USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 535 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 HIS : no HE2:sc= -0.907 K(o=1.2,f=-14!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 151:sc= 2.09 (180deg=0.159) USER MOD Set 2.1: A 34 TYR OH : rot -136:sc= 1.15 USER MOD Set 2.2: A 36 SER OG : rot 89:sc= 2.06 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 150:sc= 1.12 (180deg=0) USER MOD Set 3.2: A 29 HIS : no HE2:sc= 1.83 K(o=4.1,f=-13!) USER MOD Set 3.3: A 61 THR OG1 : rot 78:sc= 1.11 USER MOD Set 4.1: A 15 CYS SG : rot 180:sc= 0.583 USER MOD Set 4.2: A 17 SER OG : rot 93:sc= 0.824 USER MOD Single : A 13 MET CE :methyl 158:sc= -0.251 (180deg=-1.31) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -98:sc= 0.301 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.217 F(o=-1.2,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0.46) USER MOD Single : A 24 SER OG : rot 82:sc= 1.12 USER MOD Single : A 25 SER OG : rot -29:sc= -0.452 USER MOD Single : A 27 THR OG1 : rot -136:sc= 1.36 USER MOD Single : A 35 CYS SG : rot -5:sc= 0.264 USER MOD Single : A 41 THR OG1 : rot -22:sc= 0.519 USER MOD Single : A 42 ASN : amide:sc= 1.04 K(o=1,f=-0.00098) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= 0.986 (180deg=-3.71!) USER MOD Single : A 48 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 2.17 K(o=2.2,f=-11!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 138:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.205 -4.513 4.156 1.00 1.41 N ATOM 47 CA VAL A 5 8.531 -3.291 4.570 1.00 1.63 C ATOM 48 C VAL A 5 8.551 -2.355 3.359 1.00 1.76 C ATOM 49 O VAL A 5 9.399 -1.471 3.256 1.00 2.52 O ATOM 50 CB VAL A 5 9.212 -2.700 5.817 1.00 1.71 C ATOM 51 CG1 VAL A 5 8.431 -1.483 6.335 1.00 2.37 C ATOM 52 CG2 VAL A 5 9.276 -3.749 6.935 1.00 2.55 C ATOM 0 HA VAL A 5 7.497 -3.467 4.868 1.00 1.63 H new ATOM 0 HB VAL A 5 10.219 -2.395 5.534 1.00 1.71 H new ATOM 0 HG11 VAL A 5 8.929 -1.080 7.217 1.00 2.37 H new ATOM 0 HG12 VAL A 5 8.392 -0.719 5.559 1.00 2.37 H new ATOM 0 HG13 VAL A 5 7.417 -1.786 6.597 1.00 2.37 H new ATOM 0 HG21 VAL A 5 9.760 -3.318 7.811 1.00 2.55 H new ATOM 0 HG22 VAL A 5 8.266 -4.064 7.197 1.00 2.55 H new ATOM 0 HG23 VAL A 5 9.848 -4.612 6.592 1.00 2.55 H new ATOM 62 N LEU A 6 7.660 -2.597 2.399 1.00 1.19 N ATOM 63 CA LEU A 6 7.656 -1.901 1.121 1.00 1.10 C ATOM 64 C LEU A 6 6.901 -0.584 1.284 1.00 0.95 C ATOM 65 O LEU A 6 5.699 -0.610 1.541 1.00 1.07 O ATOM 66 CB LEU A 6 7.033 -2.819 0.056 1.00 1.27 C ATOM 67 CG LEU A 6 7.130 -2.290 -1.388 1.00 1.31 C ATOM 68 CD1 LEU A 6 7.002 -3.466 -2.363 1.00 2.37 C ATOM 69 CD2 LEU A 6 6.029 -1.278 -1.737 1.00 2.42 C ATOM 0 H LEU A 6 6.916 -3.288 2.491 1.00 1.19 H new ATOM 0 HA LEU A 6 8.667 -1.661 0.791 1.00 1.10 H new ATOM 0 HB2 LEU A 6 7.521 -3.793 0.105 1.00 1.27 H new ATOM 0 HB3 LEU A 6 5.983 -2.976 0.301 1.00 1.27 H new ATOM 0 HG LEU A 6 8.093 -1.786 -1.470 1.00 1.31 H new ATOM 0 HD11 LEU A 6 7.070 -3.099 -3.387 1.00 2.37 H new ATOM 0 HD12 LEU A 6 7.805 -4.180 -2.180 1.00 2.37 H new ATOM 0 HD13 LEU A 6 6.040 -3.957 -2.217 1.00 2.37 H new ATOM 0 HD21 LEU A 6 6.154 -0.945 -2.767 1.00 2.42 H new ATOM 0 HD22 LEU A 6 5.053 -1.749 -1.624 1.00 2.42 H new ATOM 0 HD23 LEU A 6 6.097 -0.421 -1.067 1.00 2.42 H new ATOM 81 N GLU A 7 7.579 0.558 1.132 1.00 0.86 N ATOM 82 CA GLU A 7 6.916 1.853 1.112 1.00 0.76 C ATOM 83 C GLU A 7 6.518 2.248 -0.307 1.00 0.73 C ATOM 84 O GLU A 7 7.338 2.188 -1.223 1.00 0.89 O ATOM 85 CB GLU A 7 7.779 2.952 1.725 1.00 0.81 C ATOM 86 CG GLU A 7 8.219 2.662 3.160 1.00 0.92 C ATOM 87 CD GLU A 7 8.384 3.971 3.912 1.00 1.48 C ATOM 88 OE1 GLU A 7 9.086 4.873 3.402 1.00 1.99 O ATOM 89 OE2 GLU A 7 7.679 4.174 4.928 1.00 2.69 O ATOM 0 H GLU A 7 8.592 0.605 1.021 1.00 0.86 H new ATOM 0 HA GLU A 7 6.017 1.748 1.720 1.00 0.76 H new ATOM 0 HB2 GLU A 7 8.664 3.094 1.105 1.00 0.81 H new ATOM 0 HB3 GLU A 7 7.223 3.890 1.708 1.00 0.81 H new ATOM 0 HG2 GLU A 7 7.480 2.034 3.659 1.00 0.92 H new ATOM 0 HG3 GLU A 7 9.159 2.109 3.159 1.00 0.92 H new ATOM 96 N LEU A 8 5.278 2.710 -0.464 1.00 0.72 N ATOM 97 CA LEU A 8 4.805 3.384 -1.661 1.00 0.74 C ATOM 98 C LEU A 8 4.142 4.689 -1.211 1.00 0.76 C ATOM 99 O LEU A 8 3.377 4.698 -0.244 1.00 0.79 O ATOM 100 CB LEU A 8 3.975 2.431 -2.557 1.00 0.75 C ATOM 101 CG LEU A 8 3.030 1.446 -1.841 1.00 0.81 C ATOM 102 CD1 LEU A 8 1.717 2.107 -1.430 1.00 1.81 C ATOM 103 CD2 LEU A 8 2.694 0.288 -2.783 1.00 1.33 C ATOM 0 H LEU A 8 4.562 2.621 0.257 1.00 0.72 H new ATOM 0 HA LEU A 8 5.611 3.668 -2.337 1.00 0.74 H new ATOM 0 HB2 LEU A 8 3.379 3.039 -3.238 1.00 0.75 H new ATOM 0 HB3 LEU A 8 4.667 1.853 -3.169 1.00 0.75 H new ATOM 0 HG LEU A 8 3.545 1.098 -0.946 1.00 0.81 H new ATOM 0 HD11 LEU A 8 1.083 1.376 -0.929 1.00 1.81 H new ATOM 0 HD12 LEU A 8 1.923 2.934 -0.751 1.00 1.81 H new ATOM 0 HD13 LEU A 8 1.206 2.484 -2.316 1.00 1.81 H new ATOM 0 HD21 LEU A 8 2.026 -0.410 -2.278 1.00 1.33 H new ATOM 0 HD22 LEU A 8 2.206 0.676 -3.677 1.00 1.33 H new ATOM 0 HD23 LEU A 8 3.611 -0.229 -3.066 1.00 1.33 H new ATOM 115 N VAL A 9 4.503 5.818 -1.835 1.00 0.85 N ATOM 116 CA VAL A 9 3.782 7.060 -1.616 1.00 0.92 C ATOM 117 C VAL A 9 2.451 6.885 -2.326 1.00 0.99 C ATOM 118 O VAL A 9 2.422 6.375 -3.440 1.00 1.06 O ATOM 119 CB VAL A 9 4.575 8.306 -2.071 1.00 1.00 C ATOM 120 CG1 VAL A 9 3.761 9.296 -2.917 1.00 0.84 C ATOM 121 CG2 VAL A 9 5.062 9.077 -0.837 1.00 1.40 C ATOM 0 H VAL A 9 5.284 5.888 -2.488 1.00 0.85 H new ATOM 0 HA VAL A 9 3.627 7.251 -0.554 1.00 0.92 H new ATOM 0 HB VAL A 9 5.390 7.923 -2.686 1.00 1.00 H new ATOM 0 HG11 VAL A 9 4.391 10.141 -3.195 1.00 0.84 H new ATOM 0 HG12 VAL A 9 3.405 8.797 -3.818 1.00 0.84 H new ATOM 0 HG13 VAL A 9 2.909 9.653 -2.339 1.00 0.84 H new ATOM 0 HG21 VAL A 9 5.622 9.957 -1.155 1.00 1.40 H new ATOM 0 HG22 VAL A 9 4.204 9.389 -0.241 1.00 1.40 H new ATOM 0 HG23 VAL A 9 5.706 8.434 -0.237 1.00 1.40 H new ATOM 131 N VAL A 10 1.356 7.257 -1.669 1.00 1.07 N ATOM 132 CA VAL A 10 0.024 7.079 -2.202 1.00 1.14 C ATOM 133 C VAL A 10 -0.579 8.468 -2.342 1.00 1.02 C ATOM 134 O VAL A 10 -1.298 8.951 -1.467 1.00 1.38 O ATOM 135 CB VAL A 10 -0.802 6.093 -1.361 1.00 1.30 C ATOM 136 CG1 VAL A 10 -1.780 5.397 -2.302 1.00 1.78 C ATOM 137 CG2 VAL A 10 0.062 4.992 -0.751 1.00 1.63 C ATOM 0 H VAL A 10 1.376 7.692 -0.747 1.00 1.07 H new ATOM 0 HA VAL A 10 0.039 6.608 -3.185 1.00 1.14 H new ATOM 0 HB VAL A 10 -1.286 6.654 -0.561 1.00 1.30 H new ATOM 0 HG11 VAL A 10 -2.385 4.687 -1.738 1.00 1.78 H new ATOM 0 HG12 VAL A 10 -2.429 6.139 -2.766 1.00 1.78 H new ATOM 0 HG13 VAL A 10 -1.225 4.866 -3.076 1.00 1.78 H new ATOM 0 HG21 VAL A 10 -0.565 4.320 -0.166 1.00 1.63 H new ATOM 0 HG22 VAL A 10 0.552 4.431 -1.547 1.00 1.63 H new ATOM 0 HG23 VAL A 10 0.817 5.439 -0.104 1.00 1.63 H new ATOM 147 N ARG A 11 -0.232 9.132 -3.442 1.00 1.00 N ATOM 148 CA ARG A 11 -0.796 10.428 -3.772 1.00 1.01 C ATOM 149 C ARG A 11 -2.246 10.188 -4.208 1.00 0.92 C ATOM 150 O ARG A 11 -2.569 9.128 -4.743 1.00 0.96 O ATOM 151 CB ARG A 11 0.103 11.098 -4.822 1.00 1.49 C ATOM 152 CG ARG A 11 -0.410 12.447 -5.351 1.00 1.45 C ATOM 153 CD ARG A 11 -0.660 12.341 -6.859 1.00 2.29 C ATOM 154 NE ARG A 11 -1.269 13.558 -7.409 1.00 3.62 N ATOM 155 CZ ARG A 11 -1.566 13.730 -8.709 1.00 4.79 C ATOM 156 NH1 ARG A 11 -1.271 12.787 -9.607 1.00 5.04 N ATOM 157 NH2 ARG A 11 -2.168 14.857 -9.108 1.00 6.35 N ATOM 0 H ARG A 11 0.444 8.785 -4.123 1.00 1.00 H new ATOM 0 HA ARG A 11 -0.828 11.123 -2.933 1.00 1.01 H new ATOM 0 HB2 ARG A 11 1.092 11.247 -4.389 1.00 1.49 H new ATOM 0 HB3 ARG A 11 0.223 10.416 -5.664 1.00 1.49 H new ATOM 0 HG2 ARG A 11 -1.330 12.725 -4.837 1.00 1.45 H new ATOM 0 HG3 ARG A 11 0.319 13.231 -5.146 1.00 1.45 H new ATOM 0 HD2 ARG A 11 0.284 12.147 -7.369 1.00 2.29 H new ATOM 0 HD3 ARG A 11 -1.311 11.490 -7.058 1.00 2.29 H new ATOM 0 HE ARG A 11 -1.480 14.320 -6.765 1.00 3.62 H new ATOM 0 HH11 ARG A 11 -0.815 11.924 -9.310 1.00 5.04 H new ATOM 0 HH12 ARG A 11 -1.501 12.929 -10.590 1.00 5.04 H new ATOM 0 HH21 ARG A 11 -2.399 15.580 -8.427 1.00 6.35 H new ATOM 0 HH22 ARG A 11 -2.395 14.992 -10.093 1.00 6.35 H new ATOM 171 N GLY A 12 -3.148 11.127 -3.914 1.00 0.99 N ATOM 172 CA GLY A 12 -4.572 10.978 -4.192 1.00 1.07 C ATOM 173 C GLY A 12 -5.350 10.695 -2.909 1.00 0.92 C ATOM 174 O GLY A 12 -6.461 11.193 -2.747 1.00 1.10 O ATOM 0 H GLY A 12 -2.907 12.015 -3.474 1.00 0.99 H new ATOM 0 HA2 GLY A 12 -4.952 11.886 -4.660 1.00 1.07 H new ATOM 0 HA3 GLY A 12 -4.725 10.165 -4.902 1.00 1.07 H new ATOM 178 N MET A 13 -4.772 9.926 -1.978 1.00 0.94 N ATOM 179 CA MET A 13 -5.329 9.828 -0.636 1.00 0.97 C ATOM 180 C MET A 13 -5.390 11.234 -0.038 1.00 1.27 C ATOM 181 O MET A 13 -4.409 11.977 -0.119 1.00 1.95 O ATOM 182 CB MET A 13 -4.500 8.867 0.231 1.00 1.24 C ATOM 183 CG MET A 13 -4.572 9.213 1.728 1.00 1.71 C ATOM 184 SD MET A 13 -3.905 7.990 2.876 1.00 2.33 S ATOM 185 CE MET A 13 -2.238 7.844 2.210 1.00 1.29 C ATOM 0 H MET A 13 -3.930 9.372 -2.132 1.00 0.94 H new ATOM 0 HA MET A 13 -6.337 9.415 -0.674 1.00 0.97 H new ATOM 0 HB2 MET A 13 -4.855 7.848 0.080 1.00 1.24 H new ATOM 0 HB3 MET A 13 -3.460 8.894 -0.095 1.00 1.24 H new ATOM 0 HG2 MET A 13 -4.042 10.152 1.886 1.00 1.71 H new ATOM 0 HG3 MET A 13 -5.616 9.389 1.987 1.00 1.71 H new ATOM 0 HE1 MET A 13 -1.571 7.456 2.980 1.00 1.29 H new ATOM 0 HE2 MET A 13 -2.245 7.163 1.359 1.00 1.29 H new ATOM 0 HE3 MET A 13 -1.888 8.825 1.887 1.00 1.29 H new ATOM 195 N THR A 14 -6.537 11.570 0.559 1.00 1.28 N ATOM 196 CA THR A 14 -6.810 12.872 1.147 1.00 1.67 C ATOM 197 C THR A 14 -7.854 12.742 2.266 1.00 1.53 C ATOM 198 O THR A 14 -7.578 13.079 3.414 1.00 2.62 O ATOM 199 CB THR A 14 -7.177 13.879 0.037 1.00 2.16 C ATOM 200 OG1 THR A 14 -7.446 15.146 0.599 1.00 2.87 O ATOM 201 CG2 THR A 14 -8.369 13.466 -0.839 1.00 1.98 C ATOM 0 H THR A 14 -7.319 10.921 0.646 1.00 1.28 H new ATOM 0 HA THR A 14 -5.918 13.272 1.630 1.00 1.67 H new ATOM 0 HB THR A 14 -6.306 13.908 -0.617 1.00 2.16 H new ATOM 0 HG1 THR A 14 -7.676 15.778 -0.114 1.00 2.87 H new ATOM 0 HG21 THR A 14 -8.552 14.234 -1.590 1.00 1.98 H new ATOM 0 HG22 THR A 14 -8.147 12.521 -1.334 1.00 1.98 H new ATOM 0 HG23 THR A 14 -9.255 13.349 -0.216 1.00 1.98 H new ATOM 209 N CYS A 15 -9.045 12.213 1.964 1.00 1.28 N ATOM 210 CA CYS A 15 -10.090 12.030 2.970 1.00 1.77 C ATOM 211 C CYS A 15 -9.669 10.967 3.987 1.00 1.50 C ATOM 212 O CYS A 15 -9.114 9.947 3.589 1.00 2.08 O ATOM 213 CB CYS A 15 -11.396 11.599 2.297 1.00 2.51 C ATOM 214 SG CYS A 15 -12.632 11.344 3.593 1.00 3.56 S ATOM 0 H CYS A 15 -9.307 11.904 1.028 1.00 1.28 H new ATOM 0 HA CYS A 15 -10.243 12.978 3.486 1.00 1.77 H new ATOM 0 HB2 CYS A 15 -11.732 12.361 1.594 1.00 2.51 H new ATOM 0 HB3 CYS A 15 -11.247 10.682 1.727 1.00 2.51 H new ATOM 0 HG CYS A 15 -13.757 10.978 3.054 1.00 3.56 H new ATOM 220 N ALA A 16 -9.958 11.173 5.279 1.00 1.13 N ATOM 221 CA ALA A 16 -9.704 10.202 6.344 1.00 1.02 C ATOM 222 C ALA A 16 -10.013 8.771 5.905 1.00 0.97 C ATOM 223 O ALA A 16 -9.182 7.879 6.065 1.00 1.84 O ATOM 224 CB ALA A 16 -10.557 10.537 7.568 1.00 1.28 C ATOM 0 H ALA A 16 -10.383 12.037 5.616 1.00 1.13 H new ATOM 0 HA ALA A 16 -8.643 10.263 6.588 1.00 1.02 H new ATOM 0 HB1 ALA A 16 -10.363 9.810 8.357 1.00 1.28 H new ATOM 0 HB2 ALA A 16 -10.305 11.536 7.925 1.00 1.28 H new ATOM 0 HB3 ALA A 16 -11.612 10.504 7.296 1.00 1.28 H new ATOM 230 N SER A 17 -11.206 8.562 5.338 1.00 0.81 N ATOM 231 CA SER A 17 -11.671 7.274 4.853 1.00 0.70 C ATOM 232 C SER A 17 -10.583 6.535 4.075 1.00 0.58 C ATOM 233 O SER A 17 -10.391 5.341 4.287 1.00 0.64 O ATOM 234 CB SER A 17 -12.909 7.503 3.982 1.00 0.93 C ATOM 235 OG SER A 17 -13.778 8.415 4.628 1.00 1.60 O ATOM 0 H SER A 17 -11.887 9.309 5.204 1.00 0.81 H new ATOM 0 HA SER A 17 -11.926 6.642 5.704 1.00 0.70 H new ATOM 0 HB2 SER A 17 -12.614 7.893 3.008 1.00 0.93 H new ATOM 0 HB3 SER A 17 -13.422 6.558 3.805 1.00 0.93 H new ATOM 0 HG SER A 17 -13.588 9.325 4.317 1.00 1.60 H new ATOM 241 N CYS A 18 -9.856 7.245 3.204 1.00 0.51 N ATOM 242 CA CYS A 18 -8.793 6.694 2.370 1.00 0.49 C ATOM 243 C CYS A 18 -7.859 5.805 3.186 1.00 0.50 C ATOM 244 O CYS A 18 -7.473 4.737 2.719 1.00 0.50 O ATOM 245 CB CYS A 18 -7.967 7.813 1.727 1.00 0.58 C ATOM 246 SG CYS A 18 -8.969 8.854 0.636 1.00 0.75 S ATOM 0 H CYS A 18 -9.998 8.245 3.060 1.00 0.51 H new ATOM 0 HA CYS A 18 -9.272 6.099 1.592 1.00 0.49 H new ATOM 0 HB2 CYS A 18 -7.522 8.429 2.508 1.00 0.58 H new ATOM 0 HB3 CYS A 18 -7.146 7.377 1.158 1.00 0.58 H new ATOM 0 HG CYS A 18 -8.813 8.468 -0.596 1.00 0.75 H new ATOM 252 N VAL A 19 -7.515 6.233 4.406 1.00 0.62 N ATOM 253 CA VAL A 19 -6.629 5.493 5.289 1.00 0.67 C ATOM 254 C VAL A 19 -7.168 4.071 5.465 1.00 0.66 C ATOM 255 O VAL A 19 -6.521 3.103 5.067 1.00 0.66 O ATOM 256 CB VAL A 19 -6.486 6.240 6.630 1.00 0.80 C ATOM 257 CG1 VAL A 19 -5.574 5.501 7.616 1.00 0.90 C ATOM 258 CG2 VAL A 19 -5.907 7.646 6.417 1.00 0.85 C ATOM 0 H VAL A 19 -7.850 7.110 4.804 1.00 0.62 H new ATOM 0 HA VAL A 19 -5.631 5.419 4.856 1.00 0.67 H new ATOM 0 HB VAL A 19 -7.491 6.298 7.048 1.00 0.80 H new ATOM 0 HG11 VAL A 19 -5.506 6.068 8.544 1.00 0.90 H new ATOM 0 HG12 VAL A 19 -5.987 4.514 7.823 1.00 0.90 H new ATOM 0 HG13 VAL A 19 -4.580 5.395 7.182 1.00 0.90 H new ATOM 0 HG21 VAL A 19 -5.816 8.152 7.378 1.00 0.85 H new ATOM 0 HG22 VAL A 19 -4.923 7.568 5.954 1.00 0.85 H new ATOM 0 HG23 VAL A 19 -6.570 8.218 5.767 1.00 0.85 H new ATOM 268 N HIS A 20 -8.369 3.923 6.031 1.00 0.73 N ATOM 269 CA HIS A 20 -8.906 2.602 6.292 1.00 0.79 C ATOM 270 C HIS A 20 -9.239 1.900 4.972 1.00 0.70 C ATOM 271 O HIS A 20 -9.148 0.680 4.898 1.00 0.74 O ATOM 272 CB HIS A 20 -10.059 2.688 7.308 1.00 0.94 C ATOM 273 CG HIS A 20 -11.410 2.243 6.819 1.00 1.02 C ATOM 274 ND1 HIS A 20 -12.082 2.719 5.727 1.00 1.39 N flip ATOM 275 CD2 HIS A 20 -12.200 1.285 7.407 1.00 0.89 C flip ATOM 276 CE1 HIS A 20 -13.297 2.043 5.635 1.00 1.46 C flip ATOM 277 NE2 HIS A 20 -13.321 1.196 6.675 1.00 1.16 N flip ATOM 0 H HIS A 20 -8.974 4.695 6.311 1.00 0.73 H new ATOM 0 HA HIS A 20 -8.161 1.966 6.769 1.00 0.79 H new ATOM 0 HB2 HIS A 20 -9.795 2.087 8.178 1.00 0.94 H new ATOM 0 HB3 HIS A 20 -10.141 3.721 7.647 1.00 0.94 H new ATOM 0 HD2 HIS A 20 -11.963 0.712 8.291 1.00 0.89 H new ATOM 0 HE1 HIS A 20 -14.061 2.174 4.883 1.00 1.46 H new ATOM 0 HE2 HIS A 20 -14.094 0.564 6.883 1.00 1.16 H new ATOM 285 N LYS A 21 -9.606 2.656 3.929 1.00 0.64 N ATOM 286 CA LYS A 21 -9.904 2.126 2.603 1.00 0.64 C ATOM 287 C LYS A 21 -8.684 1.328 2.144 1.00 0.59 C ATOM 288 O LYS A 21 -8.790 0.167 1.759 1.00 0.77 O ATOM 289 CB LYS A 21 -10.226 3.291 1.638 1.00 0.59 C ATOM 290 CG LYS A 21 -11.330 3.048 0.598 1.00 0.80 C ATOM 291 CD LYS A 21 -10.917 2.086 -0.521 1.00 1.15 C ATOM 