USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 444 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 41 SER OG : rot 180:sc= 0.139 USER MOD Set 1.2: A 43 THR OG1 : rot 88:sc= 0.15 USER MOD Single : A 1 VAL N :NH3+ -162:sc= -0.321 (180deg=-1.23!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= -0.408 (180deg=-1.91!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.5) USER MOD Single : A 30 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.017) USER MOD Single : A 31 SER OG : rot 56:sc= 0.0411 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0622 USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00623 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 155:sc= 0.503 USER MOD Single : A 53 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -13.745 9.719 5.331 1.00 0.00 N ATOM 2 CA VAL A 1 -13.516 9.048 4.062 1.00 0.00 C ATOM 3 C VAL A 1 -12.030 9.131 3.707 1.00 0.00 C ATOM 4 O VAL A 1 -11.595 10.078 3.056 1.00 0.00 O ATOM 5 CB VAL A 1 -14.422 9.646 2.984 1.00 0.00 C ATOM 6 CG1 VAL A 1 -14.683 8.635 1.865 1.00 0.00 C ATOM 7 CG2 VAL A 1 -15.736 10.147 3.587 1.00 0.00 C ATOM 0 H1 VAL A 1 -14.658 9.414 5.725 1.00 0.00 H new ATOM 0 H2 VAL A 1 -12.983 9.475 5.995 1.00 0.00 H new ATOM 0 H3 VAL A 1 -13.758 10.748 5.182 1.00 0.00 H new ATOM 0 HA VAL A 1 -13.774 7.992 4.136 1.00 0.00 H new ATOM 0 HB VAL A 1 -13.905 10.502 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -15.330 9.085 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -13.737 8.348 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -15.169 7.751 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -16.361 10.567 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -16.259 9.316 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -15.525 10.915 4.331 1.00 0.00 H new ATOM 17 N THR A 2 -11.292 8.124 4.153 1.00 0.00 N ATOM 18 CA THR A 2 -9.864 8.071 3.891 1.00 0.00 C ATOM 19 C THR A 2 -9.506 6.785 3.143 1.00 0.00 C ATOM 20 O THR A 2 -9.116 5.794 3.757 1.00 0.00 O ATOM 21 CB THR A 2 -9.132 8.221 5.226 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.925 9.155 5.954 1.00 0.00 O ATOM 23 CG2 THR A 2 -7.778 8.917 5.077 1.00 0.00 C ATOM 0 H THR A 2 -11.656 7.339 4.694 1.00 0.00 H new ATOM 0 HA THR A 2 -9.551 8.887 3.239 1.00 0.00 H new ATOM 0 HB THR A 2 -8.986 7.237 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.523 9.309 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.301 8.998 6.054 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.142 8.336 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.925 9.914 4.662 1.00 0.00 H new ATOM 31 N LEU A 3 -9.654 6.843 1.828 1.00 0.00 N ATOM 32 CA LEU A 3 -9.351 5.696 0.989 1.00 0.00 C ATOM 33 C LEU A 3 -8.621 6.167 -0.270 1.00 0.00 C ATOM 34 O LEU A 3 -9.105 7.048 -0.979 1.00 0.00 O ATOM 35 CB LEU A 3 -10.622 4.894 0.700 1.00 0.00 C ATOM 36 CG LEU A 3 -10.950 3.776 1.690 1.00 0.00 C ATOM 37 CD1 LEU A 3 -12.403 3.869 2.161 1.00 0.00 C ATOM 38 CD2 LEU A 3 -10.627 2.404 1.096 1.00 0.00 C ATOM 0 H LEU A 3 -9.980 7.667 1.322 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.680 5.011 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.465 5.585 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.533 4.457 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.318 3.903 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.610 3.062 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.566 4.829 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.070 3.782 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.870 1.627 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.215 2.252 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.566 2.354 0.852 1.00 0.00 H new ATOM 50 N PHE A 4 -7.468 5.561 -0.509 1.00 0.00 N ATOM 51 CA PHE A 4 -6.666 5.907 -1.670 1.00 0.00 C ATOM 52 C PHE A 4 -6.977 4.981 -2.847 1.00 0.00 C ATOM 53 O PHE A 4 -7.917 4.190 -2.788 1.00 0.00 O ATOM 54 CB PHE A 4 -5.200 5.730 -1.270 1.00 0.00 C ATOM 55 CG PHE A 4 -4.504 7.030 -0.863 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.230 7.977 -1.800 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.159 7.239 0.436 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.585 9.184 -1.423 1.00 0.00 C ATOM 59 CE2 PHE A 4 -3.514 8.446 0.814 1.00 0.00 C ATOM 60 CZ PHE A 4 -3.239 9.393 -0.124 1.00 0.00 C ATOM 0 H PHE A 4 -7.069 4.832 0.082 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.882 6.929 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.143 5.025 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.658 5.286 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.503 7.811 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.376 6.487 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.369 9.936 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.242 8.613 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.746 10.310 0.163 1.00 0.00 H new ATOM 70 N VAL A 5 -6.169 5.110 -3.890 1.00 0.00 N ATOM 71 CA VAL A 5 -6.347 4.295 -5.080 1.00 0.00 C ATOM 72 C VAL A 5 -4.975 3.909 -5.637 1.00 0.00 C ATOM 73 O VAL A 5 -4.130 4.772 -5.868 1.00 0.00 O ATOM 74 CB VAL A 5 -7.219 5.034 -6.096 1.00 0.00 C ATOM 75 CG1 VAL A 5 -6.604 6.386 -6.465 1.00 0.00 C ATOM 76 CG2 VAL A 5 -7.453 4.180 -7.342 1.00 0.00 C ATOM 0 H VAL A 5 -5.390 5.767 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.871 3.371 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.188 5.221 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.243 6.891 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.513 7.001 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.617 6.230 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.076 4.729 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.496 3.947 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.954 3.254 -7.060 1.00 0.00 H new ATOM 86 N ALA A 6 -4.797 2.612 -5.838 1.00 0.00 N ATOM 87 CA ALA A 6 -3.542 2.101 -6.363 1.00 0.00 C ATOM 88 C ALA A 6 -3.466 2.395 -7.863 1.00 0.00 C ATOM 89 O ALA A 6 -4.470 2.742 -8.484 1.00 0.00 O ATOM 90 CB ALA A 6 -3.430 0.607 -6.056 1.00 0.00 C ATOM 0 H ALA A 6 -5.501 1.899 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.696 2.596 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.489 0.224 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.461 0.454 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.261 0.077 -6.522 1.00 0.00 H new ATOM 96 N LEU A 7 -2.266 2.246 -8.403 1.00 0.00 N ATOM 97 CA LEU A 7 -2.044 2.491 -9.818 1.00 0.00 C ATOM 98 C LEU A 7 -2.386 1.227 -10.610 1.00 0.00 C ATOM 99 O LEU A 7 -3.433 1.157 -11.252 1.00 0.00 O ATOM 100 CB LEU A 7 -0.622 3.000 -10.058 1.00 0.00 C ATOM 101 CG LEU A 7 -0.372 3.679 -11.406 1.00 0.00 C ATOM 102 CD1 LEU A 7 0.121 5.114 -11.215 1.00 0.00 C ATOM 103 CD2 LEU A 7 0.589 2.854 -12.265 