USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 SER OG : rot -37:sc= 0.667 USER MOD Set 1.3: A 45 HIS : no HE2:sc= -0.953 K(o=0.41,f=-17!) USER MOD Set 1.4: A 47 LYS NZ :NH3+ -162:sc= 0.691 (180deg=-0.461) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -166:sc= 2.13 (180deg=1.14) USER MOD Set 2.3: A 29 HIS : no HE2:sc= 1.62 K(o=5,f=-13!) USER MOD Set 2.4: A 61 THR OG1 : rot 79:sc= 1.21 USER MOD Set 3.1: A 20 HIS : no HD1:sc= 0.652 K(o=1.9,f=-5.1!) USER MOD Set 3.2: A 24 SER OG : rot 169:sc= 1.29 USER MOD Single : A 13 MET CE :methyl 162:sc= -0.339 (180deg=-0.868) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.0662 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -110:sc= -0.507 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 1.32 (180deg=0.788) USER MOD Single : A 27 THR OG1 : rot 13:sc= 0.567 USER MOD Single : A 35 CYS SG : rot 40:sc= -1.4 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 42 ASN : amide:sc= 0.493 K(o=0.49,f=-0.32) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 1.28 (180deg=1.18) USER MOD Single : A 48 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.949 K(o=0.95,f=-4.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -25:sc= 0.579 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.539 -5.094 3.540 1.00 0.88 N ATOM 47 CA VAL A 5 8.904 -3.824 3.868 1.00 0.96 C ATOM 48 C VAL A 5 8.884 -2.934 2.622 1.00 0.95 C ATOM 49 O VAL A 5 9.669 -1.995 2.495 1.00 1.64 O ATOM 50 CB VAL A 5 9.587 -3.161 5.079 1.00 1.25 C ATOM 51 CG1 VAL A 5 8.834 -1.888 5.500 1.00 1.82 C ATOM 52 CG2 VAL A 5 9.597 -4.134 6.264 1.00 2.18 C ATOM 0 HA VAL A 5 7.870 -3.991 4.170 1.00 0.96 H new ATOM 0 HB VAL A 5 10.606 -2.900 4.793 1.00 1.25 H new ATOM 0 HG11 VAL A 5 9.334 -1.436 6.357 1.00 1.82 H new ATOM 0 HG12 VAL A 5 8.824 -1.180 4.671 1.00 1.82 H new ATOM 0 HG13 VAL A 5 7.810 -2.144 5.771 1.00 1.82 H new ATOM 0 HG21 VAL A 5 10.081 -3.661 7.119 1.00 2.18 H new ATOM 0 HG22 VAL A 5 8.573 -4.398 6.527 1.00 2.18 H new ATOM 0 HG23 VAL A 5 10.145 -5.036 5.990 1.00 2.18 H new ATOM 62 N LEU A 6 7.991 -3.248 1.685 1.00 0.86 N ATOM 63 CA LEU A 6 7.800 -2.466 0.478 1.00 0.86 C ATOM 64 C LEU A 6 7.043 -1.190 0.855 1.00 0.82 C ATOM 65 O LEU A 6 5.873 -1.241 1.238 1.00 1.02 O ATOM 66 CB LEU A 6 7.092 -3.336 -0.572 1.00 1.06 C ATOM 67 CG LEU A 6 6.981 -2.781 -2.004 1.00 1.23 C ATOM 68 CD1 LEU A 6 5.918 -1.689 -2.147 1.00 2.43 C ATOM 69 CD2 LEU A 6 8.325 -2.296 -2.559 1.00 2.02 C ATOM 0 H LEU A 6 7.377 -4.060 1.749 1.00 0.86 H new ATOM 0 HA LEU A 6 8.742 -2.155 0.026 1.00 0.86 H new ATOM 0 HB2 LEU A 6 7.613 -4.292 -0.622 1.00 1.06 H new ATOM 0 HB3 LEU A 6 6.084 -3.541 -0.213 1.00 1.06 H new ATOM 0 HG LEU A 6 6.658 -3.630 -2.606 1.00 1.23 H new ATOM 0 HD11 LEU A 6 5.891 -1.341 -3.180 1.00 2.43 H new ATOM 0 HD12 LEU A 6 4.943 -2.093 -1.874 1.00 2.43 H new ATOM 0 HD13 LEU A 6 6.162 -0.855 -1.489 1.00 2.43 H new ATOM 0 HD21 LEU A 6 8.185 -1.916 -3.571 1.00 2.02 H new ATOM 0 HD22 LEU A 6 8.716 -1.501 -1.924 1.00 2.02 H new ATOM 0 HD23 LEU A 6 9.032 -3.126 -2.578 1.00 2.02 H new ATOM 81 N GLU A 7 7.727 -0.048 0.764 1.00 0.74 N ATOM 82 CA GLU A 7 7.129 1.271 0.866 1.00 0.74 C ATOM 83 C GLU A 7 6.786 1.724 -0.551 1.00 0.78 C ATOM 84 O GLU A 7 7.685 1.798 -1.389 1.00 0.96 O ATOM 85 CB GLU A 7 8.135 2.253 1.473 1.00 0.83 C ATOM 86 CG GLU A 7 8.586 1.887 2.888 1.00 0.86 C ATOM 87 CD GLU A 7 9.695 2.828 3.337 1.00 1.48 C ATOM 88 OE1 GLU A 7 9.362 3.966 3.731 1.00 1.78 O ATOM 89 OE2 GLU A 7 10.872 2.422 3.219 1.00 2.94 O ATOM 0 H GLU A 7 8.736 -0.021 0.614 1.00 0.74 H new ATOM 0 HA GLU A 7 6.242 1.240 1.499 1.00 0.74 H new ATOM 0 HB2 GLU A 7 9.011 2.306 0.826 1.00 0.83 H new ATOM 0 HB3 GLU A 7 7.691 3.248 1.490 1.00 0.83 H new ATOM 0 HG2 GLU A 7 7.743 1.950 3.576 1.00 0.86 H new ATOM 0 HG3 GLU A 7 8.940 0.856 2.911 1.00 0.86 H new ATOM 96 N LEU A 8 5.520 2.046 -0.821 1.00 0.78 N ATOM 97 CA LEU A 8 5.120 2.675 -2.076 1.00 0.82 C ATOM 98 C LEU A 8 4.510 4.036 -1.751 1.00 0.79 C ATOM 99 O LEU A 8 3.980 4.223 -0.656 1.00 0.86 O ATOM 100 CB LEU A 8 4.221 1.739 -2.913 1.00 0.87 C ATOM 101 CG LEU A 8 2.900 1.309 -2.252 1.00 0.62 C ATOM 102 CD1 LEU A 8 1.796 2.350 -2.468 1.00 1.46 C ATOM 103 CD2 LEU A 8 2.420 -0.010 -2.869 1.00 1.54 C ATOM 0 H LEU A 8 4.747 1.878 -0.177 1.00 0.78 H new ATOM 0 HA LEU A 8 5.981 2.852 -2.721 1.00 0.82 H new ATOM 0 HB2 LEU A 8 3.989 2.236 -3.855 1.00 0.87 H new ATOM 0 HB3 LEU A 8 4.791 0.843 -3.158 1.00 0.87 H new ATOM 0 HG LEU A 8 3.092 1.201 -1.184 1.00 0.62 H new ATOM 0 HD11 LEU A 8 0.878 2.012 -1.987 1.00 1.46 H new ATOM 0 HD12 LEU A 8 2.103 3.302 -2.035 1.00 1.46 H new ATOM 0 HD13 LEU A 8 1.620 2.478 -3.536 1.00 1.46 H new ATOM 0 HD21 LEU A 8 1.484 -0.312 -2.399 1.00 1.54 H new ATOM 0 HD22 LEU A 8 2.262 0.125 -3.939 1.00 1.54 H new ATOM 0 HD23 LEU A 8 3.173 -0.782 -2.708 1.00 1.54 H new ATOM 115 N VAL A 9 4.619 4.995 -2.672 1.00 0.87 N ATOM 116 CA VAL A 9 4.034 6.320 -2.542 1.00 0.86 C ATOM 117 C VAL A 9 2.790 6.385 -3.426 1.00 0.76 C ATOM 118 O VAL A 9 2.893 6.227 -4.641 1.00 0.80 O ATOM 119 CB VAL A 9 5.069 7.416 -2.857 1.00 0.97 C ATOM 120 CG1 VAL A 9 4.424 8.746 -3.267 1.00 1.04 C ATOM 121 CG2 VAL A 9 5.921 7.697 -1.611 1.00 1.11 C ATOM 0 H VAL A 9 5.128 4.864 -3.546 1.00 0.87 H new ATOM 0 HA VAL A 9 3.727 6.505 -1.513 1.00 0.86 H new ATOM 0 HB VAL A 9 5.666 7.040 -3.688 1.00 0.97 H new ATOM 0 HG11 VAL A 9 5.203 9.479 -3.476 1.00 1.04 H new ATOM 0 HG12 VAL A 9 3.817 8.596 -4.160 1.00 1.04 H new ATOM 0 HG13 VAL A 9 3.793 9.109 -2.456 1.00 1.04 H new ATOM 0 HG21 VAL A 9 6.652 8.473 -1.838 1.00 1.11 H new ATOM 0 HG22 VAL A 9 5.277 8.032 -0.798 1.00 1.11 H new ATOM 0 HG23 VAL A 9 6.440 6.786 -1.312 1.00 1.11 H new ATOM 131 N VAL A 10 1.637 6.622 -2.798 1.00 0.84 N ATOM 132 CA VAL A 10 0.341 6.846 -3.410 1.00 0.66 C ATOM 133 C VAL A 10 -0.036 8.317 -3.274 1.00 0.80 C ATOM 134 O VAL A 10 -0.221 8.802 -2.161 1.00 1.25 O ATOM 135 CB VAL A 10 -0.754 5.974 -2.768 1.00 0.64 C ATOM 136 CG1 VAL A 10 -1.023 4.698 -3.558 1.00 1.39 C ATOM 137 CG2 VAL A 10 -0.441 5.566 -1.330 1.00 1.05 C ATOM 0 H VAL A 10 1.589 6.664 -1.780 1.00 0.84 H new ATOM 0 HA VAL A 10 0.415 6.569 -4.462 1.00 0.66 H new ATOM 0 HB VAL A 10 -1.636 6.615 -2.776 1.00 0.64 H new ATOM 0 HG11 VAL A 10 -1.803 4.120 -3.062 1.00 1.39 H new ATOM 0 HG12 VAL A 10 -1.348 4.956 -4.566 1.00 1.39 H new ATOM 0 HG13 VAL A 10 -0.111 4.104 -3.612 1.00 1.39 H new ATOM 0 HG21 VAL A 10 -1.254 4.954 -0.940 1.00 1.05 H new ATOM 0 HG22 VAL A 10 0.487 4.994 -1.308 1.00 1.05 H new ATOM 0 HG23 VAL A 10 -0.332 6.459 -0.714 1.00 1.05 H new ATOM 147 N ARG A 11 -0.239 9.005 -4.398 1.00 0.74 N ATOM 148 CA ARG A 11 -1.106 10.177 -4.400 1.00 0.75 C ATOM 149 C ARG A 11 -2.551 9.686 -4.521 1.00 0.74 C ATOM 150 O ARG A 11 -2.784 8.548 -4.940 1.00 0.86 O ATOM 151 CB ARG A 11 -0.749 11.145 -5.540 1.00 0.95 C ATOM 152 CG ARG A 11 0.684 11.688 -5.423 1.00 1.22 C ATOM 153 CD ARG A 11 1.648 10.901 -6.314 1.00 2.59 C ATOM 154 NE ARG A 11 3.051 11.244 -6.035 1.00 3.34 N ATOM 155 CZ ARG A 11 4.079 10.435 -6.336 1.00 4.71 C ATOM 156 NH1 ARG A 11 3.881 9.367 -7.104 1.00 5.57 N ATOM 157 NH2 ARG A 11 5.300 10.680 -5.846 1.00 5.78 N ATOM 0 H ARG A 11 0.177 8.775 -5.301 1.00 0.74 H new ATOM 0 HA ARG A 11 -0.974 10.737 -3.474 1.00 0.75 H new ATOM 0 HB2 ARG A 11 -0.864 10.634 -6.496 1.00 0.95 H new ATOM 0 HB3 