292 CE LYS A 21 -11.902 2.128 -1.710 1.00 1.56 C ATOM 293 NZ LYS A 21 -11.585 3.162 -2.730 1.00 3.06 N ATOM 0 H LYS A 21 -9.704 3.669 3.990 1.00 0.64 H new ATOM 0 HA LYS A 21 -10.777 1.473 2.620 1.00 0.64 H new ATOM 0 HB2 LYS A 21 -10.508 4.158 2.235 1.00 0.59 H new ATOM 0 HB3 LYS A 21 -9.311 3.554 1.107 1.00 0.59 H new ATOM 0 HG2 LYS A 21 -12.211 2.650 1.102 1.00 0.80 H new ATOM 0 HG3 LYS A 21 -11.619 4.002 0.157 1.00 0.80 H new ATOM 0 HD2 LYS A 21 -9.917 2.343 -0.869 1.00 1.15 H new ATOM 0 HD3 LYS A 21 -10.867 1.071 -0.127 1.00 1.15 H new ATOM 0 HE2 LYS A 21 -11.914 1.150 -2.192 1.00 1.56 H new ATOM 0 HE3 LYS A 21 -12.907 2.307 -1.328 1.00 1.56 H new ATOM 0 HZ1 LYS A 21 -12.450 3.413 -3.251 1.00 3.06 H new ATOM 0 HZ2 LYS A 21 -11.206 4.009 -2.260 1.00 3.06 H new ATOM 0 HZ3 LYS A 21 -10.877 2.789 -3.394 1.00 3.06 H new ATOM 307 N ILE A 22 -7.518 1.967 2.225 1.00 0.41 N ATOM 308 CA ILE A 22 -6.250 1.429 1.778 1.00 0.34 C ATOM 309 C ILE A 22 -5.859 0.283 2.697 1.00 0.36 C ATOM 310 O ILE A 22 -5.620 -0.813 2.201 1.00 0.56 O ATOM 311 CB ILE A 22 -5.195 2.548 1.710 1.00 0.43 C ATOM 312 CG1 ILE A 22 -5.505 3.468 0.522 1.00 0.32 C ATOM 313 CG2 ILE A 22 -3.791 1.960 1.520 1.00 0.70 C ATOM 314 CD1 ILE A 22 -4.818 4.837 0.559 1.00 0.73 C ATOM 0 H ILE A 22 -7.436 2.905 2.618 1.00 0.41 H new ATOM 0 HA ILE A 22 -6.328 1.028 0.767 1.00 0.34 H new ATOM 0 HB ILE A 22 -5.226 3.107 2.645 1.00 0.43 H new ATOM 0 HG12 ILE A 22 -5.214 2.958 -0.397 1.00 0.32 H new ATOM 0 HG13 ILE A 22 -6.583 3.622 0.474 1.00 0.32 H new ATOM 0 HG21 ILE A 22 -3.061 2.768 1.475 1.00 0.70 H new ATOM 0 HG22 ILE A 22 -3.555 1.304 2.358 1.00 0.70 H new ATOM 0 HG23 ILE A 22 -3.758 1.389 0.592 1.00 0.70 H new ATOM 0 HD11 ILE A 22 -5.102 5.410 -0.324 1.00 0.73 H new ATOM 0 HD12 ILE A 22 -5.126 5.375 1.456 1.00 0.73 H new ATOM 0 HD13 ILE A 22 -3.737 4.701 0.571 1.00 0.73 H new ATOM 326 N GLU A 23 -5.815 0.524 4.014 1.00 0.42 N ATOM 327 CA GLU A 23 -5.441 -0.501 4.980 1.00 0.52 C ATOM 328 C GLU A 23 -6.278 -1.753 4.716 1.00 0.66 C ATOM 329 O GLU A 23 -5.749 -2.789 4.324 1.00 0.81 O ATOM 330 CB GLU A 23 -5.621 0.003 6.427 1.00 0.79 C ATOM 331 CG GLU A 23 -4.478 -0.440 7.362 1.00 1.18 C ATOM 332 CD GLU A 23 -4.212 -1.950 7.402 1.00 3.25 C ATOM 333 OE1 GLU A 23 -5.179 -2.715 7.196 1.00 4.58 O ATOM 334 OE2 GLU A 23 -3.037 -2.322 7.629 1.00 4.21 O ATOM 0 H GLU A 23 -6.037 1.428 4.431 1.00 0.42 H new ATOM 0 HA GLU A 23 -4.385 -0.743 4.863 1.00 0.52 H new ATOM 0 HB2 GLU A 23 -5.679 1.091 6.423 1.00 0.79 H new ATOM 0 HB3 GLU A 23 -6.569 -0.366 6.820 1.00 0.79 H new ATOM 0 HG2 GLU A 23 -3.563 0.065 7.054 1.00 1.18 H new ATOM 0 HG3 GLU A 23 -4.705 -0.101 8.373 1.00 1.18 H new ATOM 341 N SER A 24 -7.599 -1.611 4.835 1.00 0.74 N ATOM 342 CA SER A 24 -8.524 -2.736 4.791 1.00 0.93 C ATOM 343 C SER A 24 -8.399 -3.453 3.450 1.00 0.95 C ATOM 344 O SER A 24 -8.295 -4.679 3.376 1.00 1.17 O ATOM 345 CB SER A 24 -9.964 -2.251 5.015 1.00 1.09 C ATOM 346 OG SER A 24 -10.066 -1.500 6.209 1.00 1.46 O ATOM 0 H SER A 24 -8.055 -0.708 4.965 1.00 0.74 H new ATOM 0 HA SER A 24 -8.274 -3.436 5.588 1.00 0.93 H new ATOM 0 HB2 SER A 24 -10.282 -1.641 4.169 1.00 1.09 H new ATOM 0 HB3 SER A 24 -10.637 -3.107 5.061 1.00 1.09 H new ATOM 0 HG SER A 24 -9.775 -0.579 6.042 1.00 1.46 H new ATOM 352 N SER A 25 -8.415 -2.669 2.369 1.00 0.81 N ATOM 353 CA SER A 25 -8.320 -3.217 1.033 1.00 0.90 C ATOM 354 C SER A 25 -6.957 -3.846 0.767 1.00 1.02 C ATOM 355 O SER A 25 -6.857 -4.658 -0.148 1.00 1.46 O ATOM 356 CB SER A 25 -8.592 -2.129 0.010 1.00 0.84 C ATOM 357 OG SER A 25 -8.736 -2.727 -1.265 1.00 1.05 O ATOM 0 H SER A 25 -8.493 -1.653 2.403 1.00 0.81 H new ATOM 0 HA SER A 25 -9.069 -4.004 0.947 1.00 0.90 H new ATOM 0 HB2 SER A 25 -9.496 -1.581 0.274 1.00 0.84 H new ATOM 0 HB3 SER A 25 -7.774 -1.409 -0.001 1.00 0.84 H new ATOM 0 HG SER A 25 -8.205 -3.550 -1.302 1.00 1.05 H new ATOM 363 N LEU A 26 -5.920 -3.455 1.505 1.00 0.76 N ATOM 364 CA LEU A 26 -4.624 -4.105 1.415 1.00 0.86 C ATOM 365 C LEU A 26 -4.585 -5.365 2.259 1.00 0.96 C ATOM 366 O LEU A 26 -4.415 -6.437 1.693 1.00 1.12 O ATOM 367 CB LEU A 26 -3.474 -3.163 1.737 1.00 0.83 C ATOM 368 CG LEU A 26 -3.183 -2.291 0.511 1.00 1.06 C ATOM 369 CD1 LEU A 26 -2.272 -1.156 0.945 1.00 2.35 C ATOM 370 CD2 LEU A 26 -2.498 -3.038 -0.639 1.00 2.00 C ATOM 0 H LEU A 26 -5.958 -2.686 2.174 1.00 0.76 H new ATOM 0 HA LEU A 26 -4.486 -4.401 0.375 1.00 0.86 H new ATOM 0 HB2 LEU A 26 -3.729 -2.537 2.592 1.00 0.83 H new ATOM 0 HB3 LEU A 26 -2.587 -3.733 2.012 1.00 0.83 H new ATOM 0 HG LEU A 26 -4.145 -1.944 0.134 1.00 1.06 H new ATOM 0 HD11 LEU A 26 -2.050 -0.520 0.088 1.00 2.35 H new ATOM 0 HD12 LEU A 26 -2.768 -0.566 1.716 1.00 2.35 H new ATOM 0 HD13 LEU A 26 -1.344 -1.566 1.343 1.00 2.35 H new ATOM 0 HD21 LEU A 26 -2.327 -2.351 -1.468 1.00 2.00 H new ATOM 0 HD22 LEU A 26 -1.544 -3.438 -0.296 1.00 2.00 H new ATOM 0 HD23 LEU A 26 -3.136 -3.857 -0.972 1.00 2.00 H new ATOM 382 N THR A 27 -4.728 -5.269 3.582 1.00 0.98 N ATOM 383 CA THR A 27 -4.494 -6.383 4.495 1.00 1.24 C ATOM 384 C THR A 27 -5.299 -7.634 4.135 1.00 1.41 C ATOM 385 O THR A 27 -4.858 -8.755 4.379 1.00 2.63 O ATOM 386 CB THR A 27 -4.694 -5.928 5.949 1.00 1.29 C ATOM 387 OG1 THR A 27 -5.810 -5.061 6.044 1.00 1.23 O ATOM 388 CG2 THR A 27 -3.437 -5.211 6.448 1.00 1.41 C ATOM 0 H THR A 27 -5.012 -4.409 4.051 1.00 0.98 H new ATOM 0 HA THR A 27 -3.454 -6.691 4.386 1.00 1.24 H new ATOM 0 HB THR A 27 -4.877 -6.806 6.568 1.00 1.29 H new ATOM 0 HG1 THR A 27 -5.585 -4.300 6.620 1.00 1.23 H new ATOM 0 HG21 THR A 27 -3.586 -4.891 7.479 1.00 1.41 H new ATOM 0 HG22 THR A 27 -2.586 -5.891 6.398 1.00 1.41 H new ATOM 0 HG23 THR A 27 -3.243 -4.340 5.822 1.00 1.41 H new ATOM 396 N LYS A 28 -6.463 -7.464 3.502 1.00 1.04 N ATOM 397 CA LYS A 28 -7.240 -8.587 3.000 1.00 0.99 C ATOM 398 C LYS A 28 -6.464 -9.471 2.006 1.00 0.93 C ATOM 399 O LYS A 28 -6.675 -10.683 1.964 1.00 1.04 O ATOM 400 CB LYS A 28 -8.591 -8.074 2.499 1.00 1.02 C ATOM 401 CG LYS A 28 -8.593 -7.185 1.247 1.00 1.27 C ATOM 402 CD LYS A 28 -8.672 -7.959 -0.079 1.00 2.06 C ATOM 403 CE LYS A 28 -9.100 -7.004 -1.209 1.00 2.45 C ATOM 404 NZ LYS A 28 -8.719 -7.485 -2.554 1.00 3.98 N ATOM 0 H LYS A 28 -6.885 -6.552 3.327 1.00 1.04 H new ATOM 0 HA LYS A 28 -7.441 -9.280 3.817 1.00 0.99 H new ATOM 0 HB2 LYS A 28 -9.225 -8.938 2.299 1.00 1.02 H new ATOM 0 HB3 LYS A 28 -9.060 -7.515 3.309 1.00 1.02 H new ATOM 0 HG2 LYS A 28 -9.438 -6.499 1.304 1.00 1.27 H new ATOM 0 HG3 LYS A 28 -7.688 -6.577 1.246 1.00 1.27 H new ATOM 0 HD2 LYS A 28 -7.704 -8.403 -0.311 1.00 2.06 H new ATOM 0 HD3 LYS A 28 -9.385 -8.778 0.008 1.00 2.06 H new ATOM 0 HE2 LYS A 28 -10.181 -6.869 -1.171 1.00 2.45 H new ATOM 0 HE3 LYS A 28 -8.650 -6.026 -1.039 1.00 2.45 H new ATOM 0 HZ1 LYS A 28 -9.408 -7.142 -3.253 1.00 3.98 H new ATOM 0 HZ2 LYS A 28 -7.773 -7.127 -2.796 1.00 3.98 H new ATOM 0 HZ3 LYS A 28 -8.707 -8.525 -2.560 1.00 3.98 H new ATOM 418 N HIS A 29 -5.531 -8.900 1.237 1.00 0.88 N ATOM 419 CA HIS A 29 -4.525 -9.659 0.501 1.00 0.91 C ATOM 420 C HIS A 29 -3.524 -10.246 1.501 1.00 1.17 C ATOM 421 O HIS A 29 -2.387 -9.791 1.553 1.00 2.20 O ATOM 422 CB HIS A 29 -3.769 -8.774 -0.508 1.00 1.05 C ATOM 423 CG HIS A 29 -4.572 -8.240 -1.657 1.00 1.09 C ATOM 424 ND1 HIS A 29 -4.355 -8.473 -2.999 1.00 1.69 N ATOM 425 CD2 HIS A 29 -5.561 -7.307 -1.557 1.00 