1.00 0.00 C ATOM 0 H LEU A 7 -1.436 1.958 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.705 3.281 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.371 3.706 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.065 2.159 -9.964 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.320 3.733 -11.942 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.291 5.573 -12.189 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.629 5.687 -10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.053 5.106 -10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.750 3.359 -13.218 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.541 2.747 -11.745 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.161 1.868 -12.445 1.00 0.00 H new ATOM 115 N TYR A 8 -1.485 0.259 -10.537 1.00 0.00 N ATOM 116 CA TYR A 8 -1.679 -0.999 -11.239 1.00 0.00 C ATOM 117 C TYR A 8 -1.010 -2.153 -10.488 1.00 0.00 C ATOM 118 O TYR A 8 -0.550 -1.982 -9.362 1.00 0.00 O ATOM 119 CB TYR A 8 -1.000 -0.830 -12.600 1.00 0.00 C ATOM 120 CG TYR A 8 -1.974 -0.568 -13.751 1.00 0.00 C ATOM 121 CD1 TYR A 8 -2.749 -1.597 -14.246 1.00 0.00 C ATOM 122 CD2 TYR A 8 -2.076 0.696 -14.294 1.00 0.00 C ATOM 123 CE1 TYR A 8 -3.665 -1.350 -15.330 1.00 0.00 C ATOM 124 CE2 TYR A 8 -2.992 0.943 -15.378 1.00 0.00 C ATOM 125 CZ TYR A 8 -3.742 -0.092 -15.842 1.00 0.00 C ATOM 126 OH TYR A 8 -4.607 0.140 -16.866 1.00 0.00 O ATOM 0 H TYR A 8 -0.618 0.320 -10.003 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.740 -1.231 -11.327 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.292 -0.004 -12.541 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.424 -1.729 -12.822 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.669 -2.587 -13.821 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.469 1.501 -13.906 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.277 -2.146 -15.727 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.081 1.928 -15.812 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.556 1.082 -17.130 1.00 0.00 H new ATOM 136 N ASP A 9 -0.979 -3.304 -11.146 1.00 0.00 N ATOM 137 CA ASP A 9 -0.375 -4.485 -10.555 1.00 0.00 C ATOM 138 C ASP A 9 1.148 -4.338 -10.574 1.00 0.00 C ATOM 139 O ASP A 9 1.704 -3.716 -11.477 1.00 0.00 O ATOM 140 CB ASP A 9 -0.738 -5.743 -11.348 1.00 0.00 C ATOM 141 CG ASP A 9 -2.200 -6.177 -11.239 1.00 0.00 C ATOM 142 OD1 ASP A 9 -2.922 -6.247 -12.245 1.00 0.00 O ATOM 143 OD2 ASP A 9 -2.601 -6.452 -10.043 1.00 0.00 O ATOM 0 H ASP A 9 -1.362 -3.443 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.747 -4.580 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.503 -5.572 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.105 -6.563 -11.009 1.00 0.00 H new ATOM 149 N TYR A 10 1.779 -4.921 -9.566 1.00 0.00 N ATOM 150 CA TYR A 10 3.227 -4.863 -9.455 1.00 0.00 C ATOM 151 C TYR A 10 3.842 -6.260 -9.565 1.00 0.00 C ATOM 152 O TYR A 10 3.153 -7.220 -9.902 1.00 0.00 O ATOM 153 CB TYR A 10 3.521 -4.298 -8.063 1.00 0.00 C ATOM 154 CG TYR A 10 3.502 -2.769 -7.995 1.00 0.00 C ATOM 155 CD1 TYR A 10 3.965 -2.026 -9.063 1.00 0.00 C ATOM 156 CD2 TYR A 10 3.024 -2.134 -6.867 1.00 0.00 C ATOM 157 CE1 TYR A 10 3.948 -0.588 -8.999 1.00 0.00 C ATOM 158 CE2 TYR A 10 3.008 -0.695 -6.804 1.00 0.00 C ATOM 159 CZ TYR A 10 3.470 0.007 -7.873 1.00 0.00 C ATOM 160 OH TYR A 10 3.455 1.365 -7.813 1.00 0.00 O ATOM 0 H TYR A 10 1.314 -5.436 -8.818 1.00 0.00 H new ATOM 0 HA TYR A 10 3.649 -4.251 -10.253 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.787 -4.692 -7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.498 -4.654 -7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.340 -2.523 -9.945 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.662 -2.716 -6.032 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.307 0.005 -9.827 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.637 -0.185 -5.927 1.00 0.00 H new ATOM 0 HH TYR A 10 3.086 1.650 -6.951 1.00 0.00 H new ATOM 170 N GLU A 11 5.133 -6.326 -9.273 1.00 0.00 N ATOM 171 CA GLU A 11 5.849 -7.589 -9.336 1.00 0.00 C ATOM 172 C GLU A 11 6.752 -7.749 -8.111 1.00 0.00 C ATOM 173 O GLU A 11 7.754 -7.050 -7.979 1.00 0.00 O ATOM 174 CB GLU A 11 6.658 -7.698 -10.630 1.00 0.00 C ATOM 175 CG GLU A 11 6.316 -8.984 -11.384 1.00 0.00 C ATOM 176 CD GLU A 11 6.920 -8.973 -12.790 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.115 -7.896 -13.372 1.00 0.00 O ATOM 178 OE2 GLU A 11 7.191 -10.137 -13.277 1.00 0.00 O ATOM 0 H GLU A 11 5.701 -5.526 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 11 5.118 -8.398 -9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.454 -6.835 -11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.723 -7.680 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.691 -9.845 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.234 -9.094 -11.450 1.00 0.00 H new ATOM 186 N ALA A 12 6.363 -8.674 -7.245 1.00 0.00 N ATOM 187 CA ALA A 12 7.123 -8.935 -6.036 1.00 0.00 C ATOM 188 C ALA A 12 8.137 -10.048 -6.306 1.00 0.00 C ATOM 189 O ALA A 12 7.767 -11.135 -6.749 1.00 0.00 O ATOM 190 CB ALA A 12 6.165 -9.283 -4.894 1.00 0.00 C ATOM 0 H ALA A 12 5.530 -9.252 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 12 7.680 -8.048 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.736 -9.479 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.486 -8.448 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.590 -10.170 -5.159 1.00 0.00 H new ATOM 196 N ARG A 13 9.395 -9.741 -6.027 1.00 0.00 N ATOM 197 CA ARG A 13 10.465 -10.702 -6.235 1.00 0.00 C ATOM 198 C ARG A 13 11.312 -10.835 -4.968 1.00 0.00 C ATOM 199 O ARG A 13 12.230 -11.651 -4.913 1.00 0.00 O ATOM 200 CB ARG A 13 11.364 -10.282 -7.398 1.00 0.00 C ATOM 201 CG ARG A 13 11.728 -8.799 -7.304 1.00 0.00 C ATOM 202 CD ARG A 13 13.003 -8.496 -8.094 1.00 0.00 C ATOM 203 NE ARG A 13 14.017 -9.543 -7.841 1.00 0.00 N ATOM 204 CZ ARG A 13 14.968 -9.906 -8.728 1.00 0.00 C ATOM 205 NH1 ARG A 13 15.045 -9.305 -9.935 1.00 0.00 N ATOM 206 NH2 ARG A 13 15.824 -10.854 -8.397 1.00 0.00 N ATOM 0 H ARG A 13 9.698 -8.839 -5.658 1.00 0.00 H new ATOM 0 HA ARG A 13 10.007 -11.662 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.273 -10.884 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.856 -10.476 -8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.906 -8.194 -7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.868 -8.521 -6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.777 -8.447 -9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.396 -7.521 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 13 13.996 -10.021 -6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.382 -8.571 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.767 -9.585 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.761 -11.301 -7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.548 -11.140 -9.056 1.00 0.00 H new ATOM 219 N THR A 14 10.972 -10.020 -3.979 1.00 0.00 N ATOM 220 CA THR A 14 11.690 -10.037 -2.715 1.00 0.00 C ATOM 221 C THR A 14 10.911 -10.839 -1.670 1.00 0.00 C ATOM 222 O THR A 14 9.854 -11.392 -1.969 1.00 0.00 O ATOM 223 CB THR A 14 11.950 -8.588 -2.300 1.00 0.00 C ATOM 224 OG1 THR A 14 11.896 -7.861 -3.524 1.00 0.00 O ATOM 225 CG2 THR A 14 13.379 -8.370 -1.799 1.00 0.00 C ATOM 0 H THR A 14 10.209 -9.344 -4.028 1.00 0.00 H new ATOM 0 HA THR A 14 12.652 -10.540 -2.813 1.00 0.00 H new ATOM 0 HB THR A 14 11.245 -8.302 -1.520 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.053 -6.910 -3.347 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.510 -7.325 -1.517 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.562 -9.005 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.085 -8.624 -2.590 1.00 0.00 H new ATOM 233 N GLU A 15 11.464 -10.876 -0.467 1.00 0.00 N ATOM 234 CA GLU A 15 10.835 -11.601 0.624 1.00 0.00 C ATOM 235 C GLU A 15 10.542 -10.655 1.791 1.00 0.00 C ATOM 236 O GLU A 15 10.885 -10.951 2.934 1.00 0.00 O ATOM 237 CB GLU A 15 11.705 -12.776 1.075 1.00 0.00 C ATOM 238 CG GLU A 15 11.333 -14.055 0.321 1.00 0.00 C ATOM 239 CD GLU A 15 10.506 -14.992 1.203 1.00 0.00 C ATOM 240 OE1 GLU A 15 10.850 -15.203 2.376 1.00 0.00 O ATOM 241 OE2 GLU A 15 9.471 -15.507 0.631 1.00 0.00 O ATOM 0 H GLU A 15 12.341 -10.416 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 15 9.889 -12.008 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.756 -12.542 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.583 -12.933 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.768 -13.801 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.239 -14.564 -0.007 1.00 0.00 H new ATOM 249 N ASP A 16 9.913 -9.537 1.460 1.00 0.00 N ATOM 250 CA ASP A 16 9.571 -8.546 2.467 1.00 0.00 C ATOM 251 C ASP A 16 8.160 -8.020 2.198 1.00 0.00 C ATOM 252 O ASP A 16 7.238 -8.287 2.968 1.00 0.00 O ATOM 253 CB ASP A 16 10.535 -7.358 2.419 1.00 0.00 C ATOM 254 CG ASP A 16 11.559 -7.311 3.555 1.00 0.00 C ATOM 255 OD1 ASP A 16 12.154 -8.335 3.922 1.00 0.00 O ATOM 256 OD2 ASP A 16 11.739 -6.146 4.078 1.00 0.00 O ATOM 0 H ASP A 16 9.631 -9.295 0.510 1.00 0.00 H new ATOM 0 HA ASP A 16 9.633 -9.022 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.069 -7.381 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.953 -6.436 2.436 1.00 0.00 H new ATOM 262 N ASP A 17 8.035 -7.282 1.106 1.00 0.00 N ATOM 263 CA ASP A 17 6.752 -6.716 0.728 1.00 0.00 C ATOM 264 C ASP A 17 5.933 -7.773 -0.017 1.00 0.00 C ATOM 265 O ASP A 17 6.312 -8.943 -0.055 1.00 0.00 O ATOM 266 CB ASP A 17 6.931 -5.515 -0.204 1.00 0.00 C ATOM 267 CG ASP A 17 7.730 -5.799 -1.478 1.00 0.00 C ATOM 268 OD1 ASP A 17 8.448 -6.806 -1.570 1.00 0.00 O ATOM 269 OD2 ASP A 17 7.591 -4.922 -2.414 1.00 0.00 O ATOM 0 H ASP A 17 8.802 -7.063 0.470 1.00 0.00 H new ATOM 0 HA ASP A 17 6.245 -6.394 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.946 -5.143 -0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.427 -4.717 0.348 1.00 0.00 H new ATOM 275 N LEU A 18 4.826 -7.323 -0.589 1.00 0.00 N ATOM 276 CA LEU A 18 3.951 -8.215 -1.330 1.00 0.00 C ATOM 277 C LEU A 18 3.462 -7.508 -2.596 1.00 0.00 C ATOM 278 O LEU A 18 3.882 -6.390 -2.887 1.00 0.00 O ATOM 279 CB LEU A 18 2.820 -8.724 -0.434 1.00 0.00 C ATOM 280 CG LEU A 18 2.995 -10.133 0.135 1.00 0.00 C ATOM 281 CD1 LEU A 18 1.763 -10.560 0.933 1.00 0.00 C ATOM 282 CD2 LEU A 18 3.336 -11.132 -0.973 1.00 0.00 C ATOM 0 H LEU A 18 4.515 -6.352 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 18 4.496 -9.103 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.703 -8.030 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.892 -8.697 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 18 3.837 -10.120 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.915 -11.565 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.607 -9.867 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.888 -10.553 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.455 -12.126 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.531 -11.149 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.265 -10.833 -1.459 1.00 0.00 H new ATOM 294 N SER A 19 2.581 -8.190 -3.314 1.00 0.00 N ATOM 295 CA SER A 19 2.030 -7.640 -4.541 1.00 0.00 C ATOM 296 C SER A 19 0.604 -7.143 -4.298 1.00 0.00 C ATOM 297 O SER A 19 -0.128 -7.715 -3.491 1.00 0.00 O ATOM 298 CB SER A 19 2.047 -8.679 -5.664 1.00 0.00 C ATOM 299 OG SER A 19 1.187 -9.781 -5.385 1.00 0.00 O ATOM 0 H SER A 19 2.235 -9.118 -3.069 1.00 0.00 H new ATOM 0 HA SER A 19 2.652 -6.800 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.741 -8.208 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.065 -9.041 -5.808 1.00 0.00 H new ATOM 0 HG SER A 19 1.225 -10.421 -6.126 1.00 0.00 H new ATOM 305 N PHE A 20 0.251 -6.084 -5.012 1.00 0.00 N ATOM 306 CA PHE A 20 -1.074 -5.503 -4.883 1.00 0.00 C ATOM 307 C PHE A 20 -1.877 -5.679 -6.173 1.00 0.00 C ATOM 308 O PHE A 20 -1.304 -5.902 -7.240 1.00 0.00 O ATOM 309 CB PHE A 20 -0.884 -4.009 -4.615 1.00 0.00 C ATOM 310 CG PHE A 20 -1.022 -3.618 -3.142 1.00 0.00 C ATOM 311 CD1 PHE A 20 -2.255 -3.540 -2.572 1.00 0.00 C ATOM 312 CD2 PHE A 20 0.087 -3.350 -2.402 1.00 0.00 C ATOM 313 CE1 PHE A 20 -2.383 -3.179 -1.205 1.00 0.00 C ATOM 314 CE2 PHE A 20 -0.041 -2.988 -1.036 1.00 0.00 C ATOM 315 CZ PHE A 20 -1.274 -2.910 -0.465 1.00 0.00 C ATOM 0 H PHE A 20 0.860 -5.614 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.619 -5.995 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.103 -3.710 -4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.615 -3.450 -5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.136 -3.753 -3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.066 -3.413 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.362 -3.118 -0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.840 -2.774 -0.449 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.372 -2.635 0.575 1.00 0.00 H new ATOM 325 N HIS A 21 -3.191 -5.572 -6.035 1.00 0.00 N ATOM 326 CA HIS A 21 -4.077 -5.718 -7.177 1.00 0.00 C ATOM 327 C HIS A 21 -4.722 -4.368 -7.500 1.00 0.00 C ATOM 328 O HIS A 21 -4.883 -3.526 -6.619 1.00 0.00 O ATOM 329 CB HIS A 21 -5.107 -6.822 -6.929 1.00 0.00 C ATOM 330 CG HIS A 21 -4.681 -8.181 -7.431 1.00 0.00 C ATOM 331 ND1 HIS A 21 -3.535 -8.820 -6.988 1.00 0.00 N ATOM 332 CD2 HIS A 21 -5.260 -9.016 -8.342 1.00 0.00 C ATOM 333 CE1 HIS A 21 -3.439 -9.985 -7.611 1.00 0.00 C ATOM 334 NE2 HIS A 21 -4.508 -10.105 -8.449 1.00 0.00 N ATOM 0 H HIS A 21 -3.663 -5.386 -5.150 1.00 0.00 H new ATOM 0 HA HIS A 21 -3.503 -6.027 -8.050 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -5.305 -6.887 -5.859 