USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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 130:sc= 0.746 USER MOD Set 1.2: A 36 SER OG : rot 85:sc= 0.839 USER MOD Set 2.1: A 27 THR OG1 : rot 81:sc= 1.52 USER MOD Set 2.2: A 35 CYS SG : rot -103:sc= -0.372 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.363 USER MOD Set 3.2: A 18 CYS SG : rot -124:sc= 1.26 USER MOD Set 3.3: A 21 LYS NZ :NH3+ -169:sc= 1.34 (180deg=0) USER MOD Single : A 13 MET CE :methyl 159:sc= -0.127 (180deg=-0.824) USER MOD Single : A 14 THR OG1 : rot -34:sc= 0.673 USER MOD Single : A 17 SER OG : rot 102:sc= 0.0758 USER MOD Single : A 20 HIS : no HD1:sc=-0.00424 X(o=-0.0042,f=-0.0075) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.547 X(o=-0.55,f=-0.71) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.031) USER MOD Single : A 43 LYS NZ :NH3+ -145:sc= 1.13 (180deg=0.793) USER MOD Single : A 45 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.7) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.834 (180deg=-1.96!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-1.2) USER MOD Single : A 61 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -54:sc= 0.632 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.918 -11.868 -2.610 1.00 1.64 N ATOM 40 CA GLY A 4 -4.148 -12.138 -1.409 1.00 1.50 C ATOM 41 C GLY A 4 -4.109 -10.879 -0.548 1.00 1.23 C ATOM 42 O GLY A 4 -4.015 -9.765 -1.063 1.00 1.38 O ATOM 0 HA2 GLY A 4 -4.596 -12.961 -0.852 1.00 1.50 H new ATOM 0 HA3 GLY A 4 -3.136 -12.445 -1.672 1.00 1.50 H new ATOM 46 N VAL A 5 -4.194 -11.046 0.774 1.00 1.36 N ATOM 47 CA VAL A 5 -4.143 -9.938 1.716 1.00 1.17 C ATOM 48 C VAL A 5 -2.693 -9.618 2.074 1.00 1.20 C ATOM 49 O VAL A 5 -1.857 -10.518 2.132 1.00 1.63 O ATOM 50 CB VAL A 5 -4.996 -10.268 2.956 1.00 1.26 C ATOM 51 CG1 VAL A 5 -4.451 -11.437 3.784 1.00 1.74 C ATOM 52 CG2 VAL A 5 -5.139 -9.044 3.866 1.00 2.05 C ATOM 0 H VAL A 5 -4.300 -11.958 1.217 1.00 1.36 H new ATOM 0 HA VAL A 5 -4.564 -9.043 1.258 1.00 1.17 H new ATOM 0 HB VAL A 5 -5.968 -10.566 2.563 1.00 1.26 H new ATOM 0 HG11 VAL A 5 -5.103 -11.611 4.640 1.00 1.74 H new ATOM 0 HG12 VAL A 5 -4.415 -12.335 3.167 1.00 1.74 H new ATOM 0 HG13 VAL A 5 -3.447 -11.197 4.135 1.00 1.74 H new ATOM 0 HG21 VAL A 5 -5.745 -9.304 4.733 1.00 2.05 H new ATOM 0 HG22 VAL A 5 -4.152 -8.720 4.197 1.00 2.05 H new ATOM 0 HG23 VAL A 5 -5.621 -8.236 3.316 1.00 2.05 H new ATOM 62 N LEU A 6 -2.399 -8.348 2.362 1.00 1.16 N ATOM 63 CA LEU A 6 -1.185 -7.957 3.062 1.00 1.43 C ATOM 64 C LEU A 6 -1.474 -6.668 3.828 1.00 1.31 C ATOM 65 O LEU A 6 -2.452 -5.978 3.541 1.00 1.90 O ATOM 66 CB LEU A 6 -0.008 -7.857 2.076 1.00 1.59 C ATOM 67 CG LEU A 6 1.372 -7.547 2.681 1.00 1.93 C ATOM 68 CD1 LEU A 6 1.831 -8.630 3.666 1.00 3.13 C ATOM 69 CD2 LEU A 6 2.392 -7.462 1.539 1.00 2.01 C ATOM 0 H LEU A 6 -3.002 -7.564 2.113 1.00 1.16 H new ATOM 0 HA LEU A 6 -0.881 -8.709 3.790 1.00 1.43 H new ATOM 0 HB2 LEU A 6 0.062 -8.799 1.532 1.00 1.59 H new ATOM 0 HB3 LEU A 6 -0.241 -7.083 1.344 1.00 1.59 H new ATOM 0 HG LEU A 6 1.298 -6.607 3.228 1.00 1.93 H new ATOM 0 HD11 LEU A 6 2.810 -8.366 4.066 1.00 3.13 H new ATOM 0 HD12 LEU A 6 1.113 -8.706 4.483 1.00 3.13 H new ATOM 0 HD13 LEU A 6 1.896 -9.588 3.149 1.00 3.13 H new ATOM 0 HD21 LEU A 6 3.378 -7.243 1.948 1.00 2.01 H new ATOM 0 HD22 LEU A 6 2.423 -8.413 1.007 1.00 2.01 H new ATOM 0 HD23 LEU A 6 2.101 -6.670 0.849 1.00 2.01 H new ATOM 81 N GLU A 7 -0.655 -6.380 4.839 1.00 0.85 N ATOM 82 CA GLU A 7 -0.762 -5.221 5.702 1.00 0.81 C ATOM 83 C GLU A 7 0.664 -4.754 5.976 1.00 0.82 C ATOM 84 O GLU A 7 1.474 -5.521 6.500 1.00 1.11 O ATOM 85 CB GLU A 7 -1.568 -5.601 6.948 1.00 1.03 C ATOM 86 CG GLU A 7 -1.769 -4.403 7.884 1.00 1.57 C ATOM 87 CD GLU A 7 -0.528 -4.109 8.714 1.00 2.93 C ATOM 88 OE1 GLU A 7 0.034 -5.089 9.251 1.00 3.85 O ATOM 89 OE2 GLU A 7 -0.136 -2.928 8.747 1.00 4.15 O ATOM 0 H GLU A 7 0.133 -6.979 5.083 1.00 0.85 H new ATOM 0 HA GLU A 7 -1.304 -4.388 5.255 1.00 0.81 H new ATOM 0 HB2 GLU A 7 -2.539 -5.994 6.647 1.00 1.03 H new ATOM 0 HB3 GLU A 7 -1.054 -6.399 7.484 1.00 1.03 H new ATOM 0 HG2 GLU A 7 -2.027 -3.523 7.295 1.00 1.57 H new ATOM 0 HG3 GLU A 7 -2.610 -4.600 8.548 1.00 1.57 H new ATOM 96 N LEU A 8 0.971 -3.534 5.537 1.00 0.75 N ATOM 97 CA LEU A 8 2.276 -2.907 5.644 1.00 0.75 C ATOM 98 C LEU A 8 2.105 -1.654 6.493 1.00 0.73 C ATOM 99 O LEU A 8 1.124 -0.941 6.296 1.00 0.70 O ATOM 100 CB LEU A 8 2.739 -2.488 4.240 1.00 1.07 C ATOM 101 CG LEU A 8 2.876 -3.658 3.252 1.00 1.43 C ATOM 102 CD1 LEU A 8 2.924 -3.109 1.823 1.00 1.95 C ATOM 103 CD2 LEU A 8 4.137 -4.477 3.549 1.00 2.98 C ATOM 0 H LEU A 8 0.284 -2.935 5.079 1.00 0.75 H new ATOM 0 HA LEU A 8 3.004 -3.588 6.085 1.00 0.75 H new ATOM 0 HB2 LEU A 8 2.030 -1.765 3.835 1.00 1.07 H new ATOM 0 HB3 LEU A 8 3.700 -1.980 4.322 1.00 1.07 H new ATOM 0 HG LEU A 8 2.015 -4.317 3.361 1.00 1.43 H new ATOM 0 HD11 LEU A 8 3.021 -3.935 1.119 1.00 1.95 H new ATOM 0 HD12 LEU A 8 2.006 -2.560 1.613 1.00 1.95 H new ATOM 0 HD13 LEU A 8 3.779 -2.441 1.718 1.00 1.95 H new ATOM 0 HD21 LEU A 8 4.213 -5.299 2.837 1.00 2.98 H new ATOM 0 HD22 LEU A 8 5.015 -3.838 3.460 1.00 2.98 H new ATOM 0 HD23 LEU A 8 4.081 -4.877 4.561 1.00 2.98 H new ATOM 115 N VAL A 9 3.073 -1.326 7.349 1.00 0.82 N ATOM 116 CA VAL A 9 3.164 0.001 7.929 1.00 0.83 C ATOM 117 C VAL A 9 3.781 0.896 6.848 1.00 0.79 C ATOM 118 O VAL A 9 4.776 0.518 6.232 1.00 0.92 O ATOM 119 CB VAL A 9 3.939 -0.046 9.262 1.00 1.03 C ATOM 120 CG1 VAL A 9 4.842 1.166 9.481 1.00 1.13 C ATOM 121 CG2 VAL A 9 2.943 -0.109 10.429 1.00 1.14 C ATOM 0 H VAL A 9 3.805 -1.968 7.653 1.00 0.82 H new ATOM 0 HA VAL A 9 2.195 0.417 8.206 1.00 0.83 H new ATOM 0 HB VAL A 9 4.572 -0.932 9.218 1.00 1.03 H new ATOM 0 HG11 VAL A 9 5.357 1.068 10.437 1.00 1.13 H new ATOM 0 HG12 VAL A 9 5.576 1.223 8.677 1.00 1.13 H new ATOM 0 HG13 VAL A 9 4.238 2.074 9.485 1.00 1.13 H new ATOM 0 HG21 VAL A 9 3.489 -0.142 11.372 1.00 1.14 H new ATOM 0 HG22 VAL A 9 2.304 0.774 10.410 1.00 1.14 H new ATOM 0 HG23 VAL A 9 2.328 -1.004 10.334 1.00 1.14 H new ATOM 131 N VAL A 10 3.158 2.043 6.567 1.00 0.71 N ATOM 132 CA VAL A 10 3.523 2.978 5.526 1.00 0.68 C ATOM 133 C VAL A 10 3.888 4.290 6.214 1.00 0.64 C ATOM 134 O VAL A 10 3.020 5.030 6.673 1.00 0.87 O ATOM 135 CB VAL A 10 2.358 3.107 4.538 1.00 0.72 C ATOM 136 CG1 VAL A 10 2.674 4.176 3.496 1.00 1.55 C ATOM 137 CG2 VAL A 10 2.138 1.768 3.824 1.00 1.96 C ATOM 0 H VAL A 10 2.342 2.352 7.095 1.00 0.71 H new ATOM 0 HA VAL A 10 4.382 2.648 4.941 1.00 0.68 H new ATOM 0 HB VAL A 10 1.460 3.387 5.088 1.00 0.72 H new ATOM 0 HG11 VAL A 10 1.841 4.261 2.798 1.00 1.55 H new ATOM 0 HG12 VAL A 10 2.830 5.133 3.993 1.00 1.55 H new ATOM 0 HG13 VAL A 10 3.577 3.898 2.952 1.00 1.55 H new ATOM 0 HG21 VAL A 10 1.309 1.862 3.122 1.00 1.96 H new ATOM 0 HG22 VAL A 10 3.043 1.491 3.283 1.00 1.96 H new ATOM 0 HG23 VAL A 10 1.905 0.998 4.559 1.00 1.96 H new ATOM 147 N ARG A 11 5.190 4.541 6.310 1.00 0.82 N ATOM 148 CA ARG A 11 5.787 5.637 7.047 1.00 0.91 C ATOM 149 C ARG A 11 6.050 6.784 6.066 1.00 0.87 C ATOM 150 O ARG A 11 6.534 6.553 4.956 1.00 1.15 O ATOM 151 CB ARG A 11 7.082 5.121 7.699 1.00 1.05 C ATOM 152 CG ARG A 11 6.828 4.013 8.738 1.00 1.77 C ATOM 153 CD ARG A 11 8.051 3.089 8.853 1.00 2.48 C ATOM 154 NE ARG A 11 7.939 2.088 9.935 1.00 3.87 N ATOM 155 