USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 430 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 Single : A 2 THR OG1 : rot -32:sc= 0.528 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= 0.00702 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.0619 (180deg=-0.455) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.3!) USER MOD Single : A 31 SER OG : rot 124:sc= 0.0379 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -156:sc= 0.506 USER MOD Single : A 43 THR OG1 : rot -130:sc= 0.00364 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 47 THR OG1 : rot 79:sc= 0.065 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 60:sc= 0.477 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 -9.149 10.353 2.721 1.00 0.00 N ATOM 18 CA THR A 2 -8.713 9.269 3.585 1.00 0.00 C ATOM 19 C THR A 2 -8.994 7.917 2.928 1.00 0.00 C ATOM 20 O THR A 2 -9.341 6.952 3.609 1.00 0.00 O ATOM 21 CB THR A 2 -9.402 9.441 4.941 1.00 0.00 C ATOM 22 OG1 THR A 2 -10.778 9.605 4.612 1.00 0.00 O ATOM 23 CG2 THR A 2 -9.022 10.754 5.628 1.00 0.00 C ATOM 0 HA THR A 2 -7.635 9.299 3.745 1.00 0.00 H new ATOM 0 HB THR A 2 -9.142 8.605 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.856 10.053 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.538 10.826 6.585 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.945 10.780 5.793 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.312 11.593 4.995 1.00 0.00 H new ATOM 31 N LEU A 3 -8.833 7.889 1.613 1.00 0.00 N ATOM 32 CA LEU A 3 -9.064 6.671 0.857 1.00 0.00 C ATOM 33 C LEU A 3 -8.071 6.600 -0.305 1.00 0.00 C ATOM 34 O LEU A 3 -8.129 7.414 -1.226 1.00 0.00 O ATOM 35 CB LEU A 3 -10.528 6.580 0.421 1.00 0.00 C ATOM 36 CG LEU A 3 -10.997 5.212 -0.079 1.00 0.00 C ATOM 37 CD1 LEU A 3 -11.267 4.264 1.091 1.00 0.00 C ATOM 38 CD2 LEU A 3 -12.213 5.350 -0.997 1.00 0.00 C ATOM 0 H LEU A 3 -8.545 8.691 1.052 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.887 5.796 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.156 6.871 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.697 7.311 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.195 4.772 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.599 3.299 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.353 4.130 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.042 4.687 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.525 4.363 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.030 5.821 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.951 5.965 -1.858 1.00 0.00 H new ATOM 50 N PHE A 4 -7.184 5.620 -0.225 1.00 0.00 N ATOM 51 CA PHE A 4 -6.180 5.433 -1.258 1.00 0.00 C ATOM 52 C PHE A 4 -6.585 4.315 -2.221 1.00 0.00 C ATOM 53 O PHE A 4 -6.689 3.156 -1.823 1.00 0.00 O ATOM 54 CB PHE A 4 -4.881 5.036 -0.553 1.00 0.00 C ATOM 55 CG PHE A 4 -3.969 6.217 -0.216 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.169 6.927 0.927 1.00 0.00 C ATOM 57 CD2 PHE A 4 -2.959 6.559 -1.061 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.323 8.023 1.239 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.113 7.656 -0.748 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.313 8.366 0.395 1.00 0.00 C ATOM 0 H PHE A 4 -7.140 4.946 0.540 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.066 6.350 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.127 4.506 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.335 4.338 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.972 6.657 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.801 5.997 -1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.481 8.585 2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.310 7.927 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.671 9.201 0.632 1.00 0.00 H new ATOM 70 N VAL A 5 -6.804 4.703 -3.468 1.00 0.00 N ATOM 71 CA VAL A 5 -7.196 3.748 -4.491 1.00 0.00 C ATOM 72 C VAL A 5 -5.955 3.291 -5.259 1.00 0.00 C ATOM 73 O VAL A 5 -5.098 4.105 -5.602 1.00 0.00 O ATOM 74 CB VAL A 5 -8.267 4.360 -5.396 1.00 0.00 C ATOM 75 CG1 VAL A 5 -9.607 4.465 -4.666 1.00 0.00 C ATOM 76 CG2 VAL A 5 -7.823 5.725 -5.924 1.00 0.00 C ATOM 0 H VAL A 5 -6.718 5.666 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.641 2.863 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.402 3.697 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.351 4.903 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.934 3.471 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.493 5.096 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.602 6.138 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.646 6.399 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.904 5.611 -6.498 1.00 0.00 H new ATOM 86 N ALA A 6 -5.896 1.991 -5.507 1.00 0.00 N ATOM 87 CA ALA A 6 -4.774 1.415 -6.228 1.00 0.00 C ATOM 88 C ALA A 6 -5.118 1.333 -7.716 1.00 0.00 C ATOM 89 O ALA A 6 -6.264 1.072 -8.078 1.00 0.00 O ATOM 90 CB ALA A 6 -4.429 0.050 -5.632 1.00 0.00 C ATOM 0 H ALA A 6 -6.608 1.319 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.890 2.045 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.587 -0.381 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.162 0.168 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.291 -0.612 -5.715 1.00 0.00 H new ATOM 96 N LEU A 7 -4.103 1.559 -8.539 1.00 0.00 N ATOM 97 CA LEU A 7 -4.285 1.513 -9.980 1.00 0.00 C ATOM 98 C LEU A 7 -3.363 0.445 -10.572 1.00 0.00 C ATOM 99 O LEU A 7 -3.817 -0.636 -10.942 1.00 0.00 O ATOM 100 CB LEU A 7 -4.086 2.902 -10.590 1.00 0.00 C ATOM 101 CG LEU A 7 -4.924 3.217 -11.831 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.386 3.470 -11.456 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.323 4.383 -12.617 1.00 0.00 C ATOM 0 H LEU A 7 -3.153 1.774 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.307 1.225 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.309 3.647 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.033 3.016 -10.849 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.906 2.345 -12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.959 3.692 -12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.797 2.583 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.445 4.316 -10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.938 4.586 -13.494 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.290 5.270 -11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.312 4.125 -12.934 1.00 0.00 H new ATOM 115 N TYR A 8 -2.084 0.785 -10.642 1.00 0.00 N ATOM 116 CA TYR A 8 -1.095 -0.131 -11.182 1.00 0.00 C ATOM 