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -6.045 -6.545 -7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -6.174 -8.824 -8.884 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.652 -10.712 -7.478 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.699 -10.901 -9.058 1.00 0.00 H new ATOM 342 N LYS A 22 -5.074 -4.205 -8.767 1.00 0.00 N ATOM 343 CA LYS A 22 -5.698 -2.972 -9.218 1.00 0.00 C ATOM 344 C LYS A 22 -7.088 -2.851 -8.591 1.00 0.00 C ATOM 345 O LYS A 22 -7.854 -3.813 -8.579 1.00 0.00 O ATOM 346 CB LYS A 22 -5.704 -2.902 -10.746 1.00 0.00 C ATOM 347 CG LYS A 22 -5.502 -1.465 -11.230 1.00 0.00 C ATOM 348 CD LYS A 22 -6.524 -1.101 -12.309 1.00 0.00 C ATOM 349 CE LYS A 22 -7.152 0.265 -12.031 1.00 0.00 C ATOM 350 NZ LYS A 22 -7.619 0.345 -10.628 1.00 0.00 N ATOM 0 H LYS A 22 -4.939 -4.906 -9.496 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.121 -2.109 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.915 -3.538 -11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.649 -3.289 -11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.595 -0.778 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.493 -1.349 -11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.039 -1.090 -13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.303 -1.862 -12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.424 1.053 -12.224 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.989 0.432 -12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.449 0.969 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.878 -0.605 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.859 0.727 -10.030 1.00 0.00 H new ATOM 363 N GLY A 23 -7.372 -1.660 -8.086 1.00 0.00 N ATOM 364 CA GLY A 23 -8.657 -1.400 -7.458 1.00 0.00 C ATOM 365 C GLY A 23 -8.809 -2.203 -6.165 1.00 0.00 C ATOM 366 O GLY A 23 -9.649 -3.098 -6.081 1.00 0.00 O ATOM 0 H GLY A 23 -6.735 -0.864 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.751 -0.336 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.461 -1.658 -8.147 1.00 0.00 H new ATOM 370 N GLU A 24 -7.983 -1.855 -5.189 1.00 0.00 N ATOM 371 CA GLU A 24 -8.015 -2.532 -3.904 1.00 0.00 C ATOM 372 C GLU A 24 -8.252 -1.523 -2.778 1.00 0.00 C ATOM 373 O GLU A 24 -8.649 -0.387 -3.031 1.00 0.00 O ATOM 374 CB GLU A 24 -6.727 -3.323 -3.669 1.00 0.00 C ATOM 375 CG GLU A 24 -6.842 -4.740 -4.237 1.00 0.00 C ATOM 376 CD GLU A 24 -7.528 -5.675 -3.238 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.508 -6.348 -3.591 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.006 -5.689 -2.058 1.00 0.00 O ATOM 0 H GLU A 24 -7.287 -1.113 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.842 -3.242 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.889 -2.807 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.516 -3.372 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.408 -4.718 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.849 -5.122 -4.476 1.00 0.00 H new ATOM 386 N LYS A 25 -7.998 -1.976 -1.559 1.00 0.00 N ATOM 387 CA LYS A 25 -8.178 -1.127 -0.394 1.00 0.00 C ATOM 388 C LYS A 25 -6.810 -0.663 0.111 1.00 0.00 C ATOM 389 O LYS A 25 -5.865 -1.448 0.165 1.00 0.00 O ATOM 390 CB LYS A 25 -9.013 -1.845 0.668 1.00 0.00 C ATOM 391 CG LYS A 25 -10.296 -2.419 0.061 1.00 0.00 C ATOM 392 CD LYS A 25 -11.354 -1.330 -0.117 1.00 0.00 C ATOM 393 CE LYS A 25 -12.354 -1.710 -1.212 1.00 0.00 C ATOM 394 NZ LYS A 25 -13.084 -0.512 -1.686 1.00 0.00 N ATOM 0 H LYS A 25 -7.669 -2.919 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.741 -0.232 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.427 -2.648 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.265 -1.150 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.073 -2.876 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.686 -3.208 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.882 -1.173 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.871 -0.387 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.829 -2.177 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.061 -2.446 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.758 -0.787 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.600 -0.083 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.407 0.177 -2.071 1.00 0.00 H new ATOM 407 N PHE A 26 -6.748 0.612 0.468 1.00 0.00 N ATOM 408 CA PHE A 26 -5.511 1.189 0.965 1.00 0.00 C ATOM 409 C PHE A 26 -5.764 2.023 2.223 1.00 0.00 C ATOM 410 O PHE A 26 -6.201 3.170 2.135 1.00 0.00 O ATOM 411 CB PHE A 26 -4.968 2.102 -0.136 1.00 0.00 C ATOM 412 CG PHE A 26 -3.457 1.990 -0.347 1.00 0.00 C ATOM 413 CD1 PHE A 26 -2.607 2.726 0.418 1.00 0.00 C ATOM 414 CD2 PHE A 26 -2.963 1.156 -1.302 1.00 0.00 C ATOM 415 CE1 PHE A 26 -1.205 2.623 0.222 1.00 0.00 C ATOM 416 CE2 PHE A 26 -1.560 1.053 -1.497 1.00 0.00 C ATOM 417 CZ PHE A 26 -0.711 1.789 -0.731 1.00 0.00 C ATOM 0 H PHE A 26 -7.534 1.261 0.423 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.807 0.397 1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.474 1.866 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.215 3.135 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.999 3.389 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.637 0.573 -1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.531 3.207 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.167 0.390 -2.254 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.356 1.711 -0.880 1.00 0.00 H new ATOM 427 N GLN A 27 -5.477 1.415 3.365 1.00 0.00 N ATOM 428 CA GLN A 27 -5.668 2.088 4.639 1.00 0.00 C ATOM 429 C GLN A 27 -4.368 2.760 5.083 1.00 0.00 C ATOM 430 O GLN A 27 -3.279 2.282 4.773 1.00 0.00 O ATOM 431 CB GLN A 27 -6.172 1.112 5.704 1.00 0.00 C ATOM 432 CG GLN A 27 -7.672 0.853 5.544 1.00 0.00 C ATOM 433 CD GLN A 27 -8.176 -0.123 6.609 1.00 0.00 C ATOM 434 OE1 GLN A 27 -8.633 0.261 7.674 1.00 0.00 O ATOM 435 NE2 GLN A 27 -8.069 -1.403 6.265 1.00 0.00 N ATOM 0 H GLN A 27 -5.114 0.464 3.435 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.428 2.859 4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.627 0.171 5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.973 1.516 6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.217 1.794 5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.871 0.449 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.677 -1.656 5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.379 -2.132 6.908 1.00 0.00 H new ATOM 444 N ILE A 28 -4.525 3.860 5.806 1.00 0.00 N ATOM 445 CA ILE A 28 -3.377 4.603 6.296 1.00 0.00 C ATOM 446 C ILE A 28 -3.308 4.480 7.819 1.00 0.00 C ATOM 447 O ILE A 28 -4.315 4.206 8.470 1.00 0.00 O ATOM 448 CB ILE A 28 -3.422 6.050 5.798 1.00 0.00 C ATOM 449 CG1 ILE A 28 -2.104 6.771 6.086 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.624 6.795 