USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 496 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 1 ALA N :NH3+ -175:sc= -0.254 (180deg=-0.278) USER MOD Single : A 4 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.48) USER MOD Single : A 9 ASN : amide:sc= -2.51! C(o=-2.5!,f=-11!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 21 SER OG : rot -35:sc= -0.148 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.0949 (180deg=-0.613) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.865 3.388 12.664 1.00 0.00 N ATOM 2 CA ALA A 1 6.630 3.090 11.419 1.00 0.00 C ATOM 3 C ALA A 1 5.678 3.072 10.230 1.00 0.00 C ATOM 4 O ALA A 1 6.088 2.809 9.099 1.00 0.00 O ATOM 5 CB ALA A 1 7.314 1.729 11.558 1.00 0.00 C ATOM 0 H1 ALA A 1 6.525 3.484 13.462 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.336 4.275 12.543 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.200 2.612 12.857 1.00 0.00 H new ATOM 0 HA ALA A 1 7.386 3.859 11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.874 1.509 10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.996 1.750 12.408 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.560 0.957 11.716 1.00 0.00 H new ATOM 13 N LEU A 2 4.403 3.353 10.488 1.00 0.00 N ATOM 14 CA LEU A 2 3.394 3.364 9.425 1.00 0.00 C ATOM 15 C LEU A 2 3.141 4.789 8.952 1.00 0.00 C ATOM 16 O LEU A 2 2.852 5.680 9.751 1.00 0.00 O ATOM 17 CB LEU A 2 2.090 2.750 9.946 1.00 0.00 C ATOM 18 CG LEU A 2 2.360 1.344 10.501 1.00 0.00 C ATOM 19 CD1 LEU A 2 1.081 0.793 11.137 1.00 0.00 C ATOM 20 CD2 LEU A 2 2.806 0.408 9.366 1.00 0.00 C ATOM 0 H LEU A 2 4.043 3.575 11.416 1.00 0.00 H new ATOM 0 HA LEU A 2 3.760 2.776 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.666 3.383 10.725 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.355 2.698 9.142 1.00 0.00 H new ATOM 0 HG LEU A 2 3.150 1.402 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.272 -0.205 11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.766 1.450 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.294 0.742 10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.995 -0.587 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.021 0.351 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.718 0.795 8.912 1.00 0.00 H new ATOM 32 N GLU A 3 3.259 5.004 7.642 1.00 0.00 N ATOM 33 CA GLU A 3 3.044 6.333 7.069 1.00 0.00 C ATOM 34 C GLU A 3 1.573 6.496 6.677 1.00 0.00 C ATOM 35 O GLU A 3 0.682 6.039 7.391 1.00 0.00 O ATOM 36 CB GLU A 3 3.938 6.524 5.828 1.00 0.00 C ATOM 37 CG GLU A 3 4.245 8.016 5.629 1.00 0.00 C ATOM 38 CD GLU A 3 5.059 8.221 4.356 1.00 0.00 C ATOM 39 OE1 GLU A 3 5.190 7.273 3.600 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.537 9.326 4.155 1.00 0.00 O ATOM 0 H GLU A 3 3.500 4.282 6.963 1.00 0.00 H new ATOM 0 HA GLU A 3 3.304 7.086 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.866 5.966 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.439 6.126 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.315 8.581 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.797 8.399 6.488 1.00 0.00 H new ATOM 47 N ASN A 4 1.332 7.157 5.544 1.00 0.00 N ATOM 48 CA ASN A 4 -0.031 7.383 5.067 1.00 0.00 C ATOM 49 C ASN A 4 -0.510 6.209 4.212 1.00 0.00 C ATOM 50 O ASN A 4 -1.600 6.244 3.646 1.00 0.00 O ATOM 51 CB ASN A 4 -0.087 8.678 4.250 1.00 0.00 C ATOM 52 CG ASN A 4 -1.536 9.091 4.022 1.00 0.00 C ATOM 53 OD1 ASN A 4 -2.266 9.347 4.979 1.00 0.00 O ATOM 54 ND2 ASN A 4 -2.003 9.165 2.805 1.00 0.00 N ATOM 0 H ASN A 4 2.060 7.543 4.943 1.00 0.00 H new ATOM 0 HA ASN A 4 -0.689 7.470 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.447 9.471 4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.414 8.535 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.974 9.435 2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.397 8.953 2.012 1.00 0.00 H new ATOM 61 N LEU A 5 0.322 5.178 4.103 1.00 0.00 N ATOM 62 CA LEU A 5 -0.032 4.007 3.301 1.00 0.00 C ATOM 63 C LEU A 5 -1.169 3.217 3.954 1.00 0.00 C ATOM 64 O LEU A 5 -2.335 3.398 3.622 1.00 0.00 O ATOM 65 CB LEU A 5 1.195 3.096 3.128 1.00 0.00 C ATOM 66 CG LEU A 5 0.827 1.853 2.295 1.00 0.00 C ATOM 67 CD1 LEU A 5 0.296 2.279 0.916 1.00 0.00 C ATOM 68 CD2 LEU A 5 2.070 0.976 2.115 1.00 0.00 C ATOM 0 H LEU A 5 1.236 5.127 4.553 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.368 4.356 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.998 3.646 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.569 2.789 4.105 1.00 0.00 H new ATOM 0 HG LEU A 5 0.052 1.291 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.039 1.393 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.591 2.899 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.063 2.847 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.812 0.096 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.844 1.544 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.439 0.663 3.092 1.00 0.00 H new ATOM 80 N VAL A 6 -0.815 2.326 4.871 1.00 0.00 N ATOM 81 CA VAL A 6 -1.814 1.493 5.546 1.00 0.00 C ATOM 82 C VAL A 6 -3.066 2.306 5.888 1.00 0.00 C ATOM 83 O VAL A 6 -4.184 1.904 5.580 1.00 0.00 O ATOM 84 CB VAL A 6 -1.217 0.908 6.828 1.00 0.00 C ATOM 85 CG1 VAL A 6 -2.275 0.075 7.554 1.00 0.00 C ATOM 86 CG2 VAL A 6 -0.026 0.015 6.471 1.00 0.00 C ATOM 0 H VAL A 6 0.147 2.159 5.166 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.100 0.687 4.871 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.887 1.719 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.848 -0.341 8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.126 0.708 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.607 -0.737 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.401 -0.403 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.360 -0.795 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.730 0.606 5.954 1.00 0.00 H new ATOM 96 N VAL A 7 -2.873 3.445 6.530 1.00 0.00 N ATOM 97 CA VAL A 7 -3.997 4.305 6.917 1.00 0.00 C ATOM 98 C VAL A 7 -5.059 4.362 5.799 1.00 0.00 C ATOM 99 O VAL A 7 -6.240 4.554 6.067 1.00 0.00 O ATOM 100 CB VAL A 7 -3.481 5.739 7.247 1.00 0.00 C ATOM 101 CG1 VAL A 7 -1.988 5.681 7.569 1.00 0.00 C ATOM 102 CG2 VAL A 7 -3.686 6.688 6.053 1.00 0.00 C ATOM 0 H VAL A 7 -1.956 3.802 6.797 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.465 3.881 7.806 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.045 6.114 8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.626 6.683 7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.826 5.030 8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.445 5.289 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.318 7.681 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.138 6.310 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.748 6.746 5.812 1.00 0.00 H new ATOM 112 N LEU A 8 -4.620 4.224 4.548 1.00 0.00 N ATOM 113 CA LEU A 8 -5.543 4.303 3.413 1.00 0.00 C ATOM 114 C LEU A 8 -6.665 3.271 3.542 1.00 0.00 C ATOM 115 O LEU A 8 -7.819 3.628 3.783 1.00 0.00 O ATOM 116 CB LEU A 8 -4.777 4.078 2.087 1.00 0.00 C ATOM 117 CG LEU A 8 -5.491 4.785 0.910 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.953 4.324 0.841 1.00 0.00 C ATOM 119 CD2 LEU A 8 -5.433 6.325 1.099 1.00 0.00 C ATOM 0 H LEU A 8 -3.646 4.059 4.295 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.989 5.298 