117 C TYR A 8 -0.312 -0.818 -10.060 1.00 0.00 C ATOM 118 O TYR A 8 0.024 -0.188 -9.059 1.00 0.00 O ATOM 119 CB TYR A 8 -0.134 0.725 -12.009 1.00 0.00 C ATOM 120 CG TYR A 8 -0.750 1.295 -13.287 1.00 0.00 C ATOM 121 CD1 TYR A 8 -0.837 0.513 -14.421 1.00 0.00 C ATOM 122 CD2 TYR A 8 -1.219 2.594 -13.307 1.00 0.00 C ATOM 123 CE1 TYR A 8 -1.417 1.050 -15.624 1.00 0.00 C ATOM 124 CE2 TYR A 8 -1.799 3.131 -14.511 1.00 0.00 C ATOM 125 CZ TYR A 8 -1.870 2.332 -15.610 1.00 0.00 C ATOM 126 OH TYR A 8 -2.419 2.840 -16.746 1.00 0.00 O ATOM 0 H TYR A 8 -1.710 1.683 -10.333 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.576 -0.909 -11.774 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.225 1.549 -11.392 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.735 0.123 -12.274 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.470 -0.502 -14.406 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.151 3.207 -12.420 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.491 0.448 -16.518 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.169 4.145 -14.541 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.699 3.766 -16.588 1.00 0.00 H new ATOM 136 N ASP A 9 -0.046 -2.099 -10.267 1.00 0.00 N ATOM 137 CA ASP A 9 0.690 -2.877 -9.284 1.00 0.00 C ATOM 138 C ASP A 9 2.085 -3.189 -9.830 1.00 0.00 C ATOM 139 O ASP A 9 2.458 -2.712 -10.901 1.00 0.00 O ATOM 140 CB ASP A 9 -0.012 -4.206 -8.996 1.00 0.00 C ATOM 141 CG ASP A 9 -0.552 -4.932 -10.228 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.034 -5.921 -10.695 1.00 0.00 O ATOM 143 OD2 ASP A 9 -1.638 -4.439 -10.721 1.00 0.00 O ATOM 0 H ASP A 9 -0.326 -2.618 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 9 0.748 -2.293 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.688 -4.865 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.839 -4.022 -8.310 1.00 0.00 H new ATOM 149 N TYR A 10 2.819 -3.987 -9.068 1.00 0.00 N ATOM 150 CA TYR A 10 4.164 -4.369 -9.462 1.00 0.00 C ATOM 151 C TYR A 10 4.586 -5.673 -8.781 1.00 0.00 C ATOM 152 O TYR A 10 4.238 -5.915 -7.627 1.00 0.00 O ATOM 153 CB TYR A 10 5.079 -3.240 -8.984 1.00 0.00 C ATOM 154 CG TYR A 10 5.660 -2.388 -10.116 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.256 -2.997 -11.202 1.00 0.00 C ATOM 156 CD2 TYR A 10 5.587 -1.012 -10.049 1.00 0.00 C ATOM 157 CE1 TYR A 10 6.802 -2.195 -12.266 1.00 0.00 C ATOM 158 CE2 TYR A 10 6.133 -0.211 -11.115 1.00 0.00 C ATOM 159 CZ TYR A 10 6.714 -0.841 -12.170 1.00 0.00 C ATOM 160 OH TYR A 10 7.229 -0.085 -13.176 1.00 0.00 O ATOM 0 H TYR A 10 2.507 -4.379 -8.180 1.00 0.00 H new ATOM 0 HA TYR A 10 4.219 -4.525 -10.539 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.519 -2.594 -8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.899 -3.670 -8.409 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.313 -4.074 -11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.121 -0.536 -9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.271 -2.658 -13.121 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.082 0.867 -11.077 1.00 0.00 H new ATOM 0 HH TYR A 10 7.094 0.864 -12.974 1.00 0.00 H new ATOM 170 N GLU A 11 5.330 -6.477 -9.526 1.00 0.00 N ATOM 171 CA GLU A 11 5.803 -7.750 -9.010 1.00 0.00 C ATOM 172 C GLU A 11 7.305 -7.685 -8.729 1.00 0.00 C ATOM 173 O GLU A 11 8.074 -7.202 -9.560 1.00 0.00 O ATOM 174 CB GLU A 11 5.474 -8.891 -9.975 1.00 0.00 C ATOM 175 CG GLU A 11 4.090 -9.475 -9.682 1.00 0.00 C ATOM 176 CD GLU A 11 3.720 -10.548 -10.708 1.00 0.00 C ATOM 177 OE1 GLU A 11 2.939 -11.460 -10.399 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.277 -10.411 -11.865 1.00 0.00 O ATOM 0 H GLU A 11 5.617 -6.271 -10.483 1.00 0.00 H new ATOM 0 HA GLU A 11 5.287 -7.952 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.509 -8.525 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.228 -9.673 -9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.077 -9.905 -8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.345 -8.680 -9.697 1.00 0.00 H new ATOM 186 N ALA A 12 7.679 -8.177 -7.557 1.00 0.00 N ATOM 187 CA ALA A 12 9.076 -8.180 -7.158 1.00 0.00 C ATOM 188 C ALA A 12 9.384 -9.476 -6.405 1.00 0.00 C ATOM 189 O ALA A 12 8.482 -10.260 -6.119 1.00 0.00 O ATOM 190 CB ALA A 12 9.371 -6.934 -6.319 1.00 0.00 C ATOM 0 H ALA A 12 7.039 -8.576 -6.871 1.00 0.00 H new ATOM 0 HA ALA A 12 9.725 -8.145 -8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.419 -6.937 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.164 -6.041 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.740 -6.936 -5.430 1.00 0.00 H new ATOM 196 N ARG A 13 10.662 -9.660 -6.108 1.00 0.00 N ATOM 197 CA ARG A 13 11.100 -10.847 -5.394 1.00 0.00 C ATOM 198 C ARG A 13 11.810 -10.455 -4.097 1.00 0.00 C ATOM 199 O ARG A 13 12.950 -10.853 -3.864 1.00 0.00 O ATOM 200 CB ARG A 13 12.049 -11.687 -6.252 1.00 0.00 C ATOM 201 CG ARG A 13 11.297 -12.359 -7.402 1.00 0.00 C ATOM 202 CD ARG A 13 12.269 -12.873 -8.466 1.00 0.00 C ATOM 203 NE ARG A 13 11.543 -13.698 -9.458 1.00 0.00 N ATOM 204 CZ ARG A 13 11.794 -15.005 -9.684 1.00 0.00 C ATOM 205 NH1 ARG A 13 12.756 -15.649 -8.989 1.00 0.00 N ATOM 206 NH2 ARG A 13 11.084 -15.645 -10.595 1.00 0.00 N ATOM 0 H ARG A 13 11.408 -9.007 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 13 10.215 -11.440 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.841 -11.054 -6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.529 -12.446 -5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.702 -13.187 -7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.602 -11.649 -7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.754 -12.033 -8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.056 -13.463 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 13 10.807 -13.251 -10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.300 -15.148 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.939 -16.637 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.359 -15.152 -11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.261 -16.633 -10.778 1.00 0.00 H new ATOM 219 N THR A 14 11.105 -9.680 -3.285 1.00 0.00 N ATOM 220 CA THR A 14 11.653 -9.229 -2.017 1.00 0.00 C ATOM 221 C THR A 14 10.651 -9.472 -0.887 1.00 0.00 C ATOM 222 O THR A 14 9.494 -9.806 -1.139 1.00 0.00 O ATOM 223 CB THR A 14 12.053 -7.761 -2.170 1.00 0.00 C ATOM 224 OG1 THR A 14 11.395 -7.344 -3.362 1.00 0.00 O ATOM 225 CG2 THR A 14 13.541 -7.589 -2.485 1.00 0.00 C ATOM 0 H THR A 14 10.159 -9.353 -3.481 1.00 0.00 H new ATOM 0 HA THR A 14 12.544 -9.796 -1.747 1.00 0.00 H new ATOM 0 HB