6.385 1.00 0.00 C ATOM 451 CD1 ILE A 28 -1.375 7.120 4.788 1.00 0.00 C ATOM 0 H ILE A 28 -5.430 4.254 6.064 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.453 4.182 5.899 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.550 6.035 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.300 7.681 6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.468 6.139 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.632 7.820 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.544 6.294 6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.552 6.802 7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.441 7.632 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.159 6.206 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.004 7.771 4.181 1.00 0.00 H new ATOM 463 N LEU A 29 -2.109 4.687 8.344 1.00 0.00 N ATOM 464 CA LEU A 29 -1.895 4.602 9.779 1.00 0.00 C ATOM 465 C LEU A 29 -0.508 5.152 10.117 1.00 0.00 C ATOM 466 O LEU A 29 -0.386 6.139 10.841 1.00 0.00 O ATOM 467 CB LEU A 29 -2.128 3.173 10.271 1.00 0.00 C ATOM 468 CG LEU A 29 -2.594 3.030 11.722 1.00 0.00 C ATOM 469 CD1 LEU A 29 -4.012 2.460 11.789 1.00 0.00 C ATOM 470 CD2 LEU A 29 -1.602 2.197 12.537 1.00 0.00 C ATOM 0 H LEU A 29 -1.276 4.913 7.801 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.620 5.219 10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.869 2.704 9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.201 2.613 10.151 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.625 4.023 12.170 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.319 2.369 12.831 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.697 3.127 11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.032 1.477 11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.957 2.111 13.564 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.515 1.203 12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.626 2.683 12.530 1.00 0.00 H new ATOM 482 N ASN A 30 0.504 4.488 9.578 1.00 0.00 N ATOM 483 CA ASN A 30 1.878 4.898 9.812 1.00 0.00 C ATOM 484 C ASN A 30 2.176 6.158 9.000 1.00 0.00 C ATOM 485 O ASN A 30 1.851 6.230 7.815 1.00 0.00 O ATOM 486 CB ASN A 30 2.859 3.809 9.373 1.00 0.00 C ATOM 487 CG ASN A 30 4.168 3.902 10.160 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.238 4.118 9.613 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.026 3.726 11.471 1.00 0.00 N ATOM 0 H ASN A 30 0.400 3.669 8.980 1.00 0.00 H new ATOM 0 HA ASN A 30 1.997 5.083 10.880 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.409 2.827 9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.064 3.907 8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.841 3.768 12.083 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.102 3.549 11.865 1.00 0.00 H new ATOM 496 N SER A 31 2.791 7.123 9.667 1.00 0.00 N ATOM 497 CA SER A 31 3.137 8.377 9.022 1.00 0.00 C ATOM 498 C SER A 31 4.097 9.175 9.908 1.00 0.00 C ATOM 499 O SER A 31 3.676 10.077 10.630 1.00 0.00 O ATOM 500 CB SER A 31 1.886 9.204 8.717 1.00 0.00 C ATOM 501 OG SER A 31 0.981 9.227 9.818 1.00 0.00 O ATOM 0 H SER A 31 3.059 7.061 10.649 1.00 0.00 H new ATOM 0 HA SER A 31 3.629 8.150 8.076 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.178 10.224 8.466 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.383 8.792 7.842 1.00 0.00 H new ATOM 0 HG SER A 31 1.446 9.554 10.617 1.00 0.00 H new ATOM 507 N SER A 32 5.368 8.813 9.823 1.00 0.00 N ATOM 508 CA SER A 32 6.392 9.483 10.608 1.00 0.00 C ATOM 509 C SER A 32 7.078 10.559 9.763 1.00 0.00 C ATOM 510 O SER A 32 6.893 11.752 10.001 1.00 0.00 O ATOM 511 CB SER A 32 7.423 8.484 11.136 1.00 0.00 C ATOM 512 OG SER A 32 6.841 7.215 11.417 1.00 0.00 O ATOM 0 H SER A 32 5.713 8.064 9.223 1.00 0.00 H new ATOM 0 HA SER A 32 5.912 9.955 11.466 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.220 8.363 10.402 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.882 8.881 12.042 1.00 0.00 H new ATOM 0 HG SER A 32 7.532 6.605 11.750 1.00 0.00 H new ATOM 518 N GLU A 33 7.856 10.098 8.795 1.00 0.00 N ATOM 519 CA GLU A 33 8.571 11.006 7.914 1.00 0.00 C ATOM 520 C GLU A 33 8.148 10.778 6.461 1.00 0.00 C ATOM 521 O GLU A 33 6.981 10.953 6.116 1.00 0.00 O ATOM 522 CB GLU A 33 10.085 10.849 8.076 1.00 0.00 C ATOM 523 CG GLU A 33 10.503 11.045 9.534 1.00 0.00 C ATOM 524 CD GLU A 33 11.830 10.342 9.824 1.00 0.00 C ATOM 525 OE1 GLU A 33 11.836 9.221 10.353 1.00 0.00 O ATOM 526 OE2 GLU A 33 12.883 11.002 9.476 1.00 0.00 O ATOM 0 H GLU A 33 8.007 9.108 8.601 1.00 0.00 H new ATOM 0 HA GLU A 33 8.314 12.028 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.390 9.859 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.599 11.575 7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.597 12.109 9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.729 10.654 10.194 1.00 0.00 H new ATOM 534 N GLY A 34 9.121 10.393 5.649 1.00 0.00 N ATOM 535 CA GLY A 34 8.866 10.139 4.241 1.00 0.00 C ATOM 536 C GLY A 34 9.765 9.021 3.713 1.00 0.00 C ATOM 537 O GLY A 34 10.955 9.232 3.484 1.00 0.00 O ATOM 0 H GLY A 34 10.088 10.251 5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.820 9.866 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.037 11.050 3.667 1.00 0.00 H new ATOM 541 N ASP A 35 9.162 7.855 3.535 1.00 0.00 N ATOM 542 CA ASP A 35 9.894 6.702 3.037 1.00 0.00 C ATOM 543 C ASP A 35 8.902 5.647 2.545 1.00 0.00 C ATOM 544 O ASP A 35 8.670 5.520 1.344 1.00 0.00 O ATOM 545 CB ASP A 35 10.746 6.072 4.141 1.00 0.00 C ATOM 546 CG ASP A 35 12.164 5.683 3.720 1.00 0.00 C ATOM 547 OD1 ASP A 35 12.431 4.523 3.370 1.00 0.00 O ATOM 548 OD2 ASP A 35 13.028 6.640 3.762 1.00 0.00 O ATOM 0 H ASP A 35 8.175 7.683 3.727 1.00 0.00 H new ATOM 0 HA ASP A 35 10.543 7.038 2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.810 6.772 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.236 5.182 4.510 1.00 0.00 H new ATOM 554 N TRP A 36 8.341 4.917 3.499 1.00 0.00 N ATOM 555 CA TRP A 36 7.379 3.877 3.177 1.00 0.00 C ATOM 556 C TRP A 36 6.110 4.140 3.989 1.00 0.00 C ATOM 557 O TRP A 36 6.172 4.701 5.082 1.00 0.00 O ATOM 558 CB TRP A 36 7.970 2.488 3.426 1.00 0.00 C ATOM 559 CG TRP A 36 9.158 2.146 2.525 1.00 0.00 C ATOM 560 CD1 TRP A 36 9.398 2.575 1.278 1.00 0.00 C ATOM 561 CD2 TRP A 36 10.265 1.281 2.852 1.00 0.00 C ATOM 562 NE1 TRP A 36 10.574 2.053 0.780 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.118 1.240 1.769 1.00 0.00 C ATOM 564 CE3 TRP A 36 10.538 0.557 4.027 1.00 0.00 C ATOM 565 CZ2 TRP A 36 12.300 0.490 1.750 1.00 0.00 C ATOM 566 CZ3 TRP A 36 11.723 -0.188 3.993 1.00 0.00 C ATOM 567 CH2 TRP A 36 12.592 -0.240 2.909 1.00 0.00 C ATOM 0 H TRP A 36 8.535 5.026 4.495 1.00 0.00 H new ATOM 0 HA TRP A 36 7.126 3.900 2.117 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.286 2.420 4.467 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.190 1.741 3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.752 3.246 0.731 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.971 2.230 -0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 36 9.885 0.574 4.