new ATOM 0 HB3 ASP A 75 61.553 6.166 -0.444 1.00 0.81 H new ATOM 1116 N GLU A 76 63.879 5.010 0.598 1.00 0.77 N ATOM 1117 CA GLU A 76 64.839 4.709 1.701 1.00 0.78 C ATOM 1118 C GLU A 76 65.947 3.777 1.203 1.00 0.70 C ATOM 1119 O GLU A 76 67.066 3.824 1.672 1.00 0.70 O ATOM 1120 CB GLU A 76 64.002 4.015 2.776 1.00 0.95 C ATOM 1121 CG GLU A 76 62.816 4.903 3.155 1.00 1.51 C ATOM 1122 CD GLU A 76 62.561 4.798 4.660 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.344 4.143 5.329 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.587 5.373 5.118 1.00 1.72 O ATOM 0 H GLU A 76 62.895 4.881 0.833 1.00 0.77 H new ATOM 0 HA GLU A 76 65.326 5.608 2.078 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.646 3.052 2.409 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.615 3.814 3.655 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.021 5.938 2.881 1.00 1.51 H new ATOM 0 HG3 GLU A 76 61.928 4.597 2.603 1.00 1.51 H new ATOM 1131 N PHE A 77 65.643 2.927 0.261 1.00 0.72 N ATOM 1132 CA PHE A 77 66.681 1.992 -0.260 1.00 0.73 C ATOM 1133 C PHE A 77 67.842 2.774 -0.882 1.00 0.67 C ATOM 1134 O PHE A 77 68.966 2.698 -0.429 1.00 0.69 O ATOM 1135 CB PHE A 77 65.969 1.152 -1.324 1.00 0.84 C ATOM 1136 CG PHE A 77 66.573 -0.236 -1.372 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.841 -0.474 -0.825 1.00 1.32 C ATOM 1138 CD2 PHE A 77 65.860 -1.287 -1.965 1.00 1.83 C ATOM 1139 CE1 PHE A 77 68.396 -1.758 -0.873 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.416 -2.572 -2.011 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.683 -2.807 -1.464 1.00 1.46 C ATOM 0 H PHE A 77 64.723 2.839 -0.170 1.00 0.72 H new ATOM 0 HA PHE A 77 67.105 1.373 0.530 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.905 1.088 -1.097 1.00 0.84 H new ATOM 0 HB3 PHE A 77 66.059 1.631 -2.299 1.00 0.84 H new ATOM 0 HD1 PHE A 77 68.391 0.334 -0.366 1.00 1.32 H new ATOM 0 HD2 PHE A 77 64.882 -1.106 -2.386 1.00 1.83 H new ATOM 0 HE1 PHE A 77 69.375 -1.939 -0.454 1.00 1.48 H new ATOM 0 HE2 PHE A 77 65.867 -3.382 -2.469 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.110 -3.798 -1.498 1.00 1.46 H new ATOM 1151 N LEU A 78 67.578 3.525 -1.914 1.00 0.66 N ATOM 1152 CA LEU A 78 68.673 4.311 -2.560 1.00 0.68 C ATOM 1153 C LEU A 78 69.303 5.257 -1.536 1.00 0.62 C ATOM 1154 O LEU A 78 70.490 5.513 -1.562 1.00 0.64 O ATOM 1155 CB LEU A 78 68.003 5.104 -3.689 1.00 0.77 C ATOM 1156 CG LEU A 78 67.045 4.204 -4.479 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.739 4.856 -5.828 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.693 2.836 -4.715 1.00 1.41 C ATOM 0 H LEU A 78 66.657 3.630 -2.339 1.00 0.66 H new ATOM 0 HA LEU A 78 69.468 3.671 -2.943 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.457 5.951 -3.273 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.763 5.512 -4.356 1.00 0.77 H new ATOM 0 HG LEU A 78 66.123 4.073 -3.912 1.00 0.96 H new ATOM 0 HD11 LEU A 78 66.058 4.220 -6.394 1.00 1.55 H new ATOM 0 HD12 LEU A 78 66.275 5.829 -5.665 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.665 4.985 -6.388 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.008 2.201 -5.277 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.616 2.963 -5.281 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.917 2.369 -3.756 1.00 1.41 H new ATOM 1170 N VAL A 79 68.518 5.770 -0.629 1.00 0.59 N ATOM 1171 CA VAL A 79 69.076 6.691 0.401 1.00 0.61 C ATOM 