CZ ARG A 11 8.535 0.875 9.940 1.00 5.40 C ATOM 156 NH1 ARG A 11 9.411 0.553 8.984 1.00 5.90 N ATOM 157 NH2 ARG A 11 8.229 -0.022 10.893 1.00 6.87 N ATOM 0 H ARG A 11 5.887 3.954 5.852 1.00 0.82 H new ATOM 0 HA ARG A 11 5.133 6.010 7.835 1.00 0.91 H new ATOM 0 HB2 ARG A 11 7.747 4.740 6.924 1.00 1.05 H new ATOM 0 HB3 ARG A 11 7.597 5.952 8.180 1.00 1.05 H new ATOM 0 HG2 ARG A 11 6.610 4.460 9.708 1.00 1.77 H new ATOM 0 HG3 ARG A 11 5.952 3.432 8.451 1.00 1.77 H new ATOM 0 HD2 ARG A 11 8.195 2.571 7.905 1.00 2.48 H new ATOM 0 HD3 ARG A 11 8.940 3.697 9.023 1.00 2.48 H new ATOM 0 HE ARG A 11 7.366 2.332 10.743 1.00 3.87 H new ATOM 0 HH11 ARG A 11 9.632 1.223 8.248 1.00 5.90 H new ATOM 0 HH12 ARG A 11 9.859 -0.363 8.991 1.00 5.90 H new ATOM 0 HH21 ARG A 11 7.546 0.212 11.614 1.00 6.87 H new ATOM 0 HH22 ARG A 11 8.680 -0.937 10.896 1.00 6.87 H new ATOM 171 N GLY A 12 5.697 8.012 6.460 1.00 0.94 N ATOM 172 CA GLY A 12 5.880 9.219 5.657 1.00 0.95 C ATOM 173 C GLY A 12 4.558 9.758 5.101 1.00 0.82 C ATOM 174 O GLY A 12 4.523 10.857 4.550 1.00 1.06 O ATOM 0 H GLY A 12 5.267 8.195 7.367 1.00 0.94 H new ATOM 0 HA2 GLY A 12 6.355 9.988 6.266 1.00 0.95 H new ATOM 0 HA3 GLY A 12 6.557 9.003 4.831 1.00 0.95 H new ATOM 178 N MET A 13 3.469 8.996 5.235 1.00 0.95 N ATOM 179 CA MET A 13 2.134 9.327 4.790 1.00 1.00 C ATOM 180 C MET A 13 1.560 10.456 5.659 1.00 0.91 C ATOM 181 O MET A 13 0.672 10.249 6.481 1.00 1.27 O ATOM 182 CB MET A 13 1.362 8.008 4.898 1.00 1.34 C ATOM 183 CG MET A 13 -0.061 8.108 4.380 1.00 1.44 C ATOM 184 SD MET A 13 -0.925 6.524 4.220 1.00 1.77 S ATOM 185 CE MET A 13 -0.639 5.839 5.860 1.00 1.31 C ATOM 0 H MET A 13 3.510 8.081 5.684 1.00 0.95 H new ATOM 0 HA MET A 13 2.084 9.710 3.771 1.00 1.00 H new ATOM 0 HB2 MET A 13 1.892 7.237 4.340 1.00 1.34 H new ATOM 0 HB3 MET A 13 1.342 7.690 5.940 1.00 1.34 H new ATOM 0 HG2 MET A 13 -0.632 8.751 5.050 1.00 1.44 H new ATOM 0 HG3 MET A 13 -0.044 8.597 3.406 1.00 1.44 H new ATOM 0 HE1 MET A 13 -1.384 5.071 6.069 1.00 1.31 H new ATOM 0 HE2 MET A 13 0.357 5.399 5.902 1.00 1.31 H new ATOM 0 HE3 MET A 13 -0.717 6.632 6.604 1.00 1.31 H new ATOM 195 N THR A 14 2.112 11.659 5.507 1.00 0.76 N ATOM 196 CA THR A 14 2.003 12.700 6.523 1.00 0.81 C ATOM 197 C THR A 14 0.670 13.463 6.540 1.00 0.72 C ATOM 198 O THR A 14 0.504 14.319 7.410 1.00 0.99 O ATOM 199 CB THR A 14 3.219 13.638 6.436 1.00 1.02 C ATOM 200 OG1 THR A 14 3.250 14.502 7.555 1.00 1.63 O ATOM 201 CG2 THR A 14 3.243 14.476 5.155 1.00 0.98 C ATOM 0 H THR A 14 2.643 11.936 4.682 1.00 0.76 H new ATOM 0 HA THR A 14 2.006 12.190 7.486 1.00 0.81 H new ATOM 0 HB THR A 14 4.100 12.996 6.423 1.00 1.02 H new ATOM 0 HG1 THR A 14 2.334 14.726 7.821 1.00 1.63 H new ATOM 0 HG21 THR A 14 4.125 15.116 5.155 1.00 0.98 H new ATOM 0 HG22 THR A 14 3.274 13.815 4.289 1.00 0.98 H new ATOM 0 HG23 THR A 14 2.346 15.094 5.108 1.00 0.98 H new ATOM 209 N CYS A 15 -0.271 13.189 5.628 1.00 0.64 N ATOM 210 CA CYS A 15 -1.565 13.857 5.608 1.00 0.61 C ATOM 211 C CYS A 15 -2.590 13.036 4.827 1.00 0.57 C ATOM 212 O CYS A 15 -2.232 12.135 4.064 1.00 0.58 O ATOM 213 CB CYS A 15 -1.443 15.295 5.063 1.00 0.77 C ATOM 214 SG CYS A 15 -0.094 15.662 3.904 1.00 1.22 S ATOM 0 H CYS A 15 -0.151 12.498 4.887 1.00 0.64 H new ATOM 0 HA CYS A 15 -1.923 13.934 6.635 1.00 0.61 H new ATOM 0 HB2 CYS A 15 -2.383 15.545 4.570 1.00 0.77 H new ATOM 0 HB3 CYS A 15 -1.342 15.967 5.915 1.00 0.77 H new ATOM 0 HG CYS A 15 -0.151 16.913 3.553 1.00 1.22 H new ATOM 219 N ALA A 16 -3.873 13.377 5.009 1.00 0.58 N ATOM 220 CA ALA A 16 -4.990 12.809 4.260 1.00 0.60 C ATOM 221 C ALA A 16 -4.712 12.879 2.758 1.00 0.56 C ATOM 222 O ALA A 16 -4.998 11.945 2.011 1.00 0.57 O ATOM 223 CB ALA A 16 -6.278 13.567 4.590 1.00 0.70 C ATOM 0 H ALA A 16 -4.164 14.071 5.697 1.00 0.58 H new ATOM 0 HA ALA A 16 -5.108 11.764 4.545 1.00 0.60 H new ATOM 0 HB1 ALA A 16 -7.107 13.138 4.028 1.00 0.70 H new ATOM 0 HB2 ALA A 16 -6.484 13.487 5.657 1.00 0.70 H new ATOM 0 HB3 ALA A 16 -6.162 14.617 4.320 1.00 0.70 H new ATOM 229 N SER A 17 -4.124 13.999 2.332 1.00 0.54 N ATOM 230 CA SER A 17 -3.608 14.213 0.999 1.00 0.53 C ATOM 231 C SER A 17 -2.768 13.025 0.520 1.00 0.58 C ATOM 232 O SER A 17 -2.897 12.612 -0.627 1.00 0.75 O ATOM 233 CB SER A 17 -2.793 15.508 1.024 1.00 0.70 C ATOM 234 OG SER A 17 -3.521 16.483 1.752 1.00 1.59 O ATOM 0 H SER A 17 -3.994 14.808 2.939 1.00 0.54 H new ATOM 0 HA SER A 17 -4.430 14.301 0.288 1.00 0.53 H new ATOM 0 HB2 SER A 17 -1.822 15.336 1.488 1.00 0.70 H new ATOM 0 HB3 SER A 17 -2.604 15.856 0.009 1.00 0.70 H new ATOM 0 HG SER A 17 -3.146 16.565 2.654 1.00 1.59 H new ATOM 240 N CYS A 18 -1.893 12.486 1.373 1.00 0.54 N ATOM 241 CA CYS A 18 -1.151 11.278 1.061 1.00 0.56 C ATOM 242 C CYS A 18 -2.011 10.021 1.095 1.00 0.54 C ATOM 243 O CYS A 18 -1.959 9.252 0.140 1.00 0.57 O ATOM 244 CB CYS A 18 0.162 11.215 1.832 1.00 0.63 C ATOM 245 SG CYS A 18 1.240 12.592 1.341 1.00 1.08 S ATOM 0 H CYS A 18 -1.685 12.877 2.292 1.00 0.54 H new ATOM 0 HA CYS A 18 -0.850 11.326 0.015 1.00 0.56 H new ATOM 0 HB2 CYS A 18 -0.034 11.260 2.903 1.00 0.63 H new ATOM 0 HB3 CYS A 18 0.661 10.265 1.639 1.00 0.63 H new ATOM 0 HG CYS A 18 2.378 12.124 0.921 1.00 1.08 H new ATOM 250 N VAL A 19 -2.808 9.822 2.147 1.00 0.56 N ATOM 251 CA VAL A 19 -3.761 8.715 2.241 1.00 0.61 C ATOM 252 C VAL A 19 -4.484 8.506 0.899 1.00 0.54 C ATOM 253 O VAL A 19 -4.300 7.479 0.241 1.00 0.54 O ATOM 254 CB VAL A 19 -4.740 8.963 3.415 1.00 0.72 C ATOM 255 CG1 VAL A 19 -5.955 8.023 3.481 1.00 0.95 C ATOM 256 CG2 VAL A 19 -4.009 8.927 4.765 1.00 0.86 C ATOM 0 H VAL A 19 -2.810 10.431 2.965 1.00 0.56 H new ATOM 0 HA VAL A 19 -3.226 7.789 2.453 1.00 0.61 H new ATOM 0 HB VAL A 19 -5.138 9.957 3.210 1.00 0.72 H new ATOM 0 HG11 VAL A 19 -6.572 8.286 4.340 1.00 0.95 H new ATOM 0 HG12 VAL A 19 -6.542 8.123 2.568 1.00 0.95 H new ATOM 0 HG13 VAL A 19 -5.613 6.993 3.582 1.00 0.95 H new ATOM 0 HG21 VAL A 19 -4.722 9.104 5.570 1.00 0.86 H new ATOM 0 HG22 VAL A 19 -3.544 7.951 4.901 1.00 0.86 H new ATOM 0 HG23 VAL A 19 -3.241 9.700 4.784 1.00 0.86 H new ATOM 266 N HIS A 20 -5.304 9.477 0.479 1.00 0.52 N ATOM 267 CA HIS A 20 -6.132 9.269 -0.706 1.00 0.56 C ATOM 268 C HIS A 20 -5.308 9.253 -2.001 1.00 0.50 C ATOM 269 O HIS A 20 -5.674 8.554 -2.942 1.00 0.53 O ATOM 270 CB HIS A 20 -7.360 10.193 -0.742 1.00 0.67 C ATOM 271 CG HIS A 20 -7.149 11.574 -1.305 1.00 0.61 C ATOM 272 ND1 HIS A 20 -8.014 12.244 -2.138 1.00 0.71 N ATOM 273 CD2 HIS A 20 -6.110 12.416 -1.032 1.00 0.67 C ATOM 274 CE1 HIS A 20 -7.494 13.462 -2.365 1.00 0.72 C ATOM 275 NE2 HIS A 20 -6.331 13.616 -1.712 1.00 0.79 N ATOM 0 H HIS A 20 -5.409 10.387 0.929 1.00 0.52 H new ATOM 0 HA HIS A 20 -6.550 8.265 -0.630 1.00 0.56 H new ATOM 0 HB2 HIS A 20 -8.138 9.702 -1.326 1.00 0.67 H new ATOM 0 HB3 HIS A 20 -7.740 10.294 0.275 1.00 0.67 H new ATOM 0 HD2 HIS A 20 -5.263 12.193 -0.400 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -7.950 14.216 -2.989 1.00 0.72 H new ATOM 0 HE2 HIS A 20 -5.731 14.441 -1.712 1.00 0.79 H new ATOM 283 N LYS A 21 -4.195 9.997 -2.065 1.00 0.48 N ATOM 284 CA LYS A 21 -3.271 9.953 -3.198 1.00 0.47 C ATOM 285 C LYS A 21 -2.763 8.523 -3.385 1.00 0.45 C ATOM 286 O LYS A 21 -2.885 7.971 -4.478 1.00 0.52 O ATOM 287 CB LYS A 21 -2.133 10.955 -2.955 1.00 0.50 C ATOM 288 CG LYS A 21 -0.911 10.880 -3.890 