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.760 4.458 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.701 3.010 1.883 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.987 4.524 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.453 4.823 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.988 3.245 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.458 4.575 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.938 6.813 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.927 6.596 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.393 6.649 1.132 1.00 0.00 H new ATOM 131 N ASN A 9 -6.320 1.997 3.377 1.00 0.00 N ATOM 132 CA ASN A 9 -7.309 0.927 3.470 1.00 0.00 C ATOM 133 C ASN A 9 -7.786 0.761 4.907 1.00 0.00 C ATOM 134 O ASN A 9 -8.949 0.443 5.152 1.00 0.00 O ATOM 135 CB ASN A 9 -6.713 -0.392 2.963 1.00 0.00 C ATOM 136 CG ASN A 9 -5.487 -0.764 3.786 1.00 0.00 C ATOM 137 OD1 ASN A 9 -4.738 0.115 4.210 1.00 0.00 O ATOM 138 ND2 ASN A 9 -5.236 -2.019 4.045 1.00 0.00 N ATOM 0 H ASN A 9 -5.370 1.682 3.180 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.163 1.195 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.458 -1.185 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.440 -0.296 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.418 -2.272 4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.858 -2.747 3.693 1.00 0.00 H new ATOM 145 N ALA A 10 -6.878 0.974 5.854 1.00 0.00 N ATOM 146 CA ALA A 10 -7.223 0.844 7.264 1.00 0.00 C ATOM 147 C ALA A 10 -8.295 1.866 7.647 1.00 0.00 C ATOM 148 O ALA A 10 -9.306 1.516 8.251 1.00 0.00 O ATOM 149 CB ALA A 10 -5.968 1.044 8.130 1.00 0.00 C ATOM 0 H ALA A 10 -5.908 1.234 5.673 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.620 -0.156 7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.233 0.946 9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.224 0.291 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.557 2.037 7.951 1.00 0.00 H new ATOM 155 N ALA A 11 -8.061 3.130 7.294 1.00 0.00 N ATOM 156 CA ALA A 11 -9.013 4.191 7.613 1.00 0.00 C ATOM 157 C ALA A 11 -10.336 3.971 6.889 1.00 0.00 C ATOM 158 O ALA A 11 -11.408 4.201 7.451 1.00 0.00 O ATOM 159 CB ALA A 11 -8.440 5.551 7.204 1.00 0.00 C ATOM 0 H ALA A 11 -7.229 3.441 6.792 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.190 4.172 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.157 6.336 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.510 5.731 7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.245 5.556 6.132 1.00 0.00 H new ATOM 165 N SER A 12 -10.252 3.524 5.642 1.00 0.00 N ATOM 166 CA SER A 12 -11.453 3.277 4.853 1.00 0.00 C ATOM 167 C SER A 12 -12.299 2.184 5.494 1.00 0.00 C ATOM 168 O SER A 12 -13.512 2.330 5.645 1.00 0.00 O ATOM 169 CB SER A 12 -11.065 2.860 3.434 1.00 0.00 C ATOM 170 OG SER A 12 -12.245 2.646 2.671 1.00 0.00 O ATOM 0 H SER A 12 -9.375 3.327 5.159 1.00 0.00 H new ATOM 0 HA SER A 12 -12.038 4.196 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.452 3.633 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.465 1.951 3.461 1.00 0.00 H new ATOM 0 HG SER A 12 -12.002 2.380 1.760 1.00 0.00 H new ATOM 176 N VAL A 13 -11.651 1.088 5.870 1.00 0.00 N ATOM 177 CA VAL A 13 -12.351 -0.024 6.500 1.00 0.00 C ATOM 178 C VAL A 13 -12.702 0.307 7.948 1.00 0.00 C ATOM 179 O VAL A 13 -13.819 0.058 8.401 1.00 0.00 O ATOM 180 CB VAL A 13 -11.480 -1.281 6.453 1.00 0.00 C ATOM 181 CG1 VAL A 13 -12.229 -2.444 7.105 1.00 0.00 C ATOM 182 CG2 VAL A 13 -11.169 -1.627 4.995 1.00 0.00 C ATOM 0 H VAL A 13 -10.648 0.946 5.751 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.276 -0.203 5.952 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.550 -1.102 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.609 -3.340 7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.454 -2.196 8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.159 -2.626 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.548 -2.522 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.100 -1.808 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.637 -0.797 4.530 1.00 0.00 H new ATOM 192 N ALA A 14 -11.736 0.864 8.670 1.00 0.00 N ATOM 193 CA ALA A 14 -11.946 1.216 10.069 1.00 0.00 C ATOM 194 C ALA A 14 -13.177 2.105 10.225 1.00 0.00 C ATOM 195 O ALA A 14 -14.115 1.758 10.942 1.00 0.00 O ATOM 196 CB ALA A 14 -10.720 1.948 10.615 1.00 0.00 C ATOM 0 H ALA A 14 -10.806 1.080 8.312 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.103 0.295 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.887 2.207 11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.845 1.302 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.553 2.858 10.038 1.00 0.00 H new ATOM 202 N GLY A 15 -13.169 3.252 9.546 1.00 0.00 N ATOM 203 CA GLY A 15 -14.292 4.183 9.614 1.00 0.00 C ATOM 204 C GLY A 15 -14.119 5.167 10.767 1.00 0.00 C ATOM 205 O GLY A 15 -14.908 6.098 10.926 1.00 0.00 O ATOM 0 H GLY A 15 -12.402 3.556 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.373 4.729 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.222 3.628 9.741 1.00 0.00 H new ATOM 209 N ALA A 16 -13.081 4.953 11.571 1.00 0.00 N ATOM 210 CA ALA A 16 -12.813 5.828 12.709 1.00 0.00 C ATOM 211 C ALA A 16 -12.465 7.237 12.237 1.00 0.00 C ATOM 212 O ALA A 16 -12.848 8.225 12.863 1.00 0.00 O ATOM 213 CB ALA A 16 -11.657 5.267 13.540 1.00 0.00 C ATOM 0 H ALA A 16 -12.416 4.188 11.457 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.713 5.876 13.323 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.464 5.926 14.387 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.920 4.274 13.905 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.762 5.201 12.921 1.00 0.00 H new ATOM 219 N HIS A 17 -11.736 7.322 11.127 1.00 0.00 N ATOM 220 CA HIS A 17 -11.334 8.612 10.570 1.00 0.00 C ATOM 221 C HIS A 17 -12.433 9.159 9.660 1.00 0.00 C ATOM 222 O HIS A 17 -12.200 10.078 8.875 1.00 0.00 O ATOM 223 CB HIS A 17 -10.025 8.460 9.776 1.00 0.00 C ATOM 224 CG HIS A 17 -8.845 8.520 10.711 1.00 0.00 C ATOM 225 ND1 HIS A 17 -8.659 7.595 11.726 1.00 0.00 N ATOM 226 CD2 HIS A 17 -7.788 9.392 10.800 1.00 0.00 C ATOM 227 CE1 HIS A 17 -7.529 7.928 12.377 1.00 0.00 C ATOM 228 NE2 HIS A 17 -6.959 9.017 11.853 1.00 0.00 N ATOM 0 H HIS A 17 -11.412 6.514 10.596 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.173 9.312 11.390 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.025 7.512 9.237 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.949 9.251 9.030 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.625 10.240 10.151 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.132 7.382 13.220 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.101 9.475 12.159 1.00 0.00 H new ATOM 236 N GLY A 18 -13.623 8.581 9.762 1.00 0.00 N ATOM 237 CA GLY A 18 -14.743 9.020 8.939 1.00 0.00 C ATOM 238 C GLY A 18 -15.121 10.461 9.264 1.00 0.00 C ATOM 239 O GLY A 18 -15.232 11.302 8.372 1.00 0.00 O ATOM 0 H GLY A 18 -13.837 7.814 10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.480 8.937 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.600 8.368 9.106 1.00 0.00 H new ATOM 243 N ILE A 19 -15.317 10.734 10.549 1.00 0.00 N ATOM 244 CA ILE A 19 -15.684 12.071 10.998 1.00 0.00 C ATOM 245 C ILE A 19 -14.528 13.038 10.770 1.00 0.00 C ATOM 246 O ILE A 19 -14.726 14.183 10.364 1.00 0.00 O ATOM 