THR A 14 11.812 -7.222 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.599 -6.401 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.772 -6.528 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.136 -8.016 -1.678 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.777 -8.100 -3.419 1.00 0.00 H new ATOM 233 N GLU A 15 11.132 -9.294 0.335 1.00 0.00 N ATOM 234 CA GLU A 15 10.291 -9.489 1.505 1.00 0.00 C ATOM 235 C GLU A 15 9.665 -8.161 1.936 1.00 0.00 C ATOM 236 O GLU A 15 8.758 -8.139 2.767 1.00 0.00 O ATOM 237 CB GLU A 15 11.086 -10.118 2.651 1.00 0.00 C ATOM 238 CG GLU A 15 10.202 -11.046 3.486 1.00 0.00 C ATOM 239 CD GLU A 15 10.408 -12.508 3.085 1.00 0.00 C ATOM 240 OE1 GLU A 15 11.455 -12.853 2.517 1.00 0.00 O ATOM 241 OE2 GLU A 15 9.434 -13.299 3.385 1.00 0.00 O ATOM 0 H GLU A 15 12.092 -9.017 0.540 1.00 0.00 H new ATOM 0 HA GLU A 15 9.488 -10.178 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.930 -10.678 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.498 -9.334 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.433 -10.919 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.155 -10.773 3.354 1.00 0.00 H new ATOM 249 N ASP A 16 10.174 -7.086 1.352 1.00 0.00 N ATOM 250 CA ASP A 16 9.676 -5.757 1.665 1.00 0.00 C ATOM 251 C ASP A 16 8.898 -5.213 0.465 1.00 0.00 C ATOM 252 O ASP A 16 8.775 -4.001 0.299 1.00 0.00 O ATOM 253 CB ASP A 16 10.826 -4.794 1.960 1.00 0.00 C ATOM 254 CG ASP A 16 10.762 -4.109 3.328 1.00 0.00 C ATOM 255 OD1 ASP A 16 10.537 -4.761 4.358 1.00 0.00 O ATOM 256 OD2 ASP A 16 10.957 -2.834 3.309 1.00 0.00 O ATOM 0 H ASP A 16 10.926 -7.108 0.664 1.00 0.00 H new ATOM 0 HA ASP A 16 9.037 -5.834 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.766 -5.341 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.844 -4.026 1.187 1.00 0.00 H new ATOM 262 N ASP A 17 8.394 -6.136 -0.341 1.00 0.00 N ATOM 263 CA ASP A 17 7.632 -5.763 -1.520 1.00 0.00 C ATOM 264 C ASP A 17 6.989 -7.015 -2.122 1.00 0.00 C ATOM 265 O ASP A 17 7.665 -7.815 -2.767 1.00 0.00 O ATOM 266 CB ASP A 17 8.535 -5.137 -2.585 1.00 0.00 C ATOM 267 CG ASP A 17 7.911 -3.975 -3.360 1.00 0.00 C ATOM 268 OD1 ASP A 17 6.747 -3.611 -3.139 1.00 0.00 O ATOM 269 OD2 ASP A 17 8.684 -3.427 -4.235 1.00 0.00 O ATOM 0 H ASP A 17 8.499 -7.141 -0.201 1.00 0.00 H new ATOM 0 HA ASP A 17 6.876 -5.038 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.448 -4.785 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.826 -5.912 -3.294 1.00 0.00 H new ATOM 275 N LEU A 18 5.691 -7.144 -1.892 1.00 0.00 N ATOM 276 CA LEU A 18 4.949 -8.284 -2.404 1.00 0.00 C ATOM 277 C LEU A 18 4.222 -7.878 -3.688 1.00 0.00 C ATOM 278 O LEU A 18 4.333 -6.738 -4.135 1.00 0.00 O ATOM 279 CB LEU A 18 4.023 -8.849 -1.325 1.00 0.00 C ATOM 280 CG LEU A 18 4.590 -9.999 -0.490 1.00 0.00 C ATOM 281 CD1 LEU A 18 4.430 -9.722 1.006 1.00 0.00 C ATOM 282 CD2 LEU A 18 3.960 -11.333 -0.896 1.00 0.00 C ATOM 0 H LEU A 18 5.133 -6.478 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 18 5.628 -9.095 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.746 -8.039 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.106 -9.192 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 18 5.659 -10.072 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.841 -10.555 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.962 -8.807 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.372 -9.607 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.380 -12.134 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.882 -11.288 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.169 -11.529 -1.948 1.00 0.00 H new ATOM 294 N SER A 19 3.494 -8.836 -4.244 1.00 0.00 N ATOM 295 CA SER A 19 2.749 -8.593 -5.468 1.00 0.00 C ATOM 296 C SER A 19 1.363 -8.039 -5.135 1.00 0.00 C ATOM 297 O SER A 19 0.556 -8.716 -4.498 1.00 0.00 O ATOM 298 CB SER A 19 2.625 -9.871 -6.300 1.00 0.00 C ATOM 299 OG SER A 19 3.539 -10.877 -5.873 1.00 0.00 O ATOM 0 H SER A 19 3.404 -9.781 -3.870 1.00 0.00 H new ATOM 0 HA SER A 19 3.294 -7.858 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.607 -10.253 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.806 -9.639 -7.350 1.00 0.00 H new ATOM 0 HG SER A 19 3.427 -11.677 -6.428 1.00 0.00 H new ATOM 305 N PHE A 20 1.127 -6.813 -5.580 1.00 0.00 N ATOM 306 CA PHE A 20 -0.148 -6.161 -5.337 1.00 0.00 C ATOM 307 C PHE A 20 -1.117 -6.403 -6.496 1.00 0.00 C ATOM 308 O PHE A 20 -0.718 -6.890 -7.552 1.00 0.00 O ATOM 309 CB PHE A 20 0.132 -4.660 -5.226 1.00 0.00 C ATOM 310 CG PHE A 20 -0.789 -3.927 -4.249 1.00 0.00 C ATOM 311 CD1 PHE A 20 -0.515 -3.936 -2.918 1.00 0.00 C ATOM 312 CD2 PHE A 20 -1.884 -3.264 -4.712 1.00 0.00 C ATOM 313 CE1 PHE A 20 -1.369 -3.256 -2.010 1.00 0.00 C ATOM 314 CE2 PHE A 20 -2.738 -2.584 -3.806 1.00 0.00 C ATOM 315 CZ PHE A 20 -2.463 -2.593 -2.474 1.00 0.00 C ATOM 0 H PHE A 20 1.798 -6.254 -6.108 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.603 -6.558 -4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.166 -4.516 -4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.032 -4.208 -6.213 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.354 -4.461 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.103 -3.256 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.151 -3.265 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.607 -2.059 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.113 -2.074 -1.785 1.00 0.00 H new ATOM 325 N HIS A 21 -2.373 -6.051 -6.259 1.00 0.00 N ATOM 326 CA HIS A 21 -3.401 -6.224 -7.270 1.00 0.00 C ATOM 327 C HIS A 21 -4.303 -4.988 -7.301 1.00 0.00 C ATOM 328 O HIS A 21 -4.641 -4.436 -6.255 1.00 0.00 O ATOM 329 CB HIS A 21 -4.180 -7.521 -7.036 1.00 0.00 C ATOM 330 CG HIS A 21 -3.465 -8.761 -7.517 1.00 0.00 C ATOM 331 ND1 HIS A 21 -2.810 -9.628 -6.660 1.00 0.00 N ATOM 332 CD2 HIS A 21 -3.310 -9.271 -8.773 1.00 0.00 C ATOM 333 CE1 HIS A 21 -2.287 -10.610 -7.378 1.00 0.00 C ATOM 334 NE2 HIS A 21 -2.598 -10.387 -8.687 1.00 0.00 N ATOM 0 H HIS A 21 -2.701 -5.647 -5.382 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.938 -6.318 -8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -4.385 -7.622 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -5.143 -7.450 -7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.701 -8.839 -9.683 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -1.715 -11.442 -6.994 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.328 -10.981 -9.471 1.00 0.00 H new ATOM 342 N LYS A 22 -4.667 -4.591 -8.511 1.00 0.00 N ATOM 343 CA LYS A 22 -5.523 -3.430 -8.692 1.00 0.00 C ATOM 344 C LYS A 22 -6.907 -3.728 -8.110 1.00 0.00 C ATOM 345 O LYS A 22 -7.410 -4.844 -8.233 1.00 0.00 O ATOM 346 CB LYS A 22 -5.551 -3.009 -10.162 1.00 0.00 C ATOM 347 CG LYS A 22 -5.969 -4.177 -11.059 1.00 0.00 C ATOM 348 CD LYS A 22 -5.968 -3.765 -12.533 1.00 0.00 C ATOM 349 CE LYS A 22 -7.342 -3.989 -13.166 1.00 0.00 C ATOM 350 NZ LYS A 22 -8.372 -3.189 -12.465 1.00 0.00 N ATOM 0 H LYS A 22 -4.385 -5.052 -9.376 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.125 -2.574 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.245 -2.179 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.566 -2.651 -10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.288 -5.015 -10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.964 -4.521 -10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.690 -2.715 -12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.216 -4.340 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.313 -3.712 -14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.602 -5.047 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.135 -2.947 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.763 -3.742 -11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.943 -2.316 -12.097 1.00 0.00 H new ATOM 363 N GLY A 23 -7.484 -2.710 -7.489 1.00 0.00 N ATOM 364 CA GLY A 23 -8.799 -2.847 -6.888 1.00 0.00 C ATOM 365 C GLY A 23 -8.691 -3.087 -5.381 1.00 0.00 C ATOM 366 O GLY A 23 -9.648 -3.532 -4.749 1.00 0.00 O ATOM 0 H GLY A 23 -7.064 -1.786 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.384 -1.947 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.331 -3.676 -7.355 1.00 0.00 H new ATOM 370 N GLU A 24 -7.517 -2.780 -4.847 1.00 0.00 N ATOM 371 CA GLU A 24 -7.272 -2.957 -3.426 1.00 0.00 C ATOM 372 C GLU A 24 -7.035 -1.603 -2.756 1.00 0.00 C ATOM 373 O GLU A 24 -6.309 -0.762 -3.286 1.00 0.00 O ATOM 374 CB GLU A 24 -6.092 -3.902 -3.187 1.00 0.00 C ATOM 375 CG GLU A 24 -6.284 -4.701 -1.896 1.00 0.00 C ATOM 376 CD GLU A 24 -5.373 -5.931 -1.874 1.00 0.00 C ATOM 377 OE1 GLU A 24 -5.453 -6.778 -2.775 1.00 0.00 O ATOM 378 OE2 GLU A 24 -4.561 -5.989 -0.873 1.00 0.00 O ATOM 0 H GLU A 24 -6.726 -2.410 -5.373 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.156 -3.412 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.992 -4.585 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.167 -3.328 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.067 -4.067 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.325 -5.013 -1.808 1.00 0.00 H new ATOM 386 N LYS A 25 -7.659 -1.433 -1.600 1.00 0.00 N ATOM 387 CA LYS A 25 -7.524 -0.194 -0.852 1.00 0.00 C ATOM 388 C LYS A 25 -6.692 -0.451 0.406 1.00 0.00 C ATOM 389 O LYS A 25 -6.569 -1.592 0.851 1.00 0.00 O ATOM 390 CB LYS A 25 -8.901 0.411 -0.567 1.00 0.00 C ATOM 391 CG LYS A 25 -9.551 0.925 -1.852 1.00 0.00 C ATOM 392 CD LYS A 25 -10.528 -0.104 -2.422 1.00 0.00 C ATOM 393 CE LYS A 25 -10.697 0.077 -3.932 1.00 0.00 C ATOM 394 NZ LYS A 25 -12.130 0.054 -4.300 1.00 0.00 N ATOM 0 H LYS A 25 -8.259 -2.132 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.989 0.551 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.543 -0.339 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.802 1.229 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.077 1.858 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.780 1.147 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.166 -1.110 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.495 -0.004 -1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.251 1.022 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.167 -0.715 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.226 0.178 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.546 -0.858 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.627 0.825 -3.810 1.00 0.00 H new ATOM 407 N PHE A 26 -6.143 0.628 0.944 1.00 0.00 N ATOM 408 CA PHE A 26 -5.327 0.533 2.142 1.00 0.00 C ATOM 409 C PHE A 26 -5.698 1.626 3.146 1.00 0.00 C ATOM 410 O PHE A 26 -6.029 2.745 2.756 1.00 0.00 O ATOM 411 CB PHE A 26 -3.872 0.728 1.709 1.00 0.00 C ATOM 412 CG PHE A 26 -2.904 -0.302 2.295 1.00 0.00 C ATOM 413 CD1 PHE A 26 -2.898 -1.577 1.819 1.00 0.00 C ATOM 414 CD2 PHE A 26 -2.051 0.056 3.291 1.00 0.00 C ATOM 415 CE1 PHE A 26 -2.000 -2.532 2.363 1.00 0.00 C ATOM 416 CE2 PHE A 26 -1.154 -0.901 3.834 1.00 0.00 C ATOM 417 CZ PHE A 26 -1.146 -2.174 3.359 1.00 0.00 C ATOM 0 H PHE A 26 -6.247 1.572 0.572 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.483 -0.433 2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.819 0.684 0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.547 1.726 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.576 -1.862 1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.056 1.068 3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.995 -3.544 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.477 -0.617 4.626 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.462 -2.901 3.772 1.00 0.00 H new ATOM 427 N GLN A 27 -5.629 1.264 4.419 1.00 0.00 N ATOM 428 CA GLN A 27 -5.954 2.200 5.482 1.00 0.00 C ATOM 429 C GLN A 27 -4.676 2.708 6.151 1.00 0.00 C ATOM 430 O GLN A 27 -3.755 1.933 6.406 1.00 0.00 O ATOM 431 CB GLN A 27 -6.892 1.561 6.507 1.00 0.00 C ATOM 432 CG GLN A 27 -8.072 0.874 5.816 1.00 0.00 C ATOM 433 CD GLN A 27 -9.100 1.900 5.336 1.00 0.00 C ATOM 434 OE1 GLN A 27 -9.956 2.353 6.078 1.00 0.00 O ATOM 435 NE2 GLN A 27 -8.970 2.238 4.056 1.00 0.00 N ATOM 0 H GLN A 27 -5.353 0.335 4.738 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.474 3.051 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.342 0.834 7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.261 2.324 7.193 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.712 0.291 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.545 0.175 6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.231 1.820 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.610 2.915 3.640 1.00 0.00 H new ATOM 444 N ILE A 28 -4.658 4.006 6.416 1.00 0.00 N ATOM 445 CA ILE A 28 -3.508 4.626 7.050 1.00 0.00 C ATOM 446 C ILE A 28 -3.312 4.023 8.442 1.00 0.00 C ATOM 447 O ILE A 28 -4.281 3.778 9.158 1.00 0.00 O ATOM 448 CB ILE A 28 -3.655 6.149 7.055 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.033 6.565 7.576 1.00 0.00 C ATOM 450 CG2 ILE A 28 -3.366 6.733 5.672 1.00 0.00 C ATOM 451 CD1 ILE A 28 -4.912 7.678 8.620 1.00 0.00 C ATOM 0 H ILE A 28 -5.423 4.646 6.203 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.602 4.418 