ARG A 11 -1.451 11.979 -5.538 1.00 0.95 H new ATOM 0 HG2 ARG A 11 0.701 12.741 -5.705 1.00 1.22 H new ATOM 0 HG3 ARG A 11 1.014 11.631 -4.386 1.00 1.22 H new ATOM 0 HD2 ARG A 11 1.497 9.833 -6.159 1.00 2.59 H new ATOM 0 HD3 ARG A 11 1.425 11.106 -7.361 1.00 2.59 H new ATOM 0 HE ARG A 11 3.252 12.140 -5.591 1.00 3.34 H new ATOM 0 HH11 ARG A 11 2.949 9.163 -7.464 1.00 5.57 H new ATOM 0 HH12 ARG A 11 4.662 8.752 -7.333 1.00 5.57 H new ATOM 0 HH21 ARG A 11 5.454 11.486 -5.240 1.00 5.78 H new ATOM 0 HH22 ARG A 11 6.077 10.061 -6.079 1.00 5.78 H new ATOM 171 N GLY A 12 -3.512 10.546 -4.167 1.00 0.80 N ATOM 172 CA GLY A 12 -4.938 10.307 -4.361 1.00 0.89 C ATOM 173 C GLY A 12 -5.733 10.409 -3.058 1.00 0.74 C ATOM 174 O GLY A 12 -6.915 10.744 -3.088 1.00 0.89 O ATOM 0 H GLY A 12 -3.311 11.445 -3.729 1.00 0.80 H new ATOM 0 HA2 GLY A 12 -5.329 11.028 -5.079 1.00 0.89 H new ATOM 0 HA3 GLY A 12 -5.081 9.317 -4.793 1.00 0.89 H new ATOM 178 N MET A 13 -5.112 10.122 -1.909 1.00 0.71 N ATOM 179 CA MET A 13 -5.801 10.238 -0.632 1.00 0.74 C ATOM 180 C MET A 13 -6.148 11.704 -0.360 1.00 1.01 C ATOM 181 O MET A 13 -5.245 12.511 -0.158 1.00 1.61 O ATOM 182 CB MET A 13 -4.962 9.674 0.525 1.00 0.88 C ATOM 183 CG MET A 13 -4.556 8.204 0.350 1.00 0.88 C ATOM 184 SD MET A 13 -3.022 7.893 -0.558 1.00 2.09 S ATOM 185 CE MET A 13 -1.829 8.653 0.567 1.00 1.24 C ATOM 0 H MET A 13 -4.143 9.811 -1.843 1.00 0.71 H new ATOM 0 HA MET A 13 -6.716 9.648 -0.694 1.00 0.74 H new ATOM 0 HB2 MET A 13 -4.061 10.278 0.633 1.00 0.88 H new ATOM 0 HB3 MET A 13 -5.527 9.775 1.452 1.00 0.88 H new ATOM 0 HG2 MET A 13 -4.464 7.755 1.339 1.00 0.88 H new ATOM 0 HG3 MET A 13 -5.366 7.685 -0.161 1.00 0.88 H new ATOM 0 HE1 MET A 13 -0.829 8.285 0.339 1.00 1.24 H new ATOM 0 HE2 MET A 13 -1.854 9.736 0.446 1.00 1.24 H new ATOM 0 HE3 MET A 13 -2.084 8.397 1.595 1.00 1.24 H new ATOM 195 N THR A 14 -7.438 12.050 -0.338 1.00 1.02 N ATOM 196 CA THR A 14 -7.852 13.407 0.001 1.00 1.29 C ATOM 197 C THR A 14 -7.534 13.688 1.475 1.00 1.66 C ATOM 198 O THR A 14 -6.807 14.632 1.768 1.00 2.90 O ATOM 199 CB THR A 14 -9.309 13.681 -0.423 1.00 1.75 C ATOM 200 OG1 THR A 14 -9.633 15.039 -0.212 1.00 2.37 O ATOM 201 CG2 THR A 14 -10.371 12.835 0.285 1.00 2.44 C ATOM 0 H THR A 14 -8.206 11.412 -0.550 1.00 1.02 H new ATOM 0 HA THR A 14 -7.275 14.131 -0.575 1.00 1.29 H new ATOM 0 HB THR A 14 -9.335 13.406 -1.477 1.00 1.75 H new ATOM 0 HG1 THR A 14 -10.560 15.201 -0.487 1.00 2.37 H new ATOM 0 HG21 THR A 14 -11.359 13.107 -0.086 1.00 2.44 H new ATOM 0 HG22 THR A 14 -10.187 11.779 0.087 1.00 2.44 H new ATOM 0 HG23 THR A 14 -10.324 13.016 1.359 1.00 2.44 H new ATOM 209 N CYS A 15 -8.026 12.839 2.389 1.00 1.37 N ATOM 210 CA CYS A 15 -7.657 12.835 3.804 1.00 2.34 C ATOM 211 C CYS A 15 -8.368 11.687 4.525 1.00 1.46 C ATOM 212 O CYS A 15 -7.841 10.579 4.604 1.00 2.02 O ATOM 213 CB CYS A 15 -7.946 14.181 4.492 1.00 3.98 C ATOM 214 SG CYS A 15 -7.490 14.068 6.243 1.00 5.46 S ATOM 0 H CYS A 15 -8.709 12.119 2.154 1.00 1.37 H new ATOM 0 HA CYS A 15 -6.579 12.683 3.863 1.00 2.34 H new ATOM 0 HB2 CYS A 15 -7.382 14.978 4.008 1.00 3.98 H new ATOM 0 HB3 CYS A 15 -9.002 14.433 4.395 1.00 3.98 H new ATOM 0 HG CYS A 15 -7.730 15.204 6.828 1.00 5.46 H new ATOM 220 N ALA A 16 -9.569 11.944 5.056 1.00 1.09 N ATOM 221 CA ALA A 16 -10.308 10.964 5.836 1.00 1.43 C ATOM 222 C ALA A 16 -10.845 9.868 4.922 1.00 1.65 C ATOM 223 O ALA A 16 -10.956 10.062 3.712 1.00 3.23 O ATOM 224 CB ALA A 16 -11.453 11.640 6.593 1.00 2.12 C ATOM 0 H ALA A 16 -10.049 12.838 4.953 1.00 1.09 H new ATOM 0 HA ALA A 16 -9.635 10.513 6.565 1.00 1.43 H new ATOM 0 HB1 ALA A 16 -11.997 10.894 7.172 1.00 2.12 H new ATOM 0 HB2 ALA A 16 -11.048 12.397 7.265 1.00 2.12 H new ATOM 0 HB3 ALA A 16 -12.131 12.112 5.882 1.00 2.12 H new ATOM 230 N SER A 17 -11.178 8.717 5.511 1.00 0.58 N ATOM 231 CA SER A 17 -11.590 7.502 4.819 1.00 0.47 C ATOM 232 C SER A 17 -10.426 6.899 4.031 1.00 0.45 C ATOM 233 O SER A 17 -10.026 5.777 4.316 1.00 0.58 O ATOM 234 CB SER A 17 -12.835 7.725 3.951 1.00 0.67 C ATOM 235 OG SER A 17 -13.835 8.379 4.706 1.00 1.56 O ATOM 0 H SER A 17 -11.166 8.606 6.525 1.00 0.58 H new ATOM 0 HA SER A 17 -11.880 6.773 5.575 1.00 0.47 H new ATOM 0 HB2 SER A 17 -12.577 8.323 3.077 1.00 0.67 H new ATOM 0 HB3 SER A 17 -13.210 6.769 3.585 1.00 0.67 H new ATOM 0 HG SER A 17 -14.627 8.521 4.147 1.00 1.56 H new ATOM 241 N CYS A 18 -9.872 7.639 3.066 1.00 0.47 N ATOM 242 CA CYS A 18 -8.787 7.232 2.174 1.00 0.56 C ATOM 243 C CYS A 18 -7.711 6.416 2.878 1.00 0.54 C ATOM 244 O CYS A 18 -7.253 5.421 2.324 1.00 0.68 O ATOM 245 CB CYS A 18 -8.175 8.465 1.514 1.00 0.71 C ATOM 246 SG CYS A 18 -9.338 9.161 0.319 1.00 0.79 S ATOM 0 H CYS A 18 -10.187 8.590 2.877 1.00 0.47 H new ATOM 0 HA CYS A 18 -9.220 6.580 1.416 1.00 0.56 H new ATOM 0 HB2 CYS A 18 -7.928 9.209 2.271 1.00 0.71 H new ATOM 0 HB3 CYS A 18 -7.244 8.197 1.015 1.00 0.71 H new ATOM 0 HG CYS A 18 -8.890 8.967 -0.886 1.00 0.79 H new ATOM 252 N VAL A 19 -7.326 6.813 4.094 1.00 0.47 N ATOM 253 CA VAL A 19 -6.414 6.033 4.909 1.00 0.43 C ATOM 254 C VAL A 19 -6.899 4.578 5.010 1.00 0.43 C ATOM 255 O VAL A 19 -6.306 3.675 4.419 1.00 0.54 O ATOM 256 CB VAL A 19 -6.210 6.718 6.276 1.00 0.47 C ATOM 257 CG1 VAL A 19 -5.376 5.861 7.237 1.00 0.59 C ATOM 258 CG2 VAL A 19 -5.504 8.070 6.095 1.00 0.57 C ATOM 0 H VAL A 19 -7.640 7.679 4.532 1.00 0.47 H new ATOM 0 HA VAL A 19 -5.432 5.991 4.437 1.00 0.43 H new ATOM 0 HB VAL A 19 -7.202 6.857 6.706 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -5.260 6.386 8.185 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -5.881 4.910 7.408 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -4.394 5.677 6.802 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -5.367 8.542 7.068 1.00 0.57 H new ATOM 0 HG22 VAL A 19 -4.532 7.913 5.627 1.00 0.57 H new ATOM 0 HG23 VAL A 19 -6.112 8.716 5.461 1.00 0.57 H new ATOM 268 N HIS A 20 -8.006 4.335 5.716 1.00 0.43 N ATOM 269 CA HIS A 20 -8.497 2.984 5.953 1.00 0.54 C ATOM 270 C HIS A 20 -8.929 2.320 4.637 1.00 0.57 C ATOM 271 O HIS A 20 -8.805 1.107 4.485 1.00 0.74 O ATOM 272 CB HIS A 20 -9.576 2.997 7.050 1.00 0.63 C ATOM 273 CG HIS A 20 -10.934 2.539 6.599 1.00 0.73 C ATOM 274 ND1 HIS A 20 -11.442 1.273 6.751 1.00 1.54 N ATOM 275 CD2 HIS A 20 -11.757 3.212 5.746 1.00 0.51 C ATOM 276 CE1 HIS A 20 -12.563 1.200 6.016 1.00 1.65 C ATOM 277 NE2 HIS A 20 -12.794 2.356 5.375 1.00 0.96 N ATOM 0 H HIS A 20 -8.580 5.066 6.135 1.00 0.43 H new ATOM 0 HA HIS A 20 -7.692 2.356 6.335 1.00 0.54 H new ATOM 0 HB2 HIS A 20 -9.247 2.361 7.872 1.00 0.63 H new ATOM 0 HB3 HIS A 20 -9.661 4.009 7.445 1.00 0.63 H new ATOM 0 HD2 HIS A 20 -11.628 4.232 5.415 1.00 0.51 H new ATOM 0 HE1 HIS A 20 -13.195 0.327 5.949 1.00 1.65 H new ATOM 0 HE2 HIS A 20 -13.569 2.566 4.746 1.00 0.96 H new ATOM 285 N LYS A 21 -9.405 3.119 3.674 1.00 0.50 N ATOM 286 CA LYS A 21 -9.746 2.683 2.324 1.00 0.67 C ATOM 287 C LYS A 21 -8.615 1.827 1.765 1.00 0.71 C ATOM 288 O LYS A 21 -8.866 0.824 1.108 1.00 1.06 O ATOM 289 CB LYS A 21 -9.966 3.908 1.420 1.00 0.77 C ATOM 290 CG LYS A 21 -11.038 3.766 0.329 1.00 1.13 C ATOM 291 CD LYS A 21 -10.669 2.737 -0.750 1.00 1.38 C ATOM 292 CE LYS A 21 -11.520 2.908 -2.023 1.00 1.88 C ATOM 293 NZ LYS A 21 -11.030 3.979 -2.924 1.00 3.59 N ATOM 0 H LYS A 21 -9.566 4.115 3.822 