1.00 0.59 C ATOM 289 CD LYS A 21 0.113 12.002 -3.604 1.00 1.02 C ATOM 290 CE LYS A 21 0.356 12.129 -2.090 1.00 2.64 C ATOM 291 NZ LYS A 21 1.521 12.940 -1.678 1.00 3.40 N ATOM 0 H LYS A 21 -3.913 10.646 -1.330 1.00 0.48 H new ATOM 0 HA LYS A 21 -3.774 10.241 -4.121 1.00 0.47 H new ATOM 0 HB2 LYS A 21 -2.549 11.960 -3.024 1.00 0.50 H new ATOM 0 HB3 LYS A 21 -1.782 10.825 -1.931 1.00 0.50 H new ATOM 0 HG2 LYS A 21 -0.427 9.910 -3.775 1.00 0.59 H new ATOM 0 HG3 LYS A 21 -1.243 10.949 -4.926 1.00 0.59 H new ATOM 0 HD2 LYS A 21 1.052 11.785 -4.113 1.00 1.02 H new ATOM 0 HD3 LYS A 21 -0.254 12.948 -4.001 1.00 1.02 H new ATOM 0 HE2 LYS A 21 -0.537 12.558 -1.635 1.00 2.64 H new ATOM 0 HE3 LYS A 21 0.474 11.127 -1.677 1.00 2.64 H new ATOM 0 HZ1 LYS A 21 1.696 12.805 -0.662 1.00 3.40 H new ATOM 0 HZ2 LYS A 21 2.359 12.642 -2.217 1.00 3.40 H new ATOM 0 HZ3 LYS A 21 1.328 13.945 -1.865 1.00 3.40 H new ATOM 305 N ILE A 22 -2.202 7.924 -2.328 1.00 0.41 N ATOM 306 CA ILE A 22 -1.760 6.536 -2.340 1.00 0.41 C ATOM 307 C ILE A 22 -2.901 5.671 -2.863 1.00 0.45 C ATOM 308 O ILE A 22 -2.745 5.039 -3.905 1.00 0.50 O ATOM 309 CB ILE A 22 -1.289 6.076 -0.944 1.00 0.43 C ATOM 310 CG1 ILE A 22 -0.008 6.816 -0.526 1.00 0.42 C ATOM 311 CG2 ILE A 22 -1.011 4.562 -0.926 1.00 0.51 C ATOM 312 CD1 ILE A 22 0.198 6.771 0.992 1.00 0.69 C ATOM 0 H ILE A 22 -2.044 8.397 -1.438 1.00 0.41 H new ATOM 0 HA ILE A 22 -0.897 6.435 -2.998 1.00 0.41 H new ATOM 0 HB ILE A 22 -2.090 6.307 -0.242 1.00 0.43 H new ATOM 0 HG12 ILE A 22 0.851 6.367 -1.024 1.00 0.42 H new ATOM 0 HG13 ILE A 22 -0.062 7.853 -0.856 1.00 0.42 H new ATOM 0 HG21 ILE A 22 -0.681 4.265 0.069 1.00 0.51 H new ATOM 0 HG22 ILE A 22 -1.922 4.022 -1.182 1.00 0.51 H new ATOM 0 HG23 ILE A 22 -0.233 4.326 -1.652 1.00 0.51 H new ATOM 0 HD11 ILE A 22 1.113 7.304 1.251 1.00 0.69 H new ATOM 0 HD12 ILE A 22 -0.650 7.243 1.488 1.00 0.69 H new ATOM 0 HD13 ILE A 22 0.278 5.734 1.318 1.00 0.69 H new ATOM 324 N GLU A 23 -4.042 5.653 -2.169 1.00 0.49 N ATOM 325 CA GLU A 23 -5.132 4.753 -2.518 1.00 0.57 C ATOM 326 C GLU A 23 -5.563 4.923 -3.974 1.00 0.56 C ATOM 327 O GLU A 23 -5.563 3.969 -4.752 1.00 0.64 O ATOM 328 CB GLU A 23 -6.312 4.957 -1.562 1.00 0.68 C ATOM 329 CG GLU A 23 -5.945 4.466 -0.159 1.00 1.52 C ATOM 330 CD GLU A 23 -7.084 4.623 0.837 1.00 2.29 C ATOM 331 OE1 GLU A 23 -7.891 5.559 0.650 1.00 2.96 O ATOM 332 OE2 GLU A 23 -7.106 3.805 1.782 1.00 3.24 O ATOM 0 H GLU A 23 -4.230 6.252 -1.365 1.00 0.49 H new ATOM 0 HA GLU A 23 -4.772 3.730 -2.412 1.00 0.57 H new ATOM 0 HB2 GLU A 23 -6.583 6.012 -1.527 1.00 0.68 H new ATOM 0 HB3 GLU A 23 -7.184 4.416 -1.928 1.00 0.68 H new ATOM 0 HG2 GLU A 23 -5.656 3.416 -0.210 1.00 1.52 H new ATOM 0 HG3 GLU A 23 -5.077 5.019 0.199 1.00 1.52 H new ATOM 339 N SER A 24 -5.920 6.154 -4.341 1.00 0.50 N ATOM 340 CA SER A 24 -6.364 6.507 -5.679 1.00 0.54 C ATOM 341 C SER A 24 -5.332 6.064 -6.719 1.00 0.57 C ATOM 342 O SER A 24 -5.690 5.494 -7.750 1.00 0.67 O ATOM 343 CB SER A 24 -6.629 8.019 -5.740 1.00 0.55 C ATOM 344 OG SER A 24 -7.191 8.382 -6.985 1.00 0.79 O ATOM 0 H SER A 24 -5.906 6.946 -3.699 1.00 0.50 H new ATOM 0 HA SER A 24 -7.293 5.987 -5.911 1.00 0.54 H new ATOM 0 HB2 SER A 24 -7.304 8.307 -4.934 1.00 0.55 H new ATOM 0 HB3 SER A 24 -5.697 8.562 -5.585 1.00 0.55 H new ATOM 0 HG SER A 24 -7.353 9.348 -7.001 1.00 0.79 H new ATOM 350 N SER A 25 -4.044 6.298 -6.444 1.00 0.53 N ATOM 351 CA SER A 25 -2.991 5.987 -7.391 1.00 0.58 C ATOM 352 C SER A 25 -2.904 4.474 -7.524 1.00 0.63 C ATOM 353 O SER A 25 -3.010 3.934 -8.617 1.00 0.79 O ATOM 354 CB SER A 25 -1.665 6.613 -6.935 1.00 0.60 C ATOM 355 OG SER A 25 -0.669 6.460 -7.928 1.00 1.22 O ATOM 0 H SER A 25 -3.715 6.703 -5.568 1.00 0.53 H new ATOM 0 HA SER A 25 -3.212 6.410 -8.371 1.00 0.58 H new ATOM 0 HB2 SER A 25 -1.812 7.672 -6.721 1.00 0.60 H new ATOM 0 HB3 SER A 25 -1.336 6.143 -6.008 1.00 0.60 H new ATOM 0 HG SER A 25 -0.137 7.281 -7.987 1.00 1.22 H new ATOM 361 N LEU A 26 -2.727 3.777 -6.408 1.00 0.63 N ATOM 362 CA LEU A 26 -2.541 2.339 -6.407 1.00 0.77 C ATOM 363 C LEU A 26 -3.709 1.615 -7.064 1.00 0.74 C ATOM 364 O LEU A 26 -3.496 0.707 -7.863 1.00 0.78 O ATOM 365 CB LEU A 26 -2.327 1.852 -4.975 1.00 0.90 C ATOM 366 CG LEU A 26 -0.848 1.654 -4.618 1.00 1.18 C ATOM 367 CD1 LEU A 26 -0.151 0.586 -5.466 1.00 2.72 C ATOM 368 CD2 LEU A 26 -0.061 2.968 -4.689 1.00 2.71 C ATOM 0 H LEU A 26 -2.709 4.198 -5.479 1.00 0.63 H new ATOM 0 HA LEU A 26 -1.656 2.107 -6.999 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -2.768 2.571 -4.284 1.00 0.90 H new ATOM 0 HB3 LEU A 26 -2.857 0.910 -4.836 1.00 0.90 H new ATOM 0 HG LEU A 26 -0.853 1.297 -3.588 1.00 1.18 H new ATOM 0 HD11 LEU A 26 0.891 0.500 -5.158 1.00 2.72 H new ATOM 0 HD12 LEU A 26 -0.651 -0.373 -5.326 1.00 2.72 H new ATOM 0 HD13 LEU A 26 -0.197 0.869 -6.518 1.00 2.72 H new ATOM 0 HD21 LEU A 26 0.981 2.782 -4.429 1.00 2.71 H new ATOM 0 HD22 LEU A 26 -0.116 3.371 -5.700 1.00 2.71 H new ATOM 0 HD23 LEU A 26 -0.487 3.686 -3.988 1.00 2.71 H new ATOM 380 N THR A 27 -4.941 2.029 -6.761 1.00 0.72 N ATOM 381 CA THR A 27 -6.141 1.437 -7.345 1.00 0.76 C ATOM 382 C THR A 27 -6.136 1.507 -8.881 1.00 0.79 C ATOM 383 O THR A 27 -6.864 0.761 -9.532 1.00 1.14 O ATOM 384 CB THR A 27 -7.385 2.075 -6.707 1.00 0.86 C ATOM 385 OG1 THR A 27 -7.307 1.927 -5.303 1.00 1.79 O ATOM 386 CG2 THR A 27 -8.693 1.416 -7.156 1.00 1.91 C ATOM 0 H THR A 27 -5.132 2.785 -6.103 1.00 0.72 H new ATOM 0 HA THR A 27 -6.160 0.371 -7.119 1.00 0.76 H new ATOM 0 HB THR A 27 -7.397 3.119 -7.020 1.00 0.86 H new ATOM 0 HG1 THR A 27 -6.726 2.624 -4.932 1.00 1.79 H new ATOM 0 HG21 THR A 27 -9.535 1.911 -6.671 1.00 1.91 H new ATOM 0 HG22 THR A 27 -8.793 1.506 -8.238 1.00 1.91 H new ATOM 0 HG23 THR A 27 -8.683 0.362 -6.879 1.00 1.91 H new ATOM 394 N LYS A 28 -5.291 2.353 -9.487 1.00 0.83 N ATOM 395 CA LYS A 28 -5.046 2.314 -10.920 1.00 0.86 C ATOM 396 C LYS A 28 -4.662 0.903 -11.378 1.00 0.72 C ATOM 397 O LYS A 28 -5.075 0.476 -12.458 1.00 0.83 O ATOM 398 CB LYS A 28 -3.921 3.300 -11.254 1.00 1.11 C ATOM 399 CG LYS A 28 -3.538 3.445 -12.728 1.00 2.29 C ATOM 400 CD LYS A 28 -4.600 4.154 -13.587 1.00 2.83 C ATOM 401 CE LYS A 28 -5.544 3.172 -14.302 1.00 4.56 C ATOM 402 NZ LYS A 28 -6.568 3.873 -15.103 1.00 6.04 N ATOM 0 H LYS A 28 -4.766 3.075 -8.994 1.00 0.83 H new ATOM 0 HA LYS A 28 -5.959 2.595 -11.444 1.00 0.86 H new ATOM 0 HB2 LYS A 28 -4.210 4.283 -10.881 1.00 1.11 H new ATOM 0 HB3 LYS A 28 -3.031 2.998 -10.701 1.00 1.11 H new ATOM 0 HG2 LYS A 28 -2.602 3.999 -12.796 1.00 2.29 H new ATOM 0 HG3 LYS A 28 -3.353 2.454 -13.143 1.00 2.29 H new ATOM 0 HD2 LYS A 28 -5.187 4.819 -12.954 1.00 2.83 H new ATOM 0 HD3 LYS A 28 -4.102 4.778 -14.330 1.00 2.83 H new ATOM 0 HE2 LYS A 28 -4.962 2.517 -14.950 1.00 4.56 H new ATOM 0 HE3 LYS A 28 -6.033 2.537 -13.564 1.00 4.56 H new ATOM 0 HZ1 LYS A 28 -7.183 3.175 -15.568 1.00 6.04 H new ATOM 0 HZ2 LYS A 28 -7.140 4.479 -14.481 1.00 6.04 H new ATOM 0 HZ3 LYS A 28 -6.103 4.459 -15.825 1.00 6.04 H new ATOM 416 N HIS A 29 -3.821 0.201 -10.610 1.00 0.67 N ATOM 417 CA HIS A 29 -3.300 -1.090 -11.031 1.00 0.73 C ATOM 418 C HIS A 29 -4.285 -2.178 -10.614 1.00 0.82 C ATOM 419 O HIS A 29 -4.382 -2.499 -9.435 1.00 1.68 O ATOM 420 CB HIS A 29 -1.904 -1.331 -10.439 1.00 0.99 C ATOM 421 CG HIS A 29 -1.060 -0.087 -10.337 1.00 