1.20 C ATOM 426 CE1 HIS A 29 -5.249 -7.742 -3.681 1.00 2.21 C ATOM 427 NE2 HIS A 29 -6.044 -7.049 -2.842 1.00 1.99 N ATOM 0 H HIS A 29 -5.456 -7.891 1.110 1.00 0.88 H new ATOM 0 HA HIS A 29 -5.030 -10.448 -0.056 1.00 0.91 H new ATOM 0 HB2 HIS A 29 -3.341 -7.929 0.032 1.00 1.05 H new ATOM 0 HB3 HIS A 29 -2.936 -9.350 -0.911 1.00 1.05 H new ATOM 0 HD1 HIS A 29 -3.646 -9.088 -3.399 1.00 1.69 H new ATOM 0 HD2 HIS A 29 -5.910 -6.848 -0.644 1.00 1.20 H new ATOM 0 HE1 HIS A 29 -5.322 -7.713 -4.758 1.00 2.21 H new ATOM 435 N ARG A 30 -3.952 -11.263 2.256 1.00 1.35 N ATOM 436 CA ARG A 30 -3.251 -11.983 3.327 1.00 1.86 C ATOM 437 C ARG A 30 -1.736 -11.748 3.441 1.00 2.06 C ATOM 438 O ARG A 30 -1.240 -11.500 4.536 1.00 3.75 O ATOM 439 CB ARG A 30 -3.577 -13.477 3.194 1.00 2.29 C ATOM 440 CG ARG A 30 -3.092 -14.288 4.406 1.00 3.35 C ATOM 441 CD ARG A 30 -3.524 -15.756 4.297 1.00 3.77 C ATOM 442 NE ARG A 30 -4.988 -15.890 4.351 1.00 4.13 N ATOM 443 CZ ARG A 30 -5.667 -17.030 4.143 1.00 4.70 C ATOM 444 NH1 ARG A 30 -5.002 -18.162 3.887 1.00 4.82 N ATOM 445 NH2 ARG A 30 -7.004 -17.030 4.191 1.00 5.82 N ATOM 0 H ARG A 30 -4.890 -11.640 2.120 1.00 1.35 H new ATOM 0 HA ARG A 30 -3.624 -11.566 4.263 1.00 1.86 H new ATOM 0 HB2 ARG A 30 -4.654 -13.603 3.082 1.00 2.29 H new ATOM 0 HB3 ARG A 30 -3.114 -13.869 2.288 1.00 2.29 H new ATOM 0 HG2 ARG A 30 -2.006 -14.230 4.475 1.00 3.35 H new ATOM 0 HG3 ARG A 30 -3.494 -13.855 5.322 1.00 3.35 H new ATOM 0 HD2 ARG A 30 -3.153 -16.178 3.363 1.00 3.77 H new ATOM 0 HD3 ARG A 30 -3.074 -16.330 5.107 1.00 3.77 H new ATOM 0 HE ARG A 30 -5.530 -15.052 4.563 1.00 4.13 H new ATOM 0 HH11 ARG A 30 -3.983 -18.158 3.850 1.00 4.82 H new ATOM 0 HH12 ARG A 30 -5.514 -19.030 3.729 1.00 4.82 H new ATOM 0 HH21 ARG A 30 -7.507 -16.164 4.385 1.00 5.82 H new ATOM 0 HH22 ARG A 30 -7.520 -17.896 4.033 1.00 5.82 H new ATOM 459 N GLY A 31 -0.998 -11.883 2.334 1.00 0.90 N ATOM 460 CA GLY A 31 0.423 -11.579 2.257 1.00 1.02 C ATOM 461 C GLY A 31 0.802 -10.273 2.966 1.00 1.02 C ATOM 462 O GLY A 31 1.731 -10.280 3.769 1.00 1.37 O ATOM 0 H GLY A 31 -1.386 -12.214 1.451 1.00 0.90 H new ATOM 0 HA2 GLY A 31 0.988 -12.401 2.697 1.00 1.02 H new ATOM 0 HA3 GLY A 31 0.718 -11.515 1.210 1.00 1.02 H new ATOM 466 N ILE A 32 0.107 -9.162 2.683 1.00 1.16 N ATOM 467 CA ILE A 32 0.250 -7.925 3.437 1.00 1.16 C ATOM 468 C ILE A 32 -0.395 -8.149 4.807 1.00 1.54 C ATOM 469 O ILE A 32 -1.613 -8.110 4.940 1.00 2.46 O ATOM 470 CB ILE A 32 -0.268 -6.696 2.637 1.00 1.63 C ATOM 471 CG1 ILE A 32 -0.594 -5.455 3.475 1.00 1.27 C ATOM 472 CG2 ILE A 32 -1.476 -6.969 1.759 1.00 2.80 C ATOM 473 CD1 ILE A 32 0.561 -5.115 4.397 1.00 1.99 C ATOM 0 H ILE A 32 -0.569 -9.104 1.922 1.00 1.16 H new ATOM 0 HA ILE A 32 1.297 -7.672 3.606 1.00 1.16 H new ATOM 0 HB ILE A 32 0.603 -6.489 2.015 1.00 1.63 H new ATOM 0 HG12 ILE A 32 -0.803 -4.611 2.818 1.00 1.27 H new ATOM 0 HG13 ILE A 32 -1.495 -5.632 4.062 1.00 1.27 H new ATOM 0 HG21 ILE A 32 -1.764 -6.054 1.241 1.00 2.80 H new ATOM 0 HG22 ILE A 32 -1.227 -7.737 1.027 1.00 2.80 H new ATOM 0 HG23 ILE A 32 -2.305 -7.312 2.378 1.00 2.80 H new ATOM 0 HD11 ILE A 32 0.310 -4.231 4.984 1.00 1.99 H new ATOM 0 HD12 ILE A 32 0.751 -5.953 5.067 1.00 1.99 H new ATOM 0 HD13 ILE A 32 1.454 -4.916 3.804 1.00 1.99 H new ATOM 485 N LEU A 33 0.430 -8.401 5.828 1.00 1.12 N ATOM 486 CA LEU A 33 -0.049 -8.706 7.171 1.00 1.63 C ATOM 487 C LEU A 33 -0.421 -7.434 7.937 1.00 1.49 C ATOM 488 O LEU A 33 -1.348 -7.446 8.742 1.00 1.77 O ATOM 489 CB LEU A 33 0.962 -9.574 7.940 1.00 2.04 C ATOM 490 CG LEU A 33 2.379 -8.978 8.064 1.00 1.89 C ATOM 491 CD1 LEU A 33 2.872 -9.063 9.512 1.00 2.56 C ATOM 492 CD2 LEU A 33 3.365 -9.720 7.153 1.00 2.15 C ATOM 0 H LEU A 33 1.446 -8.398 5.742 1.00 1.12 H new ATOM 0 HA LEU A 33 -0.963 -9.292 7.074 1.00 1.63 H new ATOM 0 HB2 LEU A 33 0.573 -9.756 8.942 1.00 2.04 H new ATOM 0 HB3 LEU A 33 1.035 -10.543 7.446 1.00 2.04 H new ATOM 0 HG LEU A 33 2.327 -7.933 7.758 1.00 1.89 H new ATOM 0 HD11 LEU A 33 3.873 -8.638 9.581 1.00 2.56 H new ATOM 0 HD12 LEU A 33 2.196 -8.505 10.160 1.00 2.56 H new ATOM 0 HD13 LEU A 33 2.898 -10.106 9.827 1.00 2.56 H new ATOM 0 HD21 LEU A 33 4.358 -9.282 7.258 1.00 2.15 H new ATOM 0 HD22 LEU A 33 3.401 -10.772 7.436 1.00 2.15 H new ATOM 0 HD23 LEU A 33 3.038 -9.634 6.117 1.00 2.15 H new ATOM 504 N TYR A 34 0.313 -6.342 7.704 1.00 1.10 N ATOM 505 CA TYR A 34 0.160 -5.079 8.406 1.00 0.92 C ATOM 506 C TYR A 34 0.510 -3.934 7.456 1.00 0.73 C ATOM 507 O TYR A 34 1.644 -3.889 6.973 1.00 0.95 O ATOM 508 CB TYR A 34 1.129 -5.089 9.593 1.00 0.94 C ATOM 509 CG TYR A 34 1.136 -3.814 10.406 1.00 0.84 C ATOM 510 CD1 TYR A 34 0.175 -3.591 11.409 1.00 2.15 C ATOM 511 CD2 TYR A 34 2.069 -2.811 10.096 1.00 1.34 C ATOM 512 CE1 TYR A 34 0.139 -2.356 12.081 1.00 2.14 C ATOM 513 CE2 TYR A 34 2.078 -1.610 10.817 1.00 1.50 C ATOM 514 CZ TYR A 34 1.057 -1.348 11.746 1.00 1.02 C ATOM 515 OH TYR A 34 0.922 -0.095 12.260 1.00 1.20 O ATOM 0 H TYR A 34 1.050 -6.319 6.999 1.00 1.10 H new ATOM 0 HA TYR A 34 -0.864 -4.945 8.756 1.00 0.92 H new ATOM 0 HB2 TYR A 34 0.873 -5.922 10.248 1.00 0.94 H new ATOM 0 HB3 TYR A 34 2.137 -5.274 9.222 1.00 0.94 H new ATOM 0 HD1 TYR A 34 -0.533 -4.366 11.662 1.00 2.15 H new ATOM 0 HD2 TYR A 34 2.782 -2.966 9.299 1.00 1.34 H new ATOM 0 HE1 TYR A 34 -0.595 -2.183 12.855 1.00 2.14 H new ATOM 0 HE2 TYR A 34 2.866 -0.889 10.659 1.00 1.50 H new ATOM 0 HH TYR A 34 1.061 0.566 11.550 1.00 1.20 H new ATOM 525 N CYS A 35 -0.414 -3.007 7.182 1.00 0.70 N ATOM 526 CA CYS A 35 -0.077 -1.787 6.460 1.00 0.61 C ATOM 527 C CYS A 35 0.098 -0.651 7.467 1.00 0.63 C ATOM 528 O CYS A 35 -0.242 -0.781 8.643 1.00 0.89 O ATOM 529 CB CYS A 35 -1.175 -1.464 5.439 1.00 0.82 C ATOM 530 SG CYS A 35 -0.481 -0.564 4.051 1.00 2.53 S ATOM 0 H CYS A 35 -1.395 -3.082 7.450 1.00 0.70 H new ATOM 0 HA CYS A 35 0.856 -1.918 5.912 1.00 0.61 H new ATOM 0 HB2 CYS A 35 -1.639 -2.386 5.089 1.00 0.82 H new ATOM 0 HB3 CYS A 35 -1.959 -0.872 5.911 1.00 0.82 H new ATOM 0 HG CYS A 35 0.771 -0.305 4.284 1.00 2.53 H new ATOM 536 N SER A 36 0.635 0.486 7.033 1.00 0.57 N ATOM 537 CA SER A 36 0.483 1.749 7.742 1.00 0.63 C ATOM 538 C SER A 36 0.415 2.875 6.728 1.00 0.62 C ATOM 539 O SER A 36 1.302 3.724 6.656 1.00 1.42 O ATOM 540 CB SER A 36 1.599 1.966 8.764 1.00 0.80 C ATOM 541 OG SER A 36 1.410 1.096 9.859 1.00 1.61 O ATOM 0 H SER A 36 1.188 0.556 6.179 1.00 0.57 H new ATOM 0 HA SER A 36 -0.445 1.729 8.314 1.00 0.63 H new ATOM 0 HB2 SER A 36 2.570 1.782 8.303 1.00 0.80 H new ATOM 0 HB3 SER A 36 1.599 3.002 9.104 1.00 0.80 H new ATOM 0 HG SER A 36 1.863 0.245 9.683 1.00 1.61 H new ATOM 547 N VAL A 37 -0.658 2.869 5.943 1.00 0.52 N ATOM 548 CA VAL A 37 -1.092 4.024 5.204 1.00 0.61 C ATOM 549 C VAL A 37 -1.372 5.217 6.131 1.00 0.81 C ATOM 550 O VAL A 37 -1.950 5.047 7.202 1.00 1.02 O ATOM 551 CB VAL A 37 -2.278 3.591 4.348 1.00 0.86 C ATOM 552 CG1 VAL A 37 -3.465 3.121 5.182 1.00 2.21 C ATOM 553 CG2 VAL A 37 -2.699 4.728 3.432 1.00 1.50 C ATOM 0 H VAL A 37 -1.249 2.048 5.808 1.00 0.52 H new ATOM 0 HA VAL A 37 -0.309 4.394 4.542 1.00 0.61 H new ATOM 0 HB VAL A 37 -1.951 2.738 3.753 1.00 0.86 H new ATOM 0 HG11 VAL A 37 -4.280 2.825 4.521 1.00 2.21 H new ATOM 0 HG12 VAL A 37 -3.166 2.269 5.793 1.00 2.21 H new ATOM 0 HG13 VAL A 37 -3.799 3.932 5.829 1.00 2.21 H new ATOM 0 HG21 VAL A 