1.00 0.50 H new ATOM 0 HA LYS A 21 -10.663 2.095 2.356 1.00 0.67 H new ATOM 0 HB2 LYS A 21 -10.231 4.756 2.052 1.00 0.77 H new ATOM 0 HB3 LYS A 21 -9.019 4.153 0.939 1.00 0.77 H new ATOM 0 HG2 LYS A 21 -11.982 3.476 0.791 1.00 1.13 H new ATOM 0 HG3 LYS A 21 -11.199 4.736 -0.142 1.00 1.13 H new ATOM 0 HD2 LYS A 21 -9.614 2.839 -1.003 1.00 1.38 H new ATOM 0 HD3 LYS A 21 -10.806 1.731 -0.354 1.00 1.38 H new ATOM 0 HE2 LYS A 21 -11.536 1.965 -2.569 1.00 1.88 H new ATOM 0 HE3 LYS A 21 -12.548 3.128 -1.736 1.00 1.88 H new ATOM 0 HZ1 LYS A 21 -11.827 4.368 -3.467 1.00 3.59 H new ATOM 0 HZ2 LYS A 21 -10.594 4.736 -2.359 1.00 3.59 H new ATOM 0 HZ3 LYS A 21 -10.324 3.586 -3.579 1.00 3.59 H new ATOM 307 N ILE A 22 -7.373 2.239 2.024 1.00 0.43 N ATOM 308 CA ILE A 22 -6.184 1.517 1.620 1.00 0.37 C ATOM 309 C ILE A 22 -5.897 0.475 2.696 1.00 0.39 C ATOM 310 O ILE A 22 -5.884 -0.723 2.422 1.00 0.44 O ATOM 311 CB ILE A 22 -5.030 2.522 1.447 1.00 0.38 C ATOM 312 CG1 ILE A 22 -5.344 3.468 0.285 1.00 0.34 C ATOM 313 CG2 ILE A 22 -3.708 1.809 1.193 1.00 0.54 C ATOM 314 CD1 ILE A 22 -4.380 4.641 0.123 1.00 0.51 C ATOM 0 H ILE A 22 -7.171 3.101 2.530 1.00 0.43 H new ATOM 0 HA ILE A 22 -6.312 1.005 0.666 1.00 0.37 H new ATOM 0 HB ILE A 22 -4.932 3.093 2.370 1.00 0.38 H new ATOM 0 HG12 ILE A 22 -5.349 2.892 -0.640 1.00 0.34 H new ATOM 0 HG13 ILE A 22 -6.351 3.862 0.420 1.00 0.34 H new ATOM 0 HG21 ILE A 22 -2.914 2.546 1.075 1.00 0.54 H new ATOM 0 HG22 ILE A 22 -3.477 1.159 2.037 1.00 0.54 H new ATOM 0 HG23 ILE A 22 -3.786 1.211 0.285 1.00 0.54 H new ATOM 0 HD11 ILE A 22 -4.688 5.251 -0.726 1.00 0.51 H new ATOM 0 HD12 ILE A 22 -4.390 5.248 1.028 1.00 0.51 H new ATOM 0 HD13 ILE A 22 -3.372 4.263 -0.049 1.00 0.51 H new ATOM 326 N GLU A 23 -5.669 0.952 3.920 1.00 0.44 N ATOM 327 CA GLU A 23 -5.177 0.175 5.044 1.00 0.54 C ATOM 328 C GLU A 23 -6.006 -1.094 5.255 1.00 0.57 C ATOM 329 O GLU A 23 -5.504 -2.211 5.115 1.00 0.61 O ATOM 330 CB GLU A 23 -5.158 1.086 6.287 1.00 0.71 C ATOM 331 CG GLU A 23 -3.835 0.984 7.045 1.00 1.00 C ATOM 332 CD GLU A 23 -3.666 2.172 7.975 1.00 2.26 C ATOM 333 OE1 GLU A 23 -4.324 2.168 9.035 1.00 2.94 O ATOM 334 OE2 GLU A 23 -2.894 3.072 7.576 1.00 3.47 O ATOM 0 H GLU A 23 -5.830 1.930 4.159 1.00 0.44 H new ATOM 0 HA GLU A 23 -4.163 -0.172 4.845 1.00 0.54 H new ATOM 0 HB2 GLU A 23 -5.324 2.119 5.983 1.00 0.71 H new ATOM 0 HB3 GLU A 23 -5.979 0.813 6.950 1.00 0.71 H new ATOM 0 HG2 GLU A 23 -3.808 0.058 7.619 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -3.006 0.946 6.339 1.00 1.00 H new ATOM 341 N SER A 24 -7.293 -0.903 5.553 1.00 0.64 N ATOM 342 CA SER A 24 -8.222 -1.979 5.850 1.00 0.78 C ATOM 343 C SER A 24 -8.361 -2.902 4.642 1.00 0.75 C ATOM 344 O SER A 24 -8.377 -4.124 4.775 1.00 0.87 O ATOM 345 CB SER A 24 -9.579 -1.398 6.250 1.00 0.92 C ATOM 346 OG SER A 24 -9.414 -0.481 7.317 1.00 2.76 O ATOM 0 H SER A 24 -7.720 0.023 5.594 1.00 0.64 H new ATOM 0 HA SER A 24 -7.837 -2.566 6.684 1.00 0.78 H new ATOM 0 HB2 SER A 24 -10.036 -0.898 5.396 1.00 0.92 H new ATOM 0 HB3 SER A 24 -10.254 -2.200 6.549 1.00 0.92 H new ATOM 0 HG SER A 24 -10.248 0.015 7.454 1.00 2.76 H new ATOM 352 N SER A 25 -8.467 -2.301 3.452 1.00 0.69 N ATOM 353 CA SER A 25 -8.599 -3.055 2.218 1.00 0.74 C ATOM 354 C SER A 25 -7.368 -3.924 1.978 1.00 0.67 C ATOM 355 O SER A 25 -7.503 -5.021 1.444 1.00 0.86 O ATOM 356 CB SER A 25 -8.858 -2.119 1.038 1.00 0.77 C ATOM 357 OG SER A 25 -9.189 -2.868 -0.122 1.00 0.90 O ATOM 0 H SER A 25 -8.463 -1.289 3.326 1.00 0.69 H new ATOM 0 HA SER A 25 -9.459 -3.719 2.312 1.00 0.74 H new ATOM 0 HB2 SER A 25 -9.670 -1.433 1.280 1.00 0.77 H new ATOM 0 HB3 SER A 25 -7.974 -1.511 0.847 1.00 0.77 H new ATOM 0 HG SER A 25 -9.354 -2.257 -0.870 1.00 0.90 H new ATOM 363 N LEU A 26 -6.173 -3.464 2.348 1.00 0.51 N ATOM 364 CA LEU A 26 -4.969 -4.263 2.220 1.00 0.49 C ATOM 365 C LEU A 26 -4.965 -5.406 3.218 1.00 0.48 C ATOM 366 O LEU A 26 -4.661 -6.529 2.818 1.00 0.53 O ATOM 367 CB LEU A 26 -3.707 -3.420 2.347 1.00 0.52 C ATOM 368 CG LEU A 26 -3.344 -2.831 0.986 1.00 0.71 C ATOM 369 CD1 LEU A 26 -2.332 -1.719 1.218 1.00 2.03 C ATOM 370 CD2 LEU A 26 -2.729 -3.858 0.023 1.00 1.94 C ATOM 0 H LEU A 26 -6.020 -2.535 2.741 1.00 0.51 H new ATOM 0 HA LEU A 26 -4.971 -4.688 1.216 1.00 0.49 H new ATOM 0 HB2 LEU A 26 -3.864 -2.620 3.070 1.00 0.52 H new ATOM 0 HB3 LEU A 26 -2.885 -4.031 2.721 1.00 0.52 H new ATOM 0 HG LEU A 26 -4.263 -2.472 0.523 1.00 0.71 H new ATOM 0 HD11 LEU A 26 -2.052 -1.277 0.262 1.00 2.03 H new ATOM 0 HD12 LEU A 26 -2.773 -0.953 1.857 1.00 2.03 H new ATOM 0 HD13 LEU A 26 -1.445 -2.129 1.702 1.00 2.03 H new ATOM 0 HD21 LEU A 26 -2.495 -3.373 -0.925 1.00 1.94 H new ATOM 0 HD22 LEU A 26 -1.816 -4.264 0.458 1.00 1.94 H new ATOM 0 HD23 LEU A 26 -3.439 -4.667 -0.149 1.00 1.94 H new ATOM 382 N THR A 27 -5.282 -5.137 4.492 1.00 0.49 N ATOM 383 CA THR A 27 -5.283 -6.154 5.539 1.00 0.56 C ATOM 384 C THR A 27 -6.344 -7.229 5.254 1.00 0.73 C ATOM 385 O THR A 27 -7.411 -7.217 5.861 1.00 1.78 O ATOM 386 CB THR A 27 -5.524 -5.505 6.911 1.00 0.66 C ATOM 387 OG1 THR A 27 -6.629 -4.631 6.840 1.00 0.77 O ATOM 388 CG2 THR A 27 -4.318 -4.698 7.393 1.00 0.72 C ATOM 0 H THR A 27 -5.544 -4.207 4.820 1.00 0.49 H new ATOM 0 HA THR A 27 -4.307 -6.638 5.550 1.00 0.56 H new ATOM 0 HB THR A 27 -5.706 -6.317 7.615 1.00 0.66 H new ATOM 0 HG1 THR A 27 -7.114 -4.784 6.002 1.00 0.77 H new ATOM 0 HG21 THR A 27 -4.539 -4.260 8.366 1.00 0.72 H new ATOM 0 HG22 THR A 27 -3.452 -5.354 7.478 1.00 0.72 H new ATOM 0 HG23 THR A 27 -4.102 -3.904 6.678 1.00 0.72 H new ATOM 396 N LYS A 28 -6.023 -8.132 4.325 1.00 1.01 N ATOM 397 CA LYS A 28 -6.826 -9.213 3.759 1.00 1.05 C ATOM 398 C LYS A 28 -6.127 -9.860 2.555 1.00 0.86 C ATOM 399 O LYS A 28 -6.404 -11.022 2.269 1.00 1.04 O ATOM 400 CB LYS A 28 -8.265 -8.799 3.403 1.00 1.25 C ATOM 401 CG LYS A 28 -8.398 -7.798 2.245 1.00 1.08 C ATOM 402 CD LYS A 28 -8.710 -8.461 0.887 1.00 1.67 C ATOM 403 CE LYS A 28 -9.510 -7.553 -0.068 1.00 1.77 C ATOM 404 NZ LYS A 28 -8.789 -6.330 -0.476 1.00 3.42 N ATOM 0 H LYS A 28 -5.093 -8.120 3.907 1.00 1.01 H new ATOM 0 HA LYS A 28 -6.915 -9.955 4.552 1.00 1.05 H new ATOM 0 HB2 LYS A 28 -8.831 -9.696 3.152 1.00 1.25 H new ATOM 0 HB3 LYS A 28 -8.730 -8.367 4.289 1.00 1.25 H new ATOM 0 HG2 LYS A 28 -9.188 -7.085 2.481 1.00 1.08 H new ATOM 0 HG3 LYS A 28 -7.471 -7.231 2.158 1.00 1.08 H new ATOM 0 HD2 LYS A 28 -7.774 -8.746 0.407 1.00 1.67 H new ATOM 0 HD3 LYS A 28 -9.272 -9.379 1.060 1.00 1.67 H new ATOM 0 HE2 LYS A 28 -9.773 -8.122 -0.960 1.00 1.77 H new ATOM 0 HE3 LYS A 28 -10.444 -7.268 0.415 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 -9.456 -5.663 -0.914 1.00 3.42 H new ATOM 0 HZ2 LYS A 28 -8.356 -5.888 0.359 1.00 3.42 H new ATOM 0 HZ3 LYS A 28 -8.047 -6.577 -1.161 1.00 3.42 H new ATOM 418 N HIS A 29 -5.223 -9.159 1.847 1.00 0.71 N ATOM 419 CA HIS A 29 -4.396 -9.764 0.796 1.00 0.86 C ATOM 420 C HIS A 29 -3.328 -10.712 1.385 1.00 1.07 C ATOM 421 O HIS A 29 -2.135 -10.531 1.156 1.00 2.19 O ATOM 422 CB HIS A 29 -3.769 -8.665 -0.083 1.00 0.96 C ATOM 423 CG HIS A 29 -4.735 -7.971 -0.995 1.00 0.85 C ATOM 424 ND1 HIS A 29 -4.721 -8.006 -2.369 1.00 1.59 N ATOM 425 CD2 HIS A 29 -5.729 -7.120 -0.611 1.00 0.95 C ATOM 426 CE1 HIS A 29 -5.741 -7.247 -2.795 1.00 2.13 C ATOM 427 NE2 HIS A 29 -6.406 -6.697 -1.759 1.00 