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 12.951 0.475 0.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 11.980 -0.763 4.871 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.488 -0.841 2.960 1.00 0.00 H new ATOM 578 N TRP A 37 4.986 3.724 3.423 1.00 0.00 N ATOM 579 CA TRP A 37 3.703 3.908 4.080 1.00 0.00 C ATOM 580 C TRP A 37 3.063 2.530 4.260 1.00 0.00 C ATOM 581 O TRP A 37 3.160 1.676 3.381 1.00 0.00 O ATOM 582 CB TRP A 37 2.819 4.880 3.296 1.00 0.00 C ATOM 583 CG TRP A 37 3.010 6.348 3.686 1.00 0.00 C ATOM 584 CD1 TRP A 37 2.486 6.997 4.735 1.00 0.00 C ATOM 585 CD2 TRP A 37 3.805 7.328 2.986 1.00 0.00 C ATOM 586 NE1 TRP A 37 2.882 8.318 4.762 1.00 0.00 N ATOM 587 CE2 TRP A 37 3.710 8.525 3.664 1.00 0.00 C ATOM 588 CE3 TRP A 37 4.579 7.206 1.819 1.00 0.00 C ATOM 589 CZ2 TRP A 37 4.364 9.693 3.253 1.00 0.00 C ATOM 590 CZ3 TRP A 37 5.225 8.382 1.420 1.00 0.00 C ATOM 591 CH2 TRP A 37 5.140 9.596 2.092 1.00 0.00 C ATOM 0 H TRP A 37 4.938 3.260 2.516 1.00 0.00 H new ATOM 0 HA TRP A 37 3.834 4.363 5.062 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.027 4.767 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.774 4.608 3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.835 6.543 5.467 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.617 9.014 5.459 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.668 6.278 1.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.275 10.619 3.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.832 8.343 0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.670 10.460 1.720 1.00 0.00 H new ATOM 602 N GLU A 38 2.421 2.357 5.406 1.00 0.00 N ATOM 603 CA GLU A 38 1.765 1.098 5.714 1.00 0.00 C ATOM 604 C GLU A 38 0.386 1.044 5.052 1.00 0.00 C ATOM 605 O GLU A 38 -0.424 1.954 5.221 1.00 0.00 O ATOM 606 CB GLU A 38 1.656 0.891 7.226 1.00 0.00 C ATOM 607 CG GLU A 38 2.374 -0.389 7.657 1.00 0.00 C ATOM 608 CD GLU A 38 2.022 -0.756 9.100 1.00 0.00 C ATOM 609 OE1 GLU A 38 2.808 -0.483 10.018 1.00 0.00 O ATOM 610 OE2 GLU A 38 0.884 -1.346 9.251 1.00 0.00 O ATOM 0 H GLU A 38 2.341 3.068 6.133 1.00 0.00 H new ATOM 0 HA GLU A 38 2.372 0.286 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.087 1.747 7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.606 0.838 7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.097 -1.207 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.452 -0.254 7.565 1.00 0.00 H new ATOM 618 N ALA A 39 0.161 -0.034 4.314 1.00 0.00 N ATOM 619 CA ALA A 39 -1.106 -0.219 3.626 1.00 0.00 C ATOM 620 C ALA A 39 -1.770 -1.502 4.128 1.00 0.00 C ATOM 621 O ALA A 39 -1.658 -2.552 3.496 1.00 0.00 O ATOM 622 CB ALA A 39 -0.867 -0.238 2.115 1.00 0.00 C ATOM 0 H ALA A 39 0.834 -0.788 4.178 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.784 0.608 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.817 -0.377 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.420 0.707 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.194 -1.058 1.863 1.00 0.00 H new ATOM 628 N ARG A 40 -2.447 -1.377 5.260 1.00 0.00 N ATOM 629 CA ARG A 40 -3.130 -2.513 5.853 1.00 0.00 C ATOM 630 C ARG A 40 -4.382 -2.862 5.046 1.00 0.00 C ATOM 631 O ARG A 40 -5.197 -1.988 4.750 1.00 0.00 O ATOM 632 CB ARG A 40 -3.529 -2.222 7.302 1.00 0.00 C ATOM 633 CG ARG A 40 -3.185 -3.401 8.213 1.00 0.00 C ATOM 634 CD ARG A 40 -1.865 -3.159 8.948 1.00 0.00 C ATOM 635 NE ARG A 40 -2.083 -3.202 10.410 1.00 0.00 N ATOM 636 CZ ARG A 40 -1.770 -4.259 11.191 1.00 0.00 C ATOM 637 NH1 ARG A 40 -1.222 -5.369 10.653 1.00 0.00 N ATOM 638 NH2 ARG A 40 -2.008 -4.190 12.487 1.00 0.00 N ATOM 0 H ARG A 40 -2.537 -0.505 5.782 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.440 -3.357 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.016 -1.326 7.651 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.598 -2.017 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.986 -3.552 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.114 -4.314 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.135 -3.915 8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.453 -2.191 8.662 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.495 -2.383 10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.041 -5.414 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.988 -6.163 11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.422 -3.347 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.778 -4.979 13.091 1.00 0.00 H new ATOM 651 N SER A 41 -4.497 -4.139 4.713 1.00 0.00 N ATOM 652 CA SER A 41 -5.637 -4.613 3.946 1.00 0.00 C ATOM 653 C SER A 41 -6.747 -5.076 4.891 1.00 0.00 C ATOM 654 O SER A 41 -6.473 -5.685 5.924 1.00 0.00 O ATOM 655 CB SER A 41 -5.233 -5.748 3.004 1.00 0.00 C ATOM 656 OG SER A 41 -6.085 -5.825 1.865 1.00 0.00 O ATOM 0 H SER A 41 -3.820 -4.860 4.960 1.00 0.00 H new ATOM 0 HA SER A 41 -6.008 -3.788 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.204 -5.599 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.262 -6.695 3.543 1.00 0.00 H new ATOM 0 HG SER A 41 -5.793 -6.561 1.287 1.00 0.00 H new ATOM 662 N LEU A 42 -7.977 -4.772 4.503 1.00 0.00 N ATOM 663 CA LEU A 42 -9.129 -5.149 5.302 1.00 0.00 C ATOM 664 C LEU A 42 -9.765 -6.409 4.710 1.00 0.00 C ATOM 665 O LEU A 42 -10.888 -6.766 5.062 1.00 0.00 O ATOM 666 CB LEU A 42 -10.099 -3.974 5.433 1.00 0.00 C ATOM 667 CG LEU A 42 -10.714 -3.464 4.128 1.00 0.00 C ATOM 668 CD1 LEU A 42 -12.201 -3.818 4.047 1.00 0.00 C ATOM 669 CD2 LEU A 42 -10.473 -1.963 3.958 1.00 0.00 C ATOM 0 H LEU A 42 -8.200 -4.268 3.645 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.823 -5.394 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.908 -4.269 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.575 -3.147 5.912 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.217 -3.966 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.614 -3.444 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.320 -4.901 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.730 -3.362 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.920 -1.626 3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.926 -1.425 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.401 -1.766 3.939 1.00 0.00 H new ATOM 681 N THR A 43 -9.019 -7.046 3.819 1.00 0.00 N ATOM 682 CA THR A 43 -9.496 -8.258 3.175 1.00 0.00 C ATOM 683 C THR A 43 -8.715 -9.473 3.679 1.00 0.00 C ATOM 684 O THR A 43 -9.182 -10.192 4.562 1.00 0.00 O ATOM 685 CB THR A 43 -9.396 -8.058 1.661 1.00 0.00 C ATOM 686 OG1 THR A 43 -9.104 -6.672 