1.11 C ATOM 422 ND1 HIS A 29 -0.765 0.798 -11.349 1.00 2.21 N ATOM 423 CD2 HIS A 29 -0.649 0.478 -9.163 1.00 1.02 C ATOM 424 CE1 HIS A 29 -0.177 1.869 -10.785 1.00 2.21 C ATOM 425 NE2 HIS A 29 -0.091 1.723 -9.455 1.00 1.26 N ATOM 0 H HIS A 29 -3.491 0.511 -9.696 1.00 0.67 H new ATOM 0 HA HIS A 29 -3.192 -1.110 -12.115 1.00 0.73 H new ATOM 0 HB2 HIS A 29 -2.012 -1.767 -9.446 1.00 0.99 H new ATOM 0 HB3 HIS A 29 -1.381 -2.063 -11.054 1.00 0.99 H new ATOM 0 HD1 HIS A 29 -0.957 0.666 -12.342 1.00 2.21 H new ATOM 0 HD2 HIS A 29 -0.740 0.038 -8.181 1.00 1.02 H new ATOM 0 HE1 HIS A 29 0.178 2.731 -11.331 1.00 2.21 H new ATOM 433 N ARG A 30 -4.989 -2.788 -11.574 1.00 0.75 N ATOM 434 CA ARG A 30 -5.987 -3.822 -11.292 1.00 0.86 C ATOM 435 C ARG A 30 -5.455 -4.967 -10.423 1.00 0.89 C ATOM 436 O ARG A 30 -6.241 -5.694 -9.823 1.00 1.72 O ATOM 437 CB ARG A 30 -6.522 -4.426 -12.595 1.00 1.23 C ATOM 438 CG ARG A 30 -7.154 -3.409 -13.554 1.00 1.81 C ATOM 439 CD ARG A 30 -7.850 -4.112 -14.729 1.00 2.62 C ATOM 440 NE ARG A 30 -6.920 -4.944 -15.520 1.00 3.80 N ATOM 441 CZ ARG A 30 -6.712 -6.268 -15.392 1.00 5.15 C ATOM 442 NH1 ARG A 30 -7.357 -6.973 -14.455 1.00 5.45 N ATOM 443 NH2 ARG A 30 -5.843 -6.886 -16.201 1.00 6.89 N ATOM 0 H ARG A 30 -4.882 -2.578 -12.566 1.00 0.75 H new ATOM 0 HA ARG A 30 -6.778 -3.316 -10.738 1.00 0.86 H new ATOM 0 HB2 ARG A 30 -5.705 -4.932 -13.109 1.00 1.23 H new ATOM 0 HB3 ARG A 30 -7.264 -5.186 -12.351 1.00 1.23 H new ATOM 0 HG2 ARG A 30 -7.876 -2.796 -13.014 1.00 1.81 H new ATOM 0 HG3 ARG A 30 -6.385 -2.736 -13.933 1.00 1.81 H new ATOM 0 HD2 ARG A 30 -8.657 -4.737 -14.348 1.00 2.62 H new ATOM 0 HD3 ARG A 30 -8.305 -3.364 -15.378 1.00 2.62 H new ATOM 0 HE ARG A 30 -6.378 -4.465 -16.239 1.00 3.80 H new ATOM 0 HH11 ARG A 30 -8.014 -6.508 -13.829 1.00 5.45 H new ATOM 0 HH12 ARG A 30 -7.192 -7.976 -14.367 1.00 5.45 H new ATOM 0 HH21 ARG A 30 -5.341 -6.354 -16.912 1.00 6.89 H new ATOM 0 HH22 ARG A 30 -5.683 -7.889 -16.107 1.00 6.89 H new ATOM 457 N GLY A 31 -4.132 -5.162 -10.390 1.00 0.75 N ATOM 458 CA GLY A 31 -3.501 -6.118 -9.503 1.00 0.83 C ATOM 459 C GLY A 31 -3.932 -5.924 -8.048 1.00 0.69 C ATOM 460 O GLY A 31 -4.109 -6.908 -7.336 1.00 0.88 O ATOM 0 H GLY A 31 -3.476 -4.655 -10.984 1.00 0.75 H new ATOM 0 HA2 GLY A 31 -3.752 -7.129 -9.823 1.00 0.83 H new ATOM 0 HA3 GLY A 31 -2.418 -6.020 -9.576 1.00 0.83 H new ATOM 464 N ILE A 32 -4.120 -4.677 -7.601 1.00 0.82 N ATOM 465 CA ILE A 32 -4.723 -4.400 -6.312 1.00 0.74 C ATOM 466 C ILE A 32 -6.239 -4.323 -6.507 1.00 0.92 C ATOM 467 O ILE A 32 -6.715 -3.632 -7.406 1.00 1.36 O ATOM 468 CB ILE A 32 -4.045 -3.196 -5.626 1.00 0.91 C ATOM 469 CG1 ILE A 32 -4.850 -2.662 -4.430 1.00 2.35 C ATOM 470 CG2 ILE A 32 -3.616 -2.061 -6.560 1.00 1.79 C ATOM 471 CD1 ILE A 32 -5.844 -1.568 -4.836 1.00 2.52 C ATOM 0 H ILE A 32 -3.857 -3.843 -8.126 1.00 0.82 H new ATOM 0 HA ILE A 32 -4.553 -5.203 -5.594 1.00 0.74 H new ATOM 0 HB ILE A 32 -3.113 -3.617 -5.248 1.00 0.91 H new ATOM 0 HG12 ILE A 32 -5.391 -3.485 -3.963 1.00 2.35 H new ATOM 0 HG13 ILE A 32 -4.164 -2.266 -3.681 1.00 2.35 H new ATOM 0 HG21 ILE A 32 -3.151 -1.266 -5.977 1.00 1.79 H new ATOM 0 HG22 ILE A 32 -2.901 -2.441 -7.290 1.00 1.79 H new ATOM 0 HG23 ILE A 32 -4.490 -1.667 -7.079 1.00 1.79 H new ATOM 0 HD11 ILE A 32 -6.387 -1.225 -3.955 1.00 2.52 H new ATOM 0 HD12 ILE A 32 -5.303 -0.731 -5.278 1.00 2.52 H new ATOM 0 HD13 ILE A 32 -6.549 -1.969 -5.564 1.00 2.52 H new ATOM 483 N LEU A 33 -6.992 -5.060 -5.683 1.00 0.83 N ATOM 484 CA LEU A 33 -8.447 -5.061 -5.696 1.00 1.14 C ATOM 485 C LEU A 33 -8.944 -4.019 -4.696 1.00 1.07 C ATOM 486 O LEU A 33 -9.853 -3.255 -5.011 1.00 1.40 O ATOM 487 CB LEU A 33 -9.010 -6.449 -5.343 1.00 1.40 C ATOM 488 CG LEU A 33 -8.782 -7.571 -6.375 1.00 1.71 C ATOM 489 CD1 LEU A 33 -9.346 -7.225 -7.757 1.00 3.84 C ATOM 490 CD2 LEU A 33 -7.317 -7.993 -6.504 1.00 1.85 C ATOM 0 H LEU A 33 -6.594 -5.681 -4.979 1.00 0.83 H new ATOM 0 HA LEU A 33 -8.794 -4.815 -6.700 1.00 1.14 H new ATOM 0 HB2 LEU A 33 -8.571 -6.763 -4.396 1.00 1.40 H new ATOM 0 HB3 LEU A 33 -10.083 -6.350 -5.180 1.00 1.40 H new ATOM 0 HG LEU A 33 -9.336 -8.422 -5.978 1.00 1.71 H new ATOM 0 HD11 LEU A 33 -9.157 -8.050 -8.444 1.00 3.84 H new ATOM 0 HD12 LEU A 33 -10.420 -7.055 -7.680 1.00 3.84 H new ATOM 0 HD13 LEU A 33 -8.862 -6.323 -8.132 1.00 3.84 H new ATOM 0 HD21 LEU A 33 -7.231 -8.786 -7.247 1.00 1.85 H new ATOM 0 HD22 LEU A 33 -6.718 -7.137 -6.815 1.00 1.85 H new ATOM 0 HD23 LEU A 33 -6.957 -8.357 -5.542 1.00 1.85 H new ATOM 502 N TYR A 34 -8.356 -3.982 -3.494 1.00 0.77 N ATOM 503 CA TYR A 34 -8.678 -2.975 -2.492 1.00 0.71 C ATOM 504 C TYR A 34 -7.407 -2.562 -1.756 1.00 0.53 C ATOM 505 O TYR A 34 -6.519 -3.382 -1.526 1.00 0.54 O ATOM 506 CB TYR A 34 -9.745 -3.505 -1.522 1.00 0.92 C ATOM 507 CG TYR A 34 -10.233 -2.516 -0.476 1.00 0.86 C ATOM 508 CD1 TYR A 34 -10.667 -1.229 -0.850 1.00 2.07 C ATOM 509 CD2 TYR A 34 -10.242 -2.881 0.884 1.00 1.41 C ATOM 510 CE1 TYR A 34 -10.940 -0.265 0.136 1.00 2.07 C ATOM 511 CE2 TYR A 34 -10.573 -1.931 1.864 1.00 1.46 C ATOM 512 CZ TYR A 34 -10.813 -0.598 1.495 1.00 0.98 C ATOM 513 OH TYR A 34 -10.803 0.376 2.452 1.00 1.30 O ATOM 0 H TYR A 34 -7.646 -4.651 -3.195 1.00 0.77 H new ATOM 0 HA TYR A 34 -9.092 -2.094 -2.982 1.00 0.71 H new ATOM 0 HB2 TYR A 34 -10.602 -3.844 -2.104 1.00 0.92 H new ATOM 0 HB3 TYR A 34 -9.342 -4.379 -1.010 1.00 0.92 H new ATOM 0 HD1 TYR A 34 -10.790 -0.983 -1.894 1.00 2.07 H new ATOM 0 HD2 TYR A 34 -9.994 -3.892 1.173 1.00 1.41 H new ATOM 0 HE1 TYR A 34 -11.247 0.730 -0.151 1.00 2.07 H new ATOM 0 HE2 TYR A 34 -10.643 -2.226 2.901 1.00 1.46 H new ATOM 0 HH TYR A 34 -11.445 0.149 3.156 1.00 1.30 H new ATOM 523 N CYS A 35 -7.334 -1.277 -1.408 1.00 0.58 N ATOM 524 CA CYS A 35 -6.293 -0.661 -0.604 1.00 0.53 C ATOM 525 C CYS A 35 -6.996 0.160 0.472 1.00 0.63 C ATOM 526 O CYS A 35 -8.109 0.635 0.258 1.00 1.01 O ATOM 527 CB CYS A 35 -5.352 0.190 -1.461 1.00 0.68 C ATOM 528 SG CYS A 35 -6.269 1.471 -2.346 1.00 2.30 S ATOM 0 H CYS A 35 -8.043 -0.605 -1.699 1.00 0.58 H new ATOM 0 HA CYS A 35 -5.657 -1.417 -0.144 1.00 0.53 H new ATOM 0 HB2 CYS A 35 -4.594 0.651 -0.828 1.00 0.68 H new ATOM 0 HB3 CYS A 35 -4.828 -0.446 -2.174 1.00 0.68 H new ATOM 0 HG CYS A 35 -6.415 1.120 -3.589 1.00 2.30 H new ATOM 534 N SER A 36 -6.406 0.200 1.668 1.00 0.53 N ATOM 535 CA SER A 36 -7.061 0.679 2.872 1.00 0.55 C ATOM 536 C SER A 36 -5.982 1.227 3.803 1.00 0.51 C ATOM 537 O SER A 36 -5.479 0.507 4.680 1.00 0.74 O ATOM 538 CB SER A 36 -7.826 -0.498 3.490 1.00 0.94 C ATOM 539 OG SER A 36 -8.808 -0.061 4.406 1.00 1.55 O ATOM 0 H SER A 36 -5.445 -0.106 1.823 1.00 0.53 H new ATOM 0 HA SER A 36 -7.775 1.479 2.673 1.00 0.55 H new ATOM 0 HB2 SER A 36 -8.300 -1.079 2.699 1.00 0.94 H new ATOM 0 HB3 SER A 36 -7.125 -1.161 3.997 1.00 0.94 H new ATOM 0 HG SER A 36 -9.631 0.159 3.922 1.00 1.55 H new ATOM 545 N VAL A 37 -5.584 2.480 3.582 1.00 0.47 N ATOM 546 CA VAL A 37 -4.481 3.116 4.285 1.00 0.48 C ATOM 547 C VAL A 37 -4.993 4.055 5.375 1.00 0.55 C ATOM 548 O VAL A 37 -6.107 4.565 5.290 1.00 0.71 O ATOM 549 CB VAL A 37 -3.497 3.793 3.306 1.00 0.66 C ATOM 550 CG1 VAL A 37 -3.293 3.008 2.010 1.00 1.48 C ATOM 551 CG2 VAL A 37 -3.942 5.192 2.902 1.00 1.60 C ATOM 0 H VAL A 37 -6.030 3.089 2.896 1.00 0.47 H new ATOM 0 HA VAL A 37 -3.907 2.341 4.793 