1.85 N ATOM 0 H HIS A 29 -5.048 -8.164 1.988 1.00 0.71 H new ATOM 0 HA HIS A 29 -5.038 -10.378 0.164 1.00 0.86 H new ATOM 0 HB2 HIS A 29 -3.302 -7.922 0.564 1.00 0.96 H new ATOM 0 HB3 HIS A 29 -2.975 -9.108 -0.685 1.00 0.96 H new ATOM 0 HD1 HIS A 29 -4.059 -8.514 -2.955 1.00 1.59 H new ATOM 0 HD2 HIS A 29 -5.954 -6.824 0.403 1.00 0.95 H new ATOM 0 HE1 HIS A 29 -5.997 -7.096 -3.833 1.00 2.13 H new ATOM 435 N ARG A 30 -3.772 -11.744 2.111 1.00 1.10 N ATOM 436 CA ARG A 30 -3.025 -12.849 2.708 1.00 1.18 C ATOM 437 C ARG A 30 -1.685 -12.475 3.357 1.00 1.67 C ATOM 438 O ARG A 30 -1.557 -12.521 4.577 1.00 3.47 O ATOM 439 CB ARG A 30 -2.892 -13.995 1.692 1.00 1.57 C ATOM 440 CG ARG A 30 -2.369 -15.274 2.363 1.00 2.60 C ATOM 441 CD ARG A 30 -2.389 -16.450 1.381 1.00 3.18 C ATOM 442 NE ARG A 30 -1.916 -17.683 2.035 1.00 4.00 N ATOM 443 CZ ARG A 30 -1.888 -18.896 1.461 1.00 4.71 C ATOM 444 NH1 ARG A 30 -2.291 -19.042 0.194 1.00 4.91 N ATOM 445 NH2 ARG A 30 -1.459 -19.956 2.155 1.00 5.77 N ATOM 0 H ARG A 30 -4.768 -11.832 2.314 1.00 1.10 H new ATOM 0 HA ARG A 30 -3.616 -13.184 3.560 1.00 1.18 H new ATOM 0 HB2 ARG A 30 -3.861 -14.192 1.233 1.00 1.57 H new ATOM 0 HB3 ARG A 30 -2.215 -13.698 0.891 1.00 1.57 H new ATOM 0 HG2 ARG A 30 -1.353 -15.112 2.723 1.00 2.60 H new ATOM 0 HG3 ARG A 30 -2.982 -15.510 3.233 1.00 2.60 H new ATOM 0 HD2 ARG A 30 -3.401 -16.598 1.004 1.00 3.18 H new ATOM 0 HD3 ARG A 30 -1.758 -16.223 0.522 1.00 3.18 H new ATOM 0 HE ARG A 30 -1.585 -17.609 2.997 1.00 4.00 H new ATOM 0 HH11 ARG A 30 -2.619 -18.233 -0.333 1.00 4.91 H new ATOM 0 HH12 ARG A 30 -2.271 -19.963 -0.245 1.00 4.91 H new ATOM 0 HH21 ARG A 30 -1.153 -19.843 3.121 1.00 5.77 H new ATOM 0 HH22 ARG A 30 -1.438 -20.877 1.718 1.00 5.77 H new ATOM 459 N GLY A 31 -0.670 -12.180 2.544 1.00 0.74 N ATOM 460 CA GLY A 31 0.678 -11.899 3.001 1.00 1.07 C ATOM 461 C GLY A 31 0.732 -10.621 3.834 1.00 1.19 C ATOM 462 O GLY A 31 1.451 -10.573 4.830 1.00 1.94 O ATOM 0 H GLY A 31 -0.771 -12.130 1.530 1.00 0.74 H new ATOM 0 HA2 GLY A 31 1.044 -12.737 3.594 1.00 1.07 H new ATOM 0 HA3 GLY A 31 1.342 -11.803 2.142 1.00 1.07 H new ATOM 466 N ILE A 32 0.012 -9.575 3.413 1.00 0.87 N ATOM 467 CA ILE A 32 0.068 -8.278 4.077 1.00 0.85 C ATOM 468 C ILE A 32 -0.524 -8.361 5.489 1.00 1.36 C ATOM 469 O ILE A 32 -1.738 -8.296 5.676 1.00 2.23 O ATOM 470 CB ILE A 32 -0.492 -7.146 3.191 1.00 1.06 C ATOM 471 CG1 ILE A 32 -0.627 -5.797 3.906 1.00 1.05 C ATOM 472 CG2 ILE A 32 -1.822 -7.496 2.547 1.00 2.13 C ATOM 473 CD1 ILE A 32 0.628 -5.443 4.680 1.00 1.87 C ATOM 0 H ILE A 32 -0.618 -9.607 2.611 1.00 0.87 H new ATOM 0 HA ILE A 32 1.112 -8.000 4.221 1.00 0.85 H new ATOM 0 HB ILE A 32 0.265 -7.040 2.414 1.00 1.06 H new ATOM 0 HG12 ILE A 32 -0.835 -5.017 3.174 1.00 1.05 H new ATOM 0 HG13 ILE A 32 -1.477 -5.830 4.587 1.00 1.05 H new ATOM 0 HG21 ILE A 32 -2.162 -6.659 1.937 1.00 2.13 H new ATOM 0 HG22 ILE A 32 -1.701 -8.378 1.918 1.00 2.13 H new ATOM 0 HG23 ILE A 32 -2.559 -7.703 3.323 1.00 2.13 H new ATOM 0 HD11 ILE A 32 0.492 -4.480 5.172 1.00 1.87 H new ATOM 0 HD12 ILE A 32 0.821 -6.210 5.430 1.00 1.87 H new ATOM 0 HD13 ILE A 32 1.474 -5.384 3.995 1.00 1.87 H new ATOM 485 N LEU A 33 0.358 -8.506 6.482 1.00 1.14 N ATOM 486 CA LEU A 33 0.004 -8.712 7.878 1.00 1.54 C ATOM 487 C LEU A 33 -0.220 -7.384 8.608 1.00 1.31 C ATOM 488 O LEU A 33 -1.057 -7.317 9.506 1.00 1.48 O ATOM 489 CB LEU A 33 1.053 -9.615 8.551 1.00 2.02 C ATOM 490 CG LEU A 33 2.437 -8.965 8.735 1.00 1.93 C ATOM 491 CD1 LEU A 33 2.658 -8.553 10.195 1.00 3.01 C ATOM 492 CD2 LEU A 33 3.547 -9.929 8.303 1.00 2.04 C ATOM 0 H LEU A 33 1.366 -8.482 6.326 1.00 1.14 H new ATOM 0 HA LEU A 33 -0.953 -9.230 7.934 1.00 1.54 H new ATOM 0 HB2 LEU A 33 0.677 -9.920 9.528 1.00 2.02 H new ATOM 0 HB3 LEU A 33 1.168 -10.521 7.956 1.00 2.02 H new ATOM 0 HG LEU A 33 2.471 -8.074 8.108 1.00 1.93 H new ATOM 0 HD11 LEU A 33 3.642 -8.096 10.299 1.00 3.01 H new ATOM 0 HD12 LEU A 33 1.892 -7.836 10.491 1.00 3.01 H new ATOM 0 HD13 LEU A 33 2.597 -9.433 10.835 1.00 3.01 H new ATOM 0 HD21 LEU A 33 4.517 -9.452 8.440 1.00 2.04 H new ATOM 0 HD22 LEU A 33 3.499 -10.834 8.908 1.00 2.04 H new ATOM 0 HD23 LEU A 33 3.416 -10.188 7.252 1.00 2.04 H new ATOM 504 N TYR A 34 0.508 -6.325 8.232 1.00 1.02 N ATOM 505 CA TYR A 34 0.333 -4.993 8.797 1.00 0.89 C ATOM 506 C TYR A 34 0.633 -3.914 7.759 1.00 0.79 C ATOM 507 O TYR A 34 1.622 -4.013 7.033 1.00 0.88 O ATOM 508 CB TYR A 34 1.247 -4.809 10.013 1.00 0.96 C ATOM 509 CG TYR A 34 0.971 -3.526 10.776 1.00 1.01 C ATOM 510 CD1 TYR A 34 -0.312 -3.289 11.306 1.00 2.23 C ATOM 511 CD2 TYR A 34 1.943 -2.510 10.827 1.00 1.44 C ATOM 512 CE1 TYR A 34 -0.647 -2.019 11.802 1.00 2.27 C ATOM 513 CE2 TYR A 34 1.622 -1.256 11.377 1.00 1.45 C ATOM 514 CZ TYR A 34 0.313 -0.994 11.813 1.00 1.11 C ATOM 515 OH TYR A 34 -0.013 0.255 12.248 1.00 1.24 O ATOM 0 H TYR A 34 1.238 -6.375 7.522 1.00 1.02 H new ATOM 0 HA TYR A 34 -0.707 -4.894 9.109 1.00 0.89 H new ATOM 0 HB2 TYR A 34 1.123 -5.658 10.685 1.00 0.96 H new ATOM 0 HB3 TYR A 34 2.286 -4.812 9.683 1.00 0.96 H new ATOM 0 HD1 TYR A 34 -1.040 -4.086 11.331 1.00 2.23 H new ATOM 0 HD2 TYR A 34 2.936 -2.693 10.444 1.00 1.44 H new ATOM 0 HE1 TYR A 34 -1.643 -1.830 12.175 1.00 2.27 H new ATOM 0 HE2 TYR A 34 2.383 -0.494 11.464 1.00 1.45 H new ATOM 0 HH TYR A 34 0.773 0.838 12.188 1.00 1.24 H new ATOM 525 N CYS A 35 -0.203 -2.876 7.700 1.00 0.81 N ATOM 526 CA CYS A 35 -0.026 -1.745 6.800 1.00 0.75 C ATOM 527 C CYS A 35 0.157 -0.491 7.642 1.00 0.81 C ATOM 528 O CYS A 35 -0.186 -0.476 8.825 1.00 1.11 O ATOM 529 CB CYS A 35 -1.254 -1.520 5.900 1.00 0.85 C ATOM 530 SG CYS A 35 -1.963 -3.047 5.260 1.00 1.99 S ATOM 0 H CYS A 35 -1.034 -2.800 8.287 1.00 0.81 H new ATOM 0 HA CYS A 35 0.836 -1.954 6.167 1.00 0.75 H new ATOM 0 HB2 CYS A 35 -2.016 -0.984 6.466 1.00 0.85 H new ATOM 0 HB3 CYS A 35 -0.970 -0.882 5.063 1.00 0.85 H new ATOM 0 HG CYS A 35 -1.946 -3.956 6.189 1.00 1.99 H new ATOM 536 N SER A 36 0.606 0.595 7.019 1.00 0.61 N ATOM 537 CA SER A 36 0.258 1.932 7.478 1.00 0.59 C ATOM 538 C SER A 36 0.272 2.849 6.263 1.00 0.44 C ATOM 539 O SER A 36 1.339 2.979 5.665 1.00 0.51 O ATOM 540 CB SER A 36 1.246 2.450 8.539 1.00 0.93 C ATOM 541 OG SER A 36 1.719 1.416 9.382 1.00 1.56 O ATOM 0 H SER A 36 1.210 0.574 6.197 1.00 0.61 H new ATOM 0 HA SER A 36 -0.726 1.909 7.947 1.00 0.59 H new ATOM 0 HB2 SER A 36 2.091 2.927 8.043 1.00 0.93 H new ATOM 0 HB3 SER A 36 0.759 3.215 9.144 1.00 0.93 H new ATOM 0 HG SER A 36 0.994 0.780 9.558 1.00 1.56 H new ATOM 547 N VAL A 37 -0.845 3.470 5.871 1.00 0.43 N ATOM 548 CA VAL A 37 -0.789 4.553 4.909 1.00 0.46 C ATOM 549 C VAL A 37 -0.813 5.901 5.639 1.00 0.55 C ATOM 550 O VAL A 37 -1.710 6.165 6.435 1.00 0.82 O ATOM 551 CB VAL A 37 -1.853 4.370 3.823 1.00 0.62 C ATOM 552 CG1 VAL A 37 -3.251 4.753 4.295 1.00 2.00 C ATOM 553 CG2 VAL A 37 -1.482 5.198 2.594 1.00 2.37 C ATOM 0 H VAL A 37 -1.781 3.239 6.204 1.00 0.43 H new ATOM 0 HA VAL A 37 0.156 4.537 4.366 1.00 0.46 H new ATOM 0 HB VAL A 37 -1.877 3.309 3.574 1.00 0.62 H new ATOM 0 HG11 VAL A 37 -3.963 4.603 3.483 1.00 2.00 H new ATOM 0 HG12 VAL A 37 -3.532 4.130 5.144 1.00 2.00 H new ATOM 0 HG13 VAL A 37 -3.259 5.801 4.595 1.00 2.00 H new ATOM 0 HG21 VAL A 37 -2.241 5.065 1.823 1.00 2.37 H new ATOM 0 HG22 VAL A 37 -1.424 6.251 2.869 1.00 2.37 H new ATOM 