247 CB ILE A 19 -16.057 12.053 12.486 1.00 0.00 C ATOM 248 CG1 ILE A 19 -17.075 10.933 12.759 1.00 0.00 C ATOM 249 CG2 ILE A 19 -16.685 13.396 12.863 1.00 0.00 C ATOM 250 CD1 ILE A 19 -18.232 11.000 11.754 1.00 0.00 C ATOM 0 H ILE A 19 -15.228 10.047 11.298 1.00 0.00 H new ATOM 0 HA ILE A 19 -16.547 12.403 10.421 1.00 0.00 H new ATOM 0 HB ILE A 19 -15.158 11.878 13.078 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.583 9.963 12.692 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.462 11.025 13.774 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.952 13.389 13.920 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -15.971 14.197 12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -17.580 13.560 12.264 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -18.942 10.200 11.963 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -18.735 11.963 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -17.843 10.885 10.743 1.00 0.00 H new ATOM 262 N LEU A 20 -13.317 12.563 11.043 1.00 0.00 N ATOM 263 CA LEU A 20 -12.128 13.386 10.860 1.00 0.00 C ATOM 264 C LEU A 20 -11.903 13.659 9.375 1.00 0.00 C ATOM 265 O LEU A 20 -11.571 14.778 8.983 1.00 0.00 O ATOM 266 CB LEU A 20 -10.901 12.684 11.463 1.00 0.00 C ATOM 267 CG LEU A 20 -10.855 12.928 12.974 1.00 0.00 C ATOM 268 CD1 LEU A 20 -12.114 12.355 13.624 1.00 0.00 C ATOM 269 CD2 LEU A 20 -9.619 12.245 13.564 1.00 0.00 C ATOM 0 H LEU A 20 -13.134 11.621 11.389 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.275 14.336 11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.946 11.614 11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.990 13.059 10.997 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.805 14.000 13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.080 12.529 14.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.994 12.843 13.205 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.167 11.283 13.432 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.586 12.419 14.640 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.668 11.173 13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.721 12.656 13.102 1.00 0.00 H new ATOM 281 N SER A 21 -12.081 12.626 8.558 1.00 0.00 N ATOM 282 CA SER A 21 -11.894 12.764 7.120 1.00 0.00 C ATOM 283 C SER A 21 -12.919 13.725 6.536 1.00 0.00 C ATOM 284 O SER A 21 -12.587 14.582 5.731 1.00 0.00 O ATOM 285 CB SER A 21 -12.014 11.399 6.441 1.00 0.00 C ATOM 286 OG SER A 21 -13.296 10.851 6.716 1.00 0.00 O ATOM 0 H SER A 21 -12.352 11.692 8.865 1.00 0.00 H new ATOM 0 HA SER A 21 -10.897 13.167 6.940 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.872 11.501 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.234 10.729 6.803 1.00 0.00 H new ATOM 0 HG SER A 21 -13.573 11.105 7.621 1.00 0.00 H new ATOM 292 N PHE A 22 -14.169 13.574 6.950 1.00 0.00 N ATOM 293 CA PHE A 22 -15.232 14.443 6.461 1.00 0.00 C ATOM 294 C PHE A 22 -15.029 15.875 6.964 1.00 0.00 C ATOM 295 O PHE A 22 -15.502 16.829 6.346 1.00 0.00 O ATOM 296 CB PHE A 22 -16.608 13.901 6.918 1.00 0.00 C ATOM 297 CG PHE A 22 -17.250 13.091 5.807 1.00 0.00 C ATOM 298 CD1 PHE A 22 -17.754 13.750 4.678 1.00 0.00 C ATOM 299 CD2 PHE A 22 -17.340 11.698 5.903 1.00 0.00 C ATOM 300 CE1 PHE A 22 -18.345 13.014 3.645 1.00 0.00 C ATOM 301 CE2 PHE A 22 -17.932 10.962 4.869 1.00 0.00 C ATOM 302 CZ PHE A 22 -18.435 11.619 3.741 1.00 0.00 C ATOM 0 H PHE A 22 -14.471 12.865 7.618 1.00 0.00 H new ATOM 0 HA PHE A 22 -15.201 14.456 5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -16.486 13.280 7.806 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -17.259 14.730 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.686 14.825 4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.953 11.190 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -18.732 13.521 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -18.000 9.887 4.942 1.00 0.00 H new ATOM 0 HZ PHE A 22 -18.893 11.051 2.944 1.00 0.00 H new ATOM 312 N LEU A 23 -14.341 16.016 8.093 1.00 0.00 N ATOM 313 CA LEU A 23 -14.105 17.335 8.675 1.00 0.00 C ATOM 314 C LEU A 23 -13.301 18.229 7.729 1.00 0.00 C ATOM 315 O LEU A 23 -13.583 19.420 7.601 1.00 0.00 O ATOM 316 CB LEU A 23 -13.342 17.195 10.002 1.00 0.00 C ATOM 317 CG LEU A 23 -13.534 18.465 10.863 1.00 0.00 C ATOM 318 CD1 LEU A 23 -14.819 18.348 11.693 1.00 0.00 C ATOM 319 CD2 LEU A 23 -12.341 18.636 11.809 1.00 0.00 C ATOM 0 H LEU A 23 -13.940 15.241 8.620 1.00 0.00 H new ATOM 0 HA LEU A 23 -15.077 17.798 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.700 16.320 10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.282 17.036 9.806 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.606 19.329 10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.946 19.247 12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -15.674 18.235 11.026 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.752 17.479 12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.481 19.532 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.267 17.766 12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.425 18.731 11.226 1.00 0.00 H new ATOM 331 N VAL A 24 -12.300 17.646 7.069 1.00 0.00 N ATOM 332 CA VAL A 24 -11.469 18.407 6.140 1.00 0.00 C ATOM 333 C VAL A 24 -12.259 18.728 4.870 1.00 0.00 C ATOM 334 O VAL A 24 -12.080 19.783 4.262 1.00 0.00 O ATOM 335 CB VAL A 24 -10.179 17.611 5.800 1.00 0.00 C ATOM 336 CG1 VAL A 24 -10.423 16.657 4.620 1.00 0.00 C ATOM 337 CG2 VAL A 24 -9.049 18.584 5.428 1.00 0.00 C ATOM 0 H VAL A 24 -12.048 16.662 7.159 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.178 19.346 6.611 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.897 17.029 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.507 16.110 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.213 15.952 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.723 17.232 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.147 18.020 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.347 19.174 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.850 19.249 6.268 1.00 0.00 H new ATOM 347 N PHE A 25 -13.120 17.798 4.469 1.00 0.00 N ATOM 348 CA PHE A 25 -13.922 17.980 3.267 1.00 0.00 C ATOM 349 C PHE A 25 -14.936 19.106 3.466 1.00 0.00 C ATOM 350 O PHE A 25 -15.095 19.969 2.605 1.00 0.00 O ATOM 351 CB PHE A 25 -14.649 16.659 2.912 1.00 0.00 C ATOM 352 CG PHE A 25 -14.578 16.408 1.420 1.00 0.00 C ATOM 353 CD1 PHE A 25 -15.565 16.930 0.575 1.00 0.00 C ATOM 354 CD2 PHE A 25 -13.517 15.667 0.884 1.00 0.00 C ATOM 355 CE1 PHE A 25 -15.494 16.708 -0.805 1.00 0.00 C ATOM 356 CE2 PHE A 25 -13.446 15.447 -0.496 1.00 0.00 C ATOM 357 CZ PHE A 25 -14.433 15.967 -1.342 1.00 0.00 C ATOM 0 H PHE A 25 -13.279 16.916 4.956 1.00 0.00 H new ATOM 0 HA PHE A 25 -13.262 18.253 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.193 15.828 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -15.690 16.711 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -16.381 17.504 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.755 15.266 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.257 17.108 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.628 14.875 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.377 15.797 -2.407 1.00 0.00 H new ATOM 367 N PHE A 26 -15.617 19.083 4.609 1.00 0.00 N ATOM 368 CA PHE A 26 -16.618 20.099 4.911 1.00 0.00 C ATOM 369 C PHE A 26 -15.998 21.492 4.834 1.00 0.00 C ATOM 370 O PHE A 26 -16.683 22.467 4.528 1.00 0.00 O ATOM 371 CB PHE A 26 -17.210 19.861 6.319 1.00 0.00 C ATOM 372 CG PHE A 26 -18.436 18.971 6.226 1.00 0.00 C ATOM 373 CD1 PHE A 26 -19.559 19.416 5.519 1.00 0.00 C ATOM 374 CD2 PHE A 26 -18.447 17.713 6.839 1.00 0.00 C ATOM 375 CE1 PHE A 26 -20.694 18.603 5.426 1.00 0.00 C ATOM 376 CE2 PHE A 26 -19.584 16.900 6.746 1.00 0.00 C ATOM 377 CZ PHE A 26 -20.707 17.345 6.040 1.00 0.00 C ATOM 0 H PHE A 26 -15.495 18.377 5.335 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.418 20.030 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.462 19.397 6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.477 20.814 6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.549 20.387 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.580 17.369 7.383 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.560 18.946 4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.594 15.929 7.219 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.584 16.718 5.969 1.00 0.00 H new ATOM 387 N SER A 27 -14.703 21.576 5.117 1.00 0.00 N ATOM 388 CA SER A 27 -14.011 22.855 5.074 1.00 0.00 C ATOM 389 C SER A 27 -14.147 23.474 3.692 1.00 0.00 C ATOM 390 O SER A 27 -14.261 24.693 3.557 1.00 0.00 O ATOM 391 CB SER A 27 -12.530 22.664 5.409 1.00 0.00 C ATOM 392 OG SER A 27 -12.413 21.957 6.636 1.00 0.00 O ATOM 0 H SER A 27 -14.118 20.782 5.376 1.00 0.00 H new ATOM 0 HA SER A 27 -14.460 23.521 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.033 22.114 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.035 23.632 5.485 1.00 0.00 H new ATOM 0 HG SER A 27 -11.465 21.832 6.852 1.00 0.00 H new ATOM 398 N ALA A 28 -14.135 22.629 2.666 1.00 0.00 N ATOM 399 CA ALA A 28 -14.265 23.106 1.297 1.00 0.00 C ATOM 400 C ALA A 28 -15.657 23.683 1.065 1.00 0.00 C ATOM 401 O ALA A 28 -15.809 24.701 0.391 1.00 0.00 O ATOM 402 CB ALA A 28 -14.014 21.960 0.315 1.00 0.00 C ATOM 0 H ALA A 28 -14.037 21.618 2.757 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.525 23.889 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.114 22.328 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.008 21.568 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.741 21.167 0.488 1.00 0.00 H new ATOM 408 N ALA A 29 -16.670 23.025 1.630 1.00 0.00 N ATOM 409 CA ALA A 29 -18.047 23.481 1.475 1.00 0.00 C ATOM 410 C ALA A 29 -18.156 24.961 1.814 1.00 0.00 C ATOM 411 O ALA A 29 -18.934 25.695 1.206 1.00 0.00 O ATOM 412 CB ALA A 29 -18.973 22.679 2.392 1.00 0.00 C ATOM 0 H ALA A 29 -16.562 22.182 2.194 1.00 0.00 H new ATOM 0 HA ALA A 29 -18.346 23.330 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.998 23.027 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.915 21.622 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.666 22.816 3.429 1.00 0.00 H new ATOM 418 N TRP A 30 -17.366 25.391 2.786 1.00 0.00 N ATOM 419 CA TRP A 30 -17.364 26.788 3.192 1.00 0.00 C ATOM 420 C TRP A 30 -16.564 27.621 2.198 1.00 0.00 C ATOM 421 O TRP A 30 -16.900 28.773 1.925 1.00 0.00 O ATOM 422 CB TRP A 30 -16.774 26.923 4.598 1.00 0.00 C ATOM 423 CG TRP A 30 -17.413 25.918 5.516 1.00 0.00 C ATOM 424 CD1 TRP A 30 -18.558 25.245 5.266 1.00 0.00 C ATOM 425 CD2 TRP A 30 -16.950 25.470 6.824 1.00 0.00 C ATOM 426 NE1 TRP A 30 -18.829 24.412 6.337 1.00 0.00 N ATOM 427 CE2 TRP A 30 -17.867 24.515 7.322 1.00 0.00 C ATOM 428 CE3 TRP A 30 -15.836 25.797 7.618 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -17.686 23.906 8.565 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -15.650 25.185 8.868 1.00 0.00 C ATOM 431 CH2 TRP A 30 -16.572 24.242 9.340 1.00 0.00 C ATOM 0 H TRP A 30 -16.721 24.796 3.306 1.00 0.00 H new ATOM 0 HA TRP A 30 -18.390 27.155 3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -15.696 26.767 4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -16.939 27.932 4.976 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -19.162 25.342 4.376 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -19.641 23.797 6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.119 26.523 7.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -18.401 23.181 8.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -14.791 25.443 9.469 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -16.422 23.775 10.302 1.00 0.00 H new ATOM 442 N TYR A 31 -15.500 27.026 1.661 1.00 0.00 N ATOM 443 CA TYR A 31 -14.656 27.717 0.694 1.00 0.00 C ATOM 444 C TYR A 31 -15.446 28.042 -0.571 1.00 0.00 C ATOM 445 O TYR A 31 -15.382 29.157 -1.088 1.00 0.00 O ATOM 446 CB TYR A 31 -13.448 26.848 0.337 1.00 0.00 C ATOM 447 CG TYR A 31 -12.618 27.551 -0.708 1.00 0.00 C ATOM 448 CD1 TYR A 31 -12.927 27.402 -2.065 1.00 0.00 C ATOM 449 CD2 TYR A 31 -11.540 28.356 -0.321 1.00 0.00 C ATOM 450 CE1 TYR A 31 -12.158 28.058 -3.035 1.00 0.00 C ATOM 451 CE2 TYR A 31 -10.770 29.011 -1.289 1.00 0.00 C ATOM 452 CZ TYR A 31 -11.080 28.862 -2.646 1.00 0.00 C ATOM 453 OH TYR A 31 -10.322 29.508 -3.602 1.00 0.00 O ATOM 0 H TYR A 31 -15.205 26.074 1.878 1.00 0.00 H new ATOM 0 HA TYR A 31 -14.311 28.649 1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.848 26.657 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -13.780 25.880 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.758 26.781 -2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.302 28.472 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.397 27.944 -4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.938 29.631 -0.989 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.614 30.025 -3.164 1.00 0.00 H new ATOM 463 N ILE A 32 -16.191 27.057 -1.062 1.00 0.00 N ATOM 464 CA ILE A 32 -16.995 27.244 -2.266 1.00 0.00 C ATOM 465 C ILE A 32 -18.163 28.186 -1.989 1.00 0.00 C ATOM 466 O ILE A 32 -18.496 29.036 -2.814 1.00 0.00 O ATOM 467 CB ILE A 32 -17.526 25.896 -2.763 1.00 0.00 C ATOM 468 CG1 ILE A 32 -18.411 26.118 -3.991 1.00 0.00 C ATOM 469 CG2 ILE A 32 -18.347 25.232 -1.659 1.00 0.00 C ATOM 470 CD1 ILE A 32 -18.696 24.773 -4.662 1.00 0.00 C ATOM 0 H ILE A 32 -16.255 26.127 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.361 27.685 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.688 25.252 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.346 26.596 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -17.916 26.789 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.725 24.273 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.718 25.073 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.185 25.876 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -19.327 24.929 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.757 24.313 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -19.208 24.117 -3.958 1.00 0.00 H new ATOM 482 N LYS A 33 -18.784 28.024 -0.824 1.00 0.00 N ATOM 483 CA LYS A 33 -19.918 28.862 -0.456 1.00 0.00 C ATOM 484 C LYS A 33 -19.477 30.315 -0.318 1.00 0.00 C ATOM 485 O LYS A 33 -20.127 31.222 -0.839 1.00 0.00 O ATOM 486 CB LYS A 33 -20.526 28.376 0.867 1.00 0.00 C ATOM 487 CG LYS A 33 -21.880 29.072 1.118 1.00 0.00 C ATOM 488 CD LYS A 33 -23.004 28.301 0.415 1.00 0.00 C ATOM 489 CE LYS A 33 -24.352 28.954 0.727 1.00 0.00 C ATOM 490 NZ LYS A 33 -24.636 28.836 2.185 1.00 0.00 N ATOM 0 H LYS A 33 -18.524 27.327 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 