1.00 0.48 H new ATOM 0 HB VAL A 37 -2.564 3.832 3.868 1.00 0.66 H new ATOM 0 HG11 VAL A 37 -2.590 3.540 1.369 1.00 1.48 H new ATOM 0 HG12 VAL A 37 -2.896 2.020 2.242 1.00 1.48 H new ATOM 0 HG13 VAL A 37 -4.247 2.903 1.494 1.00 1.48 H new ATOM 0 HG21 VAL A 37 -3.214 5.621 2.213 1.00 1.60 H new ATOM 0 HG22 VAL A 37 -4.915 5.137 2.414 1.00 1.60 H new ATOM 0 HG23 VAL A 37 -4.016 5.821 3.789 1.00 1.60 H new ATOM 561 N ALA A 38 -4.192 4.279 6.422 1.00 0.57 N ATOM 562 CA ALA A 38 -4.522 5.263 7.445 1.00 0.71 C ATOM 563 C ALA A 38 -3.246 5.737 8.123 1.00 0.68 C ATOM 564 O ALA A 38 -2.410 4.906 8.472 1.00 0.73 O ATOM 565 CB ALA A 38 -5.460 4.652 8.487 1.00 0.93 C ATOM 0 H ALA A 38 -3.311 3.789 6.579 1.00 0.57 H new ATOM 0 HA ALA A 38 -5.023 6.109 6.974 1.00 0.71 H new ATOM 0 HB1 ALA A 38 -5.698 5.399 9.245 1.00 0.93 H new ATOM 0 HB2 ALA A 38 -6.379 4.323 8.001 1.00 0.93 H new ATOM 0 HB3 ALA A 38 -4.973 3.799 8.959 1.00 0.93 H new ATOM 571 N LEU A 39 -3.125 7.052 8.341 1.00 0.73 N ATOM 572 CA LEU A 39 -2.018 7.672 9.070 1.00 0.72 C ATOM 573 C LEU A 39 -2.197 7.600 10.589 1.00 0.78 C ATOM 574 O LEU A 39 -1.258 7.852 11.338 1.00 1.00 O ATOM 575 CB LEU A 39 -1.747 9.092 8.548 1.00 0.93 C ATOM 576 CG LEU A 39 -2.919 10.091 8.570 1.00 0.70 C ATOM 577 CD1 LEU A 39 -3.326 10.524 9.983 1.00 1.35 C ATOM 578 CD2 LEU A 39 -2.488 11.335 7.787 1.00 1.08 C ATOM 0 H LEU A 39 -3.812 7.728 8.007 1.00 0.73 H new ATOM 0 HA LEU A 39 -1.119 7.088 8.871 1.00 0.72 H new ATOM 0 HB2 LEU A 39 -0.932 9.516 9.134 1.00 0.93 H new ATOM 0 HB3 LEU A 39 -1.393 9.011 7.520 1.00 0.93 H new ATOM 0 HG LEU A 39 -3.783 9.595 8.129 1.00 0.70 H new ATOM 0 HD11 LEU A 39 -4.157 11.227 9.923 1.00 1.35 H new ATOM 0 HD12 LEU A 39 -3.632 9.650 10.558 1.00 1.35 H new ATOM 0 HD13 LEU A 39 -2.479 11.003 10.475 1.00 1.35 H new ATOM 0 HD21 LEU A 39 -3.299 12.063 7.785 1.00 1.08 H new ATOM 0 HD22 LEU A 39 -1.608 11.774 8.257 1.00 1.08 H new ATOM 0 HD23 LEU A 39 -2.249 11.055 6.761 1.00 1.08 H new ATOM 590 N ALA A 40 -3.392 7.220 11.057 1.00 0.82 N ATOM 591 CA ALA A 40 -3.627 6.982 12.475 1.00 0.96 C ATOM 592 C ALA A 40 -2.715 5.850 12.952 1.00 0.92 C ATOM 593 O ALA A 40 -2.015 5.982 13.952 1.00 1.14 O ATOM 594 CB ALA A 40 -5.103 6.645 12.706 1.00 1.13 C ATOM 0 H ALA A 40 -4.211 7.072 10.467 1.00 0.82 H new ATOM 0 HA ALA A 40 -3.395 7.879 13.050 1.00 0.96 H new ATOM 0 HB1 ALA A 40 -5.274 6.468 13.768 1.00 1.13 H new ATOM 0 HB2 ALA A 40 -5.723 7.477 12.373 1.00 1.13 H new ATOM 0 HB3 ALA A 40 -5.364 5.750 12.142 1.00 1.13 H new ATOM 600 N THR A 41 -2.717 4.742 12.208 1.00 0.79 N ATOM 601 CA THR A 41 -1.789 3.642 12.417 1.00 0.79 C ATOM 602 C THR A 41 -0.487 3.915 11.653 1.00 0.92 C ATOM 603 O THR A 41 0.592 3.693 12.198 1.00 1.66 O ATOM 604 CB THR A 41 -2.454 2.299 12.081 1.00 0.86 C ATOM 605 OG1 THR A 41 -1.502 1.262 11.993 1.00 2.59 O ATOM 606 CG2 THR A 41 -3.258 2.330 10.787 1.00 2.45 C ATOM 0 H THR A 41 -3.370 4.587 11.439 1.00 0.79 H new ATOM 0 HA THR A 41 -1.517 3.569 13.470 1.00 0.79 H new ATOM 0 HB THR A 41 -3.143 2.109 12.904 1.00 0.86 H new ATOM 0 HG1 THR A 41 -1.955 0.419 11.780 1.00 2.59 H new ATOM 0 HG21 THR A 41 -3.700 1.350 10.610 1.00 2.45 H new ATOM 0 HG22 THR A 41 -4.049 3.076 10.868 1.00 2.45 H new ATOM 0 HG23 THR A 41 -2.601 2.587 9.956 1.00 2.45 H new ATOM 614 N ASN A 42 -0.587 4.451 10.429 1.00 0.73 N ATOM 615 CA ASN A 42 0.481 4.607 9.440 1.00 0.79 C ATOM 616 C ASN A 42 0.650 3.275 8.742 1.00 0.76 C ATOM 617 O ASN A 42 1.711 2.665 8.822 1.00 0.97 O ATOM 618 CB ASN A 42 1.805 5.172 9.990 1.00 1.01 C ATOM 619 CG ASN A 42 1.559 6.512 10.659 1.00 1.18 C ATOM 620 OD1 ASN A 42 1.669 7.560 10.030 1.00 2.66 O ATOM 621 ND2 ASN A 42 1.153 6.472 11.921 1.00 1.92 N ATOM 0 H ASN A 42 -1.477 4.810 10.083 1.00 0.73 H new ATOM 0 HA ASN A 42 0.181 5.378 8.730 1.00 0.79 H new ATOM 0 HB2 ASN A 42 2.239 4.473 10.705 1.00 1.01 H new ATOM 0 HB3 ASN A 42 2.525 5.287 9.180 1.00 1.01 H new ATOM 0 HD21 ASN A 42 0.917 7.336 12.408 1.00 1.92 H new ATOM 0 HD22 ASN A 42 1.077 5.577 12.404 1.00 1.92 H new ATOM 628 N LYS A 43 -0.406 2.817 8.062 1.00 0.65 N ATOM 629 CA LYS A 43 -0.429 1.517 7.416 1.00 0.65 C ATOM 630 C LYS A 43 -1.148 1.606 6.092 1.00 0.56 C ATOM 631 O LYS A 43 -1.884 2.565 5.857 1.00 0.58 O ATOM 632 CB LYS A 43 -1.013 0.432 8.353 1.00 0.71 C ATOM 633 CG LYS A 43 -2.376 -0.214 8.016 1.00 1.34 C ATOM 634 CD LYS A 43 -3.499 0.800 7.723 1.00 1.24 C ATOM 635 CE LYS A 43 -4.885 0.412 8.254 1.00 1.39 C ATOM 636 NZ LYS A 43 -5.680 -0.310 7.236 1.00 2.29 N ATOM 0 H LYS A 43 -1.270 3.347 7.948 1.00 0.65 H new ATOM 0 HA LYS A 43 0.594 1.207 7.205 1.00 0.65 H new ATOM 0 HB2 LYS A 43 -0.279 -0.371 8.420 1.00 0.71 H new ATOM 0 HB3 LYS A 43 -1.097 0.870 9.347 1.00 0.71 H new ATOM 0 HG2 LYS A 43 -2.253 -0.864 7.150 1.00 1.34 H new ATOM 0 HG3 LYS A 43 -2.681 -0.847 8.849 1.00 1.34 H new ATOM 0 HD2 LYS A 43 -3.219 1.762 8.153 1.00 1.24 H new ATOM 0 HD3 LYS A 43 -3.567 0.941 6.644 1.00 1.24 H new ATOM 0 HE2 LYS A 43 -4.773 -0.214 9.139 1.00 1.39 H new ATOM 0 HE3 LYS A 43 -5.420 1.310 8.564 1.00 1.39 H new ATOM 0 HZ1 LYS A 43 -6.683 -0.053 7.332 1.00 2.29 H new ATOM 0 HZ2 LYS A 43 -5.346 -0.050 6.286 1.00 2.29 H new ATOM 0 HZ3 LYS A 43 -5.571 -1.335 7.373 1.00 2.29 H new ATOM 650 N ALA A 44 -0.979 0.553 5.297 1.00 0.57 N ATOM 651 CA ALA A 44 -1.775 0.186 4.153 1.00 0.49 C ATOM 652 C ALA A 44 -2.117 -1.288 4.308 1.00 0.49 C ATOM 653 O ALA A 44 -1.233 -2.140 4.222 1.00 0.63 O ATOM 654 CB ALA A 44 -0.983 0.460 2.880 1.00 0.57 C ATOM 0 H ALA A 44 -0.221 -0.110 5.457 1.00 0.57 H new ATOM 0 HA ALA A 44 -2.695 0.767 4.087 1.00 0.49 H new ATOM 0 HB1 ALA A 44 -1.582 0.184 2.012 1.00 0.57 H new ATOM 0 HB2 ALA A 44 -0.735 1.520 2.827 1.00 0.57 H new ATOM 0 HB3 ALA A 44 -0.065 -0.127 2.889 1.00 0.57 H new ATOM 660 N HIS A 45 -3.397 -1.576 4.566 1.00 0.52 N ATOM 661 CA HIS A 45 -3.939 -2.907 4.364 1.00 0.55 C ATOM 662 C HIS A 45 -4.360 -2.951 2.907 1.00 0.54 C ATOM 663 O HIS A 45 -4.928 -1.983 2.401 1.00 0.70 O ATOM 664 CB HIS A 45 -5.061 -3.181 5.368 1.00 0.63 C ATOM 665 CG HIS A 45 -5.659 -4.560 5.263 1.00 0.66 C ATOM 666 ND1 HIS A 45 -5.624 -5.536 6.233 1.00 0.76 N ATOM 667 CD2 HIS A 45 -6.419 -5.033 4.229 1.00 0.79 C ATOM 668 CE1 HIS A 45 -6.358 -6.571 5.788 1.00 0.87 C ATOM 669 NE2 HIS A 45 -6.865 -6.311 4.571 1.00 0.91 N ATOM 0 H HIS A 45 -4.072 -0.897 4.916 1.00 0.52 H new ATOM 0 HA HIS A 45 -3.221 -3.706 4.550 1.00 0.55 H new ATOM 0 HB2 HIS A 45 -4.673 -3.041 6.377 1.00 0.63 H new ATOM 0 HB3 HIS A 45 -5.850 -2.443 5.225 1.00 0.63 H new ATOM 0 HD2 HIS A 45 -6.636 -4.510 3.309 1.00 0.79 H new ATOM 0 HE1 HIS A 45 -6.519 -7.488 6.335 1.00 0.87 H new ATOM 0 HE2 HIS A 45 -7.457 -6.924 4.010 1.00 0.91 H new ATOM 677 N ILE A 46 -4.017 -4.042 2.230 1.00 0.98 N ATOM 678 CA ILE A 46 -4.188 -4.213 0.811 1.00 0.87 C ATOM 679 C ILE A 46 -4.670 -5.631 0.569 1.00 0.87 C ATOM 680 O ILE A 46 -4.407 -6.546 1.351 1.00 1.34 O ATOM 681 CB ILE A 46 -2.887 -3.920 0.047 1.00 0.91 C ATOM 682 CG1 ILE A 46 -1.729 -4.821 0.507 1.00 2.70 C ATOM 683 CG2 ILE A 46 -2.501 -2.443 0.181 1.00 2.42 C ATOM 684 CD1 ILE A 46 -0.546 -4.705 -0.449 1.00 3.40 C ATOM 0 H ILE A 46 -3.598 -4.855 2.681 1.00 0.98 H new ATOM 0 HA ILE A 46 -4.924 -3.502 0.437 1.00 0.87 H new ATOM 0 HB ILE A 46 -3.075 -4.142 -1.003 1.00 0.91 H new ATOM 0 HG12 ILE A 46 -1.419 -4.539 1.513 1.00 