1172 C VAL A 79 69.946 5.903 1.382 1.00 0.63 C ATOM 1173 O VAL A 79 70.777 6.454 2.076 1.00 0.68 O ATOM 1174 CB VAL A 79 67.856 7.272 1.113 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.312 8.268 2.180 1.00 0.73 C ATOM 1176 CG2 VAL A 79 66.966 7.986 0.096 1.00 0.70 C ATOM 0 H VAL A 79 67.516 5.592 -0.557 1.00 0.59 H new ATOM 0 HA VAL A 79 69.703 7.471 -0.031 1.00 0.61 H new ATOM 0 HB VAL A 79 67.294 6.467 1.586 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.441 8.682 2.687 1.00 0.73 H new ATOM 0 HG12 VAL A 79 68.947 7.759 2.905 1.00 0.73 H new ATOM 0 HG13 VAL A 79 68.874 9.074 1.709 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.095 8.401 0.603 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.528 8.791 -0.378 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.639 7.276 -0.664 1.00 0.70 H new ATOM 1186 N MET A 80 69.757 4.614 1.443 1.00 0.65 N ATOM 1187 CA MET A 80 70.569 3.782 2.377 1.00 0.72 C ATOM 1188 C MET A 80 72.025 3.732 1.912 1.00 0.71 C ATOM 1189 O MET A 80 72.924 4.154 2.613 1.00 0.76 O ATOM 1190 CB MET A 80 69.938 2.391 2.322 1.00 0.80 C ATOM 1191 CG MET A 80 70.408 1.568 3.523 1.00 1.12 C ATOM 1192 SD MET A 80 68.968 0.948 4.430 1.00 2.17 S ATOM 1193 CE MET A 80 69.128 -0.789 3.950 1.00 2.77 C ATOM 0 H MET A 80 69.075 4.100 0.886 1.00 0.65 H new ATOM 0 HA MET A 80 70.575 4.185 3.390 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.851 2.473 2.327 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.216 1.891 1.394 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.026 0.735 3.187 1.00 1.12 H new ATOM 0 HG3 MET A 80 71.027 2.181 4.178 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.325 -1.368 4.407 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.065 -0.874 2.865 1.00 2.77 H new ATOM 0 HE3 MET A 80 70.090 -1.173 4.289 1.00 2.77 H new ATOM 1203 N MET A 81 72.272 3.217 0.738 1.00 0.69 N ATOM 1204 CA MET A 81 73.681 3.147 0.249 1.00 0.74 C ATOM 1205 C MET A 81 74.277 4.553 0.152 1.00 0.75 C ATOM 1206 O MET A 81 75.452 4.753 0.385 1.00 0.82 O ATOM 1207 CB MET A 81 73.619 2.487 -1.129 1.00 0.73 C ATOM 1208 CG MET A 81 72.428 3.030 -1.923 1.00 0.89 C ATOM 1209 SD MET A 81 71.189 1.723 -2.127 1.00 1.41 S ATOM 1210 CE MET A 81 72.316 0.412 -2.663 1.00 1.21 C ATOM 0 H MET A 81 71.568 2.845 0.101 1.00 0.69 H new ATOM 0 HA MET A 81 74.315 2.577 0.928 1.00 0.74 H new ATOM 0 HB2 MET A 81 74.544 2.676 -1.673 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.529 1.406 -1.019 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.990 3.883 -1.404 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.760 3.386 -2.898 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.770 -0.312 -3.269 1.00 1.21 H new ATOM 0 HE2 MET A 81 73.123 0.845 -3.254 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.734 -0.088 -1.789 1.00 1.21 H new ATOM 1220 N VAL A 82 73.478 5.532 -0.179 1.00 0.72 N ATOM 1221 CA VAL A 82 74.012 6.920 -0.272 1.00 0.78 C ATOM 1222 C VAL A 82 74.902 7.200 0.938 1.00 0.81 C ATOM 1223 O VAL A 82 75.954 7.798 0.828 1.00 0.93 O ATOM 1224 CB VAL A 82 72.780 7.824 -0.252 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.214 9.277 -0.055 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.033 7.692 -1.582 1.00 1.36 C ATOM 0 H VAL A 82 72.485 5.431 -0.388 1.00 0.72 H new ATOM 0 HA VAL A 82 74.613 7.082 -1.167 1.00 0.78 H new ATOM 0 HB VAL A 82 72.125 7.528 0.567 