33 -20.671 28.793 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -20.664 27.295 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.842 28.587 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -22.078 29.125 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -21.845 30.097 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -22.834 28.293 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -23.007 27.262 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -24.337 30.003 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -25.143 28.473 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -25.659 28.925 2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -24.310 27.910 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -24.137 29.591 2.698 1.00 0.00 H new ATOM 504 N GLY A 34 -18.370 30.532 0.385 1.00 0.00 N ATOM 505 CA GLY A 34 -17.850 31.883 0.586 1.00 0.00 C ATOM 506 C GLY A 34 -18.391 32.487 1.876 1.00 0.00 C ATOM 507 O GLY A 34 -18.189 33.670 2.152 1.00 0.00 O ATOM 0 H GLY A 34 -17.817 29.795 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.761 31.856 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.127 32.513 -0.259 1.00 0.00 H new ATOM 511 N ARG A 35 -19.082 31.668 2.664 1.00 0.00 N ATOM 512 CA ARG A 35 -19.645 32.137 3.924 1.00 0.00 C ATOM 513 C ARG A 35 -18.543 32.308 4.962 1.00 0.00 C ATOM 514 O ARG A 35 -18.714 33.020 5.953 1.00 0.00 O ATOM 515 CB ARG A 35 -20.704 31.148 4.436 1.00 0.00 C ATOM 516 CG ARG A 35 -21.651 31.857 5.429 1.00 0.00 C ATOM 517 CD ARG A 35 -22.820 32.494 4.665 1.00 0.00 C ATOM 518 NE ARG A 35 -23.547 33.419 5.528 1.00 0.00 N ATOM 519 CZ ARG A 35 -23.135 34.671 5.691 1.00 0.00 C ATOM 520 NH1 ARG A 35 -22.061 35.089 5.079 1.00 0.00 N ATOM 521 NH2 ARG A 35 -23.803 35.483 6.465 1.00 0.00 N ATOM 0 H ARG A 35 -19.264 30.686 2.455 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.121 33.103 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -21.275 30.748 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.219 30.303 4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.028 31.142 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.106 32.622 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.445 33.023 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.494 31.717 4.305 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.385 33.099 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.538 34.454 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.744 36.051 5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.642 35.156 6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.486 36.444 6.590 1.00 0.00 H new ATOM 535 N LEU A 36 -17.408 31.655 4.728 1.00 0.00 N ATOM 536 CA LEU A 36 -16.279 31.742 5.649 1.00 0.00 C ATOM 537 C LEU A 36 -15.909 33.198 5.933 1.00 0.00 C ATOM 538 O LEU A 36 -15.000 33.470 6.717 1.00 0.00 O ATOM 539 CB LEU A 36 -15.065 31.025 5.048 1.00 0.00 C ATOM 540 CG LEU A 36 -14.562 31.788 3.788 1.00 0.00 C ATOM 541 CD1 LEU A 36 -13.283 32.570 4.118 1.00 0.00 C ATOM 542 CD2 LEU A 36 -14.265 30.794 2.658 1.00 0.00 C ATOM 0 H LEU A 36 -17.246 31.063 3.913 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.570 31.267 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -14.267 30.963 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.332 30.003 4.781 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.339 32.483 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.941 33.100 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.490 33.288 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.509 31.878 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.914 31.336 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.497 30.092 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.173 30.246 2.407 1.00 0.00 H new ATOM 554 N ALA A 37 -16.620 34.131 5.294 1.00 0.00 N ATOM 555 CA ALA A 37 -16.363 35.556 5.489 1.00 0.00 C ATOM 556 C ALA A 37 -16.062 35.850 6.966 1.00 0.00 C ATOM 557 O ALA A 37 -16.333 35.025 7.839 1.00 0.00 O ATOM 558 CB ALA A 37 -17.590 36.372 5.019 1.00 0.00 C ATOM 0 H ALA A 37 -17.375 33.924 4.640 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.493 35.844 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.398 37.435 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.773 36.178 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.465 36.079 5.598 1.00 0.00 H new ATOM 564 N PRO A 38 -15.521 37.004 7.253 1.00 0.00 N ATOM 565 CA PRO A 38 -15.188 37.404 8.647 1.00 0.00 C ATOM 566 C PRO A 38 -16.283 36.990 9.631 1.00 0.00 C ATOM 567 O PRO A 38 -17.453 37.328 9.452 1.00 0.00 O ATOM 568 CB PRO A 38 -15.068 38.932 8.561 1.00 0.00 C ATOM 569 CG PRO A 38 -14.657 39.220 7.145 1.00 0.00 C ATOM 570 CD PRO A 38 -15.163 38.051 6.281 1.00 0.00 C ATOM 0 HA PRO A 38 -14.281 36.924 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.015 39.415 8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.330 39.309 9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.083 40.164 6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.574 39.314 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.023 38.345 5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.394 37.706 5.590 1.00 0.00 H new ATOM 578 N GLY A 39 -15.890 36.263 10.671 1.00 0.00 N ATOM 579 CA GLY A 39 -16.843 35.810 11.676 1.00 0.00 C ATOM 580 C GLY A 39 -16.211 34.765 12.587 1.00 0.00 C ATOM 581 O GLY A 39 -15.211 35.033 13.253 1.00 0.00 O ATOM 0 H GLY A 39 -14.926 35.977 10.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.184 36.658 12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.722 35.389 11.187 1.00 0.00 H new ATOM 585 N ALA A 40 -16.802 33.570 12.614 1.00 0.00 N ATOM 586 CA ALA A 40 -16.286 32.482 13.449 1.00 0.00 C ATOM 587 C ALA A 40 -15.373 31.566 12.639 1.00 0.00 C ATOM 588 O ALA A 40 -14.648 30.744 13.201 1.00 0.00 O ATOM 589 CB ALA A 40 -17.449 31.669 14.020 1.00 0.00 C ATOM 0 H ALA A 40 -17.632 33.331 12.072 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.709 32.919 14.265 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.059 30.862 14.640 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.083 32.317 14.625 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.035 31.248 13.203 1.00 0.00 H new ATOM 595 N ALA A 41 -15.411 31.711 11.318 1.00 0.00 N ATOM 596 CA ALA A 41 -14.582 30.888 10.442 1.00 0.00 C ATOM 597 C ALA A 41 -13.103 31.175 10.677 1.00 0.00 C ATOM 598 O ALA A 41 -12.235 30.459 10.179 1.00 0.00 O ATOM 599 CB ALA A 41 -14.927 31.170 8.980 1.00 0.00 C ATOM 0 H ALA A 41 -16.002 32.386 10.833 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.779 29.840 10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.304 30.552 8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.977 30.937 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.746 32.222 8.760 1.00 0.00 H new ATOM 605 N TYR A 42 -12.826 32.222 11.440 1.00 0.00 N ATOM 606 CA TYR A 42 -11.450 32.599 11.740 1.00 0.00 C ATOM 607 C TYR A 42 -10.748 31.494 12.525 1.00 0.00 C ATOM 608 O TYR A 42 -9.561 31.236 12.326 1.00 0.00 O ATOM 609 CB TYR A 42 -11.427 33.897 12.545 1.00 0.00 C ATOM 610 CG TYR A 42 -9.999 34.259 12.875 1.00 0.00 C ATOM 611 CD1 TYR A 42 -9.215 34.936 11.932 1.00 0.00 C ATOM 612 CD2 TYR A 42 -9.458 33.917 14.120 1.00 0.00 C ATOM 613 CE1 TYR A 42 -7.890 35.272 12.237 1.00 