USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 410 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 11 MET CE :methyl 154:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 GLN : amide:sc= -0.539 K(o=-0.54,f=-1.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 51:sc= -3.64! USER MOD Single : A 32 SER OG : rot 78:sc= -0.0174 USER MOD Single : A 33 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.34) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.672 K(o=-0.67,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.13 USER MOD Single : A 52 ASN : amide:sc= -1.31 K(o=-1.3,f=-7.2!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 38:sc= 0.911 USER MOD ----------------------------------------------------------------- ATOM 44 N LYS A 3 39.332 54.383 -36.391 1.00 0.00 N ATOM 45 CA LYS A 3 38.575 55.149 -37.422 1.00 0.00 C ATOM 46 C LYS A 3 38.514 56.623 -37.014 1.00 0.00 C ATOM 47 O LYS A 3 37.463 57.147 -36.705 1.00 0.00 O ATOM 48 CB LYS A 3 37.154 54.591 -37.533 1.00 0.00 C ATOM 49 CG LYS A 3 37.093 53.567 -38.667 1.00 0.00 C ATOM 50 CD LYS A 3 35.863 52.677 -38.486 1.00 0.00 C ATOM 51 CE LYS A 3 36.301 51.214 -38.386 1.00 0.00 C ATOM 52 NZ LYS A 3 35.818 50.637 -37.100 1.00 0.00 N ATOM 0 HA LYS A 3 39.076 55.057 -38.386 1.00 0.00 H new ATOM 0 HB2 LYS A 3 36.861 54.125 -36.592 1.00 0.00 H new ATOM 0 HB3 LYS A 3 36.448 55.400 -37.721 1.00 0.00 H new ATOM 0 HG2 LYS A 3 37.047 54.077 -39.629 1.00 0.00 H new ATOM 0 HG3 LYS A 3 37.998 52.959 -38.671 1.00 0.00 H new ATOM 0 HD2 LYS A 3 35.320 52.967 -37.586 1.00 0.00 H new ATOM 0 HD3 LYS A 3 35.180 52.807 -39.326 1.00 0.00 H new ATOM 0 HE2 LYS A 3 35.900 50.645 -39.225 1.00 0.00 H new ATOM 0 HE3 LYS A 3 37.387 51.144 -38.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.116 49.643 -37.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 36.221 51.174 -36.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 34.780 50.691 -37.063 1.00 0.00 H new ATOM 66 N VAL A 4 39.633 57.294 -37.011 1.00 0.00 N ATOM 67 CA VAL A 4 39.640 58.734 -36.621 1.00 0.00 C ATOM 68 C VAL A 4 38.775 59.521 -37.614 1.00 0.00 C ATOM 69 O VAL A 4 39.102 59.636 -38.778 1.00 0.00 O ATOM 70 CB VAL A 4 41.075 59.264 -36.665 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.749 58.781 -37.946 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.061 60.793 -36.649 1.00 0.00 C ATOM 0 H VAL A 4 40.543 56.908 -37.262 1.00 0.00 H new ATOM 0 HA VAL A 4 39.243 58.848 -35.612 1.00 0.00 H new ATOM 0 HB VAL A 4 41.623 58.898 -35.797 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.772 59.156 -37.983 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.761 57.691 -37.962 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.196 59.151 -38.810 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.085 61.167 -36.680 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.514 61.161 -37.517 1.00 0.00 H new ATOM 0 HG23 VAL A 4 40.575 61.143 -35.738 1.00 0.00 H new ATOM 82 N VAL A 5 37.668 60.042 -37.170 1.00 0.00 N ATOM 83 CA VAL A 5 36.776 60.795 -38.092 1.00 0.00 C ATOM 84 C VAL A 5 37.130 62.284 -38.127 1.00 0.00 C ATOM 85 O VAL A 5 37.243 62.926 -37.114 1.00 0.00 O ATOM 86 CB VAL A 5 35.336 60.620 -37.637 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.276 60.829 -36.129 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.453 61.650 -38.339 1.00 0.00 C ATOM 0 H VAL A 5 37.341 59.979 -36.206 1.00 0.00 H new ATOM 0 HA VAL A 5 36.907 60.400 -39.099 1.00 0.00 H new ATOM 0 HB VAL A 5 34.980 59.620 -37.886 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.249 60.707 -35.785 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.914 60.096 -35.634 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.623 61.834 -35.887 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.420 61.526 -38.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.794 62.654 -38.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.513 61.506 -39.418 1.00 0.00 H new ATOM 98 N ALA A 6 37.268 62.840 -39.296 1.00 0.00 N ATOM 99 CA ALA A 6 37.596 64.290 -39.407 1.00 0.00 C ATOM 100 C ALA A 6 36.674 65.122 -38.509 1.00 0.00 C ATOM 101 O ALA A 6 35.800 64.608 -37.840 1.00 0.00 O ATOM 102 CB ALA A 6 37.394 64.737 -40.856 1.00 0.00 C ATOM 0 H ALA A 6 37.167 62.351 -40.186 1.00 0.00 H new ATOM 0 HA ALA A 6 38.630 64.439 -39.096 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.632 65.797 -40.946 1.00 0.00 H new ATOM 0 HB2 ALA A 6 38.050 64.161 -41.509 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.356 64.572 -41.146 1.00 0.00 H new ATOM 108 N LEU A 7 36.870 66.417 -38.506 1.00 0.00 N ATOM 109 CA LEU A 7 36.020 67.317 -37.674 1.00 0.00 C ATOM 110 C LEU A 7 35.815 68.633 -38.421 1.00 0.00 C ATOM 111 O LEU A 7 34.706 69.022 -38.731 1.00 0.00 O ATOM 112 CB LEU A 7 36.723 67.611 -36.345 1.00 0.00 C ATOM 113 CG LEU A 7 35.761 67.402 -35.176 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.747 68.548 -35.142 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.027 66.071 -35.342 1.00 0.00 C ATOM 0 H LEU A 7 37.590 66.892 -39.051 1.00 0.00 H new ATOM 0 HA LEU A 7 35.062 66.835 -37.482 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.589 66.959 -36.232 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.093 68.636 -36.341 1.00 0.00 H new ATOM 0 HG LEU A 7 36.324 67.386 -34.243 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.060 68.401 -34.309 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.272 69.495 -35.017 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.186 68.565 -36.076 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.342 65.926 -34.506 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.464 66.080 -36.275 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.751 65.256 -35.363 1.00 0.00 H new ATOM 127 N TYR A 8 36.884 69.324 -38.709 1.00 0.00 N ATOM 128 CA TYR A 8 36.768 70.618 -39.431 1.00 0.00 C ATOM 129 C TYR A 8 37.514 70.519 -40.765 1.00 0.00 C ATOM 130 O TYR A 8 38.593 69.967 -40.846 1.00 0.00 O ATOM 131 CB TYR A 8 37.369 71.727 -38.571 1.00 0.00 C ATOM 132 CG TYR A 8 36.889 71.560 -37.147 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.539 71.767 -36.835 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.791 71.197 -36.139 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.093 71.612 -35.516 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.345 71.043 -34.821 1.00 0.00 C ATOM 137 CZ TYR A 8 35.996 71.250 -34.510 1.00 0.00 C ATOM 138 OH TYR A 8 35.557 71.097 -33.210 1.00 0.00 O ATOM 0 H TYR A 8 37.836 69.045 -38.473 1.00 0.00 H new ATOM 0 