0 HG23 VAL A 37 -0.516 4.869 2.212 1.00 2.37 H new ATOM 563 N ALA A 38 0.178 6.758 5.379 1.00 0.80 N ATOM 564 CA ALA A 38 0.195 8.126 5.868 1.00 0.98 C ATOM 565 C ALA A 38 0.000 9.084 4.702 1.00 0.89 C ATOM 566 O ALA A 38 0.690 9.003 3.684 1.00 0.83 O ATOM 567 CB ALA A 38 1.487 8.453 6.600 1.00 1.16 C ATOM 0 H ALA A 38 0.994 6.513 4.818 1.00 0.80 H new ATOM 0 HA ALA A 38 -0.621 8.237 6.582 1.00 0.98 H new ATOM 0 HB1 ALA A 38 1.457 9.485 6.948 1.00 1.16 H new ATOM 0 HB2 ALA A 38 1.600 7.785 7.454 1.00 1.16 H new ATOM 0 HB3 ALA A 38 2.332 8.323 5.923 1.00 1.16 H new ATOM 573 N LEU A 39 -0.950 10.000 4.883 1.00 0.93 N ATOM 574 CA LEU A 39 -1.399 10.908 3.839 1.00 0.90 C ATOM 575 C LEU A 39 -0.330 11.955 3.526 1.00 1.02 C ATOM 576 O LEU A 39 0.022 12.137 2.365 1.00 1.13 O ATOM 577 CB LEU A 39 -2.788 11.479 4.169 1.00 1.03 C ATOM 578 CG LEU A 39 -2.868 12.334 5.449 1.00 1.27 C ATOM 579 CD1 LEU A 39 -2.866 13.830 5.110 1.00 1.77 C ATOM 580 CD2 LEU A 39 -4.151 12.002 6.220 1.00 1.61 C ATOM 0 H LEU A 39 -1.433 10.131 5.772 1.00 0.93 H new ATOM 0 HA LEU A 39 -1.533 10.356 2.909 1.00 0.90 H new ATOM 0 HB2 LEU A 39 -3.122 12.085 3.327 1.00 1.03 H new ATOM 0 HB3 LEU A 39 -3.489 10.650 4.263 1.00 1.03 H new ATOM 0 HG LEU A 39 -1.995 12.107 6.060 1.00 1.27 H new ATOM 0 HD11 LEU A 39 -2.923 14.412 6.030 1.00 1.77 H new ATOM 0 HD12 LEU A 39 -1.948 14.081 4.578 1.00 1.77 H new ATOM 0 HD13 LEU A 39 -3.725 14.062 4.480 1.00 1.77 H new ATOM 0 HD21 LEU A 39 -4.200 12.610 7.123 1.00 1.61 H new ATOM 0 HD22 LEU A 39 -5.017 12.213 5.593 1.00 1.61 H new ATOM 0 HD23 LEU A 39 -4.149 10.947 6.493 1.00 1.61 H new ATOM 592 N ALA A 40 0.240 12.600 4.549 1.00 1.15 N ATOM 593 CA ALA A 40 1.264 13.625 4.366 1.00 1.41 C ATOM 594 C ALA A 40 2.463 13.056 3.603 1.00 1.39 C ATOM 595 O ALA A 40 2.881 13.590 2.578 1.00 1.71 O ATOM 596 CB ALA A 40 1.683 14.182 5.729 1.00 1.61 C ATOM 0 H ALA A 40 0.002 12.424 5.525 1.00 1.15 H new ATOM 0 HA ALA A 40 0.855 14.441 3.771 1.00 1.41 H new ATOM 0 HB1 ALA A 40 2.447 14.947 5.590 1.00 1.61 H new ATOM 0 HB2 ALA A 40 0.817 14.620 6.225 1.00 1.61 H new ATOM 0 HB3 ALA A 40 2.084 13.376 6.344 1.00 1.61 H new ATOM 602 N THR A 41 2.985 11.923 4.075 1.00 1.17 N ATOM 603 CA THR A 41 4.073 11.196 3.448 1.00 1.16 C ATOM 604 C THR A 41 3.662 10.652 2.073 1.00 1.11 C ATOM 605 O THR A 41 4.515 10.191 1.320 1.00 1.19 O ATOM 606 CB THR A 41 4.461 10.061 4.408 1.00 1.09 C ATOM 607 OG1 THR A 41 4.190 10.448 5.745 1.00 1.63 O ATOM 608 CG2 THR A 41 5.940 9.687 4.286 1.00 2.11 C ATOM 0 H THR A 41 2.648 11.479 4.929 1.00 1.17 H new ATOM 0 HA THR A 41 4.923 11.854 3.269 1.00 1.16 H new ATOM 0 HB THR A 41 3.867 9.188 4.137 1.00 1.09 H new ATOM 0 HG1 THR A 41 4.438 9.720 6.353 1.00 1.63 H new ATOM 0 HG21 THR A 41 6.170 8.881 4.983 1.00 2.11 H new ATOM 0 HG22 THR A 41 6.149 9.358 3.268 1.00 2.11 H new ATOM 0 HG23 THR A 41 6.555 10.556 4.520 1.00 2.11 H new ATOM 616 N ASN A 42 2.360 10.669 1.756 1.00 1.05 N ATOM 617 CA ASN A 42 1.778 10.054 0.574 1.00 1.06 C ATOM 618 C ASN A 42 2.177 8.580 0.513 1.00 0.91 C ATOM 619 O ASN A 42 2.293 8.034 -0.576 1.00 1.04 O ATOM 620 CB ASN A 42 2.201 10.797 -0.710 1.00 1.46 C ATOM 621 CG ASN A 42 1.588 12.182 -0.872 1.00 1.54 C ATOM 622 OD1 ASN A 42 0.820 12.417 -1.799 1.00 1.92 O ATOM 623 ND2 ASN A 42 1.948 13.138 -0.021 1.00 2.73 N ATOM 0 H ASN A 42 1.665 11.131 2.343 1.00 1.05 H new ATOM 0 HA ASN A 42 0.692 10.123 0.643 1.00 1.06 H new ATOM 0 HB2 ASN A 42 3.287 10.891 -0.719 1.00 1.46 H new ATOM 0 HB3 ASN A 42 1.927 10.190 -1.573 1.00 1.46 H new ATOM 0 HD21 ASN A 42 1.584 14.084 -0.134 1.00 2.73 H new ATOM 0 HD22 ASN A 42 2.588 12.925 0.744 1.00 2.73 H new ATOM 630 N LYS A 43 2.427 7.929 1.655 1.00 0.84 N ATOM 631 CA LYS A 43 3.194 6.688 1.689 1.00 0.88 C ATOM 632 C LYS A 43 2.372 5.561 2.289 1.00 0.87 C ATOM 633 O LYS A 43 1.866 5.717 3.395 1.00 1.13 O ATOM 634 CB LYS A 43 4.502 6.883 2.467 1.00 0.97 C ATOM 635 CG LYS A 43 5.358 5.609 2.450 1.00 1.35 C ATOM 636 CD LYS A 43 6.676 5.792 3.211 1.00 1.15 C ATOM 637 CE LYS A 43 7.723 6.585 2.414 1.00 1.28 C ATOM 638 NZ LYS A 43 9.045 6.510 3.062 1.00 1.44 N ATOM 0 H LYS A 43 2.106 8.247 2.569 1.00 0.84 H new ATOM 0 HA LYS A 43 3.444 6.414 0.664 1.00 0.88 H new ATOM 0 HB2 LYS A 43 5.066 7.708 2.032 1.00 0.97 H new ATOM 0 HB3 LYS A 43 4.277 7.158 3.497 1.00 0.97 H new ATOM 0 HG2 LYS A 43 4.795 4.788 2.893 1.00 1.35 H new ATOM 0 HG3 LYS A 43 5.571 5.329 1.418 1.00 1.35 H new ATOM 0 HD2 LYS A 43 6.478 6.306 4.152 1.00 1.15 H new ATOM 0 HD3 LYS A 43 7.083 4.813 3.462 1.00 1.15 H new ATOM 0 HE2 LYS A 43 7.788 6.192 1.399 1.00 1.28 H new ATOM 0 HE3 LYS A 43 7.412 7.626 2.333 1.00 1.28 H new ATOM 0 HZ1 LYS A 43 9.790 6.577 2.339 1.00 1.44 H new ATOM 0 HZ2 LYS A 43 9.146 7.295 3.737 1.00 1.44 H new ATOM 0 HZ3 LYS A 43 9.133 5.605 3.568 1.00 1.44 H new ATOM 652 N ALA A 44 2.311 4.419 1.596 1.00 0.69 N ATOM 653 CA ALA A 44 1.853 3.148 2.134 1.00 0.65 C ATOM 654 C ALA A 44 3.068 2.301 2.488 1.00 0.66 C ATOM 655 O ALA A 44 3.891 1.995 1.624 1.00 0.80 O ATOM 656 CB ALA A 44 0.941 2.436 1.133 1.00 0.74 C ATOM 0 H ALA A 44 2.589 4.359 0.616 1.00 0.69 H new ATOM 0 HA ALA A 44 1.264 3.316 3.036 1.00 0.65 H new ATOM 0 HB1 ALA A 44 0.609 1.487 1.554 1.00 0.74 H new ATOM 0 HB2 ALA A 44 0.074 3.062 0.921 1.00 0.74 H new ATOM 0 HB3 ALA A 44 1.489 2.251 0.209 1.00 0.74 H new ATOM 662 N HIS A 45 3.155 1.941 3.769 1.00 0.59 N ATOM 663 CA HIS A 45 4.022 0.934 4.331 1.00 0.80 C ATOM 664 C HIS A 45 3.221 -0.363 4.278 1.00 0.65 C ATOM 665 O HIS A 45 2.095 -0.393 4.774 1.00 0.58 O ATOM 666 CB HIS A 45 4.376 1.382 5.767 1.00 1.16 C ATOM 667 CG HIS A 45 4.376 0.343 6.865 1.00 0.99 C ATOM 668 ND1 HIS A 45 4.048 0.572 8.184 1.00 1.62 N ATOM 669 CD2 HIS A 45 4.826 -0.945 6.779 1.00 0.86 C ATOM 670 CE1 HIS A 45 4.353 -0.533 8.879 1.00 1.55 C ATOM 671 NE2 HIS A 45 4.855 -1.480 8.072 1.00 1.17 N ATOM 0 H HIS A 45 2.576 2.384 4.482 1.00 0.59 H new ATOM 0 HA HIS A 45 4.963 0.790 3.801 1.00 0.80 H new ATOM 0 HB2 HIS A 45 5.367 1.835 5.739 1.00 1.16 H new ATOM 0 HB3 HIS A 45 3.675 2.166 6.052 1.00 1.16 H new ATOM 0 HD1 HIS A 45 3.645 1.429 8.563 1.00 1.62 H new ATOM 0 HD2 HIS A 45 5.109 -1.459 5.873 1.00 0.86 H new ATOM 0 HE1 HIS A 45 4.214 -0.646 9.944 1.00 1.55 H new ATOM 679 N ILE A 46 3.805 -1.415 3.693 1.00 0.68 N ATOM 680 CA ILE A 46 3.251 -2.758 3.647 1.00 0.57 C ATOM 681 C ILE A 46 4.238 -3.721 4.320 1.00 0.69 C ATOM 682 O ILE A 46 5.425 -3.713 4.003 1.00 0.93 O ATOM 683 CB ILE A 46 3.017 -3.133 2.172 1.00 0.67 C ATOM 684 CG1 ILE A 46 1.986 -2.216 1.488 1.00 0.75 C ATOM 685 CG2 ILE A 46 2.547 -4.570 1.967 1.00 0.80 C ATOM 686 CD1 ILE A 46 2.638 -1.064 0.727 1.00 1.20 C ATOM 0 H ILE A 46 4.708 -1.344 3.224 1.00 0.68 H new ATOM 0 HA ILE A 46 2.301 -2.816 4.178 1.00 0.57 H new ATOM 0 HB ILE A 46 4.001 -3.010 1.720 1.00 0.67 H new ATOM 0 HG12 ILE A 46 1.382 -2.806 0.799 1.00 0.75 H new ATOM 0 HG13 ILE A 46 1.309 -1.812 2.241 1.00 0.75 H new ATOM 0 HG21 ILE A 46 2.404 -4.758 0.903 1.00 0.80 H new ATOM 0 HG22 ILE A 46 3.296 -5.257 2.360 1.00 0.80 H new ATOM 0 HG23 ILE A 46 1.604 -4.723 2.492 1.00 0.80 H new ATOM 0 HD11 ILE A 46 1.865 -0.450 0.265 1.00 1.20 H new ATOM 0 HD12 ILE A 46 3.221 -0.455 1.418 1.00 1.20 H new ATOM 0 HD13 ILE A 46 3.294 -1.464 -0.046 1.00 1.20 H new ATOM 698 N LYS A 47 3.741 -4.546 5.246 1.00 0.66 N