0.00 C ATOM 614 CE2 TYR A 42 -8.133 34.254 14.424 1.00 0.00 C ATOM 615 CZ TYR A 42 -7.350 34.930 13.481 1.00 0.00 C ATOM 616 OH TYR A 42 -6.044 35.261 13.780 1.00 0.00 O ATOM 0 H TYR A 42 -13.532 32.825 11.862 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.922 32.749 10.798 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.894 34.700 11.975 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.005 33.779 13.462 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -9.632 35.199 10.971 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.062 33.393 14.846 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.285 35.795 11.511 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.716 33.993 15.385 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.827 34.952 14.684 1.00 0.00 H new ATOM 626 N ALA A 43 -11.487 30.856 13.426 1.00 0.00 N ATOM 627 CA ALA A 43 -10.923 29.790 14.247 1.00 0.00 C ATOM 628 C ALA A 43 -10.352 28.675 13.373 1.00 0.00 C ATOM 629 O ALA A 43 -9.264 28.164 13.637 1.00 0.00 O ATOM 630 CB ALA A 43 -12.001 29.215 15.167 1.00 0.00 C ATOM 0 H ALA A 43 -12.471 31.056 13.606 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.116 30.212 14.847 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.573 28.420 15.777 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.384 30.003 15.815 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.816 28.812 14.565 1.00 0.00 H new ATOM 636 N PHE A 44 -11.091 28.304 12.334 1.00 0.00 N ATOM 637 CA PHE A 44 -10.642 27.248 11.430 1.00 0.00 C ATOM 638 C PHE A 44 -9.357 27.658 10.721 1.00 0.00 C ATOM 639 O PHE A 44 -8.294 27.100 10.983 1.00 0.00 O ATOM 640 CB PHE A 44 -11.727 26.953 10.393 1.00 0.00 C ATOM 641 CG PHE A 44 -12.854 26.184 11.044 1.00 0.00 C ATOM 642 CD1 PHE A 44 -13.902 26.873 11.665 1.00 0.00 C ATOM 643 CD2 PHE A 44 -12.853 24.785 11.020 1.00 0.00 C ATOM 644 CE1 PHE A 44 -14.949 26.161 12.264 1.00 0.00 C ATOM 645 CE2 PHE A 44 -13.898 24.074 11.619 1.00 0.00 C ATOM 646 CZ PHE A 44 -14.947 24.763 12.241 1.00 0.00 C ATOM 0 H PHE A 44 -11.995 28.713 12.097 1.00 0.00 H new ATOM 0 HA PHE A 44 -10.447 26.351 12.018 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -12.105 27.885 9.972 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.309 26.376 9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -13.903 27.953 11.682 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.045 24.254 10.539 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.758 26.692 12.744 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.896 22.994 11.602 1.00 0.00 H new ATOM 0 HZ PHE A 44 -15.754 24.214 12.703 1.00 0.00 H new ATOM 656 N TYR A 45 -9.461 28.641 9.829 1.00 0.00 N ATOM 657 CA TYR A 45 -8.296 29.119 9.092 1.00 0.00 C ATOM 658 C TYR A 45 -7.128 29.351 10.043 1.00 0.00 C ATOM 659 O TYR A 45 -5.971 29.395 9.622 1.00 0.00 O ATOM 660 CB TYR A 45 -8.636 30.423 8.355 1.00 0.00 C ATOM 661 CG TYR A 45 -9.411 30.114 7.093 1.00 0.00 C ATOM 662 CD1 TYR A 45 -10.787 29.860 7.159 1.00 0.00 C ATOM 663 CD2 TYR A 45 -8.751 30.080 5.859 1.00 0.00 C ATOM 664 CE1 TYR A 45 -11.502 29.574 5.989 1.00 0.00 C ATOM 665 CE2 TYR A 45 -9.465 29.793 4.691 1.00 0.00 C ATOM 666 CZ TYR A 45 -10.841 29.539 4.755 1.00 0.00 C ATOM 667 OH TYR A 45 -11.545 29.257 3.603 1.00 0.00 O ATOM 0 H TYR A 45 -10.333 29.118 9.601 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.011 28.362 8.362 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.223 31.074 9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.721 30.960 8.108 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.296 29.885 8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.690 30.275 5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.563 29.380 6.039 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.955 29.767 3.739 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.936 29.274 2.835 1.00 0.00 H new ATOM 677 N GLY A 46 -7.442 29.500 11.324 1.00 0.00 N ATOM 678 CA GLY A 46 -6.415 29.722 12.332 1.00 0.00 C ATOM 679 C GLY A 46 -5.513 28.502 12.456 1.00 0.00 C ATOM 680 O GLY A 46 -4.319 28.625 12.734 1.00 0.00 O ATOM 0 H GLY A 46 -8.395 29.471 11.687 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.820 30.596 12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.882 29.935 13.294 1.00 0.00 H new ATOM 684 N VAL A 47 -6.094 27.321 12.240 1.00 0.00 N ATOM 685 CA VAL A 47 -5.342 26.070 12.325 1.00 0.00 C ATOM 686 C VAL A 47 -5.877 25.049 11.320 1.00 0.00 C ATOM 687 O VAL A 47 -6.620 24.139 11.687 1.00 0.00 O ATOM 688 CB VAL A 47 -5.434 25.493 13.745 1.00 0.00 C ATOM 689 CG1 VAL A 47 -4.307 24.474 13.966 1.00 0.00 C ATOM 690 CG2 VAL A 47 -5.305 26.630 14.765 1.00 0.00 C ATOM 0 H VAL A 47 -7.080 27.205 12.006 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.299 26.282 12.089 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.396 24.996 13.871 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.377 24.068 14.975 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.401 23.665 13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.342 24.965 13.839 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.370 26.223 15.774 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.344 27.127 14.636 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.109 27.349 14.612 1.00 0.00 H new ATOM 700 N TRP A 48 -5.493 25.202 10.055 1.00 0.00 N ATOM 701 CA TRP A 48 -5.934 24.280 9.009 1.00 0.00 C ATOM 702 C TRP A 48 -5.040 23.026 8.998 1.00 0.00 C ATOM 703 O TRP A 48 -5.531 21.913 8.812 1.00 0.00 O ATOM 704 CB TRP A 48 -5.890 24.983 7.623 1.00 0.00 C ATOM 705 CG TRP A 48 -7.282 25.246 7.120 1.00 0.00 C ATOM 706 CD1 TRP A 48 -8.282 25.780 7.859 1.00 0.00 C ATOM 707 CD2 TRP A 48 -7.838 24.993 5.798 1.00 0.00 C ATOM 708 NE1 TRP A 48 -9.417 25.871 7.073 1.00 0.00 N ATOM 709 CE2 TRP A 48 -9.194 25.399 5.795 1.00 0.00 C ATOM 710 CE3 TRP A 48 -7.304 24.457 4.613 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -9.991 25.277 4.657 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -8.104 24.332 3.465 1.00 0.00 C ATOM 713 CH2 TRP A 48 -9.445 24.741 3.487 1.00 0.00 C ATOM 0 H TRP A 48 -4.881 25.951 9.730 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.961 23.977 9.216 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.343 25.922 7.703 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.351 24.359 6.910 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.207 26.085 8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.310 26.242 7.398 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.272 24.139 4.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.023 25.594 4.