HA TYR A 8 35.720 70.846 -39.626 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.458 71.685 -38.609 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.074 72.703 -38.956 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.842 72.046 -37.611 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.832 71.036 -36.379 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.052 71.772 -35.276 1.00 0.00 H new ATOM 0 HE2 TYR A 8 38.042 70.764 -34.044 1.00 0.00 H new ATOM 0 HH TYR A 8 36.311 70.843 -32.638 1.00 0.00 H new ATOM 148 N ASP A 9 36.937 71.038 -41.813 1.00 0.00 N ATOM 149 CA ASP A 9 37.597 70.966 -43.149 1.00 0.00 C ATOM 150 C ASP A 9 39.087 71.292 -43.022 1.00 0.00 C ATOM 151 O ASP A 9 39.464 72.341 -42.540 1.00 0.00 O ATOM 152 CB ASP A 9 36.937 71.972 -44.095 1.00 0.00 C ATOM 153 CG ASP A 9 37.386 71.694 -45.531 1.00 0.00 C ATOM 154 OD1 ASP A 9 38.493 72.078 -45.869 1.00 0.00 O ATOM 155 OD2 ASP A 9 36.614 71.103 -46.268 1.00 0.00 O ATOM 0 H ASP A 9 36.033 71.511 -41.803 1.00 0.00 H new ATOM 0 HA ASP A 9 37.487 69.956 -43.545 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.852 71.898 -44.021 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.208 72.988 -43.808 1.00 0.00 H new ATOM 160 N TYR A 10 39.937 70.402 -43.462 1.00 0.00 N ATOM 161 CA TYR A 10 41.401 70.665 -43.378 1.00 0.00 C ATOM 162 C TYR A 10 42.049 70.311 -44.718 1.00 0.00 C ATOM 163 O TYR A 10 42.304 69.159 -45.010 1.00 0.00 O ATOM 164 CB TYR A 10 42.015 69.809 -42.270 1.00 0.00 C ATOM 165 CG TYR A 10 43.267 70.478 -41.755 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.201 71.774 -41.229 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.494 69.805 -41.805 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.362 72.396 -40.753 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.654 70.427 -41.329 1.00 0.00 C ATOM 170 CZ TYR A 10 45.587 71.722 -40.804 1.00 0.00 C ATOM 171 OH TYR A 10 46.732 72.336 -40.335 1.00 0.00 O ATOM 0 H TYR A 10 39.680 69.506 -43.875 1.00 0.00 H new ATOM 0 HA TYR A 10 41.572 71.718 -43.152 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.300 69.677 -41.458 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.251 68.815 -42.651 1.00 0.00 H new ATOM 0 HD1 TYR A 10 42.255 72.294 -41.190 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.545 68.806 -42.211 1.00 0.00 H new ATOM 0 HE1 TYR A 10 44.312 73.395 -40.347 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.600 69.908 -41.367 1.00 0.00 H new ATOM 0 HH TYR A 10 47.495 71.731 -40.442 1.00 0.00 H new ATOM 181 N MET A 11 42.310 71.290 -45.539 1.00 0.00 N ATOM 182 CA MET A 11 42.930 71.010 -46.859 1.00 0.00 C ATOM 183 C MET A 11 44.438 70.808 -46.687 1.00 0.00 C ATOM 184 O MET A 11 44.997 71.160 -45.668 1.00 0.00 O ATOM 185 CB MET A 11 42.678 72.189 -47.802 1.00 0.00 C ATOM 186 CG MET A 11 41.531 71.845 -48.755 1.00 0.00 C ATOM 187 SD MET A 11 40.182 73.030 -48.526 1.00 0.00 S ATOM 188 CE MET A 11 39.419 72.823 -50.154 1.00 0.00 C ATOM 0 H MET A 11 42.119 72.274 -45.350 1.00 0.00 H new ATOM 0 HA MET A 11 42.490 70.106 -47.280 1.00 0.00 H new ATOM 0 HB2 MET A 11 42.432 73.082 -47.227 1.00 0.00 H new ATOM 0 HB3 MET A 11 43.581 72.414 -48.369 1.00 0.00 H new ATOM 0 HG2 MET A 11 41.881 71.871 -49.787 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.176 70.832 -48.564 1.00 0.00 H new ATOM 0 HE1 MET A 11 38.360 73.076 -50.094 1.00 0.00 H new ATOM 0 HE2 MET A 11 39.909 73.481 -50.872 1.00 0.00 H new ATOM 0 HE3 MET A 11 39.527 71.788 -50.478 1.00 0.00 H new ATOM 198 N PRO A 12 45.050 70.242 -47.696 1.00 0.00 N ATOM 199 CA PRO A 12 46.497 69.970 -47.697 1.00 0.00 C ATOM 200 C PRO A 12 47.282 71.254 -47.987 1.00 0.00 C ATOM 201 O PRO A 12 47.088 71.895 -49.001 1.00 0.00 O ATOM 202 CB PRO A 12 46.672 68.955 -48.829 1.00 0.00 C ATOM 203 CG PRO A 12 45.450 69.128 -49.763 1.00 0.00 C ATOM 204 CD PRO A 12 44.354 69.820 -48.930 1.00 0.00 C ATOM 0 HA PRO A 12 46.864 69.600 -46.740 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.602 69.132 -49.369 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.720 67.939 -48.436 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.711 69.728 -50.635 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.105 68.162 -50.132 1.00 0.00 H new ATOM 0 HD2 PRO A 12 43.930 70.673 -49.460 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.531 69.140 -48.711 1.00 0.00 H new ATOM 266 N ASP A 17 49.076 65.858 -46.022 1.00 0.00 N ATOM 267 CA ASP A 17 47.901 65.584 -45.147 1.00 0.00 C ATOM 268 C ASP A 17 46.668 65.330 -46.018 1.00 0.00 C ATOM 269 O ASP A 17 46.516 65.913 -47.074 1.00 0.00 O ATOM 270 CB ASP A 17 47.647 66.793 -44.244 1.00 0.00 C ATOM 271 CG ASP A 17 48.958 67.218 -43.580 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.594 66.372 -42.974 1.00 0.00 O ATOM 273 OD2 ASP A 17 49.305 68.383 -43.691 1.00 0.00 O ATOM 0 HA ASP A 17 48.100 64.706 -44.532 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.239 67.618 -44.829 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.906 66.544 -43.484 1.00 0.00 H new ATOM 278 N LEU A 18 45.782 64.468 -45.591 1.00 0.00 N ATOM 279 CA LEU A 18 44.567 64.192 -46.408 1.00 0.00 C ATOM 280 C LEU A 18 43.543 65.306 -46.184 1.00 0.00 C ATOM 281 O LEU A 18 43.289 65.711 -45.069 1.00 0.00 O ATOM 282 CB LEU A 18 43.958 62.855 -45.964 1.00 0.00 C ATOM 283 CG LEU A 18 44.312 61.689 -46.915 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.440 62.053 -47.891 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.756 60.499 -46.066 1.00 0.00 C ATOM 0 H LEU A 18 45.848 63.947 -44.717 1.00 0.00 H new ATOM 0 HA LEU A 18 44.836 64.147 -47.463 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.308 62.617 -44.960 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.874 62.956 -45.908 1.00 0.00 H new ATOM 0 HG LEU A 18 43.429 61.453 -47.509 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.651 61.201 -48.537 1.00 0.00 H new ATOM 0 HD12 LEU A 18 45.134 62.903 -48.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.337 62.314 -47.329 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.011 59.663 -46.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.628 60.779 -45.475 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.945 60.205 -45.399 1.00 0.00 H new ATOM 297 N GLN A 19 42.948 65.798 -47.237 1.00 0.00 N ATOM 298 CA GLN A 19 41.934 66.877 -47.081 1.00 0.00 C ATOM 299 C GLN A 19 40.755 66.327 -46.279 1.00 0.00 C ATOM 300 O GLN A 19 40.166 65.326 -46.636 1.00 0.00 O ATOM 301 CB GLN A 19 41.450 67.328 -48.461 1.00 0.00 C ATOM 302 CG GLN A 19 40.296 68.320 -48.300 1.00 0.00 C ATOM 303 CD GLN A 19 39.877 68.840 -49.676 1.00 0.00 C ATOM 304 OE1 GLN A 19 40.663 68.848 -50.602 1.00 0.00 O ATOM 305 NE2 GLN A 19 38.659 69.278 -49.851 1.00 0.00 N ATOM 0 H GLN A 19 43.121 65.499 -48.197 1.00 0.00 H new ATOM 0 HA GLN A 19 42.373 67.729 -46.