37 -3.546 4.411 2.824 1.00 1.50 H new ATOM 0 HG22 VAL A 37 -2.986 5.591 4.032 1.00 1.50 H new ATOM 0 HG23 VAL A 37 -1.867 4.998 2.782 1.00 1.50 H new ATOM 563 N ALA A 38 -0.959 6.422 5.721 1.00 0.90 N ATOM 564 CA ALA A 38 -1.220 7.668 6.421 1.00 1.12 C ATOM 565 C ALA A 38 -1.211 8.837 5.442 1.00 1.01 C ATOM 566 O ALA A 38 -0.330 8.936 4.584 1.00 0.94 O ATOM 567 CB ALA A 38 -0.167 7.915 7.495 1.00 1.37 C ATOM 0 H ALA A 38 -0.418 6.552 4.866 1.00 0.90 H new ATOM 0 HA ALA A 38 -2.201 7.589 6.890 1.00 1.12 H new ATOM 0 HB1 ALA A 38 -0.382 8.853 8.006 1.00 1.37 H new ATOM 0 HB2 ALA A 38 -0.183 7.097 8.215 1.00 1.37 H new ATOM 0 HB3 ALA A 38 0.818 7.972 7.032 1.00 1.37 H new ATOM 573 N LEU A 39 -2.174 9.745 5.615 1.00 1.05 N ATOM 574 CA LEU A 39 -2.330 10.921 4.771 1.00 0.97 C ATOM 575 C LEU A 39 -1.277 11.980 5.092 1.00 1.25 C ATOM 576 O LEU A 39 -0.787 12.644 4.186 1.00 1.37 O ATOM 577 CB LEU A 39 -3.761 11.485 4.821 1.00 1.04 C ATOM 578 CG LEU A 39 -4.228 12.039 6.184 1.00 1.13 C ATOM 579 CD1 LEU A 39 -5.054 13.311 5.970 1.00 1.78 C ATOM 580 CD2 LEU A 39 -5.086 11.021 6.942 1.00 1.80 C ATOM 0 H LEU A 39 -2.873 9.679 6.355 1.00 1.05 H new ATOM 0 HA LEU A 39 -2.163 10.605 3.741 1.00 0.97 H new ATOM 0 HB2 LEU A 39 -3.841 12.282 4.082 1.00 1.04 H new ATOM 0 HB3 LEU A 39 -4.450 10.697 4.517 1.00 1.04 H new ATOM 0 HG LEU A 39 -3.337 12.255 6.774 1.00 1.13 H new ATOM 0 HD11 LEU A 39 -5.382 13.699 6.935 1.00 1.78 H new ATOM 0 HD12 LEU A 39 -4.444 14.061 5.466 1.00 1.78 H new ATOM 0 HD13 LEU A 39 -5.925 13.080 5.357 1.00 1.78 H new ATOM 0 HD21 LEU A 39 -5.396 11.446 7.897 1.00 1.80 H new ATOM 0 HD22 LEU A 39 -5.968 10.776 6.350 1.00 1.80 H new ATOM 0 HD23 LEU A 39 -4.505 10.116 7.119 1.00 1.80 H new ATOM 592 N ALA A 40 -0.872 12.110 6.362 1.00 1.49 N ATOM 593 CA ALA A 40 0.014 13.180 6.807 1.00 1.86 C ATOM 594 C ALA A 40 1.362 13.098 6.095 1.00 1.84 C ATOM 595 O ALA A 40 2.010 14.111 5.856 1.00 2.30 O ATOM 596 CB ALA A 40 0.194 13.095 8.325 1.00 2.16 C ATOM 0 H ALA A 40 -1.153 11.472 7.107 1.00 1.49 H new ATOM 0 HA ALA A 40 -0.434 14.141 6.556 1.00 1.86 H new ATOM 0 HB1 ALA A 40 0.856 13.894 8.658 1.00 2.16 H new ATOM 0 HB2 ALA A 40 -0.775 13.199 8.813 1.00 2.16 H new ATOM 0 HB3 ALA A 40 0.630 12.131 8.586 1.00 2.16 H new ATOM 602 N THR A 41 1.771 11.872 5.762 1.00 1.44 N ATOM 603 CA THR A 41 2.979 11.584 5.014 1.00 1.39 C ATOM 604 C THR A 41 2.645 11.037 3.619 1.00 1.30 C ATOM 605 O THR A 41 3.557 10.642 2.895 1.00 1.37 O ATOM 606 CB THR A 41 3.839 10.652 5.878 1.00 1.40 C ATOM 607 OG1 THR A 41 5.032 10.288 5.211 1.00 1.58 O ATOM 608 CG2 THR A 41 3.074 9.413 6.358 1.00 2.63 C ATOM 0 H THR A 41 1.250 11.033 6.017 1.00 1.44 H new ATOM 0 HA THR A 41 3.557 12.486 4.813 1.00 1.39 H new ATOM 0 HB THR A 41 4.106 11.218 6.770 1.00 1.40 H new ATOM 0 HG1 THR A 41 4.916 10.407 4.245 1.00 1.58 H new ATOM 0 HG21 THR A 41 3.733 8.791 6.964 1.00 2.63 H new ATOM 0 HG22 THR A 41 2.217 9.723 6.955 1.00 2.63 H new ATOM 0 HG23 THR A 41 2.728 8.842 5.496 1.00 2.63 H new ATOM 616 N ASN A 42 1.355 11.020 3.262 1.00 1.20 N ATOM 617 CA ASN A 42 0.786 10.619 1.982 1.00 1.16 C ATOM 618 C ASN A 42 1.413 9.334 1.454 1.00 0.96 C ATOM 619 O ASN A 42 1.725 9.220 0.270 1.00 1.06 O ATOM 620 CB ASN A 42 0.789 11.795 0.981 1.00 1.47 C ATOM 621 CG ASN A 42 -0.630 12.210 0.599 1.00 2.26 C ATOM 622 OD1 ASN A 42 -1.037 13.337 0.857 1.00 3.51 O ATOM 623 ND2 ASN A 42 -1.411 11.323 -0.013 1.00 2.97 N ATOM 0 H ASN A 42 0.629 11.311 3.917 1.00 1.20 H new ATOM 0 HA ASN A 42 -0.263 10.366 2.134 1.00 1.16 H new ATOM 0 HB2 ASN A 42 1.312 12.645 1.419 1.00 1.47 H new ATOM 0 HB3 ASN A 42 1.339 11.509 0.084 1.00 1.47 H new ATOM 0 HD21 ASN A 42 -2.364 11.577 -0.275 1.00 2.97 H new ATOM 0 HD22 ASN A 42 -1.057 10.389 -0.221 1.00 2.97 H new ATOM 630 N LYS A 43 1.582 8.343 2.334 1.00 0.82 N ATOM 631 CA LYS A 43 2.246 7.096 1.986 1.00 0.74 C ATOM 632 C LYS A 43 1.572 5.923 2.659 1.00 0.71 C ATOM 633 O LYS A 43 0.780 6.125 3.574 1.00 0.77 O ATOM 634 CB LYS A 43 3.740 7.126 2.356 1.00 0.72 C ATOM 635 CG LYS A 43 3.957 7.317 3.864 1.00 2.18 C ATOM 636 CD LYS A 43 5.232 6.663 4.409 1.00 1.87 C ATOM 637 CE LYS A 43 6.502 7.247 3.779 1.00 1.48 C ATOM 638 NZ LYS A 43 7.706 6.738 4.467 1.00 1.95 N ATOM 0 H LYS A 43 1.262 8.388 3.302 1.00 0.82 H new ATOM 0 HA LYS A 43 2.166 6.979 0.905 1.00 0.74 H new ATOM 0 HB2 LYS A 43 4.211 6.196 2.037 1.00 0.72 H new ATOM 0 HB3 LYS A 43 4.231 7.934 1.814 1.00 0.72 H new ATOM 0 HG2 LYS A 43 3.990 8.385 4.082 1.00 2.18 H new ATOM 0 HG3 LYS A 43 3.098 6.909 4.397 1.00 2.18 H new ATOM 0 HD2 LYS A 43 5.272 6.796 5.490 1.00 1.87 H new ATOM 0 HD3 LYS A 43 5.196 5.590 4.220 1.00 1.87 H new ATOM 0 HE2 LYS A 43 6.543 6.985 2.722 1.00 1.48 H new ATOM 0 HE3 LYS A 43 6.476 8.335 3.837 1.00 1.48 H new ATOM 0 HZ1 LYS A 43 8.128 7.499 5.036 1.00 1.95 H new ATOM 0 HZ2 LYS A 43 7.442 5.947 5.088 1.00 1.95 H new ATOM 0 HZ3 LYS A 43 8.396 6.410 3.762 1.00 1.95 H new ATOM 652 N ALA A 44 1.955 4.716 2.248 1.00 0.83 N ATOM 653 CA ALA A 44 1.753 3.501 2.996 1.00 1.04 C ATOM 654 C ALA A 44 3.037 2.692 2.980 1.00 0.86 C ATOM 655 O ALA A 44 3.625 2.502 1.914 1.00 0.77 O ATOM 656 CB ALA A 44 0.593 2.713 2.391 1.00 1.38 C ATOM 0 H ALA A 44 2.428 4.564 1.357 1.00 0.83 H new ATOM 0 HA ALA A 44 1.500 3.731 4.031 1.00 1.04 H new ATOM 0 HB1 ALA A 44 0.442 1.795 2.958 1.00 1.38 H new ATOM 0 HB2 ALA A 44 -0.315 3.316 2.428 1.00 1.38 H new ATOM 0 HB3 ALA A 44 0.823 2.466 1.355 1.00 1.38 H new ATOM 662 N HIS A 45 3.444 2.216 4.160 1.00 0.90 N ATOM 663 CA HIS A 45 4.354 1.090 4.247 1.00 0.83 C ATOM 664 C HIS A 45 3.511 -0.174 4.358 1.00 0.79 C ATOM 665 O HIS A 45 2.526 -0.191 5.097 1.00 0.88 O ATOM 666 CB HIS A 45 5.408 1.260 5.349 1.00 0.96 C ATOM 667 CG HIS A 45 5.030 0.823 6.738 1.00 0.89 C ATOM 668 ND1 HIS A 45 5.210 1.566 7.880 1.00 1.09 N ATOM 669 CD2 HIS A 45 4.767 -0.465 7.121 1.00 0.93 C ATOM 670 CE1 HIS A 45 5.020 0.746 8.927 1.00 1.22 C ATOM 671 NE2 HIS A 45 4.758 -0.510 8.521 1.00 1.12 N ATOM 0 H HIS A 45 3.154 2.597 5.061 1.00 0.90 H new ATOM 0 HA HIS A 45 4.963 1.019 3.346 1.00 0.83 H new ATOM 0 HB2 HIS A 45 6.299 0.707 5.052 1.00 0.96 H new ATOM 0 HB3 HIS A 45 5.686 2.313 5.391 1.00 0.96 H new ATOM 0 HD1 HIS A 45 5.445 2.558 7.924 1.00 1.09 H new ATOM 0 HD2 HIS A 45 4.596 -1.301 6.459 1.00 0.93 H new ATOM 0 HE1 HIS A 45 5.071 1.055 9.961 1.00 1.22 H new ATOM 679 N ILE A 46 3.891 -1.197 3.600 1.00 0.66 N ATOM 680 CA ILE A 46 3.253 -2.496 3.512 1.00 0.51 C ATOM 681 C ILE A 46 4.247 -3.480 4.116 1.00 0.58 C ATOM 682 O ILE A 46 5.361 -3.603 3.611 1.00 0.70 O ATOM 683 CB ILE A 46 3.024 -2.815 2.025 1.00 0.68 C ATOM 684 CG1 ILE A 46 1.888 -2.015 1.361 1.00 0.68 C ATOM 685 CG2 ILE A 46 2.757 -4.286 1.689 1.00 0.98 C ATOM 686 CD1 ILE A 46 2.077 -0.500 1.320 1.00 1.43 C ATOM 0 H ILE A 46 4.708 -1.131 2.992 1.00 0.66 H new ATOM 0 HA ILE A 46 2.295 -2.539 4.030 1.00 0.51 H new ATOM 0 HB ILE A 46 3.993 -2.519 1.623 1.00 0.68 H new ATOM 0 HG12 ILE A 46 1.765 -2.375 0.339 1.00 0.68 H new ATOM 0 HG13 ILE A 46 0.960 -2.232 1.889 1.00 0.68 H new ATOM 0 HG21 ILE A 46 2.610 -4.393 0.614 1.00 0.98 H new ATOM 0 HG22 ILE A 46 3.608 -4.891 2.001 1.00 0.98 H new ATOM 0 HG23 ILE A 46 1.862 -4.622 2.212 1.00 0.98 H new ATOM 0 HD11 ILE A 46 1.218 -0.039 0.831 1.00 1.43 H new ATOM 0 HD12 ILE A 46 2.165 -0.117 2.337 1.00 1.43 H new ATOM 0 HD13 