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.684 23.918 2.560 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.055 24.642 2.601 1.00 0.00 H new ATOM 724 N PRO A 49 -3.749 23.190 9.185 1.00 0.00 N ATOM 725 CA PRO A 49 -2.779 22.052 9.187 1.00 0.00 C ATOM 726 C PRO A 49 -3.101 21.023 10.271 1.00 0.00 C ATOM 727 O PRO A 49 -2.371 20.050 10.446 1.00 0.00 O ATOM 728 CB PRO A 49 -1.413 22.725 9.451 1.00 0.00 C ATOM 729 CG PRO A 49 -1.607 24.164 9.097 1.00 0.00 C ATOM 730 CD PRO A 49 -3.063 24.474 9.416 1.00 0.00 C ATOM 0 HA PRO A 49 -2.805 21.494 8.251 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.114 22.613 10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.628 22.273 8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.936 24.802 9.671 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.391 24.341 8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.185 24.814 10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.456 25.260 8.772 1.00 0.00 H new ATOM 738 N LEU A 50 -4.196 21.249 10.993 1.00 0.00 N ATOM 739 CA LEU A 50 -4.598 20.331 12.053 1.00 0.00 C ATOM 740 C LEU A 50 -5.085 19.011 11.463 1.00 0.00 C ATOM 741 O LEU A 50 -4.755 17.936 11.965 1.00 0.00 O ATOM 742 CB LEU A 50 -5.708 20.958 12.908 1.00 0.00 C ATOM 743 CG LEU A 50 -6.067 20.026 14.079 1.00 0.00 C ATOM 744 CD1 LEU A 50 -4.849 19.839 15.005 1.00 0.00 C ATOM 745 CD2 LEU A 50 -7.228 20.638 14.873 1.00 0.00 C ATOM 0 H LEU A 50 -4.814 22.050 10.865 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.730 20.136 12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.380 21.925 13.290 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.591 21.140 12.295 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.361 19.053 13.685 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.117 19.178 15.829 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.026 19.400 14.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.541 20.807 15.402 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.486 19.982 15.704 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.931 21.613 15.260 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.093 20.755 14.220 1.00 0.00 H new ATOM 757 N LEU A 51 -5.883 19.099 10.398 1.00 0.00 N ATOM 758 CA LEU A 51 -6.424 17.903 9.754 1.00 0.00 C ATOM 759 C LEU A 51 -5.427 17.341 8.746 1.00 0.00 C ATOM 760 O LEU A 51 -5.500 16.171 8.372 1.00 0.00 O ATOM 761 CB LEU A 51 -7.749 18.234 9.045 1.00 0.00 C ATOM 762 CG LEU A 51 -8.887 18.375 10.077 1.00 0.00 C ATOM 763 CD1 LEU A 51 -9.173 17.016 10.759 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.479 19.412 11.134 1.00 0.00 C ATOM 0 H LEU A 51 -6.167 19.979 9.966 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.608 17.153 10.523 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.645 19.160 8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.993 17.449 8.330 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.794 18.701 9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.978 17.135 11.484 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.468 16.286 10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.274 16.669 11.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.278 19.518 11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.568 19.083 11.634 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.300 20.373 10.651 1.00 0.00 H new ATOM 776 N LEU A 52 -4.502 18.185 8.305 1.00 0.00 N ATOM 777 CA LEU A 52 -3.503 17.757 7.334 1.00 0.00 C ATOM 778 C LEU A 52 -2.548 16.734 7.955 1.00 0.00 C ATOM 779 O LEU A 52 -2.386 15.627 7.444 1.00 0.00 O ATOM 780 CB LEU A 52 -2.708 18.978 6.833 1.00 0.00 C ATOM 781 CG LEU A 52 -2.120 18.691 5.441 1.00 0.00 C ATOM 782 CD1 LEU A 52 -1.400 19.940 4.923 1.00 0.00 C ATOM 783 CD2 LEU A 52 -1.126 17.521 5.520 1.00 0.00 C ATOM 0 H LEU A 52 -4.423 19.158 8.600 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.014 17.287 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.358 19.852 6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.907 19.212 7.534 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.929 18.426 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.983 19.737 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.108 20.766 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.596 20.207 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.715 17.325 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.317 17.776 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.640 16.631 5.882 1.00 0.00 H new ATOM 795 N LEU A 53 -1.926 17.112 9.070 1.00 0.00 N ATOM 796 CA LEU A 53 -0.989 16.225 9.756 1.00 0.00 C ATOM 797 C LEU A 53 -1.731 15.091 10.471 1.00 0.00 C ATOM 798 O LEU A 53 -1.246 13.965 10.542 1.00 0.00 O ATOM 799 CB LEU A 53 -0.112 17.051 10.757 1.00 0.00 C ATOM 800 CG LEU A 53 -0.701 17.045 12.195 1.00 0.00 C ATOM 801 CD1 LEU A 53 0.320 17.602 13.193 1.00 0.00 C ATOM 802 CD2 LEU A 53 -1.984 17.904 12.239 1.00 0.00 C ATOM 0 H LEU A 53 -2.053 18.021 9.515 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.332 15.767 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.897 16.640 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.031 18.079 10.404 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.940 16.017 12.468 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.108 17.591 14.195 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.219 16.986 13.175 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.576 18.625 12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.393 17.896 13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.746 18.928 11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.720 17.495 11.547 1.00 0.00 H new ATOM 814 N LEU A 54 -2.888 15.414 11.040 1.00 0.00 N ATOM 815 CA LEU A 54 -3.661 14.426 11.786 1.00 0.00 C ATOM 816 C LEU A 54 -4.146 13.306 10.873 1.00 0.00 C ATOM 817 O LEU A 54 -4.054 12.129 11.220 1.00 0.00 O ATOM 818 CB LEU A 54 -4.862 15.101 12.462 1.00 0.00 C ATOM 819 CG LEU A 54 -5.708 14.061 13.224 1.00 0.00 C ATOM 820 CD1 LEU A 54 -4.835 13.316 14.248 1.00 0.00 C ATOM 821 CD2 LEU A 54 -6.849 14.776 13.955 1.00 0.00 C ATOM 0 H LEU A 54 -3.308 16.343 11.000 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.012 13.992 12.547 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.514 15.870 13.151 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.476 15.599 11.712 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.115 13.342 12.513 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.443 12.584 14.780 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.023 12.806 13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.420 14.030 14.960 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.450 14.044 14.495 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.434 15.497 14.660 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.476 15.296 13.231 1.00 0.00 H new ATOM 833 N LEU A 55 -4.668 13.680 9.711 1.00 0.00 N ATOM 834 CA LEU A 55 -5.170 12.698 8.760 1.00 0.00 C ATOM 835 C LEU A 55 -4.020 11.955 8.096 1.00 0.00 C ATOM 836 O LEU A 55 -4.132 10.770 7.777 1.00 0.00 O ATOM 837 CB LEU A 55 -6.028 13.384 7.689 1.00 0.00 C ATOM 838 CG LEU A 55 -6.668 12.320 6.751 1.00 0.00 C ATOM 839 CD1 LEU A 55 -8.122 12.698 6.449 1.00 0.00 C ATOM 840 CD2 LEU A 55 -5.891 12.245 5.429 1.00 0.00 C ATOM 0 H LEU A 55 -4.754 14.650 9.407 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.783 11.981 9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.809 13.978 8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.415 14.071 7.106 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.633 11.352 7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.564 11.949 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.687 12.743 7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.151 13.672 5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.348 11.497 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.917 13.217 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.856 11.967 5.630 1.00 0.00 H new ATOM 