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.268 67.793 -49.011 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.124 66.466 -49.043 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.452 67.836 -47.809 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.602 69.150 -47.663 1.00 0.00 H new ATOM 0 HE21 GLN A 19 37.998 69.272 -49.074 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.369 69.626 -50.765 1.00 0.00 H new ATOM 314 N LEU A 20 40.412 66.957 -45.191 1.00 0.00 N ATOM 315 CA LEU A 20 39.281 66.446 -44.371 1.00 0.00 C ATOM 316 C LEU A 20 37.952 66.937 -44.936 1.00 0.00 C ATOM 317 O LEU A 20 37.875 67.959 -45.588 1.00 0.00 O ATOM 318 CB LEU A 20 39.423 66.925 -42.926 1.00 0.00 C ATOM 319 CG LEU A 20 40.709 66.366 -42.301 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.446 66.035 -40.833 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.158 65.092 -43.030 1.00 0.00 C ATOM 0 H LEU A 20 40.864 67.800 -44.836 1.00 0.00 H new ATOM 0 HA LEU A 20 39.301 65.356 -44.397 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.441 68.014 -42.897 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.559 66.605 -42.343 1.00 0.00 H new ATOM 0 HG LEU A 20 41.496 67.115 -42.388 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.355 65.637 -40.381 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.144 66.939 -40.305 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.651 65.292 -40.764 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.071 64.713 -42.571 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.375 64.337 -42.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.347 65.320 -44.079 1.00 0.00 H new ATOM 333 N ARG A 21 36.907 66.216 -44.665 1.00 0.00 N ATOM 334 CA ARG A 21 35.564 66.626 -45.157 1.00 0.00 C ATOM 335 C ARG A 21 34.590 66.575 -43.988 1.00 0.00 C ATOM 336 O ARG A 21 33.397 66.423 -44.155 1.00 0.00 O ATOM 337 CB ARG A 21 35.102 65.679 -46.267 1.00 0.00 C ATOM 338 CG ARG A 21 35.520 66.245 -47.626 1.00 0.00 C ATOM 339 CD ARG A 21 34.753 65.525 -48.737 1.00 0.00 C ATOM 340 NE ARG A 21 33.983 66.521 -49.535 1.00 0.00 N ATOM 341 CZ ARG A 21 32.861 66.174 -50.103 1.00 0.00 C ATOM 342 NH1 ARG A 21 31.908 65.639 -49.391 1.00 0.00 N ATOM 343 NH2 ARG A 21 32.691 66.364 -51.383 1.00 0.00 N ATOM 0 H ARG A 21 36.923 65.354 -44.120 1.00 0.00 H new ATOM 0 HA ARG A 21 35.606 67.636 -45.563 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.539 64.691 -46.122 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.019 65.557 -46.229 1.00 0.00 H new ATOM 0 HG2 ARG A 21 35.317 67.315 -47.664 1.00 0.00 H new ATOM 0 HG3 ARG A 21 36.593 66.119 -47.770 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.447 64.985 -49.381 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.077 64.786 -48.307 1.00 0.00 H new ATOM 0 HE ARG A 21 34.333 67.474 -49.637 1.00 0.00 H new ATOM 0 HH11 ARG A 21 32.040 65.492 -48.390 1.00 0.00 H new ATOM 0 HH12 ARG A 21 31.031 65.368 -49.835 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.436 66.784 -51.940 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.814 66.093 -51.827 1.00 0.00 H new ATOM 357 N LYS A 22 35.116 66.715 -42.807 1.00 0.00 N ATOM 358 CA LYS A 22 34.278 66.692 -41.575 1.00 0.00 C ATOM 359 C LYS A 22 33.132 65.692 -41.727 1.00 0.00 C ATOM 360 O LYS A 22 32.099 65.998 -42.287 1.00 0.00 O ATOM 361 CB LYS A 22 33.688 68.081 -41.327 1.00 0.00 C ATOM 362 CG LYS A 22 34.732 69.154 -41.629 1.00 0.00 C ATOM 363 CD LYS A 22 34.031 70.399 -42.178 1.00 0.00 C ATOM 364 CE LYS A 22 33.655 71.327 -41.021 1.00 0.00 C ATOM 365 NZ LYS A 22 32.189 71.591 -41.052 1.00 0.00 N ATOM 0 H LYS A 22 36.113 66.847 -42.638 1.00 0.00 H new ATOM 0 HA LYS A 22 34.908 66.396 -40.736 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.810 68.229 -41.955 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.357 68.165 -40.292 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.286 69.404 -40.724 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.456 68.780 -42.353 1.00 0.00 H new ATOM 0 HD2 LYS A 22 34.686 70.919 -42.877 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.138 70.111 -42.732 1.00 0.00 H new ATOM 0 HE2 LYS A 22 33.933 70.872 -40.071 1.00 0.00 H new ATOM 0 HE3 LYS A 22 34.206 72.264 -41.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.933 72.222 -40.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 31.937 72.042 -41.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.673 70.693 -40.958 1.00 0.00 H new ATOM 379 N GLY A 23 33.298 64.503 -41.226 1.00 0.00 N ATOM 380 CA GLY A 23 32.207 63.496 -41.343 1.00 0.00 C ATOM 381 C GLY A 23 32.799 62.165 -41.791 1.00 0.00 C ATOM 382 O GLY A 23 32.796 61.196 -41.058 1.00 0.00 O ATOM 0 H GLY A 23 34.137 64.184 -40.742 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.700 63.378 -40.385 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.459 63.834 -42.060 1.00 0.00 H new ATOM 386 N ASP A 24 33.326 62.110 -42.983 1.00 0.00 N ATOM 387 CA ASP A 24 33.929 60.839 -43.453 1.00 0.00 C ATOM 388 C ASP A 24 34.983 60.414 -42.437 1.00 0.00 C ATOM 389 O ASP A 24 35.837 61.191 -42.058 1.00 0.00 O ATOM 390 CB ASP A 24 34.587 61.048 -44.815 1.00 0.00 C ATOM 391 CG ASP A 24 33.599 61.729 -45.763 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.407 61.560 -45.567 1.00 0.00 O ATOM 393 OD2 ASP A 24 34.050 62.409 -46.671 1.00 0.00 O ATOM 0 H ASP A 24 33.364 62.885 -43.645 1.00 0.00 H new ATOM 0 HA ASP A 24 33.161 60.072 -43.551 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.483 61.659 -44.707 1.00 0.00 H new ATOM 0 HB3 ASP A 24 34.902 60.090 -45.229 1.00 0.00 H new ATOM 398 N GLU A 25 34.925 59.201 -41.976 1.00 0.00 N ATOM 399 CA GLU A 25 35.924 58.763 -40.968 1.00 0.00 C ATOM 400 C GLU A 25 37.198 58.291 -41.667 1.00 0.00 C ATOM 401 O GLU A 25 37.183 57.923 -42.826 1.00 0.00 O ATOM 402 CB GLU A 25 35.347 57.628 -40.125 1.00 0.00 C ATOM 403 CG GLU A 25 33.954 58.021 -39.630 1.00 0.00 C ATOM 404 CD GLU A 25 32.894 57.271 -40.439 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.249 56.299 -41.086 1.00 0.00 O ATOM 406 OE2 GLU A 25 31.746 57.682 -40.398 1.00 0.00 O ATOM 0 H GLU A 25 34.237 58.499 -42.249 1.00 0.00 H new ATOM 0 HA GLU A 25 36.165 59.605 -40.319 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.291 56.714 -40.716 