6.481 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.913 6.561 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.652 6.906 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.535 5.703 8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.478 7.817 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.347 6.482 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.067 6.317 4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.905 7.955 8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.313 7.326 9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.431 8.547 8.171 1.00 0.00 H new ATOM 463 N LEU A 29 -2.051 3.799 8.782 1.00 0.00 N ATOM 464 CA LEU A 29 -1.715 3.228 10.076 1.00 0.00 C ATOM 465 C LEU A 29 -0.413 3.853 10.581 1.00 0.00 C ATOM 466 O LEU A 29 -0.438 4.782 11.388 1.00 0.00 O ATOM 467 CB LEU A 29 -1.672 1.701 9.993 1.00 0.00 C ATOM 468 CG LEU A 29 -2.705 0.955 10.840 1.00 0.00 C ATOM 469 CD1 LEU A 29 -3.942 0.601 10.010 1.00 0.00 C ATOM 470 CD2 LEU A 29 -2.086 -0.278 11.499 1.00 0.00 C ATOM 0 H LEU A 29 -1.250 4.002 8.184 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.487 3.463 10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.806 1.409 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.678 1.368 10.291 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.033 1.618 11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.661 0.071 10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.397 1.515 9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.650 -0.035 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.841 -0.790 12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.712 -0.953 10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.262 0.029 12.143 1.00 0.00 H new ATOM 482 N ASN A 30 0.694 3.319 10.087 1.00 0.00 N ATOM 483 CA ASN A 30 2.003 3.813 10.478 1.00 0.00 C ATOM 484 C ASN A 30 2.424 4.936 9.529 1.00 0.00 C ATOM 485 O ASN A 30 2.114 4.898 8.339 1.00 0.00 O ATOM 486 CB ASN A 30 3.056 2.705 10.397 1.00 0.00 C ATOM 487 CG ASN A 30 4.049 2.807 11.556 1.00 0.00 C ATOM 488 OD1 ASN A 30 4.043 3.749 12.332 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.899 1.787 11.631 1.00 0.00 N ATOM 0 H ASN A 30 0.711 2.548 9.419 1.00 0.00 H new ATOM 0 HA ASN A 30 1.935 4.172 11.505 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.567 1.731 10.417 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.590 2.774 9.449 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.601 1.761 12.371 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.849 1.030 10.949 1.00 0.00 H new ATOM 496 N SER A 31 3.125 5.910 10.090 1.00 0.00 N ATOM 497 CA SER A 31 3.592 7.042 9.310 1.00 0.00 C ATOM 498 C SER A 31 4.679 7.797 10.078 1.00 0.00 C ATOM 499 O SER A 31 4.378 8.576 10.982 1.00 0.00 O ATOM 500 CB SER A 31 2.438 7.984 8.961 1.00 0.00 C ATOM 501 OG SER A 31 2.312 8.177 7.554 1.00 0.00 O ATOM 0 H SER A 31 3.381 5.938 11.077 1.00 0.00 H new ATOM 0 HA SER A 31 4.012 6.663 8.378 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.507 7.578 9.356 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.597 8.947 9.446 1.00 0.00 H new ATOM 0 HG SER A 31 1.405 7.937 7.271 1.00 0.00 H new ATOM 507 N SER A 32 5.919 7.538 9.693 1.00 0.00 N ATOM 508 CA SER A 32 7.053 8.183 10.335 1.00 0.00 C ATOM 509 C SER A 32 7.279 9.568 9.729 1.00 0.00 C ATOM 510 O SER A 32 7.319 10.566 10.448 1.00 0.00 O ATOM 511 CB SER A 32 8.318 7.333 10.203 1.00 0.00 C ATOM 512 OG SER A 32 9.028 7.237 11.435 1.00 0.00 O ATOM 0 H SER A 32 6.165 6.890 8.944 1.00 0.00 H new ATOM 0 HA SER A 32 6.829 8.290 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.049 6.334 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.968 7.766 9.443 1.00 0.00 H new ATOM 0 HG SER A 32 9.828 6.685 11.309 1.00 0.00 H new ATOM 518 N GLU A 33 7.421 9.587 8.411 1.00 0.00 N ATOM 519 CA GLU A 33 7.642 10.834 7.700 1.00 0.00 C ATOM 520 C GLU A 33 6.830 10.858 6.403 1.00 0.00 C ATOM 521 O GLU A 33 5.781 11.496 6.334 1.00 0.00 O ATOM 522 CB GLU A 33 9.131 11.049 7.418 1.00 0.00 C ATOM 523 CG GLU A 33 9.514 12.520 7.586 1.00 0.00 C ATOM 524 CD GLU A 33 9.663 13.207 6.227 1.00 0.00 C ATOM 525 OE1 GLU A 33 8.676 13.333 5.486 1.00 0.00 O ATOM 526 OE2 GLU A 33 10.854 13.618 5.951 1.00 0.00 O ATOM 0 H GLU A 33 7.387 8.758 7.818 1.00 0.00 H new ATOM 0 HA GLU A 33 7.303 11.654 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.725 10.435 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.364 10.722 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.753 13.032 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.450 12.595 8.140 1.00 0.00 H new ATOM 534 N GLY A 34 7.346 10.152 5.407 1.00 0.00 N ATOM 535 CA GLY A 34 6.683 10.084 4.116 1.00 0.00 C ATOM 536 C GLY A 34 7.554 9.359 3.088 1.00 0.00 C ATOM 537 O GLY A 34 8.426 9.968 2.470 1.00 0.00 O ATOM 0 H GLY A 34 8.215 9.622 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.730 9.566 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.461 11.091 3.764 1.00 0.00 H new ATOM 541 N ASP A 35 7.289 8.070 2.939 1.00 0.00 N ATOM 542 CA ASP A 35 8.039 7.256 1.997 1.00 0.00 C ATOM 543 C ASP A 35 7.394 5.873 1.899 1.00 0.00 C ATOM 544 O ASP A 35 6.953 5.464 0.826 1.00 0.00 O ATOM 545 CB ASP A 35 9.486 7.071 2.459 1.00 0.00 C ATOM 546 CG ASP A 35 10.497 8.021 1.813 1.00 0.00 C ATOM 547 OD1 ASP A 35 10.879 9.044 2.402 1.00 0.00 O ATOM 548 OD2 ASP A 35 10.902 7.671 0.640 1.00 0.00 O ATOM 0 H ASP A 35 6.566 7.569 3.454 1.00 0.00 H new ATOM 0 HA ASP A 35 8.030 7.763 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.526 7.202 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.790 6.045 2.251 1.00 0.00 H new ATOM 554 N TRP A 36 7.361 5.189 3.033 1.00 0.00 N ATOM 555 CA TRP A 36 6.777 3.859 3.088 1.00 0.00 C ATOM 556 C TRP A 36 5.577 3.908 4.036 1.00 0.00 C ATOM 557 O TRP A 36 5.558 4.699 4.978 1.00 0.00 O ATOM 558 CB TRP A 36 7.821 2.819 3.498 1.00 0.00 C ATOM 559 CG TRP A 36 9.257 3.203 3.139 1.00 0.00 C ATOM 560 CD1 TRP A 36 10.108 3.961 3.843 1.00 0.00 C ATOM 561 CD2 TRP A 36 9.979 2.814 1.952 1.00 0.00 C ATOM 562 NE1 TRP A 36 11.322 4.090 3.199 1.00 0.00 N ATOM 563 CE2 TRP A 36 11.242 3.370 2.012 1.00 0.00 C ATOM 564 CE3 TRP A 36 9.582 2.020 0.863 1.00 0.00 C ATOM 565 CZ2 TRP A 36 12.207 3.191 1.015 1.00 0.00 C ATOM 566 CZ3 TRP A 36 10.557 1.851 -0.126 1.00 0.00 C ATOM 567 CH2 TRP A 36 11.832 2.403 -0.080 1.00 0.00 C ATOM 0 H TRP A 36 7.729 5.530 3.921 1.00 0.00 H new ATOM 0 HA TRP A 36 6.429 3.549 2.103 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.757 2.660 4.574 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.580 1.869 3.020 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.874 4.414 4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 36 12.129 4.617 3.532 1.00 0.00 H new ATOM 0 HE3 TRP A 36 8.600 1.575 0.