2.70 H new ATOM 0 HG13 ILE A 46 -2.064 -5.857 0.555 1.00 2.70 H new ATOM 0 HG21 ILE A 46 -1.577 -2.257 -0.367 1.00 2.42 H new ATOM 0 HG22 ILE A 46 -3.297 -1.820 -0.228 1.00 2.42 H new ATOM 0 HG23 ILE A 46 -2.354 -2.199 1.233 1.00 2.42 H new ATOM 0 HD11 ILE A 46 0.263 -5.350 -0.106 1.00 3.40 H new ATOM 0 HD12 ILE A 46 -0.855 -5.010 -1.449 1.00 3.40 H new ATOM 0 HD13 ILE A 46 -0.200 -3.672 -0.476 1.00 3.40 H new ATOM 696 N LYS A 47 -5.409 -5.769 -0.519 1.00 0.57 N ATOM 697 CA LYS A 47 -6.097 -6.959 -0.950 1.00 0.82 C ATOM 698 C LYS A 47 -5.853 -6.957 -2.458 1.00 0.88 C ATOM 699 O LYS A 47 -6.425 -6.133 -3.176 1.00 1.04 O ATOM 700 CB LYS A 47 -7.565 -6.779 -0.533 1.00 0.97 C ATOM 701 CG LYS A 47 -7.871 -7.124 0.939 1.00 0.82 C ATOM 702 CD LYS A 47 -7.774 -8.605 1.343 1.00 1.08 C ATOM 703 CE LYS A 47 -8.983 -9.478 0.974 1.00 1.78 C ATOM 704 NZ LYS A 47 -9.220 -9.479 -0.476 1.00 2.95 N ATOM 0 H LYS A 47 -5.549 -4.993 -1.166 1.00 0.57 H new ATOM 0 HA LYS A 47 -5.776 -7.912 -0.530 1.00 0.82 H new ATOM 0 HB2 LYS A 47 -7.855 -5.744 -0.716 1.00 0.97 H new ATOM 0 HB3 LYS A 47 -8.188 -7.403 -1.174 1.00 0.97 H new ATOM 0 HG2 LYS A 47 -7.188 -6.555 1.570 1.00 0.82 H new ATOM 0 HG3 LYS A 47 -8.879 -6.776 1.166 1.00 0.82 H new ATOM 0 HD2 LYS A 47 -6.886 -9.032 0.877 1.00 1.08 H new ATOM 0 HD3 LYS A 47 -7.626 -8.659 2.422 1.00 1.08 H new ATOM 0 HE2 LYS A 47 -8.815 -10.499 1.318 1.00 1.78 H new ATOM 0 HE3 LYS A 47 -9.870 -9.110 1.489 1.00 1.78 H new ATOM 0 HZ1 LYS A 47 -9.721 -10.350 -0.745 1.00 2.95 H new ATOM 0 HZ2 LYS A 47 -9.797 -8.653 -0.734 1.00 2.95 H new ATOM 0 HZ3 LYS A 47 -8.309 -9.435 -0.977 1.00 2.95 H new ATOM 718 N TYR A 48 -4.879 -7.758 -2.899 1.00 0.84 N ATOM 719 CA TYR A 48 -4.235 -7.658 -4.199 1.00 0.82 C ATOM 720 C TYR A 48 -3.896 -9.060 -4.688 1.00 0.65 C ATOM 721 O TYR A 48 -3.515 -9.909 -3.886 1.00 0.77 O ATOM 722 CB TYR A 48 -2.969 -6.787 -4.098 1.00 1.07 C ATOM 723 CG TYR A 48 -1.798 -7.447 -3.395 1.00 1.08 C ATOM 724 CD1 TYR A 48 -1.855 -7.687 -2.011 1.00 1.93 C ATOM 725 CD2 TYR A 48 -0.733 -7.979 -4.149 1.00 1.67 C ATOM 726 CE1 TYR A 48 -0.897 -8.511 -1.400 1.00 2.02 C ATOM 727 CE2 TYR A 48 0.275 -8.726 -3.518 1.00 1.67 C ATOM 728 CZ TYR A 48 0.173 -9.024 -2.151 1.00 1.21 C ATOM 729 OH TYR A 48 1.107 -9.820 -1.557 1.00 1.32 O ATOM 0 H TYR A 48 -4.508 -8.521 -2.334 1.00 0.84 H new ATOM 0 HA TYR A 48 -4.908 -7.184 -4.913 1.00 0.82 H new ATOM 0 HB2 TYR A 48 -2.658 -6.504 -5.104 1.00 1.07 H new ATOM 0 HB3 TYR A 48 -3.219 -5.866 -3.571 1.00 1.07 H new ATOM 0 HD1 TYR A 48 -2.637 -7.237 -1.417 1.00 1.93 H new ATOM 0 HD2 TYR A 48 -0.692 -7.812 -5.215 1.00 1.67 H new ATOM 0 HE1 TYR A 48 -0.983 -8.751 -0.350 1.00 2.02 H new ATOM 0 HE2 TYR A 48 1.128 -9.071 -4.084 1.00 1.67 H new ATOM 0 HH TYR A 48 1.777 -10.089 -2.220 1.00 1.32 H new ATOM 739 N ASP A 49 -4.033 -9.326 -5.985 1.00 0.68 N ATOM 740 CA ASP A 49 -3.631 -10.609 -6.542 1.00 0.67 C ATOM 741 C ASP A 49 -2.113 -10.603 -6.754 1.00 0.69 C ATOM 742 O ASP A 49 -1.613 -9.745 -7.483 1.00 0.77 O ATOM 743 CB ASP A 49 -4.393 -10.884 -7.843 1.00 0.79 C ATOM 744 CG ASP A 49 -3.928 -12.182 -8.491 1.00 1.75 C ATOM 745 OD1 ASP A 49 -3.580 -13.112 -7.728 1.00 2.72 O ATOM 746 OD2 ASP A 49 -3.919 -12.233 -9.736 1.00 2.82 O ATOM 0 H ASP A 49 -4.418 -8.671 -6.665 1.00 0.68 H new ATOM 0 HA ASP A 49 -3.879 -11.415 -5.852 1.00 0.67 H new ATOM 0 HB2 ASP A 49 -5.462 -10.940 -7.636 1.00 0.79 H new ATOM 0 HB3 ASP A 49 -4.245 -10.056 -8.536 1.00 0.79 H new ATOM 751 N PRO A 50 -1.345 -11.504 -6.117 1.00 0.76 N ATOM 752 CA PRO A 50 0.097 -11.523 -6.283 1.00 0.87 C ATOM 753 C PRO A 50 0.503 -11.888 -7.715 1.00 1.06 C ATOM 754 O PRO A 50 1.513 -11.382 -8.203 1.00 2.03 O ATOM 755 CB PRO A 50 0.631 -12.511 -5.242 1.00 0.95 C ATOM 756 CG PRO A 50 -0.554 -13.442 -4.993 1.00 0.95 C ATOM 757 CD PRO A 50 -1.761 -12.520 -5.159 1.00 0.86 C ATOM 0 HA PRO A 50 0.528 -10.535 -6.124 1.00 0.87 H new ATOM 0 HB2 PRO A 50 1.498 -13.056 -5.614 1.00 0.95 H new ATOM 0 HB3 PRO A 50 0.941 -12.003 -4.329 1.00 0.95 H new ATOM 0 HG2 PRO A 50 -0.576 -14.266 -5.706 1.00 0.95 H new ATOM 0 HG3 PRO A 50 -0.518 -13.883 -3.997 1.00 0.95 H new ATOM 0 HD2 PRO A 50 -2.629 -13.071 -5.523 1.00 0.86 H new ATOM 0 HD3 PRO A 50 -2.045 -12.070 -4.208 1.00 0.86 H new ATOM 765 N GLU A 51 -0.266 -12.738 -8.410 1.00 0.81 N ATOM 766 CA GLU A 51 0.080 -13.227 -9.745 1.00 0.94 C ATOM 767 C GLU A 51 -0.189 -12.179 -10.843 1.00 1.07 C ATOM 768 O GLU A 51 -0.706 -12.510 -11.908 1.00 2.46 O ATOM 769 CB GLU A 51 -0.687 -14.531 -10.012 1.00 1.17 C ATOM 770 CG GLU A 51 -0.304 -15.659 -9.034 1.00 2.08 C ATOM 771 CD GLU A 51 -1.524 -16.216 -8.321 1.00 2.66 C ATOM 772 OE1 GLU A 51 -2.480 -16.646 -9.006 1.00 2.97 O ATOM 773 OE2 GLU A 51 -1.582 -16.118 -7.075 1.00 3.72 O ATOM 0 H GLU A 51 -1.150 -13.105 -8.057 1.00 0.81 H new ATOM 0 HA GLU A 51 1.152 -13.422 -9.776 1.00 0.94 H new ATOM 0 HB2 GLU A 51 -1.757 -14.339 -9.938 1.00 1.17 H new ATOM 0 HB3 GLU A 51 -0.492 -14.859 -11.033 1.00 1.17 H new ATOM 0 HG2 GLU A 51 0.197 -16.459 -9.578 1.00 2.08 H new ATOM 0 HG3 GLU A 51 0.406 -15.279 -8.299 1.00 2.08 H new ATOM 780 N ILE A 52 0.202 -10.923 -10.603 1.00 0.94 N ATOM 781 CA ILE A 52 0.009 -9.785 -11.490 1.00 0.96 C ATOM 782 C ILE A 52 0.755 -8.560 -10.951 1.00 0.90 C ATOM 783 O ILE A 52 1.334 -7.814 -11.737 1.00 1.08 O ATOM 784 CB ILE A 52 -1.489 -9.519 -11.761 1.00 1.03 C ATOM 785 CG1 ILE A 52 -1.734 -8.286 -12.645 1.00 2.16 C ATOM 786 CG2 ILE A 52 -2.292 -9.381 -10.468 1.00 1.97 C ATOM 787 CD1 ILE A 52 -1.051 -8.432 -14.007 1.00 3.44 C ATOM 0 H ILE A 52 0.684 -10.666 -9.742 1.00 0.94 H new ATOM 0 HA ILE A 52 0.442 -10.020 -12.462 1.00 0.96 H new ATOM 0 HB ILE A 52 -1.836 -10.398 -12.305 1.00 1.03 H new ATOM 0 HG12 ILE A 52 -2.806 -8.145 -12.787 1.00 2.16 H new ATOM 0 HG13 ILE A 52 -1.359 -7.395 -12.142 1.00 2.16 H new ATOM 0 HG21 ILE A 52 -3.339 -9.195 -10.708 1.00 1.97 H new ATOM 0 HG22 ILE A 52 -2.210 -10.301 -9.889 1.00 1.97 H new ATOM 0 HG23 ILE A 52 -1.900 -8.549 -9.884 1.00 1.97 H new ATOM 0 HD11 ILE A 52 -1.244 -7.543 -14.608 1.00 3.44 H new ATOM 0 HD12 ILE A 52 0.023 -8.548 -13.865 1.00 3.44 H new ATOM 0 HD13 ILE A 52 -1.446 -9.309 -14.520 1.00 3.44 H new ATOM 799 N ILE A 53 0.771 -8.349 -9.630 1.00 0.77 N ATOM 800 CA ILE A 53 1.565 -7.300 -9.009 1.00 0.82 C ATOM 801 C ILE A 53 2.194 -7.891 -7.751 1.00 0.77 C ATOM 802 O ILE A 53 1.485 -8.358 -6.860 1.00 1.20 O ATOM 803 CB ILE A 53 0.693 -6.047 -8.770 1.00 1.00 C ATOM 804 CG1 ILE A 53 1.561 -4.790 -8.627 1.00 1.60 C ATOM 805 CG2 ILE A 53 -0.234 -6.170 -7.553 1.00 0.93 C ATOM 806 CD1 ILE A 53 0.729 -3.516 -8.783 1.00 0.92 C ATOM 0 H ILE A 53 0.231 -8.905 -8.967 1.00 0.77 H new ATOM 0 HA ILE A 53 2.376 -6.954 -9.651 1.00 0.82 H new ATOM 0 HB ILE A 53 0.059 -5.960 -9.652 1.00 1.00 H new ATOM 0 HG12 ILE A 53 2.048 -4.791 -7.652 1.00 1.60 H new ATOM 0 HG13 ILE A 53 2.351 -4.804 -9.378 1.00 1.60 H new ATOM 0 HG21 ILE A 53 -0.816 -5.255 -7.445 1.00 0.93 H new ATOM 0 HG22 ILE A 53 -0.908 -7.015 -7.693 1.00 0.93 H new ATOM 0 HG23 ILE A 53 0.363 -6.328 -6.655 1.00 0.93 H new ATOM 0 HD11 ILE A 53 1.375 -2.644 -8.676 1.00 0.92 H new ATOM 0 HD12 ILE A 53 0.263 -3.504 -9.768 1.00 0.92 H new ATOM 0 HD13 ILE A 53 -0.045 -3.491 -8.016 1.00 0.92 H new ATOM 818 N GLY A 54 3.523 -7.936 -7.678 1.00 0.83 N ATOM 819 CA GLY A 54 4.181 -8.446 -6.494 1.00 0.82 C ATOM 820 C GLY A 54 3.989 -7.455 -5.346 1.00 0.71 C ATOM 821 O GLY A 54 3.823 -6.256 -5.587 1.00 0.76 O ATOM 0 H GLY A 54 4.152 -7.628 -8.419 1.00 0.83 H new ATOM 0 HA2 GLY A 54 3.768 -9.418 -6.224 1.00 0.82 H new ATOM 0 HA3 GLY A 54 5.243 -8.594 -6.689 1.00 0.82 H new ATOM 825 N PRO A 55 4.076 -7.908 -4.086 1.00 0.83 N ATOM 826 CA PRO A 55 4.086 -7.001 -2.952 1.00 0.89 C ATOM 827 C PRO A 55 5.192 -5.963 -3.148 1.00 0.81 C ATOM 828 O PRO A 55 4.956 -4.767 -3.010 1.00 0.76 O ATOM 829 CB PRO A 55 4.289 -7.880 -1.715 1.00 1.20 C ATOM 830 CG PRO A 55 4.940 -9.155 -2.258 1.00 1.29 C ATOM 831 CD PRO A 55 4.363 -9.271 -3.671 1.00 1.08 C ATOM 0 HA PRO A 55 3.161 -6.435 -2.842 1.00 0.89 H new ATOM 0 HB2 PRO A 55 4.927 -7.390 -0.980 1.00 1.20 H new ATOM 0 HB3 PRO A 55 3.342 -8.097 -1.221 1.00 1.20 H new ATOM 0 HG2 PRO A 55 6.027 -9.077 -2.273 1.00 1.29 H new ATOM 0 HG3 PRO A 55 4.691 -10.024 -1.649 1.00 1.29 H new ATOM 0 HD2 PRO A 55 5.074 -9.746 -4.347 1.00 1.08 H new ATOM 0 HD3 PRO A 55 3.460 -9.882 -3.677 1.00 1.08 H new ATOM 839 N ARG A 56 6.384 -6.417 -3.554 1.00 0.93 N ATOM 840 CA ARG A 56 7.489 -5.533 -3.893 1.00 1.02 C ATOM 841 C ARG A 56 7.076 -4.442 -4.885 1.00 0.91 C ATOM 842 O ARG A 56 7.553 -3.323 -4.780 1.00 0.94 O ATOM 843 CB ARG A 56 8.660 -6.313 -4.494 1.00 1.25 C ATOM 844 CG ARG A 56 9.215 -7.399 -3.566 1.00 3.08 C ATOM 845 CD ARG A 56 10.652 -7.744 -3.980 1.00 3.58 C ATOM 846 NE ARG A 56 10.735 -8.053 -5.418 1.00 4.42 N ATOM 847 CZ ARG A 56 11.848 -7.981 -6.166 1.00 5.45 C ATOM 848 NH1 ARG A 56 13.029 -7.743 -5.584 1.00 5.72 N ATOM 849 NH2 ARG A 56 11.773 -8.147 -7.490 1.00 6.89 N ATOM 0 H ARG A 56 6.602 -7.408 -3.654 1.00 0.93 H new ATOM 0 HA ARG A 56 7.794 -5.064 -2.958 1.00 1.02 H new ATOM 0 HB2 ARG A 56 8.337 -6.775 -5.427 1.00 1.25 H new ATOM 0 HB3 ARG A 56 9.460 -5.616 -4.743 1.00 1.25 H new ATOM 0 HG2 ARG A 56 9.197 -7.053 -2.533 1.00 3.08 H new ATOM 0 HG3 ARG A 56 8.588 -8.289 -3.615 1.00 3.08 H new ATOM 0 HD2 ARG A 56 11.311 -6.907 -3.747 1.00 3.58 H new ATOM 0 HD3 ARG A 56 11.004 -8.598 -3.401 1.00 3.58 H new ATOM 0 HE ARG A 56 9.876 -8.346 -5.884 1.00 4.42 H new ATOM 0 HH11 ARG A 56 13.083 -7.617 -4.573 1.00 5.72 H new ATOM 0 HH12 ARG A 56 13.875 -7.688 -6.151 1.00 5.72 H new ATOM 0 HH21 ARG A 56 10.871 -8.328 -7.931 1.00 6.89 H new ATOM 0 HH22 ARG A 56 12.617 -8.093 -8.059 1.00 6.89 H new ATOM 863 N ASP A 57 6.220 -4.743 -5.859 1.00 0.85 N ATOM 864 CA ASP A 57 5.843 -3.767 -6.871 1.00 0.89 C ATOM 865 C ASP A 57 4.973 -2.685 -6.237 1.00 0.71 C ATOM 866 O ASP A 57 5.149 -1.493 -6.495 1.00 0.72 O ATOM 867 CB ASP A 57 5.173 -4.464 -8.057 1.00 1.04 C ATOM 868 CG ASP A 57 6.070 -5.532 -8.665 1.00 1.71 C ATOM 869 OD1 ASP A 57 7.281 -5.246 -8.815 1.00 2.73 O ATOM 870 OD2 ASP A 57 5.530 -6.630 -8.925 1.00 2.22 O ATOM 0 H ASP A 57 5.776 -5.655 -5.966 1.00 0.85 H new ATOM 0 HA ASP A 57 6.730 -3.273 -7.268 1.00 0.89 H new ATOM 0 HB2 ASP A 57 4.237 -4.918 -7.731 1.00 1.04 H new ATOM 0 HB3 ASP A 57 4.921 -3.725 -8.818 1.00 1.04 H new ATOM 875 N ILE A 58 4.067 -3.094 -5.348 1.00 0.61 N ATOM 876 CA ILE A 58 3.329 -2.151 -4.521 1.00 0.55 C ATOM 877 C ILE A 58 4.306 -1.300 -3.699 1.00 0.54 C ATOM 878 O ILE A 58 4.168 -0.076 -3.693 1.00 0.53 O ATOM 879 CB ILE A 58 2.277 -2.892 -3.682 1.00 0.53 C ATOM 880 CG1 ILE A 58 1.161 -3.408 -4.607 1.00 0.61 C ATOM 881 CG2 ILE A 58 1.672 -1.994 -2.594 1.00 0.63 C ATOM 882 CD1 ILE A 58 0.658 -4.770 -4.136 1.00 0.73 C ATOM 0 H ILE A 58 3.830 -4.073 -5.186 1.00 0.61 H new ATOM 0 HA ILE A 58 2.772 -1.452 -5.145 1.00 0.55 H new ATOM 0 HB ILE A 58 2.772 -3.725 -3.183 1.00 0.53 H new ATOM 0 HG12 ILE A 58 0.336 -2.696 -4.623 1.00 0.61 H new ATOM 0 HG13 ILE A 58 1.535 -3.486 -5.628 1.00 0.61 H new ATOM 0 HG21 ILE A 58 0.933 -2.559 -2.025 1.00 0.63 H new ATOM 0 HG22 ILE A 58 2.461 -1.652 -1.925 1.00 0.63 H new ATOM 0 HG23 ILE A 58 1.191 -1.133 -3.059 1.00 0.63 H new ATOM 0 HD11 ILE A 58 -0.131 -5.117 -4.803 1.00 0.73 H new ATOM 0 HD12 ILE A 58 1.481 -5.485 -4.144 1.00 0.73 H new ATOM 0 HD13 ILE A 58 0.264 -4.682 -3.124 1.00 0.73 H new ATOM 894 N ILE A 59 5.310 -1.912 -3.050 1.00 0.56 N ATOM 895 CA ILE A 59 6.362 -1.164 -2.367 1.00 0.57 C ATOM 896 C ILE A 59 6.973 -0.124 -3.319 1.00 0.56 C ATOM 897 O ILE A 59 6.918 1.067 -3.027 1.00 0.51 O ATOM 898 CB ILE A 59 7.438 -2.096 -1.766 1.00 0.64 C ATOM 899 CG1 ILE A 59 6.926 -3.170 -0.789 1.00 0.88 C ATOM 900 CG2 ILE A 59 8.503 -1.252 -1.072 1.00 0.68 C ATOM 901 CD1 ILE A 59 6.259 -2.621 0.467 1.00 1.83 C ATOM 0 H ILE A 59 5.410 -2.925 -2.988 1.00 0.56 H new ATOM 0 HA ILE A 59 5.912 -0.636 -1.526 1.00 0.57 H new ATOM 0 HB ILE A 59 7.839 -2.651 -2.614 1.00 0.64 H new ATOM 0 HG12 ILE A 59 6.215 -3.809 -1.312 1.00 0.88 H new ATOM 0 HG13 ILE A 59 7.764 -3.802 -0.493 1.00 0.88 H new ATOM 0 HG21 ILE A 59 9.265 -1.905 -0.646 1.00 0.68 H new ATOM 0 HG22 ILE A 59 8.964 -0.581 -1.796 1.00 0.68 H new ATOM 0 HG23 ILE A 59 8.042 -0.666 -0.277 1.00 0.68 H new ATOM 0 HD11 ILE A 59 5.930 -3.448 1.096 1.00 1.83 H new ATOM 0 HD12 ILE A 59 6.971 -2.007 1.018 1.00 1.83 H new ATOM 0 HD13 ILE A 59 5.398 -2.014 0.186 1.00 1.83 H new ATOM 913 N HIS A 60 7.504 -0.562 -4.466 1.00 0.68 N ATOM 914 CA HIS A 60 8.126 0.300 -5.466 1.00 0.79 C ATOM 915 C HIS A 60 7.207 1.476 -5.808 1.00 0.75 C ATOM 916 O HIS A 60 7.651 2.619 -5.919 1.00 0.76 O ATOM 917 CB HIS A 60 8.464 -0.491 -6.746 1.00 0.95 C ATOM 918 CG HIS A 60 9.312 -1.733 -6.576 1.00 1.89 C ATOM 919 ND1 HIS A 60 9.241 -2.867 -7.362 1.00 2.97 N ATOM 920 CD2 HIS A 60 10.279 -1.955 -5.628 1.00 2.78 C ATOM 921 CE1 HIS A 60 10.134 -3.748 -6.888 1.00 4.03 C ATOM 922 NE2 HIS A 60 10.797 -3.242 -5.835 1.00 3.98 N ATOM 0 H HIS A 60 7.511 -1.548 -4.727 1.00 0.68 H new ATOM 0 HA HIS A 60 9.054 0.686 -5.043 1.00 0.79 H new ATOM 0 HB2 HIS A 60 7.528 -0.781 -7.223 1.00 0.95 H new ATOM 0 HB3 HIS A 60 8.978 0.180 -7.434 1.00 0.95 H new ATOM 0 HD2 HIS A 60 10.587 -1.262 -4.859 1.00 2.78 H new ATOM 0 HE1 HIS A 60 10.298 -4.733 -7.298 1.00 4.03 H new ATOM 0 HE2 HIS A 60 11.530 -3.701 -5.294 1.00 3.98 H new ATOM 930 N THR A 61 5.913 1.198 -5.976 1.00 0.74 N ATOM 931 CA THR A 61 4.939 2.228 -6.293 1.00 0.77 C ATOM 932 C THR A 61 4.835 3.219 -5.128 1.00 0.66 C ATOM 933 O THR A 61 4.926 4.428 -5.330 1.00 0.68 O ATOM 934 CB THR A 61 3.590 1.591 -6.658 1.00 0.88 C ATOM 935 OG1 THR A 61 3.779 0.615 -7.663 1.00 1.12 O ATOM 936 CG2 THR A 61 2.630 2.647 -7.209 1.00 1.09 C ATOM 0 H THR A 61 5.520 0.260 -5.896 1.00 0.74 H new ATOM 0 HA THR A 61 5.264 2.792 -7.167 1.00 0.77 H new ATOM 0 HB THR A 61 3.174 1.142 -5.756 1.00 0.88 H new ATOM 0 HG1 THR A 61 4.207 -0.176 -7.274 1.00 1.12 H new ATOM 0 HG21 THR A 61 1.679 2.178 -7.462 1.00 1.09 H new ATOM 0 HG22 THR A 61 2.465 3.417 -6.456 1.00 1.09 H new ATOM 0 HG23 THR A 61 3.061 3.099 -8.102 1.00 1.09 H new ATOM 944 N ILE A 62 4.670 2.715 -3.904 1.00 0.58 N ATOM 945 CA ILE A 62 4.636 3.535 -2.700 1.00 0.54 C ATOM 946 C ILE A 62 5.877 4.433 -2.601 1.00 0.52 C ATOM 947 O ILE A 62 5.734 5.629 -2.338 1.00 0.58 O ATOM 948 CB ILE A 62 4.404 2.637 -1.464 1.00 0.48 C ATOM 949 CG1 ILE A 62 2.903 2.642 -1.127 1.00 0.44 C ATOM 950 CG2 ILE A 62 5.207 3.113 -0.248 1.00 0.68 C ATOM 951 CD1 ILE A 62 2.472 1.472 -0.239 1.00 1.27 C ATOM 0 H ILE A 62 4.556 1.718 -3.723 1.00 0.58 H new ATOM 0 HA ILE A 62 3.794 4.225 -2.747 1.00 