1.512 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.744 -8.232 0.957 1.00 0.00 C ATOM 0 H THR A 43 -8.089 -6.746 3.528 1.00 0.00 H new ATOM 0 HA THR A 43 -10.539 -8.455 3.425 1.00 0.00 H new ATOM 0 HB THR A 43 -8.677 -8.766 1.249 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.134 -6.536 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.617 -8.080 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.122 -9.238 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.454 -7.502 1.346 1.00 0.00 H new ATOM 695 N THR A 44 -7.540 -9.666 3.098 1.00 0.00 N ATOM 696 CA THR A 44 -6.691 -10.782 3.478 1.00 0.00 C ATOM 697 C THR A 44 -5.924 -10.455 4.761 1.00 0.00 C ATOM 698 O THR A 44 -5.861 -11.275 5.676 1.00 0.00 O ATOM 699 CB THR A 44 -5.781 -11.107 2.292 1.00 0.00 C ATOM 700 OG1 THR A 44 -6.492 -10.613 1.161 1.00 0.00 O ATOM 701 CG2 THR A 44 -5.670 -12.612 2.034 1.00 0.00 C ATOM 0 H THR A 44 -7.156 -9.068 2.367 1.00 0.00 H new ATOM 0 HA THR A 44 -7.281 -11.669 3.707 1.00 0.00 H new ATOM 0 HB THR A 44 -4.788 -10.695 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.971 -10.781 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.013 -12.788 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.259 -13.103 2.916 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.658 -13.018 1.820 1.00 0.00 H new ATOM 709 N GLY A 45 -5.361 -9.257 4.788 1.00 0.00 N ATOM 710 CA GLY A 45 -4.602 -8.811 5.943 1.00 0.00 C ATOM 711 C GLY A 45 -3.107 -9.074 5.750 1.00 0.00 C ATOM 712 O GLY A 45 -2.448 -9.614 6.637 1.00 0.00 O ATOM 0 H GLY A 45 -5.415 -8.580 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.770 -7.746 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.954 -9.328 6.836 1.00 0.00 H new ATOM 716 N GLU A 46 -2.615 -8.677 4.586 1.00 0.00 N ATOM 717 CA GLU A 46 -1.210 -8.862 4.266 1.00 0.00 C ATOM 718 C GLU A 46 -0.437 -7.561 4.497 1.00 0.00 C ATOM 719 O GLU A 46 -0.861 -6.496 4.051 1.00 0.00 O ATOM 720 CB GLU A 46 -1.035 -9.356 2.828 1.00 0.00 C ATOM 721 CG GLU A 46 -2.009 -8.647 1.883 1.00 0.00 C ATOM 722 CD GLU A 46 -1.739 -9.034 0.428 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.940 -8.213 -0.479 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.306 -10.237 0.255 1.00 0.00 O ATOM 0 H GLU A 46 -3.164 -8.228 3.853 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.804 -9.626 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.011 -9.178 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.201 -10.433 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.034 -8.907 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.914 -7.567 2.000 1.00 0.00 H new ATOM 732 N THR A 47 0.684 -7.691 5.192 1.00 0.00 N ATOM 733 CA THR A 47 1.520 -6.540 5.486 1.00 0.00 C ATOM 734 C THR A 47 2.671 -6.445 4.484 1.00 0.00 C ATOM 735 O THR A 47 3.176 -7.464 4.015 1.00 0.00 O ATOM 736 CB THR A 47 1.986 -6.654 6.939 1.00 0.00 C ATOM 737 OG1 THR A 47 2.957 -5.620 7.074 1.00 0.00 O ATOM 738 CG2 THR A 47 2.773 -7.940 7.202 1.00 0.00 C ATOM 0 H THR A 47 1.032 -8.576 5.560 1.00 0.00 H new ATOM 0 HA THR A 47 0.963 -5.609 5.380 1.00 0.00 H new ATOM 0 HB THR A 47 1.121 -6.615 7.602 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.311 -5.621 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.080 -7.971 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.144 -8.803 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.656 -7.963 6.564 1.00 0.00 H new ATOM 746 N GLY A 48 3.053 -5.212 4.184 1.00 0.00 N ATOM 747 CA GLY A 48 4.135 -4.972 3.245 1.00 0.00 C ATOM 748 C GLY A 48 4.491 -3.485 3.187 1.00 0.00 C ATOM 749 O GLY A 48 3.714 -2.640 3.630 1.00 0.00 O ATOM 0 H GLY A 48 2.632 -4.369 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.012 -5.548 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.844 -5.319 2.253 1.00 0.00 H new ATOM 753 N TYR A 49 5.664 -3.210 2.637 1.00 0.00 N ATOM 754 CA TYR A 49 6.131 -1.840 2.515 1.00 0.00 C ATOM 755 C TYR A 49 6.536 -1.525 1.074 1.00 0.00 C ATOM 756 O TYR A 49 7.467 -2.127 0.541 1.00 0.00 O ATOM 757 CB TYR A 49 7.365 -1.734 3.414 1.00 0.00 C ATOM 758 CG TYR A 49 7.047 -1.732 4.910 1.00 0.00 C ATOM 759 CD1 TYR A 49 6.414 -0.647 5.480 1.00 0.00 C ATOM 760 CD2 TYR A 49 7.393 -2.817 5.690 1.00 0.00 C ATOM 761 CE1 TYR A 49 6.114 -0.645 6.888 1.00 0.00 C ATOM 762 CE2 TYR A 49 7.094 -2.815 7.099 1.00 0.00 C ATOM 763 CZ TYR A 49 6.469 -1.729 7.628 1.00 0.00 C ATOM 764 OH TYR A 49 6.186 -1.728 8.959 1.00 0.00 O ATOM 0 H TYR A 49 6.305 -3.913 2.271 1.00 0.00 H new ATOM 0 HA TYR A 49 5.345 -1.140 2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.033 -2.567 3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.905 -0.820 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.143 0.202 4.869 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.888 -3.667 5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.618 0.198 7.346 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.360 -3.657 7.721 1.00 0.00 H new ATOM 0 HH TYR A 49 6.496 -2.567 9.360 1.00 0.00 H new ATOM 774 N ILE A 50 5.817 -0.581 0.484 1.00 0.00 N ATOM 775 CA ILE A 50 6.090 -0.178 -0.885 1.00 0.00 C ATOM 776 C ILE A 50 5.886 1.332 -1.018 1.00 0.00 C ATOM 777 O ILE A 50 4.966 1.892 -0.424 1.00 0.00 O ATOM 778 CB ILE A 50 5.249 -1.001 -1.863 1.00 0.00 C ATOM 779 CG1 ILE A 50 3.871 -1.311 -1.274 1.00 0.00 C ATOM 780 CG2 ILE A 50 5.989 -2.271 -2.289 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.757 -0.849 -2.215 1.00 0.00 C ATOM 0 H ILE A 50 5.046 -0.084 0.929 1.00 0.00 H new ATOM 0 HA ILE A 50 7.129 -0.383 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 50 5.089 -0.405 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.780 -2.382 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.765 -0.817 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.369 -2.838 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.926 -2.000 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.200 -2.881 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.788 -1.081 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.836 0.227 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.852 -1.363 -3.171 1.00 0.00 H new ATOM 793 N PRO A 51 6.782 1.964 -1.823 1.00 0.00 N ATOM 794 CA PRO A 51 6.709 3.399 -2.042 1.00 0.00 C ATOM 795 C PRO A 51 5.461 3.768 -2.845 1.00 0.00 C ATOM 796 O PRO A 51 5.321 3.368 -4.000 1.00 0.00 O ATOM 797 CB PRO A 51 8.002 3.754 -2.756 1.00 0.00 C ATOM 798 CG PRO A 51 8.536 2.449 -3.324 1.00 0.00 C ATOM 799 CD PRO A 51 7.779 1.309 -2.664 1.00 0.00 C ATOM 0 HA PRO A 51 6.615 3.962 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.824 4.481 -3.548 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.718 4.202 -2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.402 2.420 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.605 