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 13.188 3.637 1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 10.301 1.249 -0.986 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.530 2.225 -0.885 1.00 0.00 H new ATOM 578 N TRP A 37 4.605 3.053 3.755 1.00 0.00 N ATOM 579 CA TRP A 37 3.405 2.988 4.572 1.00 0.00 C ATOM 580 C TRP A 37 3.258 1.555 5.084 1.00 0.00 C ATOM 581 O TRP A 37 3.455 0.600 4.334 1.00 0.00 O ATOM 582 CB TRP A 37 2.183 3.472 3.789 1.00 0.00 C ATOM 583 CG TRP A 37 1.317 4.480 4.546 1.00 0.00 C ATOM 584 CD1 TRP A 37 0.583 4.274 5.648 1.00 0.00 C ATOM 585 CD2 TRP A 37 1.125 5.872 4.212 1.00 0.00 C ATOM 586 NE1 TRP A 37 -0.066 5.426 6.046 1.00 0.00 N ATOM 587 CE2 TRP A 37 0.274 6.427 5.145 1.00 0.00 C ATOM 588 CE3 TRP A 37 1.653 6.634 3.155 1.00 0.00 C ATOM 589 CZ2 TRP A 37 -0.125 7.770 5.115 1.00 0.00 C ATOM 590 CZ3 TRP A 37 1.245 7.973 3.139 1.00 0.00 C ATOM 591 CH2 TRP A 37 0.388 8.548 4.071 1.00 0.00 C ATOM 0 H TRP A 37 4.624 2.399 2.972 1.00 0.00 H new ATOM 0 HA TRP A 37 3.485 3.656 5.429 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.518 3.925 2.856 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.571 2.611 3.523 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.508 3.326 6.160 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.682 5.524 6.853 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.320 6.219 2.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.792 8.182 5.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.622 8.604 2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.119 9.591 3.989 1.00 0.00 H new ATOM 602 N GLU A 38 2.913 1.448 6.359 1.00 0.00 N ATOM 603 CA GLU A 38 2.737 0.147 6.981 1.00 0.00 C ATOM 604 C GLU A 38 1.330 0.026 7.570 1.00 0.00 C ATOM 605 O GLU A 38 0.936 0.830 8.413 1.00 0.00 O ATOM 606 CB GLU A 38 3.803 -0.099 8.051 1.00 0.00 C ATOM 607 CG GLU A 38 4.066 -1.595 8.229 1.00 0.00 C ATOM 608 CD GLU A 38 3.637 -2.065 9.621 1.00 0.00 C ATOM 609 OE1 GLU A 38 2.722 -1.480 10.218 1.00 0.00 O ATOM 610 OE2 GLU A 38 4.292 -3.078 10.079 1.00 0.00 O ATOM 0 H GLU A 38 2.751 2.242 6.978 1.00 0.00 H new ATOM 0 HA GLU A 38 2.856 -0.619 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.728 0.406 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.479 0.332 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.523 -2.156 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.126 -1.802 8.082 1.00 0.00 H new ATOM 618 N ALA A 39 0.613 -0.986 7.104 1.00 0.00 N ATOM 619 CA ALA A 39 -0.742 -1.221 7.574 1.00 0.00 C ATOM 620 C ALA A 39 -1.205 -2.604 7.108 1.00 0.00 C ATOM 621 O ALA A 39 -0.384 -3.475 6.825 1.00 0.00 O ATOM 622 CB ALA A 39 -1.658 -0.102 7.077 1.00 0.00 C ATOM 0 H ALA A 39 0.944 -1.652 6.406 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.777 -1.210 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.674 -0.279 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.303 0.855 7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.651 -0.083 5.987 1.00 0.00 H new ATOM 628 N ARG A 40 -2.518 -2.762 7.043 1.00 0.00 N ATOM 629 CA ARG A 40 -3.101 -4.023 6.617 1.00 0.00 C ATOM 630 C ARG A 40 -4.063 -3.795 5.450 1.00 0.00 C ATOM 631 O ARG A 40 -4.126 -2.699 4.896 1.00 0.00 O ATOM 632 CB ARG A 40 -3.853 -4.699 7.766 1.00 0.00 C ATOM 633 CG ARG A 40 -2.883 -5.403 8.716 1.00 0.00 C ATOM 634 CD ARG A 40 -2.720 -6.878 8.339 1.00 0.00 C ATOM 635 NE ARG A 40 -4.003 -7.592 8.526 1.00 0.00 N ATOM 636 CZ ARG A 40 -4.503 -7.949 9.728 1.00 0.00 C ATOM 637 NH1 ARG A 40 -3.831 -7.660 10.862 1.00 0.00 N ATOM 638 NH2 ARG A 40 -5.659 -8.585 9.777 1.00 0.00 N ATOM 0 H ARG A 40 -3.196 -2.037 7.278 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.287 -4.674 6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.430 -3.955 8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.564 -5.422 7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.913 -4.907 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.249 -5.324 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.394 -6.963 7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.946 -7.336 8.955 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.543 -7.829 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.939 -7.168 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.216 -7.933 11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.160 -8.799 8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.051 -8.862 10.677 1.00 0.00 H new ATOM 651 N SER A 41 -4.791 -4.849 5.110 1.00 0.00 N ATOM 652 CA SER A 41 -5.748 -4.778 4.020 1.00 0.00 C ATOM 653 C SER A 41 -7.126 -5.235 4.502 1.00 0.00 C ATOM 654 O SER A 41 -7.231 -6.146 5.321 1.00 0.00 O ATOM 655 CB SER A 41 -5.294 -5.629 2.832 1.00 0.00 C ATOM 656 OG SER A 41 -4.532 -4.872 1.894 1.00 0.00 O ATOM 0 H SER A 41 -4.737 -5.757 5.571 1.00 0.00 H new ATOM 0 HA SER A 41 -5.811 -3.742 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.697 -6.466 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.167 -6.051 2.334 1.00 0.00 H new ATOM 0 HG SER A 41 -4.585 -5.295 1.012 1.00 0.00 H new ATOM 662 N LEU A 42 -8.150 -4.580 3.973 1.00 0.00 N ATOM 663 CA LEU A 42 -9.518 -4.906 4.340 1.00 0.00 C ATOM 664 C LEU A 42 -10.066 -5.951 3.366 1.00 0.00 C ATOM 665 O LEU A 42 -11.139 -6.510 3.589 1.00 0.00 O ATOM 666 CB LEU A 42 -10.368 -3.637 4.423 1.00 0.00 C ATOM 667 CG LEU A 42 -10.952 -3.310 5.799 1.00 0.00 C ATOM 668 CD1 LEU A 42 -9.959 -3.652 6.911 1.00 0.00 C ATOM 669 CD2 LEU A 42 -11.410 -1.853 5.868 1.00 0.00 C ATOM 0 H LEU A 42 -8.059 -3.825 3.293 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.551 -5.348 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.758 -2.793 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.190 -3.727 3.713 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.834 -3.932 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.399 -3.410 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.724 -4.716 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.045 -3.074 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.821 -1.647 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.560 -1.195 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.176 -1.676 5.113 1.00 0.00 H new ATOM 681 N THR A 43 -9.304 -6.183 2.307 1.00 0.00 N ATOM 682 CA THR