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.001 57.420 -39.278 1.00 0.00 H new ATOM 0 HG2 GLU A 25 33.853 57.785 -38.571 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.810 59.097 -39.732 1.00 0.00 H new ATOM 413 N TYR A 26 38.303 58.305 -40.974 1.00 0.00 N ATOM 414 CA TYR A 26 39.580 57.866 -41.599 1.00 0.00 C ATOM 415 C TYR A 26 40.166 56.684 -40.815 1.00 0.00 C ATOM 416 O TYR A 26 39.911 56.514 -39.637 1.00 0.00 O ATOM 417 CB TYR A 26 40.570 59.033 -41.595 1.00 0.00 C ATOM 418 CG TYR A 26 39.858 60.300 -42.011 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.867 60.256 -42.997 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.190 61.521 -41.412 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.211 61.427 -43.388 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.532 62.692 -41.800 1.00 0.00 C ATOM 423 CZ TYR A 26 38.543 62.646 -42.790 1.00 0.00 C ATOM 424 OH TYR A 26 37.898 63.801 -43.179 1.00 0.00 O ATOM 0 H TYR A 26 38.376 58.602 -40.001 1.00 0.00 H new ATOM 0 HA TYR A 26 39.393 57.550 -42.625 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.001 59.155 -40.601 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.395 58.826 -42.277 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.608 59.314 -43.458 1.00 0.00 H new ATOM 0 HD2 TYR A 26 40.955 61.558 -40.650 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.448 61.390 -44.152 1.00 0.00 H new ATOM 0 HE2 TYR A 26 39.787 63.633 -41.336 1.00 0.00 H new ATOM 0 HH TYR A 26 36.929 63.660 -43.151 1.00 0.00 H new ATOM 434 N PHE A 27 40.957 55.875 -41.467 1.00 0.00 N ATOM 435 CA PHE A 27 41.576 54.703 -40.786 1.00 0.00 C ATOM 436 C PHE A 27 43.078 54.940 -40.694 1.00 0.00 C ATOM 437 O PHE A 27 43.697 55.391 -41.634 1.00 0.00 O ATOM 438 CB PHE A 27 41.304 53.434 -41.598 1.00 0.00 C ATOM 439 CG PHE A 27 41.381 52.227 -40.696 1.00 0.00 C ATOM 440 CD1 PHE A 27 42.627 51.717 -40.313 1.00 0.00 C ATOM 441 CD2 PHE A 27 40.205 51.615 -40.245 1.00 0.00 C ATOM 442 CE1 PHE A 27 42.698 50.594 -39.478 1.00 0.00 C ATOM 443 CE2 PHE A 27 40.276 50.493 -39.410 1.00 0.00 C ATOM 444 CZ PHE A 27 41.522 49.982 -39.027 1.00 0.00 C ATOM 0 H PHE A 27 41.203 55.978 -42.452 1.00 0.00 H new ATOM 0 HA PHE A 27 41.153 54.581 -39.789 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.319 53.491 -42.062 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.031 53.344 -42.405 1.00 0.00 H new ATOM 0 HD1 PHE A 27 43.534 52.189 -40.661 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.244 52.008 -40.541 1.00 0.00 H new ATOM 0 HE1 PHE A 27 43.659 50.201 -39.182 1.00 0.00 H new ATOM 0 HE2 PHE A 27 39.369 50.022 -39.061 1.00 0.00 H new ATOM 0 HZ PHE A 27 41.576 49.116 -38.384 1.00 0.00 H new ATOM 454 N ILE A 28 43.662 54.669 -39.564 1.00 0.00 N ATOM 455 CA ILE A 28 45.120 54.918 -39.407 1.00 0.00 C ATOM 456 C ILE A 28 45.948 53.768 -39.968 1.00 0.00 C ATOM 457 O ILE A 28 46.218 52.791 -39.300 1.00 0.00 O ATOM 458 CB ILE A 28 45.432 55.111 -37.928 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.436 56.110 -37.333 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.852 55.655 -37.777 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.209 57.265 -38.315 1.00 0.00 C ATOM 0 H ILE A 28 43.194 54.286 -38.742 1.00 0.00 H new ATOM 0 HA ILE A 28 45.382 55.815 -39.968 1.00 0.00 H new ATOM 0 HB ILE A 28 45.352 54.158 -37.406 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.491 55.611 -37.119 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.815 56.495 -36.386 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.078 55.794 -36.720 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.560 54.948 -38.209 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.932 56.611 -38.294 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.499 57.973 -37.886 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.155 57.771 -38.507 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.811 56.874 -39.251 1.00 0.00 H new ATOM 473 N LEU A 29 46.376 53.903 -41.191 1.00 0.00 N ATOM 474 CA LEU A 29 47.211 52.861 -41.820 1.00 0.00 C ATOM 475 C LEU A 29 48.606 52.878 -41.180 1.00 0.00 C ATOM 476 O LEU A 29 49.453 52.069 -41.500 1.00 0.00 O ATOM 477 CB LEU A 29 47.329 53.191 -43.306 1.00 0.00 C ATOM 478 CG LEU A 29 46.000 52.912 -44.007 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.467 51.543 -43.589 1.00 0.00 C ATOM 480 CD2 LEU A 29 44.982 53.987 -43.632 1.00 0.00 C ATOM 0 H LEU A 29 46.176 54.707 -41.786 1.00 0.00 H new ATOM 0 HA LEU A 29 46.767 51.875 -41.682 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.605 54.238 -43.434 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.121 52.594 -43.758 1.00 0.00 H new ATOM 0 HG LEU A 29 46.161 52.923 -45.085 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.520 51.352 -44.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 46.187 50.772 -43.865 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.314 51.526 -42.510 1.00 0.00 H new ATOM 0 HD21 LEU A 29 44.036 53.784 -44.134 1.00 0.00 H new ATOM 0 HD22 LEU A 29 44.828 53.982 -42.553 1.00 0.00 H new ATOM 0 HD23 LEU A 29 45.354 54.964 -43.941 1.00 0.00 H new ATOM 492 N GLU A 30 48.852 53.801 -40.283 1.00 0.00 N ATOM 493 CA GLU A 30 50.192 53.869 -39.633 1.00 0.00 C ATOM 494 C GLU A 30 50.121 54.810 -38.422 1.00 0.00 C ATOM 495 O GLU A 30 49.225 54.709 -37.609 1.00 0.00 O ATOM 496 CB GLU A 30 51.217 54.388 -40.646 1.00 0.00 C ATOM 497 CG GLU A 30 52.624 53.989 -40.199 1.00 0.00 C ATOM 498 CD GLU A 30 53.263 53.093 -41.263 1.00 0.00 C ATOM 499 OE1 GLU A 30 52.559 52.255 -41.802 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.443 53.263 -41.520 1.00 0.00 O ATOM 0 H GLU A 30 48.183 54.507 -39.975 1.00 0.00 H new ATOM 0 HA GLU A 30 50.494 52.878 -39.295 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.008 53.977 -41.