ILE A 46 2.983 -0.261 0.763 1.00 1.43 H new ATOM 698 N LYS A 47 3.838 -4.179 5.170 1.00 0.60 N ATOM 699 CA LYS A 47 4.540 -5.351 5.680 1.00 0.70 C ATOM 700 C LYS A 47 3.973 -6.590 4.997 1.00 0.55 C ATOM 701 O LYS A 47 2.902 -7.061 5.386 1.00 0.70 O ATOM 702 CB LYS A 47 4.441 -5.475 7.201 1.00 0.82 C ATOM 703 CG LYS A 47 5.083 -4.279 7.914 1.00 0.93 C ATOM 704 CD LYS A 47 5.365 -4.659 9.376 1.00 1.49 C ATOM 705 CE LYS A 47 6.134 -3.576 10.145 1.00 1.69 C ATOM 706 NZ LYS A 47 5.322 -2.371 10.404 1.00 3.28 N ATOM 0 H LYS A 47 2.999 -3.944 5.700 1.00 0.60 H new ATOM 0 HA LYS A 47 5.601 -5.247 5.453 1.00 0.70 H new ATOM 0 HB2 LYS A 47 3.393 -5.552 7.492 1.00 0.82 H new ATOM 0 HB3 LYS A 47 4.929 -6.395 7.523 1.00 0.82 H new ATOM 0 HG2 LYS A 47 6.009 -3.995 7.414 1.00 0.93 H new ATOM 0 HG3 LYS A 47 4.420 -3.415 7.871 1.00 0.93 H new ATOM 0 HD2 LYS A 47 4.420 -4.853 9.883 1.00 1.49 H new ATOM 0 HD3 LYS A 47 5.936 -5.587 9.400 1.00 1.49 H new ATOM 0 HE2 LYS A 47 6.479 -3.987 11.094 1.00 1.69 H new ATOM 0 HE3 LYS A 47 7.021 -3.295 9.578 1.00 1.69 H new ATOM 0 HZ1 LYS A 47 5.649 -1.914 11.279 1.00 3.28 H new ATOM 0 HZ2 LYS A 47 5.421 -1.708 9.609 1.00 3.28 H new ATOM 0 HZ3 LYS A 47 4.323 -2.641 10.507 1.00 3.28 H new ATOM 720 N TYR A 48 4.672 -7.096 3.978 1.00 0.58 N ATOM 721 CA TYR A 48 4.265 -8.288 3.245 1.00 0.55 C ATOM 722 C TYR A 48 5.439 -9.214 2.950 1.00 0.66 C ATOM 723 O TYR A 48 6.581 -8.762 2.915 1.00 0.77 O ATOM 724 CB TYR A 48 3.515 -7.904 1.959 1.00 0.54 C ATOM 725 CG TYR A 48 4.324 -7.491 0.736 1.00 0.53 C ATOM 726 CD1 TYR A 48 5.559 -6.820 0.828 1.00 1.88 C ATOM 727 CD2 TYR A 48 3.784 -7.750 -0.534 1.00 1.64 C ATOM 728 CE1 TYR A 48 6.315 -6.569 -0.329 1.00 1.88 C ATOM 729 CE2 TYR A 48 4.509 -7.446 -1.695 1.00 1.81 C ATOM 730 CZ TYR A 48 5.794 -6.893 -1.590 1.00 0.90 C ATOM 731 OH TYR A 48 6.537 -6.679 -2.710 1.00 1.26 O ATOM 0 H TYR A 48 5.542 -6.684 3.639 1.00 0.58 H new ATOM 0 HA TYR A 48 3.583 -8.847 3.885 1.00 0.55 H new ATOM 0 HB2 TYR A 48 2.893 -8.752 1.673 1.00 0.54 H new ATOM 0 HB3 TYR A 48 2.841 -7.083 2.202 1.00 0.54 H new ATOM 0 HD1 TYR A 48 5.926 -6.497 1.791 1.00 1.88 H new ATOM 0 HD2 TYR A 48 2.800 -8.188 -0.617 1.00 1.64 H new ATOM 0 HE1 TYR A 48 7.297 -6.127 -0.247 1.00 1.88 H new ATOM 0 HE2 TYR A 48 4.079 -7.637 -2.667 1.00 1.81 H new ATOM 0 HH TYR A 48 7.472 -6.527 -2.458 1.00 1.26 H new ATOM 741 N ASP A 49 5.164 -10.492 2.679 1.00 0.76 N ATOM 742 CA ASP A 49 6.137 -11.348 2.022 1.00 0.77 C ATOM 743 C ASP A 49 6.020 -11.051 0.523 1.00 0.77 C ATOM 744 O ASP A 49 4.929 -11.206 -0.028 1.00 0.94 O ATOM 745 CB ASP A 49 5.830 -12.817 2.334 1.00 0.91 C ATOM 746 CG ASP A 49 6.684 -13.801 1.537 1.00 2.16 C ATOM 747 OD1 ASP A 49 7.501 -13.341 0.707 1.00 3.51 O ATOM 748 OD2 ASP A 49 6.494 -15.011 1.769 1.00 2.97 O ATOM 0 H ASP A 49 4.280 -10.948 2.905 1.00 0.76 H new ATOM 0 HA ASP A 49 7.153 -11.160 2.368 1.00 0.77 H new ATOM 0 HB2 ASP A 49 5.984 -12.994 3.398 1.00 0.91 H new ATOM 0 HB3 ASP A 49 4.778 -13.012 2.128 1.00 0.91 H new ATOM 753 N PRO A 50 7.080 -10.591 -0.154 1.00 0.73 N ATOM 754 CA PRO A 50 7.026 -10.366 -1.583 1.00 0.74 C ATOM 755 C PRO A 50 6.791 -11.674 -2.346 1.00 0.86 C ATOM 756 O PRO A 50 6.013 -11.692 -3.301 1.00 1.29 O ATOM 757 CB PRO A 50 8.361 -9.706 -1.946 1.00 0.75 C ATOM 758 CG PRO A 50 9.317 -10.174 -0.848 1.00 0.80 C ATOM 759 CD PRO A 50 8.412 -10.340 0.371 1.00 0.78 C ATOM 0 HA PRO A 50 6.190 -9.725 -1.863 1.00 0.74 H new ATOM 0 HB2 PRO A 50 8.704 -10.017 -2.933 1.00 0.75 H new ATOM 0 HB3 PRO A 50 8.277 -8.619 -1.965 1.00 0.75 H new ATOM 0 HG2 PRO A 50 9.806 -11.111 -1.115 1.00 0.80 H new ATOM 0 HG3 PRO A 50 10.106 -9.444 -0.665 1.00 0.80 H new ATOM 0 HD2 PRO A 50 8.747 -11.167 0.997 1.00 0.78 H new ATOM 0 HD3 PRO A 50 8.425 -9.444 0.992 1.00 0.78 H new ATOM 767 N GLU A 51 7.427 -12.776 -1.937 1.00 0.89 N ATOM 768 CA GLU A 51 7.637 -13.967 -2.756 1.00 1.00 C ATOM 769 C GLU A 51 6.441 -14.925 -2.697 1.00 1.18 C ATOM 770 O GLU A 51 6.596 -16.135 -2.860 1.00 2.13 O ATOM 771 CB GLU A 51 8.940 -14.640 -2.300 1.00 1.34 C ATOM 772 CG GLU A 51 10.167 -13.778 -2.652 1.00 2.43 C ATOM 773 CD GLU A 51 11.267 -13.898 -1.611 1.00 3.03 C ATOM 774 OE1 GLU A 51 10.973 -13.730 -0.405 1.00 3.72 O ATOM 775 OE2 GLU A 51 12.442 -14.127 -1.979 1.00 3.65 O ATOM 0 H GLU A 51 7.820 -12.864 -1.000 1.00 0.89 H new ATOM 0 HA GLU A 51 7.725 -13.678 -3.803 1.00 1.00 H new ATOM 0 HB2 GLU A 51 8.908 -14.808 -1.224 1.00 1.34 H new ATOM 0 HB3 GLU A 51 9.032 -15.618 -2.773 1.00 1.34 H new ATOM 0 HG2 GLU A 51 10.555 -14.080 -3.625 1.00 2.43 H new ATOM 0 HG3 GLU A 51 9.864 -12.735 -2.740 1.00 2.43 H new ATOM 782 N ILE A 52 5.243 -14.370 -2.520 1.00 0.80 N ATOM 783 CA ILE A 52 3.975 -15.087 -2.595 1.00 0.82 C ATOM 784 C ILE A 52 2.967 -14.281 -3.417 1.00 0.80 C ATOM 785 O ILE A 52 2.341 -14.807 -4.333 1.00 1.08 O ATOM 786 CB ILE A 52 3.454 -15.456 -1.189 1.00 0.86 C ATOM 787 CG1 ILE A 52 3.326 -14.267 -0.224 1.00 0.82 C ATOM 788 CG2 ILE A 52 4.329 -16.569 -0.593 1.00 1.21 C ATOM 789 CD1 ILE A 52 2.815 -14.675 1.161 1.00 0.95 C ATOM 0 H ILE A 52 5.127 -13.378 -2.314 1.00 0.80 H new ATOM 0 HA ILE A 52 4.129 -16.034 -3.111 1.00 0.82 H new ATOM 0 HB ILE A 52 2.433 -15.813 -1.320 1.00 0.86 H new ATOM 0 HG12 ILE A 52 4.298 -13.784 -0.119 1.00 0.82 H new ATOM 0 HG13 ILE A 52 2.648 -13.529 -0.653 1.00 0.82 H new ATOM 0 HG21 ILE A 52 3.961 -16.829 0.399 1.00 1.21 H new ATOM 0 HG22 ILE A 52 4.289 -17.448 -1.237 1.00 1.21 H new ATOM 0 HG23 ILE A 52 5.359 -16.221 -0.518 1.00 1.21 H new ATOM 0 HD11 ILE A 52 2.746 -13.793 1.798 1.00 0.95 H new ATOM 0 HD12 ILE A 52 1.830 -15.132 1.065 1.00 0.95 H new ATOM 0 HD13 ILE A 52 3.505 -15.391 1.607 1.00 0.95 H new ATOM 801 N ILE A 53 2.818 -13.003 -3.078 1.00 0.74 N ATOM 802 CA ILE A 53 1.838 -12.094 -3.660 1.00 0.72 C ATOM 803 C ILE A 53 2.453 -11.247 -4.779 1.00 0.70 C ATOM 804 O ILE A 53 1.834 -11.037 -5.820 1.00 0.86 O ATOM 805 CB ILE A 53 1.188 -11.254 -2.541 1.00 0.80 C ATOM 806 CG1 ILE A 53 0.343 -10.120 -3.131 1.00 1.02 C ATOM 807 CG2 ILE A 53 2.190 -10.660 -1.544 1.00 0.78 C ATOM 808 CD1 ILE A 53 -0.769 -9.705 -2.169 1.00 1.17 C ATOM 0 H ILE A 53 3.397 -12.558 -2.366 1.00 0.74 H new ATOM 0 HA ILE A 53 1.046 -12.669 -4.139 1.00 0.72 H new ATOM 0 HB ILE A 53 0.560 -11.953 -1.989 1.00 0.80 H new ATOM 0 HG12 ILE A 53 0.980 -9.262 -3.347 1.00 1.02 H new ATOM 0 HG13 ILE A 53 -0.092 -10.441 -4.078 1.00 1.02 H new ATOM 0 HG21 ILE A 53 1.654 -10.084 -0.789 1.00 0.78 H new ATOM 0 HG22 ILE A 53 2.743 -11.465 -1.061 1.00 0.78 H new ATOM 0 HG23 ILE A 53 2.886 -10.008 -2.072 1.00 0.78 H new ATOM 0 HD11 ILE A 53 -1.353 -8.899 -2.614 1.00 1.17 H new ATOM 0 HD12 ILE A 53 -1.419 -10.558 -1.974 1.00 1.17 H new ATOM 0 HD13 ILE A 53 -0.330 -9.361 -1.232 1.00 1.17 H new ATOM 820 N GLY A 54 3.676 -10.759 -4.572 1.00 0.83 N ATOM 821 CA GLY A 54 4.349 -9.865 -5.496 1.00 0.81 C ATOM 822 C GLY A 54 3.868 -8.418 -5.323 1.00 0.67 C ATOM 823 O GLY A 54 2.718 -8.173 -4.963 1.00 0.66 O ATOM 0 H GLY A 54 4.229 -10.981 -3.744 1.00 0.83 H new ATOM 0 HA2 GLY A 54 5.426 -9.914 -5.334 1.00 0.81 H new ATOM 0 HA3 GLY A 54 4.166 -10.191 -6.520 1.00 0.81 H new ATOM 827 N PRO A 55 4.743 -7.429 -5.563 1.00 0.62 N ATOM 828 CA PRO A 55 4.409 -6.016 -5.425 1.00 0.57 C ATOM 829 C PRO A 55 3.312 -5.598 -6.410 1.00 0.55 C ATOM 830 O PRO A 55 2.469 -4.766 -6.082 