ATOM 699 CA LYS A 47 4.425 -5.709 5.821 1.00 0.80 C ATOM 700 C LYS A 47 3.834 -6.969 5.196 1.00 0.70 C ATOM 701 O LYS A 47 2.842 -7.492 5.704 1.00 0.96 O ATOM 702 CB LYS A 47 4.264 -5.750 7.346 1.00 0.95 C ATOM 703 CG LYS A 47 4.998 -4.584 8.010 1.00 0.99 C ATOM 704 CD LYS A 47 6.360 -5.061 8.538 1.00 1.03 C ATOM 705 CE LYS A 47 7.106 -3.968 9.314 1.00 1.22 C ATOM 706 NZ LYS A 47 7.250 -2.724 8.535 1.00 2.58 N ATOM 0 H LYS A 47 2.807 -4.415 5.634 1.00 0.66 H new ATOM 0 HA LYS A 47 5.492 -5.643 5.607 1.00 0.80 H new ATOM 0 HB2 LYS A 47 3.206 -5.711 7.604 1.00 0.95 H new ATOM 0 HB3 LYS A 47 4.652 -6.694 7.730 1.00 0.95 H new ATOM 0 HG2 LYS A 47 5.138 -3.775 7.293 1.00 0.99 H new ATOM 0 HG3 LYS A 47 4.400 -4.184 8.829 1.00 0.99 H new ATOM 0 HD2 LYS A 47 6.212 -5.925 9.186 1.00 1.03 H new ATOM 0 HD3 LYS A 47 6.975 -5.391 7.701 1.00 1.03 H new ATOM 0 HE2 LYS A 47 6.571 -3.754 10.239 1.00 1.22 H new ATOM 0 HE3 LYS A 47 8.094 -4.335 9.594 1.00 1.22 H new ATOM 0 HZ1 LYS A 47 8.000 -2.137 8.953 1.00 2.58 H new ATOM 0 HZ2 LYS A 47 7.500 -2.957 7.553 1.00 2.58 H new ATOM 0 HZ3 LYS A 47 6.352 -2.200 8.549 1.00 2.58 H new ATOM 720 N TYR A 48 4.412 -7.425 4.085 1.00 0.56 N ATOM 721 CA TYR A 48 3.932 -8.550 3.296 1.00 0.48 C ATOM 722 C TYR A 48 5.118 -9.323 2.738 1.00 0.46 C ATOM 723 O TYR A 48 6.260 -8.902 2.912 1.00 0.59 O ATOM 724 CB TYR A 48 3.040 -8.063 2.144 1.00 0.60 C ATOM 725 CG TYR A 48 3.757 -7.562 0.899 1.00 0.68 C ATOM 726 CD1 TYR A 48 4.948 -6.815 0.983 1.00 1.62 C ATOM 727 CD2 TYR A 48 3.257 -7.913 -0.366 1.00 2.04 C ATOM 728 CE1 TYR A 48 5.700 -6.557 -0.169 1.00 1.62 C ATOM 729 CE2 TYR A 48 3.938 -7.519 -1.528 1.00 2.20 C ATOM 730 CZ TYR A 48 5.178 -6.868 -1.428 1.00 1.09 C ATOM 731 OH TYR A 48 5.872 -6.517 -2.545 1.00 1.38 O ATOM 0 H TYR A 48 5.257 -7.004 3.699 1.00 0.56 H new ATOM 0 HA TYR A 48 3.340 -9.201 3.939 1.00 0.48 H new ATOM 0 HB2 TYR A 48 2.381 -8.881 1.853 1.00 0.60 H new ATOM 0 HB3 TYR A 48 2.405 -7.260 2.519 1.00 0.60 H new ATOM 0 HD1 TYR A 48 5.282 -6.440 1.939 1.00 1.62 H new ATOM 0 HD2 TYR A 48 2.346 -8.488 -0.444 1.00 2.04 H new ATOM 0 HE1 TYR A 48 6.683 -6.118 -0.085 1.00 1.62 H new ATOM 0 HE2 TYR A 48 3.508 -7.716 -2.499 1.00 2.20 H new ATOM 0 HH TYR A 48 6.792 -6.284 -2.299 1.00 1.38 H new ATOM 741 N ASP A 49 4.837 -10.399 1.998 1.00 0.71 N ATOM 742 CA ASP A 49 5.861 -11.147 1.306 1.00 0.90 C ATOM 743 C ASP A 49 5.888 -10.781 -0.188 1.00 0.99 C ATOM 744 O ASP A 49 4.856 -10.874 -0.861 1.00 1.21 O ATOM 745 CB ASP A 49 5.585 -12.624 1.513 1.00 1.13 C ATOM 746 CG ASP A 49 6.727 -13.390 0.889 1.00 2.66 C ATOM 747 OD1 ASP A 49 6.710 -13.548 -0.352 1.00 4.18 O ATOM 748 OD2 ASP A 49 7.642 -13.708 1.671 1.00 3.24 O ATOM 0 H ASP A 49 3.894 -10.766 1.869 1.00 0.71 H new ATOM 0 HA ASP A 49 6.845 -10.901 1.707 1.00 0.90 H new ATOM 0 HB2 ASP A 49 5.504 -12.854 2.575 1.00 1.13 H new ATOM 0 HB3 ASP A 49 4.638 -12.905 1.053 1.00 1.13 H new ATOM 753 N PRO A 50 7.041 -10.352 -0.726 1.00 0.92 N ATOM 754 CA PRO A 50 7.170 -9.933 -2.109 1.00 1.04 C ATOM 755 C PRO A 50 7.386 -11.111 -3.070 1.00 1.26 C ATOM 756 O PRO A 50 7.367 -10.903 -4.284 1.00 1.70 O ATOM 757 CB PRO A 50 8.376 -8.991 -2.122 1.00 1.10 C ATOM 758 CG PRO A 50 9.282 -9.603 -1.057 1.00 1.03 C ATOM 759 CD PRO A 50 8.283 -10.106 -0.015 1.00 0.88 C ATOM 0 HA PRO A 50 6.255 -9.453 -2.456 1.00 1.04 H new ATOM 0 HB2 PRO A 50 8.859 -8.963 -3.099 1.00 1.10 H new ATOM 0 HB3 PRO A 50 8.094 -7.967 -1.876 1.00 1.10 H new ATOM 0 HG2 PRO A 50 9.890 -10.413 -1.459 1.00 1.03 H new ATOM 0 HG3 PRO A 50 9.968 -8.867 -0.638 1.00 1.03 H new ATOM 0 HD2 PRO A 50 8.645 -11.017 0.462 1.00 0.88 H new ATOM 0 HD3 PRO A 50 8.140 -9.368 0.774 1.00 0.88 H new ATOM 767 N GLU A 51 7.611 -12.329 -2.567 1.00 1.19 N ATOM 768 CA GLU A 51 7.910 -13.489 -3.388 1.00 1.39 C ATOM 769 C GLU A 51 6.600 -14.193 -3.741 1.00 1.42 C ATOM 770 O GLU A 51 6.304 -14.374 -4.926 1.00 2.13 O ATOM 771 CB GLU A 51 8.921 -14.399 -2.666 1.00 1.55 C ATOM 772 CG GLU A 51 10.255 -13.658 -2.467 1.00 2.46 C ATOM 773 CD GLU A 51 11.309 -14.472 -1.732 1.00 2.71 C ATOM 774 OE1 GLU A 51 11.198 -15.716 -1.643 1.00 2.99 O ATOM 775 OE2 GLU A 51 12.276 -13.863 -1.219 1.00 3.49 O ATOM 0 H GLU A 51 7.589 -12.531 -1.567 1.00 1.19 H new ATOM 0 HA GLU A 51 8.384 -13.194 -4.324 1.00 1.39 H new ATOM 0 HB2 GLU A 51 8.520 -14.706 -1.700 1.00 1.55 H new ATOM 0 HB3 GLU A 51 9.084 -15.307 -3.247 1.00 1.55 H new ATOM 0 HG2 GLU A 51 10.648 -13.369 -3.442 1.00 2.46 H new ATOM 0 HG3 GLU A 51 10.069 -12.738 -1.913 1.00 2.46 H new ATOM 782 N ILE A 52 5.801 -14.559 -2.731 1.00 1.01 N ATOM 783 CA ILE A 52 4.541 -15.270 -2.942 1.00 1.07 C ATOM 784 C ILE A 52 3.496 -14.387 -3.630 1.00 1.01 C ATOM 785 O ILE A 52 3.255 -14.513 -4.830 1.00 1.46 O ATOM 786 CB ILE A 52 4.012 -15.948 -1.659 1.00 1.12 C ATOM 787 CG1 ILE A 52 4.094 -15.103 -0.382 1.00 1.04 C ATOM 788 CG2 ILE A 52 4.758 -17.264 -1.412 1.00 1.35 C ATOM 789 CD1 ILE A 52 2.846 -15.275 0.489 1.00 1.04 C ATOM 0 H ILE A 52 6.011 -14.370 -1.751 1.00 1.01 H new ATOM 0 HA ILE A 52 4.755 -16.087 -3.631 1.00 1.07 H new ATOM 0 HB ILE A 52 2.951 -16.106 -1.855 1.00 1.12 H new ATOM 0 HG12 ILE A 52 4.978 -15.389 0.188 1.00 1.04 H new ATOM 0 HG13 ILE A 52 4.211 -14.052 -0.647 1.00 1.04 H new ATOM 0 HG21 ILE A 52 4.377 -17.733 -0.505 1.00 1.35 H new ATOM 0 HG22 ILE A 52 4.605 -17.933 -2.259 1.00 1.35 H new ATOM 0 HG23 ILE A 52 5.823 -17.062 -1.296 1.00 1.35 H new ATOM 0 HD11 ILE A 52 2.940 -14.661 1.385 1.00 1.04 H new ATOM 0 HD12 ILE A 52 1.965 -14.965 -0.073 1.00 1.04 H new ATOM 0 HD13 ILE A 52 2.744 -16.322 0.775 1.00 1.04 H new ATOM 801 N ILE A 53 2.848 -13.496 -2.887 1.00 0.73 N ATOM 802 CA ILE A 53 1.816 -12.631 -3.435 1.00 0.73 C ATOM 803 C ILE A 53 2.460 -11.620 -4.386 1.00 0.62 C ATOM 804 O ILE A 53 2.164 -11.606 -5.582 1.00 0.81 O ATOM 805 CB ILE A 53 0.937 -12.039 -2.318 1.00 0.85 C ATOM 806 CG1 ILE A 53 -0.149 -11.155 -2.946 1.00 1.01 C ATOM 807 CG2 ILE A 53 1.698 -11.273 -1.227 1.00 0.83 C ATOM 808 CD1 ILE A 53 -1.313 -10.921 -1.984 1.00 1.34 C ATOM 0 H ILE A 53 3.024 -13.355 -1.892 1.00 0.73 H new ATOM 0 HA ILE A 53 1.110 -13.199 -4.041 1.00 0.73 H new ATOM 0 HB ILE A 53 0.495 -12.888 -1.797 1.00 0.85 H new ATOM 0 HG12 ILE A 53 0.283 -10.197 -3.234 1.00 1.01 H new ATOM 0 HG13 ILE A 53 -0.519 -11.625 -3.857 1.00 1.01 H new ATOM 0 HG21 ILE A 53 0.992 -10.895 -0.488 1.00 0.83 H new ATOM 0 HG22 ILE A 53 2.409 -11.942 -0.742 1.00 0.83 H new ATOM 0 HG23 ILE A 53 2.234 -10.437 -1.676 1.00 0.83 H new ATOM 0 HD11 ILE A 53 -2.061 -10.291 -2.465 1.00 1.34 H new ATOM 0 HD12 ILE A 53 -1.762 -11.878 -1.716 1.00 1.34 H new ATOM 0 HD13 ILE A 53 -0.947 -10.427 -1.084 1.00 1.34 H new ATOM 820 N GLY A 54 3.426 -10.856 -3.882 1.00 0.62 N ATOM 821 CA GLY A 54 4.251 -9.985 -4.700 1.00 0.63 C ATOM 822 C GLY A 54 3.636 -8.606 -4.914 1.00 0.55 C ATOM 823 O GLY A 54 2.432 -8.419 -4.745 1.00 0.64 O ATOM 0 H GLY A 54 3.656 -10.827 -2.889 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.227 -9.872 -4.229 1.00 0.63 H new ATOM 0 HA3 GLY A 54 4.417 -10.456 -5.669 1.00 0.63 H new ATOM 827 N PRO A 55 4.475 -7.617 -5.266 1.00 0.54 N ATOM 828 CA PRO A 55 4.076 -6.220 -5.375 1.00 0.62 C ATOM 829 C PRO A 55 2.966 -6.048 -6.407 1.00 0.71 C ATOM 830 O PRO A 55 2.048 -5.269 -6.186 1.00 0.83 O ATOM 831 CB PRO A 55 5.348 -5.450 -5.745 1.00 0.74 C ATOM 