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.144 55.472 -40.730 1.00 0.00 H new ATOM 0 HG2 GLU A 30 53.234 54.879 -40.044 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.579 53.463 -39.245 1.00 0.00 H new ATOM 507 N GLU A 31 51.051 55.724 -38.285 1.00 0.00 N ATOM 508 CA GLU A 31 51.004 56.651 -37.118 1.00 0.00 C ATOM 509 C GLU A 31 52.210 57.593 -37.153 1.00 0.00 C ATOM 510 O GLU A 31 52.941 57.649 -38.122 1.00 0.00 O ATOM 511 CB GLU A 31 51.032 55.838 -35.822 1.00 0.00 C ATOM 512 CG GLU A 31 52.285 54.960 -35.800 1.00 0.00 C ATOM 513 CD GLU A 31 53.057 55.204 -34.503 1.00 0.00 C ATOM 514 OE1 GLU A 31 52.479 55.769 -33.589 1.00 0.00 O ATOM 515 OE2 GLU A 31 54.215 54.821 -34.444 1.00 0.00 O ATOM 0 H GLU A 31 51.832 55.865 -38.925 1.00 0.00 H new ATOM 0 HA GLU A 31 50.087 57.239 -37.163 1.00 0.00 H new ATOM 0 HB2 GLU A 31 51.027 56.506 -34.961 1.00 0.00 H new ATOM 0 HB3 GLU A 31 50.139 55.218 -35.749 1.00 0.00 H new ATOM 0 HG2 GLU A 31 52.007 53.909 -35.878 1.00 0.00 H new ATOM 0 HG3 GLU A 31 52.916 55.187 -36.659 1.00 0.00 H new ATOM 522 N SER A 32 52.422 58.337 -36.099 1.00 0.00 N ATOM 523 CA SER A 32 53.579 59.277 -36.066 1.00 0.00 C ATOM 524 C SER A 32 53.497 60.146 -34.807 1.00 0.00 C ATOM 525 O SER A 32 52.430 60.390 -34.277 1.00 0.00 O ATOM 526 CB SER A 32 53.543 60.172 -37.305 1.00 0.00 C ATOM 527 OG SER A 32 52.190 60.464 -37.634 1.00 0.00 O ATOM 0 H SER A 32 51.843 58.334 -35.259 1.00 0.00 H new ATOM 0 HA SER A 32 54.509 58.708 -36.054 1.00 0.00 H new ATOM 0 HB2 SER A 32 54.091 61.095 -37.117 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.034 59.675 -38.142 1.00 0.00 H new ATOM 0 HG SER A 32 51.850 61.159 -37.033 1.00 0.00 H new ATOM 533 N ASN A 33 54.616 60.616 -34.323 1.00 0.00 N ATOM 534 CA ASN A 33 54.604 61.471 -33.100 1.00 0.00 C ATOM 535 C ASN A 33 53.649 62.648 -33.311 1.00 0.00 C ATOM 536 O ASN A 33 52.802 62.930 -32.486 1.00 0.00 O ATOM 537 CB ASN A 33 56.015 61.999 -32.835 1.00 0.00 C ATOM 538 CG ASN A 33 56.341 61.864 -31.346 1.00 0.00 C ATOM 539 OD1 ASN A 33 55.496 62.091 -30.503 1.00 0.00 O ATOM 540 ND2 ASN A 33 57.541 61.501 -30.986 1.00 0.00 N ATOM 0 H ASN A 33 55.539 60.445 -34.722 1.00 0.00 H new ATOM 0 HA ASN A 33 54.270 60.881 -32.246 1.00 0.00 H new ATOM 0 HB2 ASN A 33 56.740 61.442 -33.429 1.00 0.00 H new ATOM 0 HB3 ASN A 33 56.087 63.043 -33.140 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.770 61.408 -29.996 1.00 0.00 H new ATOM 0 HD22 ASN A 33 58.250 61.310 -31.694 1.00 0.00 H new ATOM 547 N LEU A 34 53.781 63.333 -34.414 1.00 0.00 N ATOM 548 CA LEU A 34 52.886 64.491 -34.695 1.00 0.00 C ATOM 549 C LEU A 34 51.446 64.128 -34.317 1.00 0.00 C ATOM 550 O LEU A 34 51.138 62.971 -34.107 1.00 0.00 O ATOM 551 CB LEU A 34 52.961 64.809 -36.191 1.00 0.00 C ATOM 552 CG LEU A 34 54.164 65.714 -36.464 1.00 0.00 C ATOM 553 CD1 LEU A 34 53.864 67.128 -35.966 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.393 65.167 -35.732 1.00 0.00 C ATOM 0 H LEU A 34 54.474 63.139 -35.136 1.00 0.00 H new ATOM 0 HA LEU A 34 53.198 65.358 -34.113 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.049 63.887 -36.765 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.043 65.300 -36.515 1.00 0.00 H new ATOM 0 HG LEU A 34 54.360 65.740 -37.536 1.00 0.00 H new ATOM 0 HD11 LEU A 34 54.722 67.772 -36.161 1.00 0.00 H new ATOM 0 HD12 LEU A 34 52.990 67.520 -36.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 53.666 67.102 -34.894 1.00 0.00 H new ATOM 0 HD21 LEU A 34 56.250 65.812 -35.927 1.00 0.00 H new ATOM 0 HD22 LEU A 34 55.196 65.139 -34.660 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.609 64.159 -36.087 1.00 0.00 H new ATOM 566 N PRO A 35 50.599 65.126 -34.251 1.00 0.00 N ATOM 567 CA PRO A 35 49.180 64.931 -33.909 1.00 0.00 C ATOM 568 C PRO A 35 48.447 64.279 -35.080 1.00 0.00 C ATOM 569 O PRO A 35 47.385 63.710 -34.923 1.00 0.00 O ATOM 570 CB PRO A 35 48.670 66.348 -33.638 1.00 0.00 C ATOM 571 CG PRO A 35 49.648 67.306 -34.355 1.00 0.00 C ATOM 572 CD PRO A 35 50.971 66.532 -34.520 1.00 0.00 C ATOM 0 HA PRO A 35 49.023 64.274 -33.054 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.655 66.475 -34.015 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.640 66.552 -32.568 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.253 67.611 -35.324 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.799 68.215 -33.772 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.381 66.652 -35.523 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.730 66.885 -33.821 1.00 0.00 H new ATOM 579 N TRP A 36 49.020 64.336 -36.250 1.00 0.00 N ATOM 580 CA TRP A 36 48.372 63.699 -37.425 1.00 0.00 C ATOM 581 C TRP A 36 48.973 62.305 -37.606 1.00 0.00 C ATOM 582 O TRP A 36 50.006 61.994 -37.046 1.00 0.00 O ATOM 583 CB TRP A 36 48.626 64.539 -38.678 1.00 0.00 C ATOM 584 CG TRP A 36 50.088 64.825 -38.801 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.060 63.887 -38.887 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.761 66.116 -38.855 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.285 64.520 -38.989 1.00 0.00 N ATOM 588 CE2 TRP A 36 52.154 65.895 -38.974 1.00 0.00 C ATOM 589 CE3 TRP A 36 50.303 67.445 -38.811 1.00 0.00 C ATOM 590 CZ2 TRP A 36 53.060 66.954 -39.048 1.00 0.00 C ATOM 591 CZ3 TRP A 36 51.212 68.514 -38.885 1.00 0.00 C ATOM 592 CH2 TRP A 36 52.587 68.269 -39.003 1.00 0.00 C ATOM 0 H TRP A 36 49.910 64.797 -36.441 1.00 0.00 H new ATOM 0 HA TRP A 36 47.296 63.628 -37.267 1.00 0.00 H new ATOM 0 HB2 TRP A 36 48.273 64.008 -39.562 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.066 65.472 -38.622 1.00 0.00 H new ATOM 0 HD1 TRP A 36 50.904 62.818 -38.877 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.177 64.031 -39.066 1.00 0.00 H new ATOM 0 HE3 TRP A 36 49.246 67.645 -38.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 54.118 66.759 -39.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 50.849 69.531 -38.851 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.280 69.095 -39.059 1.00 0.00 H new ATOM 603 N TRP A 37 48.347 61.456 -38.372 1.00 0.00 N ATOM 604 CA TRP A 37 48.911 60.091 -38.555 1.00 0.00 C ATOM 605 C TRP A 37 49.000 59.771 -40.039 1.00 0.00 C ATOM 606 O TRP A 37 49.059 60.647 -40.873 1.00 0.00 O ATOM 607 CB TRP A 37 48.012 59.063 -37.861 1.00 0.00 C ATOM 608 CG TRP A 37 47.766 59.495 -36.452 1.00 0.00 C ATOM 609 CD1 TRP A 37 47.206 60.671 -36.092 1.00 0.00 C ATOM 610 CD2 TRP A 37 48.061 58.785 -35.214 1.00 0.00 C ATOM 611 NE1 TRP A 37 47.143 60.733 -34.711 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.658 59.593 -34.125 1.00 0.00 C ATOM 613 CE3 TRP A 37 48.636 57.533 -34.931 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.820 59.175 -32.804 1.00 0.00 C ATOM 615 CZ3 TRP A 37 48.798 57.107 -33.603 1.00 0.00 C ATOM 616 CH2 TRP A 37 48.393 57.927 -32.542 1.00 0.00 C ATOM 0 H TRP A 37 47.479 61.645 -38.874 1.00 0.00 H new ATOM 0 HA TRP A 37 49.908 60.052 -38.116 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.067 58.970 -38.395 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.484 58.081 -37.875 1.00 0.00 H new ATOM 0 HD1 TRP A 37 46.863 61.438 -36.771 1.00 0.00 H new ATOM 0 HE1 TRP A 37 46.763 61.523 -34.190 1.00 0.00 H new ATOM 0 HE3 TRP A 37 48.955 56.894 -35.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.505 59.811 -31.