1.00 0.54 O ATOM 831 CB PRO A 55 5.718 -5.260 -5.681 1.00 0.67 C ATOM 832 CG PRO A 55 6.549 -6.225 -6.528 1.00 0.73 C ATOM 833 CD PRO A 55 6.104 -7.604 -6.040 1.00 0.71 C ATOM 0 HA PRO A 55 4.008 -5.794 -4.436 1.00 0.57 H new ATOM 0 HB2 PRO A 55 5.540 -4.322 -6.206 1.00 0.67 H new ATOM 0 HB3 PRO A 55 6.224 -5.012 -4.748 1.00 0.67 H new ATOM 0 HG2 PRO A 55 6.354 -6.094 -7.592 1.00 0.73 H new ATOM 0 HG3 PRO A 55 7.618 -6.072 -6.378 1.00 0.73 H new ATOM 0 HD2 PRO A 55 6.146 -8.337 -6.845 1.00 0.71 H new ATOM 0 HD3 PRO A 55 6.755 -7.967 -5.244 1.00 0.71 H new ATOM 841 N ARG A 56 3.338 -6.165 -7.621 1.00 0.62 N ATOM 842 CA ARG A 56 2.405 -5.837 -8.690 1.00 0.67 C ATOM 843 C ARG A 56 0.951 -5.896 -8.227 1.00 0.59 C ATOM 844 O ARG A 56 0.211 -4.945 -8.471 1.00 0.59 O ATOM 845 CB ARG A 56 2.635 -6.769 -9.891 1.00 0.81 C ATOM 846 CG ARG A 56 3.816 -6.315 -10.758 1.00 1.83 C ATOM 847 CD ARG A 56 3.408 -5.147 -11.668 1.00 2.90 C ATOM 848 NE ARG A 56 4.535 -4.677 -12.486 1.00 3.85 N ATOM 849 CZ ARG A 56 4.467 -3.654 -13.355 1.00 5.17 C ATOM 850 NH1 ARG A 56 3.313 -3.006 -13.548 1.00 6.05 N ATOM 851 NH2 ARG A 56 5.561 -3.280 -14.029 1.00 6.20 N ATOM 0 H ARG A 56 4.021 -6.875 -7.884 1.00 0.62 H new ATOM 0 HA ARG A 56 2.597 -4.808 -8.993 1.00 0.67 H new ATOM 0 HB2 ARG A 56 2.818 -7.782 -9.533 1.00 0.81 H new ATOM 0 HB3 ARG A 56 1.732 -6.804 -10.500 1.00 0.81 H new ATOM 0 HG2 ARG A 56 4.646 -6.012 -10.120 1.00 1.83 H new ATOM 0 HG3 ARG A 56 4.169 -7.149 -11.365 1.00 1.83 H new ATOM 0 HD2 ARG A 56 2.592 -5.460 -12.319 1.00 2.90 H new ATOM 0 HD3 ARG A 56 3.032 -4.325 -11.059 1.00 2.90 H new ATOM 0 HE ARG A 56 5.428 -5.159 -12.388 1.00 3.85 H new ATOM 0 HH11 ARG A 56 2.478 -3.287 -13.034 1.00 6.05 H new ATOM 0 HH12 ARG A 56 3.268 -2.230 -14.209 1.00 6.05 H new ATOM 0 HH21 ARG A 56 6.443 -3.771 -13.882 1.00 6.20 H new ATOM 0 HH22 ARG A 56 5.513 -2.504 -14.689 1.00 6.20 H new ATOM 865 N ASP A 57 0.548 -6.997 -7.581 1.00 0.57 N ATOM 866 CA ASP A 57 -0.825 -7.180 -7.119 1.00 0.56 C ATOM 867 C ASP A 57 -1.250 -5.971 -6.290 1.00 0.49 C ATOM 868 O ASP A 57 -2.218 -5.283 -6.600 1.00 0.49 O ATOM 869 CB ASP A 57 -0.940 -8.466 -6.284 1.00 0.59 C ATOM 870 CG ASP A 57 -2.359 -8.661 -5.752 1.00 1.53 C ATOM 871 OD1 ASP A 57 -3.290 -8.110 -6.372 1.00 2.62 O ATOM 872 OD2 ASP A 57 -2.503 -9.342 -4.713 1.00 2.33 O ATOM 0 H ASP A 57 1.165 -7.781 -7.367 1.00 0.57 H new ATOM 0 HA ASP A 57 -1.484 -7.271 -7.983 1.00 0.56 H new ATOM 0 HB2 ASP A 57 -0.658 -9.324 -6.894 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -0.240 -8.424 -5.450 1.00 0.59 H new ATOM 877 N ILE A 58 -0.473 -5.684 -5.251 1.00 0.45 N ATOM 878 CA ILE A 58 -0.696 -4.575 -4.339 1.00 0.41 C ATOM 879 C ILE A 58 -0.736 -3.237 -5.080 1.00 0.43 C ATOM 880 O ILE A 58 -1.699 -2.482 -4.941 1.00 0.47 O ATOM 881 CB ILE A 58 0.356 -4.669 -3.220 1.00 0.48 C ATOM 882 CG1 ILE A 58 -0.133 -5.766 -2.258 1.00 0.61 C ATOM 883 CG2 ILE A 58 0.608 -3.334 -2.513 1.00 0.49 C ATOM 884 CD1 ILE A 58 0.816 -6.018 -1.093 1.00 1.01 C ATOM 0 H ILE A 58 0.353 -6.235 -5.016 1.00 0.45 H new ATOM 0 HA ILE A 58 -1.679 -4.636 -3.873 1.00 0.41 H new ATOM 0 HB ILE A 58 1.330 -4.925 -3.638 1.00 0.48 H new ATOM 0 HG12 ILE A 58 -1.111 -5.485 -1.866 1.00 0.61 H new ATOM 0 HG13 ILE A 58 -0.267 -6.693 -2.815 1.00 0.61 H new ATOM 0 HG21 ILE A 58 1.360 -3.470 -1.736 1.00 0.49 H new ATOM 0 HG22 ILE A 58 0.963 -2.600 -3.237 1.00 0.49 H new ATOM 0 HG23 ILE A 58 -0.319 -2.980 -2.063 1.00 0.49 H new ATOM 0 HD11 ILE A 58 0.409 -6.803 -0.455 1.00 1.01 H new ATOM 0 HD12 ILE A 58 1.788 -6.329 -1.476 1.00 1.01 H new ATOM 0 HD13 ILE A 58 0.931 -5.102 -0.513 1.00 1.01 H new ATOM 896 N ILE A 59 0.291 -2.933 -5.871 1.00 0.47 N ATOM 897 CA ILE A 59 0.366 -1.667 -6.586 1.00 0.54 C ATOM 898 C ILE A 59 -0.869 -1.498 -7.486 1.00 0.55 C ATOM 899 O ILE A 59 -1.597 -0.511 -7.365 1.00 0.57 O ATOM 900 CB ILE A 59 1.725 -1.577 -7.309 1.00 0.65 C ATOM 901 CG1 ILE A 59 2.846 -1.360 -6.276 1.00 0.96 C ATOM 902 CG2 ILE A 59 1.761 -0.488 -8.389 1.00 0.87 C ATOM 903 CD1 ILE A 59 4.236 -1.628 -6.862 1.00 1.40 C ATOM 0 H ILE A 59 1.086 -3.552 -6.031 1.00 0.47 H new ATOM 0 HA ILE A 59 0.334 -0.817 -5.904 1.00 0.54 H new ATOM 0 HB ILE A 59 1.880 -2.522 -7.829 1.00 0.65 H new ATOM 0 HG12 ILE A 59 2.802 -0.336 -5.905 1.00 0.96 H new ATOM 0 HG13 ILE A 59 2.682 -2.016 -5.421 1.00 0.96 H new ATOM 0 HG21 ILE A 59 2.744 -0.475 -8.860 1.00 0.87 H new ATOM 0 HG22 ILE A 59 1.000 -0.696 -9.141 1.00 0.87 H new ATOM 0 HG23 ILE A 59 1.565 0.483 -7.934 1.00 0.87 H new ATOM 0 HD11 ILE A 59 4.992 -1.461 -6.095 1.00 1.40 H new ATOM 0 HD12 ILE A 59 4.292 -2.660 -7.209 1.00 1.40 H new ATOM 0 HD13 ILE A 59 4.414 -0.954 -7.700 1.00 1.40 H new ATOM 915 N HIS A 60 -1.149 -2.469 -8.357 1.00 0.63 N ATOM 916 CA HIS A 60 -2.300 -2.390 -9.250 1.00 0.73 C ATOM 917 C HIS A 60 -3.622 -2.409 -8.476 1.00 0.62 C ATOM 918 O HIS A 60 -4.582 -1.742 -8.864 1.00 0.60 O ATOM 919 CB HIS A 60 -2.216 -3.481 -10.322 1.00 1.02 C ATOM 920 CG HIS A 60 -1.096 -3.214 -11.296 1.00 1.63 C ATOM 921 ND1 HIS A 60 -0.948 -2.066 -12.040 1.00 2.67 N ATOM 922 CD2 HIS A 60 -0.003 -4.003 -11.538 1.00 1.90 C ATOM 923 CE1 HIS A 60 0.208 -2.162 -12.712 1.00 3.13 C ATOM 924 NE2 HIS A 60 0.831 -3.326 -12.439 1.00 2.68 N ATOM 0 H HIS A 60 -0.593 -3.318 -8.461 1.00 0.63 H new ATOM 0 HA HIS A 60 -2.276 -1.430 -9.765 1.00 0.73 H new ATOM 0 HB2 HIS A 60 -2.062 -4.449 -9.846 1.00 1.02 H new ATOM 0 HB3 HIS A 60 -3.162 -3.537 -10.860 1.00 1.02 H new ATOM 0 HD1 HIS A 60 -1.601 -1.283 -12.074 1.00 2.67 H new ATOM 0 HD2 HIS A 60 0.184 -4.977 -11.110 1.00 1.90 H new ATOM 0 HE1 HIS A 60 0.590 -1.407 -13.383 1.00 3.13 H new ATOM 932 N THR A 61 -3.676 -3.121 -7.348 1.00 0.60 N ATOM 933 CA THR A 61 -4.823 -3.049 -6.459 1.00 0.59 C ATOM 934 C THR A 61 -5.040 -1.600 -6.042 1.00 0.50 C ATOM 935 O THR A 61 -6.147 -1.105 -6.198 1.00 0.54 O ATOM 936 CB THR A 61 -4.688 -3.999 -5.258 1.00 0.64 C ATOM 937 OG1 THR A 61 -4.790 -5.330 -5.712 1.00 0.68 O ATOM 938 CG2 THR A 61 -5.804 -3.781 -4.227 1.00 0.68 C ATOM 0 H THR A 61 -2.937 -3.751 -7.035 1.00 0.60 H new ATOM 0 HA THR A 61 -5.709 -3.391 -6.993 1.00 0.59 H new ATOM 0 HB THR A 61 -3.724 -3.799 -4.789 1.00 0.64 H new ATOM 0 HG1 THR A 61 -3.940 -5.605 -6.114 1.00 0.68 H new ATOM 0 HG21 THR A 61 -5.671 -4.472 -3.395 1.00 0.68 H new ATOM 0 HG22 THR A 61 -5.763 -2.756 -3.857 1.00 0.68 H new ATOM 0 HG23 THR A 61 -6.772 -3.959 -4.695 1.00 0.68 H new ATOM 946 N ILE A 62 -4.021 -0.899 -5.535 1.00 0.45 N ATOM 947 CA ILE A 62 -4.193 0.481 -5.082 1.00 0.47 C ATOM 948 C ILE A 62 -4.561 1.402 -6.249 1.00 0.50 C ATOM 949 O ILE A 62 -5.426 2.269 -6.105 1.00 0.58 O ATOM 950 CB ILE A 62 -2.940 0.987 -4.365 1.00 0.60 C ATOM 951 CG1 ILE A 62 -2.641 0.133 -3.124 1.00 0.69 C ATOM 952 CG2 ILE A 62 -3.123 2.450 -3.929 1.00 0.78 C ATOM 953 CD1 ILE A 62 -1.163 0.280 -2.787 1.00 2.37 C ATOM 0 H ILE A 62 -3.074 -1.264 -5.429 1.00 0.45 H new ATOM 0 HA ILE A 62 -5.017 0.494 -4.369 1.00 0.47 H new ATOM 0 HB ILE A 62 -2.106 0.914 -5.063 1.00 0.60 H new ATOM 0 HG12 ILE A 62 -3.256 0.456 -2.284 1.00 0.69 H new ATOM 0 HG13 ILE A 62 -2.885 -0.912 -3.315 1.00 0.69 H new ATOM 0 HG21 ILE A 62 -2.222 2.794 -3.421 1.00 0.78 H new ATOM 0 HG22 ILE A 62 -3.304 3.071 -4.806 1.00 0.78 H new ATOM 0 HG23 ILE A 62 -3.973 2.524 -3.251 1.00 0.78 H new ATOM 0 HD11 ILE A 62 -0.929 -0.319 -1.907 