832 CG PRO A 55 6.252 -6.506 -6.383 1.00 0.69 C ATOM 833 CD PRO A 55 5.869 -7.792 -5.650 1.00 0.58 C ATOM 0 HA PRO A 55 3.660 -5.840 -4.442 1.00 0.62 H new ATOM 0 HB2 PRO A 55 5.134 -4.637 -6.439 1.00 0.74 H new ATOM 0 HB3 PRO A 55 5.814 -5.005 -4.866 1.00 0.74 H new ATOM 0 HG2 PRO A 55 6.078 -6.588 -7.456 1.00 0.69 H new ATOM 0 HG3 PRO A 55 7.307 -6.266 -6.249 1.00 0.69 H new ATOM 0 HD2 PRO A 55 5.993 -8.663 -6.294 1.00 0.58 H new ATOM 0 HD3 PRO A 55 6.501 -7.949 -4.776 1.00 0.58 H new ATOM 841 N ARG A 56 3.055 -6.794 -7.511 1.00 0.72 N ATOM 842 CA ARG A 56 2.065 -6.895 -8.578 1.00 1.04 C ATOM 843 C ARG A 56 0.617 -6.738 -8.087 1.00 0.89 C ATOM 844 O ARG A 56 -0.067 -5.781 -8.453 1.00 0.88 O ATOM 845 CB ARG A 56 2.312 -8.215 -9.341 1.00 1.37 C ATOM 846 CG ARG A 56 2.340 -9.484 -8.456 1.00 3.61 C ATOM 847 CD ARG A 56 3.413 -10.496 -8.888 1.00 4.51 C ATOM 848 NE ARG A 56 3.528 -11.588 -7.899 1.00 6.62 N ATOM 849 CZ ARG A 56 4.622 -12.329 -7.645 1.00 7.92 C ATOM 850 NH1 ARG A 56 5.723 -12.188 -8.389 1.00 7.60 N ATOM 851 NH2 ARG A 56 4.621 -13.197 -6.631 1.00 9.91 N ATOM 0 H ARG A 56 3.872 -7.378 -7.692 1.00 0.72 H new ATOM 0 HA ARG A 56 2.192 -6.056 -9.262 1.00 1.04 H new ATOM 0 HB2 ARG A 56 1.534 -8.333 -10.095 1.00 1.37 H new ATOM 0 HB3 ARG A 56 3.261 -8.139 -9.872 1.00 1.37 H new ATOM 0 HG2 ARG A 56 2.518 -9.194 -7.421 1.00 3.61 H new ATOM 0 HG3 ARG A 56 1.362 -9.964 -8.488 1.00 3.61 H new ATOM 0 HD2 ARG A 56 3.159 -10.908 -9.865 1.00 4.51 H new ATOM 0 HD3 ARG A 56 4.374 -9.992 -8.994 1.00 4.51 H new ATOM 0 HE ARG A 56 2.693 -11.802 -7.353 1.00 6.62 H new ATOM 0 HH11 ARG A 56 5.738 -11.515 -9.155 1.00 7.60 H new ATOM 0 HH12 ARG A 56 6.549 -12.753 -8.190 1.00 7.60 H new ATOM 0 HH21 ARG A 56 3.790 -13.299 -6.048 1.00 9.91 H new ATOM 0 HH22 ARG A 56 5.451 -13.758 -6.439 1.00 9.91 H new ATOM 865 N ASP A 57 0.166 -7.678 -7.250 1.00 0.82 N ATOM 866 CA ASP A 57 -1.187 -7.729 -6.715 1.00 0.76 C ATOM 867 C ASP A 57 -1.532 -6.401 -6.047 1.00 0.60 C ATOM 868 O ASP A 57 -2.484 -5.720 -6.427 1.00 0.55 O ATOM 869 CB ASP A 57 -1.268 -8.885 -5.710 1.00 0.81 C ATOM 870 CG ASP A 57 -2.546 -8.822 -4.883 1.00 1.80 C ATOM 871 OD1 ASP A 57 -3.573 -9.353 -5.350 1.00 2.67 O ATOM 872 OD2 ASP A 57 -2.482 -8.243 -3.779 1.00 2.91 O ATOM 0 H ASP A 57 0.754 -8.444 -6.920 1.00 0.82 H new ATOM 0 HA ASP A 57 -1.906 -7.897 -7.517 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -1.226 -9.835 -6.243 1.00 0.81 H new ATOM 0 HB3 ASP A 57 -0.403 -8.853 -5.047 1.00 0.81 H new ATOM 877 N ILE A 58 -0.722 -6.036 -5.057 1.00 0.59 N ATOM 878 CA ILE A 58 -0.928 -4.851 -4.248 1.00 0.56 C ATOM 879 C ILE A 58 -0.984 -3.619 -5.139 1.00 0.55 C ATOM 880 O ILE A 58 -1.999 -2.933 -5.158 1.00 0.57 O ATOM 881 CB ILE A 58 0.147 -4.792 -3.149 1.00 0.62 C ATOM 882 CG1 ILE A 58 -0.207 -5.906 -2.145 1.00 0.73 C ATOM 883 CG2 ILE A 58 0.245 -3.404 -2.495 1.00 0.60 C ATOM 884 CD1 ILE A 58 0.656 -5.891 -0.890 1.00 1.22 C ATOM 0 H ILE A 58 0.108 -6.568 -4.795 1.00 0.59 H new ATOM 0 HA ILE A 58 -1.889 -4.888 -3.735 1.00 0.56 H new ATOM 0 HB ILE A 58 1.141 -4.955 -3.566 1.00 0.62 H new ATOM 0 HG12 ILE A 58 -1.254 -5.806 -1.858 1.00 0.73 H new ATOM 0 HG13 ILE A 58 -0.103 -6.873 -2.636 1.00 0.73 H new ATOM 0 HG21 ILE A 58 1.018 -3.417 -1.727 1.00 0.60 H new ATOM 0 HG22 ILE A 58 0.499 -2.662 -3.252 1.00 0.60 H new ATOM 0 HG23 ILE A 58 -0.712 -3.147 -2.042 1.00 0.60 H new ATOM 0 HD11 ILE A 58 0.351 -6.702 -0.229 1.00 1.22 H new ATOM 0 HD12 ILE A 58 1.702 -6.022 -1.166 1.00 1.22 H new ATOM 0 HD13 ILE A 58 0.533 -4.938 -0.375 1.00 1.22 H new ATOM 896 N ILE A 59 0.080 -3.341 -5.886 1.00 0.56 N ATOM 897 CA ILE A 59 0.163 -2.180 -6.756 1.00 0.59 C ATOM 898 C ILE A 59 -1.081 -2.091 -7.641 1.00 0.57 C ATOM 899 O ILE A 59 -1.738 -1.054 -7.657 1.00 0.58 O ATOM 900 CB ILE A 59 1.499 -2.205 -7.530 1.00 0.70 C ATOM 901 CG1 ILE A 59 2.640 -1.831 -6.567 1.00 0.87 C ATOM 902 CG2 ILE A 59 1.490 -1.280 -8.756 1.00 0.94 C ATOM 903 CD1 ILE A 59 4.027 -1.933 -7.206 1.00 1.25 C ATOM 0 H ILE A 59 0.917 -3.924 -5.902 1.00 0.56 H new ATOM 0 HA ILE A 59 0.170 -1.260 -6.171 1.00 0.59 H new ATOM 0 HB ILE A 59 1.651 -3.213 -7.915 1.00 0.70 H new ATOM 0 HG12 ILE A 59 2.486 -0.813 -6.210 1.00 0.87 H new ATOM 0 HG13 ILE A 59 2.600 -2.484 -5.695 1.00 0.87 H new ATOM 0 HG21 ILE A 59 2.454 -1.337 -9.262 1.00 0.94 H new ATOM 0 HG22 ILE A 59 0.701 -1.591 -9.441 1.00 0.94 H new ATOM 0 HG23 ILE A 59 1.309 -0.254 -8.436 1.00 0.94 H new ATOM 0 HD11 ILE A 59 4.786 -1.656 -6.474 1.00 1.25 H new ATOM 0 HD12 ILE A 59 4.200 -2.956 -7.539 1.00 1.25 H new ATOM 0 HD13 ILE A 59 4.084 -1.259 -8.061 1.00 1.25 H new ATOM 915 N HIS A 60 -1.447 -3.169 -8.336 1.00 0.57 N ATOM 916 CA HIS A 60 -2.583 -3.108 -9.250 1.00 0.55 C ATOM 917 C HIS A 60 -3.906 -2.962 -8.498 1.00 0.56 C ATOM 918 O HIS A 60 -4.821 -2.283 -8.972 1.00 0.58 O ATOM 919 CB HIS A 60 -2.561 -4.290 -10.219 1.00 0.66 C ATOM 920 CG HIS A 60 -1.412 -4.186 -11.191 1.00 1.09 C ATOM 921 ND1 HIS A 60 -1.049 -3.054 -11.891 1.00 2.12 N ATOM 922 CD2 HIS A 60 -0.512 -5.171 -11.502 1.00 1.51 C ATOM 923 CE1 HIS A 60 0.047 -3.358 -12.606 1.00 2.51 C ATOM 924 NE2 HIS A 60 0.413 -4.636 -12.403 1.00 2.09 N ATOM 0 H HIS A 60 -0.983 -4.076 -8.285 1.00 0.57 H new ATOM 0 HA HIS A 60 -2.492 -2.207 -9.856 1.00 0.55 H new ATOM 0 HB2 HIS A 60 -2.481 -5.221 -9.658 1.00 0.66 H new ATOM 0 HB3 HIS A 60 -3.502 -4.329 -10.768 1.00 0.66 H new ATOM 0 HD1 HIS A 60 -1.525 -2.152 -11.870 1.00 2.12 H new ATOM 0 HD2 HIS A 60 -0.516 -6.181 -11.119 1.00 1.51 H new ATOM 0 HE1 HIS A 60 0.565 -2.669 -13.256 1.00 2.51 H new ATOM 932 N THR A 61 -4.008 -3.545 -7.302 1.00 0.55 N ATOM 933 CA THR A 61 -5.163 -3.301 -6.457 1.00 0.56 C ATOM 934 C THR A 61 -5.236 -1.811 -6.136 1.00 0.53 C ATOM 935 O THR A 61 -6.232 -1.171 -6.445 1.00 0.62 O ATOM 936 CB THR A 61 -5.123 -4.166 -5.190 1.00 0.60 C ATOM 937 OG1 THR A 61 -5.087 -5.524 -5.565 1.00 0.67 O ATOM 938 CG2 THR A 61 -6.374 -3.943 -4.334 1.00 0.69 C ATOM 0 H THR A 61 -3.313 -4.179 -6.907 1.00 0.55 H new ATOM 0 HA THR A 61 -6.070 -3.588 -6.989 1.00 0.56 H new ATOM 0 HB THR A 61 -4.240 -3.891 -4.614 1.00 0.60 H new ATOM 0 HG1 THR A 61 -4.175 -5.767 -5.828 1.00 0.67 H new ATOM 0 HG21 THR A 61 -6.321 -4.568 -3.442 1.00 0.69 H new ATOM 0 HG22 THR A 61 -6.432 -2.895 -4.040 1.00 0.69 H new ATOM 0 HG23 THR A 61 -7.261 -4.208 -4.910 1.00 0.69 H new ATOM 946 N ILE A 62 -4.195 -1.252 -5.520 1.00 0.48 N ATOM 947 CA ILE A 62 -4.164 0.122 -5.048 1.00 0.48 C ATOM 948 C ILE A 62 -4.367 1.116 -6.199 1.00 0.44 C ATOM 949 O ILE A 62 -5.081 2.105 -6.033 1.00 0.46 O ATOM 950 CB ILE A 62 -2.878 0.345 -4.228 1.00 0.61 C ATOM 951 CG1 ILE A 62 -2.787 -0.583 -2.997 1.00 0.74 C ATOM 952 CG2 ILE A 62 -2.771 1.797 -3.757 1.00 0.69 C ATOM 953 CD1 ILE A 62 -4.114 -0.775 -2.263 1.00 1.83 C ATOM 0 H ILE A 62 -3.330 -1.760 -5.333 1.00 0.48 H new ATOM 0 HA ILE A 62 -5.003 0.311 -4.378 1.00 0.48 H new ATOM 0 HB ILE A 62 -2.052 0.107 -4.899 1.00 0.61 H new ATOM 0 HG12 ILE A 62 -2.416 -1.557 -3.316 1.00 0.74 H new ATOM 0 HG13 ILE A 62 -2.054 -0.175 -2.301 1.00 0.74 H new ATOM 0 HG21 ILE A 62 -1.855 1.926 -3.181 1.00 0.69 H new ATOM 0 HG22 ILE A 62 -2.752 2.460 -4.622 1.00 0.69 H new ATOM 0 HG23 ILE A 62 -3.630 2.041 -3.132 1.00 0.69 H new ATOM 0 HD11 ILE A 62 -3.966 -1.439 -1.411 1.00 1.83 H new ATOM 0 HD12 ILE A 62 -4.478 0.190 -1.911 