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 49.237 56.142 -33.398 1.00 0.00 H new ATOM 0 HH2 TRP A 37 48.523 57.595 -31.522 1.00 0.00 H new ATOM 627 N ARG A 38 48.997 58.519 -40.368 1.00 0.00 N ATOM 628 CA ARG A 38 49.066 58.115 -41.797 1.00 0.00 C ATOM 629 C ARG A 38 47.807 57.320 -42.110 1.00 0.00 C ATOM 630 O ARG A 38 47.797 56.106 -42.070 1.00 0.00 O ATOM 631 CB ARG A 38 50.302 57.244 -42.032 1.00 0.00 C ATOM 632 CG ARG A 38 50.900 57.566 -43.403 1.00 0.00 C ATOM 633 CD ARG A 38 50.389 56.554 -44.429 1.00 0.00 C ATOM 634 NE ARG A 38 51.532 55.742 -44.935 1.00 0.00 N ATOM 635 CZ ARG A 38 51.384 54.999 -45.996 1.00 0.00 C ATOM 636 NH1 ARG A 38 50.187 54.726 -46.439 1.00 0.00 N ATOM 637 NH2 ARG A 38 52.432 54.527 -46.614 1.00 0.00 N ATOM 0 H ARG A 38 48.949 57.746 -39.704 1.00 0.00 H new ATOM 0 HA ARG A 38 49.137 58.992 -42.441 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.040 57.423 -41.250 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.032 56.189 -41.980 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.625 58.577 -43.704 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.988 57.533 -43.354 1.00 0.00 H new ATOM 0 HD2 ARG A 38 49.641 55.905 -43.974 1.00 0.00 H new ATOM 0 HD3 ARG A 38 49.902 57.072 -45.256 1.00 0.00 H new ATOM 0 HE ARG A 38 52.430 55.768 -44.451 1.00 0.00 H new ATOM 0 HH11 ARG A 38 49.368 55.094 -45.955 1.00 0.00 H new ATOM 0 HH12 ARG A 38 50.071 54.145 -47.269 1.00 0.00 H new ATOM 0 HH21 ARG A 38 53.367 54.739 -46.267 1.00 0.00 H new ATOM 0 HH22 ARG A 38 52.316 53.946 -47.444 1.00 0.00 H new ATOM 651 N ALA A 39 46.734 58.000 -42.382 1.00 0.00 N ATOM 652 CA ALA A 39 45.459 57.292 -42.651 1.00 0.00 C ATOM 653 C ALA A 39 44.972 57.581 -44.069 1.00 0.00 C ATOM 654 O ALA A 39 45.500 58.423 -44.765 1.00 0.00 O ATOM 655 CB ALA A 39 44.409 57.796 -41.656 1.00 0.00 C ATOM 0 H ALA A 39 46.685 59.018 -42.430 1.00 0.00 H new ATOM 0 HA ALA A 39 45.615 56.218 -42.546 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.462 57.287 -41.837 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.743 57.590 -40.639 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.274 58.870 -41.783 1.00 0.00 H new ATOM 661 N ARG A 40 43.943 56.896 -44.481 1.00 0.00 N ATOM 662 CA ARG A 40 43.373 57.128 -45.835 1.00 0.00 C ATOM 663 C ARG A 40 41.943 57.628 -45.649 1.00 0.00 C ATOM 664 O ARG A 40 41.067 56.888 -45.246 1.00 0.00 O ATOM 665 CB ARG A 40 43.368 55.820 -46.628 1.00 0.00 C ATOM 666 CG ARG A 40 42.517 55.991 -47.888 1.00 0.00 C ATOM 667 CD ARG A 40 41.395 54.951 -47.892 1.00 0.00 C ATOM 668 NE ARG A 40 41.752 53.838 -48.817 1.00 0.00 N ATOM 669 CZ ARG A 40 42.765 53.064 -48.543 1.00 0.00 C ATOM 670 NH1 ARG A 40 43.910 53.253 -49.138 1.00 0.00 N ATOM 671 NH2 ARG A 40 42.632 52.098 -47.675 1.00 0.00 N ATOM 0 H ARG A 40 43.469 56.179 -43.932 1.00 0.00 H new ATOM 0 HA ARG A 40 43.968 57.858 -46.384 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.387 55.543 -46.899 1.00 0.00 H new ATOM 0 HB3 ARG A 40 42.970 55.012 -46.014 1.00 0.00 H new ATOM 0 HG2 ARG A 40 42.096 56.996 -47.921 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.137 55.876 -48.777 1.00 0.00 H new ATOM 0 HD2 ARG A 40 41.239 54.565 -46.885 1.00 0.00 H new ATOM 0 HD3 ARG A 40 40.458 55.412 -48.205 1.00 0.00 H new ATOM 0 HE ARG A 40 41.205 53.682 -49.663 1.00 0.00 H new ATOM 0 HH11 ARG A 40 44.013 54.006 -49.818 1.00 0.00 H new ATOM 0 HH12 ARG A 40 44.702 52.647 -48.924 1.00 0.00 H new ATOM 0 HH21 ARG A 40 41.736 51.949 -47.211 1.00 0.00 H new ATOM 0 HH22 ARG A 40 43.424 51.492 -47.461 1.00 0.00 H new ATOM 685 N ASP A 41 41.700 58.880 -45.909 1.00 0.00 N ATOM 686 CA ASP A 41 40.325 59.416 -45.708 1.00 0.00 C ATOM 687 C ASP A 41 39.344 58.705 -46.641 1.00 0.00 C ATOM 688 O ASP A 41 39.721 57.866 -47.437 1.00 0.00 O ATOM 689 CB ASP A 41 40.309 60.920 -45.985 1.00 0.00 C ATOM 690 CG ASP A 41 40.890 61.193 -47.373 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.033 60.247 -48.131 1.00 0.00 O ATOM 692 OD2 ASP A 41 41.184 62.344 -47.656 1.00 0.00 O ATOM 0 H ASP A 41 42.387 59.552 -46.250 1.00 0.00 H new ATOM 0 HA ASP A 41 40.023 59.239 -44.676 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.289 61.300 -45.926 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.890 61.446 -45.227 1.00 0.00 H new ATOM 697 N LYS A 42 38.083 59.029 -46.543 1.00 0.00 N ATOM 698 CA LYS A 42 37.069 58.369 -47.416 1.00 0.00 C ATOM 699 C LYS A 42 37.244 58.835 -48.862 1.00 0.00 C ATOM 700 O LYS A 42 36.570 58.365 -49.757 1.00 0.00 O ATOM 701 CB LYS A 42 35.665 58.733 -46.934 1.00 0.00 C ATOM 702 CG LYS A 42 34.628 57.965 -47.756 1.00 0.00 C ATOM 703 CD LYS A 42 33.227 58.273 -47.226 1.00 0.00 C ATOM 704 CE LYS A 42 32.356 57.021 -47.329 1.00 0.00 C ATOM 705 NZ LYS A 42 31.080 57.240 -46.591 1.00 0.00 N ATOM 0 H LYS A 42 37.710 59.723 -45.895 1.00 0.00 H new ATOM 0 HA LYS A 42 37.206 57.289 -47.367 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.558 58.491 -45.877 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.502 59.806 -47.034 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.701 58.246 -48.807 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.823 56.894 -47.698 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.284 58.605 -46.189 1.00 0.00 H new ATOM 0 HD3 LYS A 42 32.781 59.087 -47.798 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.149 56.794 -48.375 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.885 56.162 -46.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 30.488 56.388 -46.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 31.287 57.436 -45.