2.359 -3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.309 0.664 -3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.445 0.681 -2.072 1.00 0.00 H new ATOM 807 N SER A 52 4.585 4.528 -2.203 1.00 0.00 N ATOM 808 CA SER A 52 3.354 4.956 -2.843 1.00 0.00 C ATOM 809 C SER A 52 3.500 6.392 -3.352 1.00 0.00 C ATOM 810 O SER A 52 2.890 7.312 -2.810 1.00 0.00 O ATOM 811 CB SER A 52 2.169 4.852 -1.881 1.00 0.00 C ATOM 812 OG SER A 52 1.326 3.745 -2.190 1.00 0.00 O ATOM 0 H SER A 52 4.704 4.858 -1.245 1.00 0.00 H new ATOM 0 HA SER A 52 3.161 4.296 -3.688 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.538 4.753 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.587 5.773 -1.921 1.00 0.00 H new ATOM 0 HG SER A 52 0.849 3.462 -1.382 1.00 0.00 H new ATOM 818 N ASN A 53 4.312 6.537 -4.389 1.00 0.00 N ATOM 819 CA ASN A 53 4.546 7.845 -4.977 1.00 0.00 C ATOM 820 C ASN A 53 3.742 7.968 -6.273 1.00 0.00 C ATOM 821 O ASN A 53 3.719 9.028 -6.897 1.00 0.00 O ATOM 822 CB ASN A 53 6.025 8.038 -5.320 1.00 0.00 C ATOM 823 CG ASN A 53 6.913 7.712 -4.118 1.00 0.00 C ATOM 824 OD1 ASN A 53 7.150 6.564 -3.781 1.00 0.00 O ATOM 825 ND2 ASN A 53 7.391 8.784 -3.491 1.00 0.00 N ATOM 0 H ASN A 53 4.816 5.771 -4.837 1.00 0.00 H new ATOM 0 HA ASN A 53 4.242 8.600 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.294 7.397 -6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.198 9.067 -5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.995 8.672 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.154 9.718 -3.825 1.00 0.00 H new ATOM 832 N TYR A 54 3.100 6.868 -6.640 1.00 0.00 N ATOM 833 CA TYR A 54 2.296 6.839 -7.850 1.00 0.00 C ATOM 834 C TYR A 54 0.831 6.538 -7.528 1.00 0.00 C ATOM 835 O TYR A 54 0.264 5.575 -8.042 1.00 0.00 O ATOM 836 CB TYR A 54 2.861 5.704 -8.706 1.00 0.00 C ATOM 837 CG TYR A 54 3.991 6.135 -9.643 1.00 0.00 C ATOM 838 CD1 TYR A 54 3.787 7.165 -10.540 1.00 0.00 C ATOM 839 CD2 TYR A 54 5.212 5.495 -9.593 1.00 0.00 C ATOM 840 CE1 TYR A 54 4.850 7.571 -11.423 1.00 0.00 C ATOM 841 CE2 TYR A 54 6.275 5.900 -10.477 1.00 0.00 C ATOM 842 CZ TYR A 54 6.042 6.919 -11.347 1.00 0.00 C ATOM 843 OH TYR A 54 7.045 7.301 -12.181 1.00 0.00 O ATOM 0 H TYR A 54 3.120 5.990 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 54 2.333 7.803 -8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.228 4.915 -8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.054 5.274 -9.300 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.831 7.666 -10.579 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.371 4.690 -8.891 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.704 8.375 -12.129 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.235 5.406 -10.449 1.00 0.00 H new ATOM 0 HH TYR A 54 7.837 6.749 -12.014 1.00 0.00 H new ATOM 853 N VAL A 55 0.260 7.379 -6.678 1.00 0.00 N ATOM 854 CA VAL A 55 -1.129 7.214 -6.280 1.00 0.00 C ATOM 855 C VAL A 55 -1.892 8.511 -6.562 1.00 0.00 C ATOM 856 O VAL A 55 -1.314 9.483 -7.044 1.00 0.00 O ATOM 857 CB VAL A 55 -1.206 6.780 -4.816 1.00 0.00 C ATOM 858 CG1 VAL A 55 -1.062 5.263 -4.685 1.00 0.00 C ATOM 859 CG2 VAL A 55 -0.154 7.505 -3.973 1.00 0.00 C ATOM 0 H VAL A 55 0.733 8.177 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.603 6.424 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.189 7.057 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.120 4.981 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.864 4.772 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.099 4.953 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.230 7.178 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.841 7.273 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.322 8.581 -4.028 1.00 0.00 H new ATOM 869 N ALA A 56 -3.179 8.481 -6.248 1.00 0.00 N ATOM 870 CA ALA A 56 -4.027 9.642 -6.460 1.00 0.00 C ATOM 871 C ALA A 56 -4.800 9.946 -5.175 1.00 0.00 C ATOM 872 O ALA A 56 -5.139 9.035 -4.421 1.00 0.00 O ATOM 873 CB ALA A 56 -4.954 9.385 -7.651 1.00 0.00 C ATOM 0 H ALA A 56 -3.655 7.672 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.425 10.519 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.591 10.255 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.357 9.203 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.576 8.513 -7.447 1.00 0.00 H new ATOM 879 N PRO A 57 -5.061 11.263 -4.960 1.00 0.00 N ATOM 880 CA PRO A 57 -5.786 11.698 -3.778 1.00 0.00 C ATOM 881 C PRO A 57 -7.296 11.685 -4.027 1.00 0.00 C ATOM 882 O PRO A 57 -7.870 12.690 -4.441 1.00 0.00 O ATOM 883 CB PRO A 57 -5.247 13.086 -3.475 1.00 0.00 C ATOM 884 CG PRO A 57 -4.581 13.564 -4.756 1.00 0.00 C ATOM 885 CD PRO A 57 -4.417 12.363 -5.672 1.00 0.00 C ATOM 0 HA PRO A 57 -5.640 11.034 -2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.050 13.760 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.534 13.057 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.187 14.332 -5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.612 14.013 -4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.886 12.537 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.365 12.150 -5.861 1.00 0.00 H new ATOM 893 N VAL A 58 -7.897 10.534 -3.763 1.00 0.00 N ATOM 894 CA VAL A 58 -9.328 10.375 -3.953 1.00 0.00 C ATOM 895 C VAL A 58 -10.016 10.317 -2.587 1.00 0.00 C ATOM 896 O VAL A 58 -9.445 9.813 -1.622 1.00 0.00 O ATOM 897 CB VAL A 58 -9.610 9.144 -4.817 1.00 0.00 C ATOM 898 CG1 VAL A 58 -9.072 9.336 -6.236 1.00 0.00 C ATOM 899 CG2 VAL A 58 -9.029 7.881 -4.176 1.00 0.00 C ATOM 0 H VAL A 58 -7.418 9.702 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.739 11.231 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.691 9.020 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.285 8.447 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.552 10.201 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.995 9.497 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.243 7.020 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.950 7.992 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.480 7.731 -3.195 1.00 0.00 H new ATOM 909 N ASP A 59 -11.232 10.842 -2.550 1.00 0.00 N ATOM 910 CA ASP A 59 -12.004 10.856 -1.319 1.00 0.00 C ATOM 911 C ASP A 59 -13.222 9.943 -1.474 1.00 0.00 C ATOM 912 O ASP A 59 -13.265 9.108 -2.377 1.00 0.00 O ATOM 913 CB ASP A 59 -12.507 12.264 -1.001 1.00 0.00 C ATOM 914 CG ASP A 59 -11.788 12.963 0.155 1.00 0.00 C ATOM 915 OD1 ASP A 59 -12.413 13.657 0.970 1.00 0.00 O ATOM 916 OD2 ASP A 59 -10.514 12.769 0.201 1.00 0.00 O ATOM 0 H ASP A 59 -11.702 11.261 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.357 10.513 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.408 12.879 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.570 12.209 -0.768 1.00 0.00 H new TER 922 ASP A 59