A 43 -9.701 -7.151 1.298 1.00 0.00 C ATOM 683 C THR A 43 -9.145 -8.536 1.639 1.00 0.00 C ATOM 684 O THR A 43 -9.829 -9.543 1.469 1.00 0.00 O ATOM 685 CB THR A 43 -9.240 -6.630 -0.065 1.00 0.00 C ATOM 686 OG1 THR A 43 -8.692 -5.346 0.222 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.410 -6.334 -1.005 1.00 0.00 C ATOM 0 H THR A 43 -8.415 -5.718 2.126 1.00 0.00 H new ATOM 0 HA THR A 43 -10.784 -7.269 1.268 1.00 0.00 H new ATOM 0 HB THR A 43 -8.578 -7.362 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.073 -4.683 -0.391 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.028 -5.967 -1.958 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.983 -7.246 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.054 -5.577 -0.557 1.00 0.00 H new ATOM 695 N THR A 44 -7.908 -8.540 2.115 1.00 0.00 N ATOM 696 CA THR A 44 -7.251 -9.783 2.481 1.00 0.00 C ATOM 697 C THR A 44 -6.670 -9.684 3.893 1.00 0.00 C ATOM 698 O THR A 44 -7.209 -10.267 4.833 1.00 0.00 O ATOM 699 CB THR A 44 -6.202 -10.096 1.413 1.00 0.00 C ATOM 700 OG1 THR A 44 -5.563 -8.845 1.176 1.00 0.00 O ATOM 701 CG2 THR A 44 -6.828 -10.456 0.064 1.00 0.00 C ATOM 0 H THR A 44 -7.344 -7.702 2.255 1.00 0.00 H new ATOM 0 HA THR A 44 -7.960 -10.610 2.513 1.00 0.00 H new ATOM 0 HB THR A 44 -5.574 -10.919 1.753 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.866 -8.957 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.039 -10.669 -0.658 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.461 -11.336 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.430 -9.620 -0.292 1.00 0.00 H new ATOM 709 N GLY A 45 -5.579 -8.940 3.998 1.00 0.00 N ATOM 710 CA GLY A 45 -4.920 -8.757 5.280 1.00 0.00 C ATOM 711 C GLY A 45 -3.442 -9.145 5.196 1.00 0.00 C ATOM 712 O GLY A 45 -2.963 -9.955 5.989 1.00 0.00 O ATOM 0 H GLY A 45 -5.135 -8.457 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.010 -7.717 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.416 -9.363 6.038 1.00 0.00 H new ATOM 716 N GLU A 46 -2.760 -8.549 4.228 1.00 0.00 N ATOM 717 CA GLU A 46 -1.347 -8.822 4.031 1.00 0.00 C ATOM 718 C GLU A 46 -0.522 -7.557 4.277 1.00 0.00 C ATOM 719 O GLU A 46 -0.548 -6.628 3.470 1.00 0.00 O ATOM 720 CB GLU A 46 -1.087 -9.383 2.632 1.00 0.00 C ATOM 721 CG GLU A 46 -1.860 -8.594 1.572 1.00 0.00 C ATOM 722 CD GLU A 46 -1.694 -9.225 0.189 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.676 -9.350 -0.558 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.493 -9.592 -0.102 1.00 0.00 O ATOM 0 H GLU A 46 -3.160 -7.878 3.572 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.039 -9.578 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.020 -9.344 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.381 -10.432 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.917 -8.562 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.505 -7.563 1.550 1.00 0.00 H new ATOM 732 N THR A 47 0.190 -7.560 5.393 1.00 0.00 N ATOM 733 CA THR A 47 1.020 -6.425 5.756 1.00 0.00 C ATOM 734 C THR A 47 2.399 -6.542 5.102 1.00 0.00 C ATOM 735 O THR A 47 2.964 -7.631 5.029 1.00 0.00 O ATOM 736 CB THR A 47 1.077 -6.347 7.282 1.00 0.00 C ATOM 737 OG1 THR A 47 2.013 -5.305 7.543 1.00 0.00 O ATOM 738 CG2 THR A 47 1.717 -7.588 7.908 1.00 0.00 C ATOM 0 H THR A 47 0.209 -8.332 6.059 1.00 0.00 H new ATOM 0 HA THR A 47 0.596 -5.492 5.385 1.00 0.00 H new ATOM 0 HB THR A 47 0.069 -6.220 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.577 -4.436 7.422 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.733 -7.481 8.993 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.138 -8.471 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.737 -7.697 7.539 1.00 0.00 H new ATOM 746 N GLY A 48 2.899 -5.404 4.643 1.00 0.00 N ATOM 747 CA GLY A 48 4.200 -5.366 3.997 1.00 0.00 C ATOM 748 C GLY A 48 4.636 -3.924 3.729 1.00 0.00 C ATOM 749 O GLY A 48 4.211 -3.003 4.424 1.00 0.00 O ATOM 0 H GLY A 48 2.427 -4.502 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.938 -5.862 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.160 -5.918 3.058 1.00 0.00 H new ATOM 753 N TYR A 49 5.479 -3.774 2.717 1.00 0.00 N ATOM 754 CA TYR A 49 5.978 -2.459 2.347 1.00 0.00 C ATOM 755 C TYR A 49 5.698 -2.161 0.873 1.00 0.00 C ATOM 756 O TYR A 49 6.226 -2.835 -0.011 1.00 0.00 O ATOM 757 CB TYR A 49 7.491 -2.505 2.567 1.00 0.00 C ATOM 758 CG TYR A 49 7.946 -1.882 3.889 1.00 0.00 C ATOM 759 CD1 TYR A 49 7.548 -2.437 5.088 1.00 0.00 C ATOM 760 CD2 TYR A 49 8.756 -0.764 3.882 1.00 0.00 C ATOM 761 CE1 TYR A 49 7.976 -1.850 6.331 1.00 0.00 C ATOM 762 CE2 TYR A 49 9.185 -0.177 5.124 1.00 0.00 C ATOM 763 CZ TYR A 49 8.773 -0.749 6.288 1.00 0.00 C ATOM 764 OH TYR A 49 9.179 -0.195 7.462 1.00 0.00 O ATOM 0 H TYR A 49 5.829 -4.540 2.142 1.00 0.00 H new ATOM 0 HA TYR A 49 5.493 -1.684 2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.822 -3.543 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.984 -1.987 1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.915 -3.312 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.068 -0.330 2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.671 -2.274 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.819 0.697 5.132 1.00 0.00 H new ATOM 0 HH TYR A 49 9.744 0.584 7.278 1.00 0.00 H new ATOM 774 N ILE A 50 4.869 -1.152 0.653 1.00 0.00 N ATOM 775 CA ILE A 50 4.512 -0.756 -0.699 1.00 0.00 C ATOM 776 C ILE A 50 4.786 0.739 -0.877 1.00 0.00 C ATOM 777 O ILE A 50 4.712 1.505 0.082 1.00 0.00 O ATOM 778 CB ILE A 50 3.071 -1.160 -1.012 1.00 0.00 C ATOM 779 CG1 ILE A 50 2.090 -0.479 -0.055 1.00 0.00 C ATOM 780 CG2 ILE A 50 2.913 -2.682 -1.009 1.00 0.00 C ATOM 781 CD1 ILE A 50 0.755 -0.196 -0.746 1.00 0.00 C ATOM 0 H ILE A 50 4.434 -0.596 1.389 1.00 0.00 H new ATOM 0 HA ILE A 50 5.130 -1.282 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 50 2.831 -0.815 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.925 -1.114 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.520 0.454 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.878 -2.941 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.569 -3.117 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.179 -3.074 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.077 0.288 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.920 0.459 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.316 -1.134 -1.087 1.00 0.00 H new ATOM 793 N PRO A 51 5.105 1.117 -2.144 1.00 0.00 N ATOM 794 CA PRO A 51 5.388 2.507 -2.460 1.00 0.00 C ATOM 795 C PRO A 51 4.098 3.286 -2.715 1.00 0.00 C ATOM 796 O PRO A 51 3.177 