1.00 1.83 H new ATOM 0 HD13 ILE A 62 -4.845 -1.213 -2.942 1.00 1.83 H new ATOM 965 N GLU A 63 -3.794 0.826 -7.370 1.00 0.47 N ATOM 966 CA GLU A 63 -4.077 1.502 -8.620 1.00 0.52 C ATOM 967 C GLU A 63 -5.595 1.511 -8.845 1.00 0.52 C ATOM 968 O GLU A 63 -6.239 2.561 -8.785 1.00 0.57 O ATOM 969 CB GLU A 63 -3.294 0.748 -9.707 1.00 0.58 C ATOM 970 CG GLU A 63 -3.418 1.335 -11.108 1.00 0.70 C ATOM 971 CD GLU A 63 -2.611 0.544 -12.139 1.00 1.76 C ATOM 972 OE1 GLU A 63 -2.187 -0.590 -11.812 1.00 2.71 O ATOM 973 OE2 GLU A 63 -2.434 1.085 -13.249 1.00 2.73 O ATOM 0 H GLU A 63 -3.098 0.087 -7.468 1.00 0.47 H new ATOM 0 HA GLU A 63 -3.765 2.546 -8.630 1.00 0.52 H new ATOM 0 HB2 GLU A 63 -2.240 0.729 -9.428 1.00 0.58 H new ATOM 0 HB3 GLU A 63 -3.637 -0.286 -9.730 1.00 0.58 H new ATOM 0 HG2 GLU A 63 -4.467 1.348 -11.403 1.00 0.70 H new ATOM 0 HG3 GLU A 63 -3.076 2.370 -11.098 1.00 0.70 H new ATOM 980 N SER A 64 -6.182 0.324 -9.032 1.00 0.58 N ATOM 981 CA SER A 64 -7.614 0.166 -9.270 1.00 0.65 C ATOM 982 C SER A 64 -8.471 0.774 -8.151 1.00 0.58 C ATOM 983 O SER A 64 -9.619 1.145 -8.387 1.00 0.60 O ATOM 984 CB SER A 64 -7.947 -1.314 -9.468 1.00 0.77 C ATOM 985 OG SER A 64 -9.291 -1.468 -9.890 1.00 1.15 O ATOM 0 H SER A 64 -5.670 -0.558 -9.022 1.00 0.58 H new ATOM 0 HA SER A 64 -7.858 0.717 -10.178 1.00 0.65 H new ATOM 0 HB2 SER A 64 -7.275 -1.748 -10.208 1.00 0.77 H new ATOM 0 HB3 SER A 64 -7.788 -1.857 -8.536 1.00 0.77 H new ATOM 0 HG SER A 64 -9.488 -2.420 -10.014 1.00 1.15 H new ATOM 991 N LEU A 65 -7.940 0.838 -6.929 1.00 0.59 N ATOM 992 CA LEU A 65 -8.611 1.352 -5.743 1.00 0.58 C ATOM 993 C LEU A 65 -8.666 2.884 -5.746 1.00 0.57 C ATOM 994 O LEU A 65 -9.323 3.465 -4.877 1.00 0.82 O ATOM 995 CB LEU A 65 -7.896 0.786 -4.507 1.00 0.82 C ATOM 996 CG LEU A 65 -8.715 0.726 -3.214 1.00 0.98 C ATOM 997 CD1 LEU A 65 -9.879 -0.272 -3.305 1.00 2.28 C ATOM 998 CD2 LEU A 65 -7.777 0.274 -2.091 1.00 2.06 C ATOM 0 H LEU A 65 -6.991 0.519 -6.735 1.00 0.59 H new ATOM 0 HA LEU A 65 -9.651 1.027 -5.729 1.00 0.58 H new ATOM 0 HB2 LEU A 65 -7.554 -0.222 -4.742 1.00 0.82 H new ATOM 0 HB3 LEU A 65 -7.007 1.389 -4.321 1.00 0.82 H new ATOM 0 HG LEU A 65 -9.139 1.713 -3.029 1.00 0.98 H new ATOM 0 HD11 LEU A 65 -10.428 -0.277 -2.364 1.00 2.28 H new ATOM 0 HD12 LEU A 65 -10.548 0.022 -4.114 1.00 2.28 H new ATOM 0 HD13 LEU A 65 -9.488 -1.270 -3.502 1.00 2.28 H new ATOM 0 HD21 LEU A 65 -8.331 0.221 -1.154 1.00 2.06 H new ATOM 0 HD22 LEU A 65 -7.372 -0.709 -2.329 1.00 2.06 H new ATOM 0 HD23 LEU A 65 -6.960 0.988 -1.990 1.00 2.06 H new ATOM 1010 N GLY A 66 -8.024 3.533 -6.726 1.00 0.56 N ATOM 1011 CA GLY A 66 -8.166 4.954 -6.999 1.00 0.56 C ATOM 1012 C GLY A 66 -7.058 5.765 -6.338 1.00 0.49 C ATOM 1013 O GLY A 66 -7.331 6.808 -5.748 1.00 0.64 O ATOM 0 H GLY A 66 -7.378 3.066 -7.362 1.00 0.56 H new ATOM 0 HA2 GLY A 66 -8.148 5.122 -8.076 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -9.135 5.299 -6.639 1.00 0.56 H new ATOM 1017 N PHE A 67 -5.814 5.295 -6.460 1.00 0.45 N ATOM 1018 CA PHE A 67 -4.625 5.973 -5.963 1.00 0.49 C ATOM 1019 C PHE A 67 -3.493 5.740 -6.962 1.00 0.54 C ATOM 1020 O PHE A 67 -3.666 4.946 -7.884 1.00 0.69 O ATOM 1021 CB PHE A 67 -4.256 5.418 -4.584 1.00 0.59 C ATOM 1022 CG PHE A 67 -5.379 5.446 -3.570 1.00 0.58 C ATOM 1023 CD1 PHE A 67 -5.795 6.673 -3.029 1.00 1.80 C ATOM 1024 CD2 PHE A 67 -6.080 4.269 -3.254 1.00 2.15 C ATOM 1025 CE1 PHE A 67 -6.930 6.733 -2.203 1.00 1.80 C ATOM 1026 CE2 PHE A 67 -7.167 4.317 -2.365 1.00 2.15 C ATOM 1027 CZ PHE A 67 -7.593 5.550 -1.838 1.00 0.58 C ATOM 0 H PHE A 67 -5.606 4.409 -6.920 1.00 0.45 H new ATOM 0 HA PHE A 67 -4.805 7.043 -5.859 1.00 0.49 H new ATOM 0 HB2 PHE A 67 -3.916 4.389 -4.701 1.00 0.59 H new ATOM 0 HB3 PHE A 67 -3.415 5.989 -4.191 1.00 0.59 H new ATOM 0 HD1 PHE A 67 -5.241 7.574 -3.248 1.00 1.80 H new ATOM 0 HD2 PHE A 67 -5.783 3.329 -3.694 1.00 2.15 H new ATOM 0 HE1 PHE A 67 -7.292 7.687 -1.849 1.00 1.80 H new ATOM 0 HE2 PHE A 67 -7.676 3.406 -2.086 1.00 2.15 H new ATOM 0 HZ PHE A 67 -8.428 5.587 -1.154 1.00 0.58 H new ATOM 1037 N GLU A 68 -2.347 6.409 -6.783 1.00 0.58 N ATOM 1038 CA GLU A 68 -1.231 6.351 -7.729 1.00 0.61 C ATOM 1039 C GLU A 68 0.020 5.709 -7.103 1.00 0.65 C ATOM 1040 O GLU A 68 0.916 6.432 -6.673 1.00 0.78 O ATOM 1041 CB GLU A 68 -1.011 7.769 -8.285 1.00 0.71 C ATOM 1042 CG GLU A 68 -0.116 7.825 -9.533 1.00 2.14 C ATOM 1043 CD GLU A 68 1.362 7.906 -9.184 1.00 3.39 C ATOM 1044 OE1 GLU A 68 1.743 8.940 -8.592 1.00 3.79 O ATOM 1045 OE2 GLU A 68 2.090 6.944 -9.500 1.00 4.68 O ATOM 0 H GLU A 68 -2.170 7.006 -5.976 1.00 0.58 H new ATOM 0 HA GLU A 68 -1.465 5.693 -8.566 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -1.980 8.207 -8.527 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -0.567 8.388 -7.505 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -0.294 6.940 -10.144 1.00 2.14 H new ATOM 0 HG3 GLU A 68 -0.392 8.690 -10.136 1.00 2.14 H new ATOM 1052 N PRO A 69 0.081 4.366 -6.996 1.00 0.61 N ATOM 1053 CA PRO A 69 1.092 3.659 -6.216 1.00 0.68 C ATOM 1054 C PRO A 69 2.450 3.595 -6.922 1.00 0.88 C ATOM 1055 O PRO A 69 2.891 2.534 -7.360 1.00 1.55 O ATOM 1056 CB PRO A 69 0.502 2.265 -5.963 1.00 0.69 C ATOM 1057 CG PRO A 69 -0.353 2.037 -7.204 1.00 0.64 C ATOM 1058 CD PRO A 69 -0.927 3.425 -7.466 1.00 0.58 C ATOM 0 HA PRO A 69 1.306 4.182 -5.284 1.00 0.68 H new ATOM 0 HB2 PRO A 69 1.280 1.508 -5.861 1.00 0.69 H new ATOM 0 HB3 PRO A 69 -0.093 2.236 -5.050 1.00 0.69 H new ATOM 0 HG2 PRO A 69 0.240 1.677 -8.045 1.00 0.64 H new ATOM 0 HG3 PRO A 69 -1.137 1.300 -7.028 1.00 0.64 H new ATOM 0 HD2 PRO A 69 -1.133 3.569 -8.527 1.00 0.58 H new ATOM 0 HD3 PRO A 69 -1.870 3.565 -6.937 1.00 0.58 H new ATOM 1066 N SER A 70 3.150 4.725 -6.977 1.00 0.77 N ATOM 1067 CA SER A 70 4.521 4.769 -7.462 1.00 0.88 C ATOM 1068 C SER A 70 5.464 4.079 -6.469 1.00 0.93 C ATOM 1069 O SER A 70 5.351 4.276 -5.260 1.00 1.08 O ATOM 1070 CB SER A 70 4.925 6.226 -7.698 1.00 1.01 C ATOM 1071 OG SER A 70 4.839 6.985 -6.502 1.00 2.08 O ATOM 0 H SER A 70 2.782 5.631 -6.687 1.00 0.77 H new ATOM 0 HA SER A 70 4.593 4.230 -8.407 1.00 0.88 H new ATOM 0 HB2 SER A 70 5.944 6.265 -8.084 1.00 1.01 H new ATOM 0 HB3 SER A 70 4.279 6.666 -8.458 1.00 1.01 H new ATOM 0 HG SER A 70 4.191 6.568 -5.896 1.00 2.08 H new ATOM 1077 N LEU A 71 6.432 3.302 -6.959 1.00 1.00 N ATOM 1078 CA LEU A 71 7.532 2.831 -6.138 1.00 1.01 C ATOM 1079 C LEU A 71 8.519 3.994 -6.014 1.00 1.24 C ATOM 1080 O LEU A 71 9.067 4.438 -7.020 1.00 1.90 O ATOM 1081 CB LEU A 71 8.155 1.597 -6.803 1.00 1.25 C ATOM 1082 CG LEU A 71 9.487 1.183 -6.168 1.00 2.03 C ATOM 1083 CD1 LEU A 71 9.358 0.896 -4.666 1.00 3.20 C ATOM 1084 CD2 LEU A 71 10.031 -0.059 -6.881 1.00 2.98 C ATOM 0 H LEU A 71 6.469 2.988 -7.929 1.00 1.00 H new ATOM 0 HA LEU A 71 7.214 2.527 -5.141 1.00 1.01 H new ATOM 0 HB2 LEU A 71 7.454 0.764 -6.740 1.00 1.25 H new ATOM 0 HB3 LEU A 71 8.312 1.802 -7.862 1.00 1.25 H new ATOM 0 HG LEU A 71 10.175 2.020 -6.282 1.00 2.03 H new ATOM 0 HD11 LEU A 71 10.330 0.607 -4.266 1.00 3.20 H new ATOM 0 HD12 LEU A 71 9.006 1.791 -4.153 1.00 3.20 H new ATOM 0 HD13 LEU A 71 8.646 0.085 -4.510 1.00 3.20 H new ATOM 0 HD21 LEU A 71 10.978 -0.353 -6.429 1.00 2.98 H new ATOM 0 HD22 LEU A 71 9.315 -0.876 -6.786 1.00 2.98 H new ATOM 0 HD23 LEU A 71 10.187 0.166 -7.936 1.00 2.98 H new