852 N ALA A 56 -2.915 12.663 7.880 1.00 0.00 N ATOM 853 CA ALA A 56 -1.753 12.067 7.238 1.00 0.00 C ATOM 854 C ALA A 56 -1.447 10.704 7.845 1.00 0.00 C ATOM 855 O ALA A 56 -1.002 9.792 7.149 1.00 0.00 O ATOM 856 CB ALA A 56 -0.538 12.979 7.403 1.00 0.00 C ATOM 0 H ALA A 56 -2.802 13.643 8.139 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.974 11.942 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.327 12.524 6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.744 13.946 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.329 13.118 8.464 1.00 0.00 H new ATOM 862 N LEU A 57 -1.689 10.571 9.147 1.00 0.00 N ATOM 863 CA LEU A 57 -1.430 9.310 9.836 1.00 0.00 C ATOM 864 C LEU A 57 -2.288 9.195 11.106 1.00 0.00 C ATOM 865 O LEU A 57 -2.679 10.202 11.694 1.00 0.00 O ATOM 866 CB LEU A 57 0.070 9.202 10.197 1.00 0.00 C ATOM 867 CG LEU A 57 0.664 10.601 10.404 1.00 0.00 C ATOM 868 CD1 LEU A 57 -0.097 11.326 11.524 1.00 0.00 C ATOM 869 CD2 LEU A 57 2.140 10.476 10.792 1.00 0.00 C ATOM 0 H LEU A 57 -2.060 11.313 9.741 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.697 8.492 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.192 8.609 11.103 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.607 8.684 9.402 1.00 0.00 H new ATOM 0 HG LEU A 57 0.575 11.170 9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.328 12.319 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.148 11.417 11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.011 10.757 12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.563 11.470 10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.226 9.904 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.683 9.965 9.997 1.00 0.00 H new ATOM 881 N PRO A 58 -2.578 7.987 11.536 1.00 0.00 N ATOM 882 CA PRO A 58 -3.397 7.744 12.763 1.00 0.00 C ATOM 883 C PRO A 58 -2.674 8.186 14.042 1.00 0.00 C ATOM 884 O PRO A 58 -1.458 8.380 14.039 1.00 0.00 O ATOM 885 CB PRO A 58 -3.629 6.220 12.757 1.00 0.00 C ATOM 886 CG PRO A 58 -2.507 5.657 11.940 1.00 0.00 C ATOM 887 CD PRO A 58 -2.169 6.722 10.900 1.00 0.00 C ATOM 0 HA PRO A 58 -4.324 8.318 12.753 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.621 5.816 13.769 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.597 5.970 12.322 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.643 5.434 12.565 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.803 4.724 11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.106 6.722 10.660 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.706 6.553 9.967 1.00 0.00 H new ATOM 895 N PRO A 59 -3.394 8.326 15.132 1.00 0.00 N ATOM 896 CA PRO A 59 -2.803 8.732 16.444 1.00 0.00 C ATOM 897 C PRO A 59 -1.538 7.937 16.776 1.00 0.00 C ATOM 898 O PRO A 59 -0.668 8.416 17.504 1.00 0.00 O ATOM 899 CB PRO A 59 -3.920 8.427 17.457 1.00 0.00 C ATOM 900 CG PRO A 59 -5.197 8.511 16.680 1.00 0.00 C ATOM 901 CD PRO A 59 -4.857 8.129 15.234 1.00 0.00 C ATOM 0 HA PRO A 59 -2.492 9.777 16.446 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.792 7.438 17.896 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.912 9.144 18.278 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.947 7.836 17.093 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.614 9.517 16.727 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.134 7.097 15.021 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.392 8.756 14.521 1.00 0.00 H new ATOM 909 N ARG A 60 -1.448 6.720 16.246 1.00 0.00 N ATOM 910 CA ARG A 60 -0.289 5.870 16.502 1.00 0.00 C ATOM 911 C ARG A 60 0.994 6.578 16.081 1.00 0.00 C ATOM 912 O ARG A 60 1.777 7.020 16.922 1.00 0.00 O ATOM 913 CB ARG A 60 -0.426 4.561 15.723 1.00 0.00 C ATOM 914 CG ARG A 60 -1.670 3.811 16.202 1.00 0.00 C ATOM 915 CD ARG A 60 -1.836 2.526 15.389 1.00 0.00 C ATOM 916 NE ARG A 60 -3.045 1.821 15.807 1.00 0.00 N ATOM 917 CZ ARG A 60 -4.232 2.141 15.303 1.00 0.00 C ATOM 918 NH1 ARG A 60 -4.331 3.098 14.422 1.00 0.00 N ATOM 919 NH2 ARG A 60 -5.301 1.497 15.690 1.00 0.00 N ATOM 0 H ARG A 60 -2.157 6.303 15.642 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.242 5.658 17.570 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.501 4.767 14.655 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.461 3.945 15.867 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.579 3.574 17.262 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.553 4.441 16.091 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.893 2.763 14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.966 1.884 15.526 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.977 1.072 16.496 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.497 3.601 14.120 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.243 3.343 14.036 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.224 0.749 16.379 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.212 1.743 15.303 1.00 0.00 H new ATOM 933 N ALA A 61 1.197 6.690 14.774 1.00 0.00 N ATOM 934 CA ALA A 61 2.385 7.350 14.250 1.00 0.00 C ATOM 935 C ALA A 61 2.317 8.853 14.515 1.00 0.00 C ATOM 936 O ALA A 61 1.390 9.336 15.164 1.00 0.00 O ATOM 937 CB ALA A 61 2.510 7.090 12.746 1.00 0.00 C ATOM 0 H ALA A 61 0.559 6.335 14.062 1.00 0.00 H new ATOM 0 HA ALA A 61 3.261 6.944 14.755 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.401 7.588 12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.588 6.018 12.567 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.630 7.480 12.235 1.00 0.00 H new ATOM 943 N TYR A 62 3.306 9.582 14.010 1.00 0.00 N ATOM 944 CA TYR A 62 3.353 11.028 14.197 1.00 0.00 C ATOM 945 C TYR A 62 4.290 11.670 13.176 1.00 0.00 C ATOM 946 O TYR A 62 5.435 11.247 13.018 1.00 0.00 O ATOM 947 CB TYR A 62 3.824 11.353 15.620 1.00 0.00 C ATOM 948 CG TYR A 62 4.891 10.370 16.033 1.00 0.00 C ATOM 949 CD1 TYR A 62 6.236 10.625 15.738 1.00 0.00 C ATOM 950 CD2 TYR A 62 4.533 9.199 16.711 1.00 0.00 C ATOM 951 CE1 TYR A 62 7.222 9.709 16.123 1.00 0.00 C ATOM 952 CE2 TYR A 62 5.520 8.282 17.095 1.00 0.00 C ATOM 953 CZ TYR A 62 6.864 8.538 16.801 1.00 0.00 C ATOM 954 OH TYR A 62 7.837 7.635 17.180 1.00 0.00 O ATOM 0 H TYR A 62 4.082 9.198 13.471 1.00 0.00 H new ATOM 0 HA TYR A 62 2.352 11.433 14.049 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.215 12.370 15.662 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.983 11.306 16.312 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.512 11.528 15.214 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.496 9.002 16.938 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.260 9.906 15.897 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.244 7.378 17.618 1.00 0.00 H new ATOM 0 HH TYR A 62 7.419 6.878 17.641 1.00 0.00 H new ATOM 964 N ALA A 63 3.797 12.694 12.487 1.00 0.00 N ATOM 965 CA ALA A 63 4.599 13.387 11.485 1.00 0.00 C ATOM 966 C ALA A 63 5.350 12.387 10.611 1.00 0.00 C ATOM 967 O ALA A 63 4.697 11.661 9.880 1.00 0.00 O ATOM 968 CB ALA A 63 5.598 14.321 12.168 1.00 0.00 C ATOM 969 OXT ALA A 63 6.567 12.360 10.688 1.00 0.00 O ATOM 0 H ALA A 63 2.852 13.061 12.603 1.00 0.00 H new ATOM 0 HA ALA A 63 3.929 13.971 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.192 14.834 11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.059 15.056 12.766 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.256 13.740 12.814 1.00 0.00 H new TER 975 ALA A 63