2.779 -3.354 1.00 0.00 O ATOM 797 CB PRO A 51 6.301 2.455 -3.675 1.00 0.00 C ATOM 798 CG PRO A 51 6.119 1.070 -4.274 1.00 0.00 C ATOM 799 CD PRO A 51 5.400 0.208 -3.247 1.00 0.00 C ATOM 0 HA PRO A 51 5.870 3.036 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.037 3.230 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.340 2.624 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.541 1.126 -5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.085 0.634 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.488 -0.223 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.025 -0.623 -2.920 1.00 0.00 H new ATOM 807 N SER A 52 4.071 4.508 -2.203 1.00 0.00 N ATOM 808 CA SER A 52 2.908 5.363 -2.367 1.00 0.00 C ATOM 809 C SER A 52 3.208 6.464 -3.387 1.00 0.00 C ATOM 810 O SER A 52 3.125 7.649 -3.069 1.00 0.00 O ATOM 811 CB SER A 52 2.484 5.979 -1.032 1.00 0.00 C ATOM 812 OG SER A 52 3.477 6.857 -0.510 1.00 0.00 O ATOM 0 H SER A 52 4.836 4.926 -1.674 1.00 0.00 H new ATOM 0 HA SER A 52 2.083 4.751 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.551 6.526 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.288 5.184 -0.312 1.00 0.00 H new ATOM 0 HG SER A 52 3.638 7.585 -1.147 1.00 0.00 H new ATOM 818 N ASN A 53 3.548 6.032 -4.593 1.00 0.00 N ATOM 819 CA ASN A 53 3.860 6.966 -5.661 1.00 0.00 C ATOM 820 C ASN A 53 2.883 6.753 -6.819 1.00 0.00 C ATOM 821 O ASN A 53 2.743 7.615 -7.685 1.00 0.00 O ATOM 822 CB ASN A 53 5.278 6.741 -6.192 1.00 0.00 C ATOM 823 CG ASN A 53 6.266 7.709 -5.538 1.00 0.00 C ATOM 824 OD1 ASN A 53 6.874 7.422 -4.521 1.00 0.00 O ATOM 825 ND2 ASN A 53 6.392 8.868 -6.178 1.00 0.00 N ATOM 0 H ASN A 53 3.614 5.048 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 53 3.781 7.977 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.585 5.714 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.291 6.877 -7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.028 9.581 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.852 9.044 -7.026 1.00 0.00 H new ATOM 832 N TYR A 54 2.231 5.599 -6.797 1.00 0.00 N ATOM 833 CA TYR A 54 1.271 5.263 -7.834 1.00 0.00 C ATOM 834 C TYR A 54 -0.156 5.261 -7.281 1.00 0.00 C ATOM 835 O TYR A 54 -0.934 4.351 -7.564 1.00 0.00 O ATOM 836 CB TYR A 54 1.627 3.849 -8.297 1.00 0.00 C ATOM 837 CG TYR A 54 2.894 3.775 -9.153 1.00 0.00 C ATOM 838 CD1 TYR A 54 2.926 4.382 -10.391 1.00 0.00 C ATOM 839 CD2 TYR A 54 4.004 3.101 -8.685 1.00 0.00 C ATOM 840 CE1 TYR A 54 4.117 4.313 -11.196 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.195 3.031 -9.491 1.00 0.00 C ATOM 842 CZ TYR A 54 5.193 3.641 -10.707 1.00 0.00 C ATOM 843 OH TYR A 54 6.319 3.574 -11.468 1.00 0.00 O ATOM 0 H TYR A 54 2.349 4.886 -6.077 1.00 0.00 H new ATOM 0 HA TYR A 54 1.312 5.991 -8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.755 3.212 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.791 3.443 -8.867 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.057 4.909 -10.756 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.979 2.627 -7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.155 4.785 -12.167 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.070 2.506 -9.138 1.00 0.00 H new ATOM 0 HH TYR A 54 7.006 3.064 -10.991 1.00 0.00 H new ATOM 853 N VAL A 55 -0.456 6.291 -6.503 1.00 0.00 N ATOM 854 CA VAL A 55 -1.776 6.419 -5.908 1.00 0.00 C ATOM 855 C VAL A 55 -2.442 7.694 -6.428 1.00 0.00 C ATOM 856 O VAL A 55 -1.787 8.539 -7.035 1.00 0.00 O ATOM 857 CB VAL A 55 -1.667 6.380 -4.383 1.00 0.00 C ATOM 858 CG1 VAL A 55 -1.820 4.950 -3.859 1.00 0.00 C ATOM 859 CG2 VAL A 55 -0.352 7.000 -3.910 1.00 0.00 C ATOM 0 H VAL A 55 0.192 7.044 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.410 5.580 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.483 6.976 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.739 4.950 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.795 4.558 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.036 4.322 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.301 6.959 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.485 6.445 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.301 8.039 -4.237 1.00 0.00 H new ATOM 869 N ALA A 56 -3.739 7.793 -6.169 1.00 0.00 N ATOM 870 CA ALA A 56 -4.501 8.951 -6.603 1.00 0.00 C ATOM 871 C ALA A 56 -5.627 9.219 -5.602 1.00 0.00 C ATOM 872 O ALA A 56 -6.719 8.667 -5.728 1.00 0.00 O ATOM 873 CB ALA A 56 -5.026 8.715 -8.021 1.00 0.00 C ATOM 0 H ALA A 56 -4.280 7.091 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.868 9.838 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.598 9.584 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.187 8.558 -8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.668 7.834 -8.029 1.00 0.00 H new ATOM 879 N PRO A 57 -5.315 10.090 -4.605 1.00 0.00 N ATOM 880 CA PRO A 57 -6.288 10.437 -3.584 1.00 0.00 C ATOM 881 C PRO A 57 -7.383 11.340 -4.154 1.00 0.00 C ATOM 882 O PRO A 57 -7.091 12.325 -4.829 1.00 0.00 O ATOM 883 CB PRO A 57 -5.480 11.106 -2.483 1.00 0.00 C ATOM 884 CG PRO A 57 -4.168 11.526 -3.125 1.00 0.00 C ATOM 885 CD PRO A 57 -4.054 10.813 -4.463 1.00 0.00 C ATOM 0 HA PRO A 57 -6.821 9.568 -3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.010 11.968 -2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.307 10.420 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.140 12.607 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.328 11.266 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.910 11.522 -5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.203 10.132 -4.478 1.00 0.00 H new ATOM 893 N VAL A 58 -8.622 10.971 -3.861 1.00 0.00 N ATOM 894 CA VAL A 58 -9.763 11.734 -4.337 1.00 0.00 C ATOM 895 C VAL A 58 -10.453 12.405 -3.147 1.00 0.00 C ATOM 896 O VAL A 58 -10.619 11.791 -2.094 1.00 0.00 O ATOM 897 CB VAL A 58 -10.699 10.830 -5.139 1.00 0.00 C ATOM 898 CG1 VAL A 58 -10.000 10.284 -6.386 1.00 0.00 C ATOM 899 CG2 VAL A 58 -11.241 9.692 -4.272 1.00 0.00 C ATOM 0 H VAL A 58 -8.860 10.153 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.439 12.525 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.546 11.433 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.688 9.644 -6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.687 11.113 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.126 9.705 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.904 9.065 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.411 9.092 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.795 10.108 -3.430 1.00 0.00 H new