0.54 H new ATOM 0 HB ILE A 62 4.744 1.629 -1.703 1.00 0.48 H new ATOM 0 HG12 ILE A 62 2.654 3.578 -0.627 1.00 0.44 H new ATOM 0 HG13 ILE A 62 2.331 2.614 -2.054 1.00 0.44 H new ATOM 0 HG21 ILE A 62 5.013 2.453 0.597 1.00 0.68 H new ATOM 0 HG22 ILE A 62 6.271 3.096 -0.485 1.00 0.68 H new ATOM 0 HG23 ILE A 62 4.909 4.129 0.010 1.00 0.68 H new ATOM 0 HD11 ILE A 62 1.402 1.540 -0.042 1.00 1.27 H new ATOM 0 HD12 ILE A 62 2.689 0.532 -0.746 1.00 1.27 H new ATOM 0 HD13 ILE A 62 3.018 1.511 0.704 1.00 1.27 H new ATOM 963 N GLU A 63 7.069 3.872 -2.814 1.00 0.50 N ATOM 964 CA GLU A 63 8.314 4.626 -2.822 1.00 0.58 C ATOM 965 C GLU A 63 8.246 5.722 -3.886 1.00 0.54 C ATOM 966 O GLU A 63 8.489 6.890 -3.593 1.00 0.59 O ATOM 967 CB GLU A 63 9.500 3.683 -3.066 1.00 0.71 C ATOM 968 CG GLU A 63 9.708 2.705 -1.902 1.00 0.91 C ATOM 969 CD GLU A 63 10.849 1.740 -2.195 1.00 0.99 C ATOM 970 OE1 GLU A 63 10.685 0.943 -3.144 1.00 1.56 O ATOM 971 OE2 GLU A 63 11.867 1.822 -1.477 1.00 2.23 O ATOM 0 H GLU A 63 7.193 2.874 -2.987 1.00 0.50 H new ATOM 0 HA GLU A 63 8.459 5.101 -1.852 1.00 0.58 H new ATOM 0 HB2 GLU A 63 9.333 3.122 -3.985 1.00 0.71 H new ATOM 0 HB3 GLU A 63 10.406 4.271 -3.211 1.00 0.71 H new ATOM 0 HG2 GLU A 63 9.923 3.261 -0.990 1.00 0.91 H new ATOM 0 HG3 GLU A 63 8.790 2.145 -1.725 1.00 0.91 H new ATOM 978 N SER A 64 7.894 5.338 -5.116 1.00 0.53 N ATOM 979 CA SER A 64 7.764 6.252 -6.244 1.00 0.54 C ATOM 980 C SER A 64 6.853 7.433 -5.889 1.00 0.55 C ATOM 981 O SER A 64 7.212 8.586 -6.120 1.00 0.75 O ATOM 982 CB SER A 64 7.269 5.482 -7.477 1.00 0.59 C ATOM 983 OG SER A 64 7.346 6.286 -8.637 1.00 1.18 O ATOM 0 H SER A 64 7.689 4.368 -5.355 1.00 0.53 H new ATOM 0 HA SER A 64 8.740 6.675 -6.483 1.00 0.54 H new ATOM 0 HB2 SER A 64 7.868 4.581 -7.613 1.00 0.59 H new ATOM 0 HB3 SER A 64 6.240 5.160 -7.321 1.00 0.59 H new ATOM 0 HG SER A 64 7.028 5.776 -9.411 1.00 1.18 H new ATOM 989 N LEU A 65 5.678 7.160 -5.309 1.00 0.62 N ATOM 990 CA LEU A 65 4.782 8.212 -4.852 1.00 0.75 C ATOM 991 C LEU A 65 5.438 9.054 -3.753 1.00 0.95 C ATOM 992 O LEU A 65 5.494 10.277 -3.874 1.00 1.37 O ATOM 993 CB LEU A 65 3.450 7.623 -4.353 1.00 0.96 C ATOM 994 CG LEU A 65 2.335 7.495 -5.405 1.00 0.87 C ATOM 995 CD1 LEU A 65 1.859 8.861 -5.914 1.00 2.17 C ATOM 996 CD2 LEU A 65 2.724 6.609 -6.587 1.00 2.02 C ATOM 0 H LEU A 65 5.331 6.214 -5.148 1.00 0.62 H new ATOM 0 HA LEU A 65 4.573 8.861 -5.702 1.00 0.75 H new ATOM 0 HB2 LEU A 65 3.645 6.635 -3.937 1.00 0.96 H new ATOM 0 HB3 LEU A 65 3.083 8.245 -3.537 1.00 0.96 H new ATOM 0 HG LEU A 65 1.510 7.009 -4.885 1.00 0.87 H new ATOM 0 HD11 LEU A 65 1.072 8.719 -6.655 1.00 2.17 H new ATOM 0 HD12 LEU A 65 1.471 9.445 -5.080 1.00 2.17 H new ATOM 0 HD13 LEU A 65 2.695 9.391 -6.370 1.00 2.17 H new ATOM 0 HD21 LEU A 65 1.895 6.560 -7.293 1.00 2.02 H new ATOM 0 HD22 LEU A 65 3.599 7.028 -7.084 1.00 2.02 H new ATOM 0 HD23 LEU A 65 2.956 5.606 -6.229 1.00 2.02 H new ATOM 1008 N GLY A 66 5.813 8.432 -2.630 1.00 1.10 N ATOM 1009 CA GLY A 66 6.402 9.164 -1.517 1.00 1.27 C ATOM 1010 C GLY A 66 7.194 8.331 -0.508 1.00 1.25 C ATOM 1011 O GLY A 66 8.168 8.826 0.058 1.00 1.70 O ATOM 0 H GLY A 66 5.718 7.429 -2.473 1.00 1.10 H new ATOM 0 HA2 GLY A 66 7.062 9.931 -1.922 1.00 1.27 H new ATOM 0 HA3 GLY A 66 5.603 9.680 -0.984 1.00 1.27 H new ATOM 1015 N PHE A 67 6.682 7.152 -0.139 1.00 1.21 N ATOM 1016 CA PHE A 67 6.682 6.734 1.264 1.00 0.97 C ATOM 1017 C PHE A 67 7.499 5.465 1.503 1.00 1.13 C ATOM 1018 O PHE A 67 7.804 4.727 0.572 1.00 1.61 O ATOM 1019 CB PHE A 67 5.233 6.553 1.737 1.00 1.06 C ATOM 1020 CG PHE A 67 4.302 7.623 1.214 1.00 0.91 C ATOM 1021 CD1 PHE A 67 4.390 8.921 1.746 1.00 1.73 C ATOM 1022 CD2 PHE A 67 3.553 7.396 0.044 1.00 1.69 C ATOM 1023 CE1 PHE A 67 3.629 9.961 1.194 1.00 1.64 C ATOM 1024 CE2 PHE A 67 2.838 8.451 -0.544 1.00 1.69 C ATOM 1025 CZ PHE A 67 2.840 9.719 0.059 1.00 0.72 C ATOM 0 H PHE A 67 6.268 6.479 -0.784 1.00 1.21 H new ATOM 0 HA PHE A 67 7.166 7.517 1.848 1.00 0.97 H new ATOM 0 HB2 PHE A 67 4.871 5.576 1.416 1.00 1.06 H new ATOM 0 HB3 PHE A 67 5.209 6.559 2.827 1.00 1.06 H new ATOM 0 HD1 PHE A 67 5.045 9.118 2.582 1.00 1.73 H new ATOM 0 HD2 PHE A 67 3.529 6.412 -0.400 1.00 1.69 H new ATOM 0 HE1 PHE A 67 3.650 10.944 1.640 1.00 1.64 H new ATOM 0 HE2 PHE A 67 2.287 8.288 -1.459 1.00 1.69 H new ATOM 0 HZ PHE A 67 2.232 10.511 -0.352 1.00 0.72 H new ATOM 1035 N GLU A 68 7.811 5.192 2.771 1.00 0.90 N ATOM 1036 CA GLU A 68 8.555 4.019 3.196 1.00 0.98 C ATOM 1037 C GLU A 68 7.532 2.987 3.662 1.00 1.01 C ATOM 1038 O GLU A 68 7.032 3.068 4.785 1.00 1.70 O ATOM 1039 CB GLU A 68 9.525 4.417 4.319 1.00 1.02 C ATOM 1040 CG GLU A 68 10.349 3.225 4.846 1.00 2.65 C ATOM 1041 CD GLU A 68 10.350 3.125 6.370 1.00 3.20 C ATOM 1042 OE1 GLU A 68 10.478 4.185 7.017 1.00 2.89 O ATOM 1043 OE2 GLU A 68 10.191 1.992 6.883 1.00 4.47 O ATOM 0 H GLU A 68 7.544 5.800 3.545 1.00 0.90 H new ATOM 0 HA GLU A 68 9.153 3.596 2.389 1.00 0.98 H new ATOM 0 HB2 GLU A 68 10.203 5.187 3.951 1.00 1.02 H new ATOM 0 HB3 GLU A 68 8.961 4.855 5.142 1.00 1.02 H new ATOM 0 HG2 GLU A 68 9.949 2.301 4.427 1.00 2.65 H new ATOM 0 HG3 GLU A 68 11.376 3.317 4.493 1.00 2.65 H new ATOM 1050 N ALA A 69 7.197 2.024 2.803 1.00 1.04 N ATOM 1051 CA ALA A 69 6.414 0.874 3.226 1.00 1.04 C ATOM 1052 C ALA A 69 7.329 -0.173 3.848 1.00 0.99 C ATOM 1053 O ALA A 69 8.428 -0.424 3.358 1.00 1.24 O ATOM 1054 CB ALA A 69 5.635 0.275 2.059 1.00 1.27 C ATOM 0 H ALA A 69 7.456 2.021 1.816 1.00 1.04 H new ATOM 0 HA ALA A 69 5.691 1.207 3.971 1.00 1.04 H new ATOM 0 HB1 ALA A 69 5.060 -0.583 2.408 1.00 1.27 H new ATOM 0 HB2 ALA A 69 4.957 1.025 1.651 1.00 1.27 H new ATOM 0 HB3 ALA A 69 6.331 -0.046 1.284 1.00 1.27 H new ATOM 1060 N SER A 70 6.851 -0.790 4.925 1.00 0.84 N ATOM 1061 CA SER A 70 7.568 -1.759 5.724 1.00 0.87 C ATOM 1062 C SER A 70 6.546 -2.786 6.181 1.00 0.84 C ATOM 1063 O SER A 70 5.520 -2.424 6.753 1.00 0.91 O ATOM 1064 CB SER A 70 8.163 -1.015 6.923 1.00 1.09 C ATOM 1065 OG SER A 70 8.876 -1.844 7.836 1.00 2.06 O ATOM 0 H SER A 70 5.909 -0.615 5.274 1.00 0.84 H new ATOM 0 HA SER A 70 8.371 -2.253 5.177 1.00 0.87 H new ATOM 0 HB2 SER A 70 8.834 -0.238 6.556 1.00 1.09 H new ATOM 0 HB3 SER A 70 7.358 -0.513 7.460 1.00 1.09 H new ATOM 0 HG SER A 70 8.301 -2.583 8.125 1.00 2.06 H new ATOM 1071 N LEU A 71 6.826 -4.071 5.976 1.00 0.92 N ATOM 1072 CA LEU A 71 6.141 -5.089 6.753 1.00 1.16 C ATOM 1073 C LEU A 71 6.455 -4.883 8.240 1.00 1.33 C ATOM 1074 O LEU A 71 7.406 -4.184 8.595 1.00 2.13 O ATOM 1075 CB LEU A 71 6.492 -6.498 6.249 1.00 1.51 C ATOM 1076 CG LEU A 71 7.881 -7.041 6.641 1.00 2.64 C ATOM 1077 CD1 LEU A 71 8.009 -8.472 6.105 1.00 2.90 C ATOM 1078 CD2 LEU A 71 9.044 -6.206 6.091 1.00 3.56 C ATOM 0 H LEU A 71 7.503 -4.421 5.298 1.00 0.92 H new ATOM 0 HA LEU A 71 5.063 -4.992 6.626 1.00 1.16 H new ATOM 0 HB2 LEU A 71 5.737 -7.191 6.620 1.00 1.51 H new ATOM 0 HB3 LEU A 71 6.419 -6.500 5.161 1.00 1.51 H new ATOM 0 HG LEU A 71 7.948 -7.000 7.728 1.00 2.64 H new ATOM 0 HD11 LEU A 71 8.986 -8.875 6.372 1.00 2.90 H new ATOM 0 HD12 LEU A 71 7.228 -9.095 6.541 1.00 2.90 H new ATOM 0 HD13 LEU A 71 7.904 -8.465 5.020 1.00 2.90 H new ATOM 0 HD21 LEU A 71 9.990 -6.647 6.406 1.00 3.56 H new ATOM 0 HD22 LEU A 71 8.997 -6.189 5.002 1.00 3.56 H new ATOM 0 HD23 LEU A 71 8.973 -5.188 6.473 1.00 3.56 H new