1.00 2.37 H new ATOM 0 HD12 ILE A 62 -0.562 -0.062 -3.629 1.00 2.37 H new ATOM 0 HD13 ILE A 62 -0.939 1.327 -2.583 1.00 2.37 H new ATOM 965 N GLU A 63 -3.901 1.215 -7.395 1.00 0.48 N ATOM 966 CA GLU A 63 -4.195 1.918 -8.627 1.00 0.56 C ATOM 967 C GLU A 63 -5.702 1.837 -8.902 1.00 0.64 C ATOM 968 O GLU A 63 -6.374 2.853 -9.071 1.00 0.79 O ATOM 969 CB GLU A 63 -3.338 1.268 -9.719 1.00 0.63 C ATOM 970 CG GLU A 63 -3.307 2.058 -11.021 1.00 0.86 C ATOM 971 CD GLU A 63 -2.412 1.377 -12.051 1.00 2.02 C ATOM 972 OE1 GLU A 63 -2.490 0.131 -12.141 1.00 2.48 O ATOM 973 OE2 GLU A 63 -1.640 2.101 -12.713 1.00 3.40 O ATOM 0 H GLU A 63 -3.130 0.553 -7.484 1.00 0.48 H new ATOM 0 HA GLU A 63 -3.952 2.980 -8.582 1.00 0.56 H new ATOM 0 HB2 GLU A 63 -2.319 1.153 -9.349 1.00 0.63 H new ATOM 0 HB3 GLU A 63 -3.719 0.267 -9.920 1.00 0.63 H new ATOM 0 HG2 GLU A 63 -4.318 2.152 -11.418 1.00 0.86 H new ATOM 0 HG3 GLU A 63 -2.944 3.068 -10.829 1.00 0.86 H new ATOM 980 N SER A 64 -6.238 0.614 -8.870 1.00 0.59 N ATOM 981 CA SER A 64 -7.663 0.352 -9.042 1.00 0.63 C ATOM 982 C SER A 64 -8.488 0.965 -7.898 1.00 0.57 C ATOM 983 O SER A 64 -9.537 1.568 -8.114 1.00 0.64 O ATOM 984 CB SER A 64 -7.869 -1.161 -9.166 1.00 0.70 C ATOM 985 OG SER A 64 -9.213 -1.472 -9.480 1.00 1.00 O ATOM 0 H SER A 64 -5.685 -0.230 -8.722 1.00 0.59 H new ATOM 0 HA SER A 64 -8.020 0.830 -9.954 1.00 0.63 H new ATOM 0 HB2 SER A 64 -7.211 -1.558 -9.939 1.00 0.70 H new ATOM 0 HB3 SER A 64 -7.590 -1.646 -8.231 1.00 0.70 H new ATOM 0 HG SER A 64 -9.315 -2.444 -9.555 1.00 1.00 H new ATOM 991 N LEU A 65 -8.008 0.801 -6.663 1.00 0.58 N ATOM 992 CA LEU A 65 -8.664 1.213 -5.431 1.00 0.69 C ATOM 993 C LEU A 65 -8.922 2.713 -5.418 1.00 0.69 C ATOM 994 O LEU A 65 -9.931 3.158 -4.856 1.00 0.91 O ATOM 995 CB LEU A 65 -7.792 0.815 -4.237 1.00 0.88 C ATOM 996 CG LEU A 65 -8.530 0.879 -2.903 1.00 1.01 C ATOM 997 CD1 LEU A 65 -9.604 -0.212 -2.839 1.00 1.99 C ATOM 998 CD2 LEU A 65 -7.513 0.693 -1.776 1.00 2.43 C ATOM 0 H LEU A 65 -7.107 0.355 -6.492 1.00 0.58 H new ATOM 0 HA LEU A 65 -9.629 0.711 -5.365 1.00 0.69 H new ATOM 0 HB2 LEU A 65 -7.419 -0.198 -4.390 1.00 0.88 H new ATOM 0 HB3 LEU A 65 -6.923 1.472 -4.196 1.00 0.88 H new ATOM 0 HG LEU A 65 -9.024 1.845 -2.798 1.00 1.01 H new ATOM 0 HD11 LEU A 65 -10.123 -0.156 -1.882 1.00 1.99 H new ATOM 0 HD12 LEU A 65 -10.319 -0.067 -3.649 1.00 1.99 H new ATOM 0 HD13 LEU A 65 -9.135 -1.191 -2.940 1.00 1.99 H new ATOM 0 HD21 LEU A 65 -8.024 0.736 -0.814 1.00 2.43 H new ATOM 0 HD22 LEU A 65 -7.023 -0.275 -1.884 1.00 2.43 H new ATOM 0 HD23 LEU A 65 -6.766 1.485 -1.826 1.00 2.43 H new ATOM 1010 N GLY A 66 -7.996 3.461 -6.019 1.00 0.75 N ATOM 1011 CA GLY A 66 -8.284 4.751 -6.624 1.00 0.71 C ATOM 1012 C GLY A 66 -7.276 5.810 -6.206 1.00 0.52 C ATOM 1013 O GLY A 66 -7.660 6.954 -5.970 1.00 0.63 O ATOM 0 H GLY A 66 -7.018 3.181 -6.097 1.00 0.75 H new ATOM 0 HA2 GLY A 66 -8.278 4.652 -7.710 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -9.286 5.071 -6.338 1.00 0.71 H new ATOM 1017 N PHE A 67 -5.997 5.436 -6.116 1.00 0.44 N ATOM 1018 CA PHE A 67 -4.933 6.333 -5.690 1.00 0.44 C ATOM 1019 C PHE A 67 -3.678 6.029 -6.505 1.00 0.53 C ATOM 1020 O PHE A 67 -3.671 5.076 -7.277 1.00 0.72 O ATOM 1021 CB PHE A 67 -4.681 6.161 -4.187 1.00 0.67 C ATOM 1022 CG PHE A 67 -5.924 6.093 -3.320 1.00 0.65 C ATOM 1023 CD1 PHE A 67 -6.700 7.248 -3.124 1.00 1.85 C ATOM 1024 CD2 PHE A 67 -6.368 4.859 -2.806 1.00 1.54 C ATOM 1025 CE1 PHE A 67 -7.909 7.174 -2.415 1.00 1.84 C ATOM 1026 CE2 PHE A 67 -7.550 4.795 -2.051 1.00 1.61 C ATOM 1027 CZ PHE A 67 -8.318 5.954 -1.848 1.00 0.78 C ATOM 0 H PHE A 67 -5.674 4.495 -6.339 1.00 0.44 H new ATOM 0 HA PHE A 67 -5.218 7.371 -5.862 1.00 0.44 H new ATOM 0 HB2 PHE A 67 -4.103 5.249 -4.035 1.00 0.67 H new ATOM 0 HB3 PHE A 67 -4.064 6.991 -3.842 1.00 0.67 H new ATOM 0 HD1 PHE A 67 -6.365 8.195 -3.520 1.00 1.85 H new ATOM 0 HD2 PHE A 67 -5.798 3.961 -2.993 1.00 1.54 H new ATOM 0 HE1 PHE A 67 -8.525 8.054 -2.305 1.00 1.84 H new ATOM 0 HE2 PHE A 67 -7.869 3.855 -1.626 1.00 1.61 H new ATOM 0 HZ PHE A 67 -9.221 5.908 -1.257 1.00 0.78 H new ATOM 1037 N GLU A 68 -2.624 6.829 -6.330 1.00 0.56 N ATOM 1038 CA GLU A 68 -1.393 6.767 -7.103 1.00 0.72 C ATOM 1039 C GLU A 68 -0.254 6.216 -6.228 1.00 0.87 C ATOM 1040 O GLU A 68 0.402 6.998 -5.534 1.00 1.13 O ATOM 1041 CB GLU A 68 -1.090 8.188 -7.596 1.00 0.91 C ATOM 1042 CG GLU A 68 0.099 8.246 -8.560 1.00 2.19 C ATOM 1043 CD GLU A 68 0.679 9.649 -8.586 1.00 2.82 C ATOM 1044 OE1 GLU A 68 0.018 10.522 -9.189 1.00 3.13 O ATOM 1045 OE2 GLU A 68 1.730 9.848 -7.937 1.00 3.96 O ATOM 0 H GLU A 68 -2.609 7.561 -5.620 1.00 0.56 H new ATOM 0 HA GLU A 68 -1.494 6.097 -7.957 1.00 0.72 H new ATOM 0 HB2 GLU A 68 -1.973 8.591 -8.092 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -0.887 8.829 -6.738 1.00 0.91 H new ATOM 0 HG2 GLU A 68 0.864 7.533 -8.251 1.00 2.19 H new ATOM 0 HG3 GLU A 68 -0.220 7.957 -9.561 1.00 2.19 H new ATOM 1052 N PRO A 69 -0.011 4.892 -6.228 1.00 0.81 N ATOM 1053 CA PRO A 69 1.033 4.261 -5.428 1.00 0.94 C ATOM 1054 C PRO A 69 2.419 4.476 -6.057 1.00 1.13 C ATOM 1055 O PRO A 69 3.069 3.524 -6.489 1.00 1.78 O ATOM 1056 CB PRO A 69 0.644 2.781 -5.373 1.00 0.84 C ATOM 1057 CG PRO A 69 -0.029 2.567 -6.725 1.00 0.78 C ATOM 1058 CD PRO A 69 -0.781 3.876 -6.932 1.00 0.71 C ATOM 0 HA PRO A 69 1.107 4.689 -4.428 1.00 0.94 H new ATOM 0 HB2 PRO A 69 1.514 2.137 -5.246 1.00 0.84 H new ATOM 0 HB3 PRO A 69 -0.032 2.570 -4.545 1.00 0.84 H new ATOM 0 HG2 PRO A 69 0.699 2.388 -7.516 1.00 0.78 H new ATOM 0 HG3 PRO A 69 -0.703 1.710 -6.712 1.00 0.78 H new ATOM 0 HD2 PRO A 69 -0.866 4.115 -7.992 1.00 0.71 H new ATOM 0 HD3 PRO A 69 -1.795 3.811 -6.538 1.00 0.71 H new ATOM 1066 N SER A 70 2.889 5.720 -6.104 1.00 1.04 N ATOM 1067 CA SER A 70 4.218 6.037 -6.612 1.00 1.22 C ATOM 1068 C SER A 70 5.284 5.642 -5.589 1.00 1.35 C ATOM 1069 O SER A 70 5.316 6.143 -4.466 1.00 1.63 O ATOM 1070 CB SER A 70 4.310 7.520 -6.958 1.00 1.37 C ATOM 1071 OG SER A 70 3.410 7.802 -8.013 1.00 2.14 O ATOM 0 H SER A 70 2.360 6.534 -5.791 1.00 1.04 H new ATOM 0 HA SER A 70 4.396 5.465 -7.523 1.00 1.22 H new ATOM 0 HB2 SER A 70 4.069 8.126 -6.085 1.00 1.37 H new ATOM 0 HB3 SER A 70 5.328 7.776 -7.252 1.00 1.37 H new ATOM 0 HG SER A 70 2.948 8.647 -7.832 1.00 2.14 H new ATOM 1077 N LEU A 71 6.185 4.745 -5.980 1.00 1.30 N ATOM 1078 CA LEU A 71 7.286 4.300 -5.138 1.00 1.39 C ATOM 1079 C LEU A 71 8.292 5.440 -4.983 1.00 1.42 C ATOM 1080 O LEU A 71 8.716 6.025 -5.975 1.00 1.74 O ATOM 1081 CB LEU A 71 7.965 3.058 -5.738 1.00 1.46 C ATOM 1082 CG LEU A 71 7.255 1.743 -5.376 1.00 2.55 C ATOM 1083 CD1 LEU A 71 5.813 1.684 -5.890 1.00 4.32 C ATOM 1084 CD2 LEU A 71 8.047 0.566 -5.956 1.00 2.86 C ATOM 0 H LEU A 71 6.169 4.304 -6.899 1.00 1.30 H new ATOM 0 HA LEU A 71 6.898 4.024 -4.158 1.00 1.39 H new ATOM 0 HB2 LEU A 71 7.998 3.159 -6.823 1.00 1.46 H new ATOM 0 HB3 LEU A 71 8.997 3.013 -5.391 1.00 1.46 H new ATOM 0 HG LEU A 71 7.212 1.687 -4.288 1.00 2.55 H new ATOM 0 HD11 LEU A 71 5.363 0.733 -5.604 1.00 4.32 H new ATOM 0 HD12 LEU A 71 5.238 2.502 -5.456 1.00 4.32 H new ATOM 0 HD13 LEU A 71 5.810 1.775 -6.976 1.00 4.32 H new ATOM 0 HD21 LEU A 71 7.548 -0.369 -5.702 1.00 2.86 H new ATOM 0 HD22 LEU A 71 8.103 0.664 -7.040 1.00 2.86 H new ATOM 0 HD23 LEU A 71 9.054 0.564 -5.539 1.00 2.86 H new