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 30.574 58.049 -47.005 1.00 0.00 H new ATOM 719 N ASN A 43 38.146 59.747 -49.104 1.00 0.00 N ATOM 720 CA ASN A 43 38.356 60.222 -50.498 1.00 0.00 C ATOM 721 C ASN A 43 39.225 59.208 -51.246 1.00 0.00 C ATOM 722 O ASN A 43 39.623 59.428 -52.373 1.00 0.00 O ATOM 723 CB ASN A 43 39.059 61.580 -50.475 1.00 0.00 C ATOM 724 CG ASN A 43 38.370 62.496 -49.460 1.00 0.00 C ATOM 725 OD1 ASN A 43 37.189 62.363 -49.209 1.00 0.00 O ATOM 726 ND2 ASN A 43 39.063 63.426 -48.865 1.00 0.00 N ATOM 0 H ASN A 43 38.743 60.181 -48.400 1.00 0.00 H new ATOM 0 HA ASN A 43 37.394 60.324 -51.001 1.00 0.00 H new ATOM 0 HB2 ASN A 43 40.109 61.453 -50.212 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.031 62.032 -51.466 1.00 0.00 H new ATOM 0 HD21 ASN A 43 38.614 64.043 -48.188 1.00 0.00 H new ATOM 0 HD22 ASN A 43 40.055 63.537 -49.076 1.00 0.00 H new ATOM 733 N GLY A 44 39.524 58.097 -50.626 1.00 0.00 N ATOM 734 CA GLY A 44 40.368 57.074 -51.299 1.00 0.00 C ATOM 735 C GLY A 44 41.780 57.628 -51.473 1.00 0.00 C ATOM 736 O GLY A 44 42.393 57.474 -52.510 1.00 0.00 O ATOM 0 H GLY A 44 39.219 57.856 -49.683 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.393 56.159 -50.707 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.943 56.815 -52.269 1.00 0.00 H new ATOM 740 N GLN A 45 42.301 58.277 -50.468 1.00 0.00 N ATOM 741 CA GLN A 45 43.665 58.839 -50.585 1.00 0.00 C ATOM 742 C GLN A 45 44.394 58.649 -49.260 1.00 0.00 C ATOM 743 O GLN A 45 43.880 58.981 -48.207 1.00 0.00 O ATOM 744 CB GLN A 45 43.568 60.333 -50.904 1.00 0.00 C ATOM 745 CG GLN A 45 44.888 60.813 -51.511 1.00 0.00 C ATOM 746 CD GLN A 45 44.803 62.314 -51.793 1.00 0.00 C ATOM 747 OE1 GLN A 45 45.677 63.066 -51.410 1.00 0.00 O ATOM 748 NE2 GLN A 45 43.781 62.786 -52.452 1.00 0.00 N ATOM 0 H GLN A 45 41.837 58.439 -49.574 1.00 0.00 H new ATOM 0 HA GLN A 45 44.210 58.332 -51.381 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.749 60.515 -51.599 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.347 60.896 -49.997 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.711 60.607 -50.827 1.00 0.00 H new ATOM 0 HG3 GLN A 45 45.095 60.270 -52.433 1.00 0.00 H new ATOM 0 HE21 GLN A 45 43.047 62.156 -52.774 1.00 0.00 H new ATOM 0 HE22 GLN A 45 43.716 63.785 -52.645 1.00 0.00 H new ATOM 757 N GLU A 46 45.587 58.124 -49.306 1.00 0.00 N ATOM 758 CA GLU A 46 46.364 57.925 -48.055 1.00 0.00 C ATOM 759 C GLU A 46 47.193 59.183 -47.815 1.00 0.00 C ATOM 760 O GLU A 46 47.795 59.717 -48.725 1.00 0.00 O ATOM 761 CB GLU A 46 47.285 56.712 -48.209 1.00 0.00 C ATOM 762 CG GLU A 46 46.535 55.595 -48.935 1.00 0.00 C ATOM 763 CD GLU A 46 47.509 54.468 -49.287 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.623 54.499 -48.791 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.124 53.594 -50.046 1.00 0.00 O ATOM 0 H GLU A 46 46.057 57.824 -50.160 1.00 0.00 H new ATOM 0 HA GLU A 46 45.696 57.747 -47.212 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.179 56.989 -48.768 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.616 56.366 -47.230 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.733 55.212 -48.304 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.070 55.984 -49.841 1.00 0.00 H new ATOM 772 N GLY A 47 47.215 59.682 -46.614 1.00 0.00 N ATOM 773 CA GLY A 47 47.990 60.923 -46.361 1.00 0.00 C ATOM 774 C GLY A 47 48.107 61.181 -44.862 1.00 0.00 C ATOM 775 O GLY A 47 47.905 60.302 -44.047 1.00 0.00 O ATOM 0 H GLY A 47 46.735 59.289 -45.804 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.984 60.834 -46.800 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.502 61.769 -46.845 1.00 0.00 H new ATOM 779 N TYR A 48 48.436 62.388 -44.498 1.00 0.00 N ATOM 780 CA TYR A 48 48.574 62.721 -43.055 1.00 0.00 C ATOM 781 C TYR A 48 47.258 63.300 -42.526 1.00 0.00 C ATOM 782 O TYR A 48 46.818 64.354 -42.939 1.00 0.00 O ATOM 783 CB TYR A 48 49.694 63.749 -42.873 1.00 0.00 C ATOM 784 CG TYR A 48 50.996 63.032 -42.605 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.178 62.335 -41.405 1.00 0.00 C ATOM 786 CD2 TYR A 48 52.021 63.064 -43.559 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.385 61.671 -41.157 1.00 0.00 C ATOM 788 CE2 TYR A 48 53.229 62.400 -43.310 1.00 0.00 C ATOM 789 CZ TYR A 48 53.410 61.704 -42.110 1.00 0.00 C ATOM 790 OH TYR A 48 54.601 61.050 -41.865 1.00 0.00 O ATOM 0 H TYR A 48 48.616 63.160 -45.140 1.00 0.00 H new ATOM 0 HA TYR A 48 48.816 61.815 -42.500 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.784 64.367 -43.766 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.458 64.418 -42.045 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.387 62.309 -40.670 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.880 63.600 -44.486 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.526 61.133 -40.231 1.00 0.00 H new ATOM 0 HE2 TYR A 48 54.021 62.425 -44.044 1.00 0.00 H new ATOM 0 HH TYR A 48 55.204 61.172 -42.628 1.00 0.00 H new ATOM 800 N ILE A 49 46.629 62.617 -41.613 1.00 0.00 N ATOM 801 CA ILE A 49 45.345 63.121 -41.052 1.00 0.00 C ATOM 802 C ILE A 49 45.587 63.612 -39.617 1.00 0.00 C ATOM 803 O ILE A 49 46.147 62.894 -38.813 1.00 0.00 O ATOM 804 CB ILE A 49 44.333 61.983 -41.050 1.00 0.00 C ATOM 805 CG1 ILE A 49 43.959 61.626 -42.489 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.073 62.385 -40.279 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.174 61.013 -43.183 1.00 0.00 C ATOM 0 H ILE A 49 46.949 61.728 -41.229 1.00 0.00 H new ATOM 0 HA ILE A 49 44.963 63.946 -41.654 1.00 0.00 H new ATOM 0 HB ILE A 49 44.782 61.118 -40.561 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.126 60.923 -42.498 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.630 62.517 -43.024 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.362 61.559 -40.289 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.338 62.624 -39.249 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.621 63.258 -40.750 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.915 60.756 -44.210 1.00 0.00 H new ATOM 0 HD12 ILE A 49 45.993 61.732 -43.185 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.482 60.113 -42.650 1.00 0.00 H new ATOM 819 N PRO A 50 45.170 64.824 -39.338 1.00 0.00 N ATOM 820 CA PRO A 50 45.345 65.439 -38.006 1.00 0.00 C ATOM 821 C PRO A 50 44.319 64.897 -37.005 1.00 0.00 C ATOM 822 O PRO A 50 43.270 64.409 -37.378 1.00 0.00 O ATOM 823 CB PRO A 50 45.114 66.930 -38.268 1.00 0.00 C ATOM 824 CG PRO A 50 44.278 67.021 -39.566 1.00 0.00 C ATOM 825 CD PRO A 50 44.484 65.692 -40.316 1.00 0.00 C ATOM 0 HA PRO A 50 46.321 65.227 -37.570 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.588 67.394 -37.434 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.062 67.456 -38.379 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.224 67.178 -39.338 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.601 67.864 -40.176 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.534 65.262 -40.632 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.085 65.831 -41.215 1.00 0.00 H new ATOM 832 N SER A 51 44.619 64.977 -35.734 1.00 0.00 N ATOM 833 CA SER A 51 43.671 64.467 -34.705 1.00 0.00 C ATOM 834 C SER A 51 42.996 65.636 -33.993 1.00 0.00 C ATOM 835 O SER A 51 41.830 65.584 -33.661 1.00 0.00 O ATOM 836 CB SER A 51 44.439 63.643 -33.685 1.00 0.00 C ATOM 837 OG SER A 51 44.789 64.466 -32.579 1.00 0.00 O ATOM 0 H SER A 51 45.483 65.375 -35.366 1.00 0.00 H new ATOM 0 HA SER A 51 42.912 63.853 -35.190 1.00 0.00 H new ATOM 0 HB2 SER A 51 43.832 62.802 -33.349 1.00 0.00 H new ATOM 0 HB3 SER A 51 45.337 63.226 -34.140 1.00 0.00 H new ATOM 0 HG SER A 51 45.283 63.935 -31.920 1.00 0.00 H new ATOM 843 N ASN A 52 43.720 66.696 -33.760 1.00 0.00 N ATOM 844 CA ASN A 52 43.116 67.870 -33.075 1.00 0.00 C ATOM 845 C ASN A 52 41.948 68.396 -33.911 1.00 0.00 C ATOM 846 O ASN A 52 41.178 69.224 -33.467 1.00 0.00 O ATOM 847 CB ASN A 52 44.169 68.969 -32.919 1.00 0.00 C ATOM 848 CG ASN A 52 44.570 69.491 -34.301 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.306 68.858 -35.303 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.202 70.629 -34.396 1.00 0.00 N ATOM 0 H ASN A 52 44.702 66.799 -34.015 1.00 0.00 H new ATOM 0 HA ASN A 52 42.756 67.573 -32.090 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.773 69.783 -32.312 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.043 68.579 -32.398 1.00 0.00 H new ATOM 0 HD21 ASN A 52 45.474 70.986 -35.312 1.00 0.00 H new ATOM 0 HD22 ASN A 52 45.424 71.161 -33.554 1.00 0.00 H new ATOM 857 N TYR A 53 41.809 67.922 -35.120 1.00 0.00 N ATOM 858 CA TYR A 53 40.689 68.398 -35.981 1.00 0.00 C ATOM 859 C TYR A 53 39.869 67.198 -36.460 1.00 0.00 C ATOM 860 O TYR A 53 39.446 67.140 -37.596 1.00 0.00 O ATOM 861 CB TYR A 53 41.258 69.138 -37.193 1.00 0.00 C ATOM 862 CG TYR A 53 41.160 70.629 -36.971 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.532 71.180 -35.738 1.00 0.00 C ATOM 864 CD2 TYR A 53 40.698 71.460 -37.998 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.441 72.563 -35.535 1.00 0.00 C ATOM 866 CE2 TYR A 53 40.606 72.842 -37.794 1.00 0.00 C ATOM 867 CZ TYR A 53 40.979 73.394 -36.563 1.00 0.00 C ATOM 868 OH TYR A 53 40.889 74.756 -36.361 1.00 0.00 O ATOM 0 H TYR A 53 42.421 67.227 -35.548 1.00 0.00 H new ATOM 0 HA TYR A 53 40.051 69.071 -35.408 1.00 0.00 H new ATOM 0 HB2 TYR A 53 42.298 68.852 -37.351 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.710 68.858 -38.093 1.00 0.00 H new ATOM 0 HD1 TYR A 53 41.888 70.539 -34.945 1.00 0.00 H new ATOM 0 HD2 TYR A 53 40.412 71.035 -38.949 1.00 0.00 H new ATOM 0 HE1 TYR A 53 41.727 72.989 -34.585 1.00 0.00 H new ATOM 0 HE2 TYR A 53 40.247 73.482 -38.586 1.00 0.00 H new ATOM 0 HH TYR A 53 40.552 75.186 -37.175 1.00 0.00 H new ATOM 878 N VAL A 54 39.650 66.236 -35.603 1.00 0.00 N ATOM 879 CA VAL A 54 38.867 65.034 -36.012 1.00 0.00 C ATOM 880 C VAL A 54 38.235 64.383 -34.789 1.00 0.00 C ATOM 881 O VAL A 54 37.885 65.035 -33.826 1.00 0.00 O ATOM 882 CB VAL A 54 39.801 64.039 -36.700 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.676 64.777 -37.709 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.676 63.361 -35.649 1.00 0.00 C ATOM 0 H VAL A 54 39.980 66.231 -34.638 1.00 0.00 H new ATOM 0 HA VAL A 54 38.076 65.333 -36.700 1.00 0.00 H new ATOM 0 HB VAL A 54 39.215 63.283 -37.223 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.342 64.068 -38.200 1.00 0.00 H new ATOM 0 HG12 VAL A 54 40.044 65.258 -38.456 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.268 65.533 -37.193 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.344 62.650 -36.135 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.266 64.114 -35.126 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.044 62.834 -34.934 1.00 0.00 H new ATOM 894 N THR A 55 38.058 63.102 -34.847 1.00 0.00 N ATOM 895 CA THR A 55 37.421 62.382 -33.731 1.00 0.00 C ATOM 896 C THR A 55 37.842 60.902 -33.818 1.00 0.00 C ATOM 897 O THR A 55 38.656 60.544 -34.642 1.00 0.00 O ATOM 898 CB THR A 55 35.906 62.604 -33.870 1.00 0.00 C ATOM 899 OG1 THR A 55 35.538 63.741 -33.103 1.00 0.00 O ATOM 900 CG2 THR A 55 35.084 61.404 -33.400 1.00 0.00 C ATOM 0 H THR A 55 38.333 62.516 -35.635 1.00 0.00 H new ATOM 0 HA THR A 55 37.725 62.738 -32.747 1.00 0.00 H new ATOM 0 HB THR A 55 35.693 62.749 -34.929 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.238 64.423 -33.172 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.023 61.620 -33.522 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.347 60.528 -33.993 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.296 61.207 -32.349 1.00 0.00 H new ATOM 908 N GLU A 56 37.334 60.051 -32.972 1.00 0.00 N ATOM 909 CA GLU A 56 37.745 58.617 -33.002 1.00 0.00 C ATOM 910 C GLU A 56 39.273 58.531 -32.883 1.00 0.00 C ATOM 911 O GLU A 56 39.866 59.211 -32.071 1.00 0.00 O ATOM 912 CB GLU A 56 37.248 57.949 -34.285 1.00 0.00 C ATOM 913 CG GLU A 56 35.731 57.756 -34.201 1.00 0.00 C ATOM 914 CD GLU A 56 35.252 56.945 -35.405 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.329 55.728 -35.345 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.813 57.552 -36.368 1.00 0.00 O ATOM 0 H GLU A 56 36.647 60.287 -32.256 1.00 0.00 H new ATOM 0 HA GLU A 56 37.297 58.086 -32.162 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.501 58.563 -35.150 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.741 56.987 -34.422 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.470 57.242 -33.276 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.231 58.724 -34.180 1.00 0.00 H new ATOM 923 N ALA A 57 39.925 57.706 -33.660 1.00 0.00 N ATOM 924 CA ALA A 57 41.408 57.603 -33.545 1.00 0.00 C ATOM 925 C ALA A 57 42.015 59.006 -33.462 1.00 0.00 C ATOM 926 O ALA A 57 41.486 59.956 -34.003 1.00 0.00 O ATOM 927 CB ALA A 57 41.968 56.868 -34.765 1.00 0.00 C ATOM 0 H ALA A 57 39.498 57.104 -34.364 1.00 0.00 H new ATOM 0 HA ALA A 57 41.663 57.047 -32.643 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.052 56.794 -34.679 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.539 55.867 -34.816 1.00 0.00 H new ATOM 0 HB3 ALA A 57 41.713 57.419 -35.670 1.00 0.00 H new ATOM 933 N GLU A 58 43.118 59.141 -32.778 1.00 0.00 N ATOM 934 CA GLU A 58 43.759 60.481 -32.648 1.00 0.00 C ATOM 935 C GLU A 58 45.221 60.303 -32.241 1.00 0.00 C ATOM 936 O GLU A 58 46.021 61.155 -32.592 1.00 0.00 O ATOM 937 CB GLU A 58 43.027 61.292 -31.575 1.00 0.00 C ATOM 938 CG GLU A 58 43.350 60.722 -30.191 1.00 0.00 C ATOM 939 CD GLU A 58 42.742 59.326 -30.055 1.00 0.00 C ATOM 940 OE1 GLU A 58 41.686 59.103 -30.625 1.00 0.00 O ATOM 941 OE2 GLU A 58 43.341 58.502 -29.384 1.00 0.00 O ATOM 942 OXT GLU A 58 45.516 59.319 -31.582 1.00 0.00 O ATOM 0 H GLU A 58 43.604 58.380 -32.303 1.00 0.00 H new ATOM 0 HA GLU A 58 43.706 61.007 -33.601 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.327 62.338 -31.628 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.952 61.260 -31.751 1.00 0.00 H new ATOM 0 HG2 GLU A 58 44.430 60.674 -30.049 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.955 61.378 -29.415 1.00 0.00 H new