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.334 9.921 -0.041 1.00 1.08 H new ATOM 0 HG12 VAL A 82 73.748 9.372 0.890 1.00 1.08 H new ATOM 0 HG13 VAL A 82 73.869 9.575 -0.874 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.153 8.336 -1.571 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.690 7.989 -2.399 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.723 6.657 -1.724 1.00 1.36 H new ATOM 1236 N ARG A 83 74.487 6.756 2.094 1.00 0.79 N ATOM 1237 CA ARG A 83 75.304 6.975 3.319 1.00 0.85 C ATOM 1238 C ARG A 83 76.287 5.814 3.493 1.00 0.90 C ATOM 1239 O ARG A 83 77.276 5.921 4.191 1.00 1.00 O ATOM 1240 CB ARG A 83 74.295 6.999 4.467 1.00 0.87 C ATOM 1241 CG ARG A 83 74.214 8.411 5.051 1.00 1.07 C ATOM 1242 CD ARG A 83 72.978 8.522 5.946 1.00 0.92 C ATOM 1243 NE ARG A 83 73.364 9.482 7.016 1.00 1.62 N ATOM 1244 CZ ARG A 83 72.584 9.655 8.049 1.00 1.83 C ATOM 1245 NH1 ARG A 83 72.343 8.661 8.858 1.00 2.14 N ATOM 1246 NH2 ARG A 83 72.045 10.823 8.269 1.00 2.49 N ATOM 0 H ARG A 83 73.614 6.249 2.242 1.00 0.79 H new ATOM 0 HA ARG A 83 75.889 7.894 3.276 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.314 6.686 4.109 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.593 6.291 5.241 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.114 8.630 5.626 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.162 9.146 4.248 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.115 8.882 5.385 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.705 7.553 6.364 1.00 0.92 H new ATOM 0 HE ARG A 83 74.237 10.004 6.942 1.00 1.62 H new ATOM 0 HH11 ARG A 83 72.764 7.748 8.684 1.00 2.14 H new ATOM 0 HH12 ARG A 83 71.734 8.796 9.665 1.00 2.14 H new ATOM 0 HH21 ARG A 83 72.233 11.599 7.635 1.00 2.49 H new ATOM 0 HH22 ARG A 83 71.436 10.960 9.075 1.00 2.49 H new ATOM 1260 N SER A 84 76.016 4.705 2.860 1.00 0.92 N ATOM 1261 CA SER A 84 76.927 3.530 2.982 1.00 1.01 C ATOM 1262 C SER A 84 78.108 3.673 2.018 1.00 1.06 C ATOM 1263 O SER A 84 79.224 3.303 2.327 1.00 1.38 O ATOM 1264 CB SER A 84 76.068 2.326 2.597 1.00 1.04 C ATOM 1265 OG SER A 84 76.615 1.152 3.184 1.00 1.52 O ATOM 0 H SER A 84 75.202 4.561 2.263 1.00 0.92 H new ATOM 0 HA SER A 84 77.345 3.433 3.984 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.043 2.473 2.937 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.033 2.222 1.513 1.00 1.04 H new ATOM 0 HG SER A 84 76.065 0.378 2.941 1.00 1.52 H new ATOM 1271 N MET A 85 77.870 4.204 0.850 1.00 0.00 N ATOM 1272 CA MET A 85 78.976 4.366 -0.137 1.00 0.00 C ATOM 1273 C MET A 85 80.066 5.283 0.429 1.00 0.00 C ATOM 1274 O MET A 85 81.087 4.826 0.904 1.00 0.00 O ATOM 1275 CB MET A 85 78.321 5.002 -1.365 1.00 0.00 C ATOM 1276 CG MET A 85 77.245 4.061 -1.913 1.00 0.00 C ATOM 1277 SD MET A 85 77.598 3.686 -3.649 1.00 0.00 S ATOM 1278 CE MET A 85 75.993 4.183 -4.319 1.00 0.00 C ATOM 0 H MET A 85 76.957 4.533 0.536 1.00 0.00 H new ATOM 0 HA MET A 85 79.457 3.417 -0.377 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.879 5.962 -1.099 1.00 0.00 H new ATOM 0 HB3 MET A 85 79.072 5.198 -2.130 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.220 3.141 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.262 4.523 -1.822 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.981 4.016 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.205 3.593 -3.851 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.825 5.240 -4.114 1.00 0.00 H new