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+ -179:sc= 0 (180deg=-0.0032) USER MOD Single : A 4 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.8) USER MOD Single : A 9 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.6!) USER MOD Single : A 12 SER OG : rot -14:sc= 0.111 USER MOD Single : A 17 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-7.3!) USER MOD Single : A 21 SER OG : rot 81:sc= 0.186 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.581 1.063 11.042 1.00 0.00 N ATOM 2 CA ALA A 1 2.022 0.983 11.417 1.00 0.00 C ATOM 3 C ALA A 1 2.850 1.784 10.416 1.00 0.00 C ATOM 4 O ALA A 1 3.408 2.829 10.753 1.00 0.00 O ATOM 5 CB ALA A 1 2.467 -0.480 11.410 1.00 0.00 C ATOM 0 H1 ALA A 1 0.013 0.532 11.732 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.278 2.058 11.037 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.446 0.655 10.095 1.00 0.00 H new ATOM 0 HA ALA A 1 2.167 1.397 12.415 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.520 -0.541 11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.872 -1.045 12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.326 -0.898 10.413 1.00 0.00 H new ATOM 13 N LEU A 2 2.926 1.286 9.185 1.00 0.00 N ATOM 14 CA LEU A 2 3.693 1.963 8.144 1.00 0.00 C ATOM 15 C LEU A 2 2.947 3.199 7.651 1.00 0.00 C ATOM 16 O LEU A 2 1.724 3.192 7.538 1.00 0.00 O ATOM 17 CB LEU A 2 3.939 1.005 6.971 1.00 0.00 C ATOM 18 CG LEU A 2 5.059 0.023 7.335 1.00 0.00 C ATOM 19 CD1 LEU A 2 4.658 -0.782 8.577 1.00 0.00 C ATOM 20 CD2 LEU A 2 5.297 -0.934 6.163 1.00 0.00 C ATOM 0 H LEU A 2 2.470 0.424 8.886 1.00 0.00 H new ATOM 0 HA LEU A 2 4.650 2.274 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.025 0.459 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.212 1.569 6.079 1.00 0.00 H new ATOM 0 HG LEU A 2 5.973 0.579 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.456 -1.479 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.489 -0.102 9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.744 -1.338 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.093 -1.633 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.382 -1.487 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.586 -0.363 5.280 1.00 0.00 H new ATOM 32 N GLU A 3 3.692 4.258 7.356 1.00 0.00 N ATOM 33 CA GLU A 3 3.090 5.498 6.876 1.00 0.00 C ATOM 34 C GLU A 3 2.602 5.335 5.440 1.00 0.00 C ATOM 35 O GLU A 3 2.014 6.252 4.865 1.00 0.00 O ATOM 36 CB GLU A 3 4.115 6.640 6.948 1.00 0.00 C ATOM 37 CG GLU A 3 4.438 6.961 8.421 1.00 0.00 C ATOM 38 CD GLU A 3 5.473 5.975 8.960 1.00 0.00 C ATOM 39 OE1 GLU A 3 5.821 5.059 8.233 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.903 6.152 10.088 1.00 0.00 O ATOM 0 H GLU A 3 4.708 4.284 7.440 1.00 0.00 H new ATOM 0 HA GLU A 3 2.237 5.737 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.026 6.357 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.721 7.526 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.817 7.980 8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.529 6.909 9.020 1.00 0.00 H new ATOM 47 N ASN A 4 2.850 4.164 4.864 1.00 0.00 N ATOM 48 CA ASN A 4 2.434 3.893 3.492 1.00 0.00 C ATOM 49 C ASN A 4 0.913 3.887 3.380 1.00 0.00 C ATOM 50 O ASN A 4 0.229 4.657 4.054 1.00 0.00 O ATOM 51 CB ASN A 4 2.986 2.540 3.038 1.00 0.00 C ATOM 52 CG ASN A 4 4.491 2.488 3.267 1.00 0.00 C ATOM 53 OD1 ASN A 4 5.206 3.433 2.930 1.00 0.00 O ATOM 54 ND2 ASN A 4 5.021 1.435 3.825 1.00 0.00 N ATOM 0 H ASN A 4 3.334 3.391 5.322 1.00 0.00 H new ATOM 0 HA ASN A 4 2.829 4.682 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.498 1.736 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.765 2.383 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.028 1.394 3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.429 0.653 4.104 1.00 0.00 H new ATOM 61 N LEU A 5 0.388 3.018 2.519 1.00 0.00 N ATOM 62 CA LEU A 5 -1.056 2.925 2.322 1.00 0.00 C ATOM 63 C LEU A 5 -1.682 2.047 3.398 1.00 0.00 C ATOM 64 O LEU A 5 -2.905 1.963 3.508 1.00 0.00 O ATOM 65 CB LEU A 5 -1.360 2.346 0.930 1.00 0.00 C ATOM 66 CG LEU A 5 -1.202 3.445 -0.144 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.329 4.498 0.000 1.00 0.00 C ATOM 68 CD2 LEU A 5 0.164 4.126 0.027 1.00 0.00 C ATOM 0 H LEU A 5 0.936 2.373 1.951 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.484 3.925 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.685 1.517 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.374 1.946 0.907 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.268 2.992 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.207 5.268 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.298 4.014 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.276 4.955 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.281 4.903 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.226 4.573 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.956 3.386 -0.088 1.00 0.00 H new ATOM 80 N VAL A 6 -0.837 1.402 4.189 1.00 0.00 N ATOM 81 CA VAL A 6 -1.324 0.535 5.251 1.00 0.00 C ATOM 82 C VAL A 6 -2.165 1.336 6.236 1.00 0.00 C ATOM 83 O VAL A 6 -3.254 0.912 6.624 1.00 0.00 O ATOM 84 CB VAL A 6 -0.142 -0.107 5.984 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.652 -0.892 7.198 1.00 0.00 C ATOM 86 CG2 VAL A 6 0.588 -1.059 5.033 1.00 0.00 C ATOM 0 H VAL A 6 0.179 1.461 4.117 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.941 -0.248 4.811 1.00 0.00 H new ATOM 0 HB VAL A 6 0.542 0.672 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.191 -1.347 7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.173 -0.216 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.337 -1.672 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.430 -1.517 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.099 -1.836 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.954 -0.502 4.170 1.00 0.00 H new ATOM 96 N VAL A 7 -1.654 2.497 6.632 1.00 0.00 N ATOM 97 CA VAL A 7 -2.370 3.354 7.567 1.00 0.00 C ATOM 98 C VAL A 7 -3.678 3.842 6.944 1.00 0.00 C ATOM 99 O VAL A 7 -4.734 3.780 7.574 1.00 0.00 O ATOM 100 CB VAL A 7 -1.488 4.560 7.961 1.00 0.00 C ATOM 101 CG1 VAL A 7 -0.486 4.140 9.048 1.00 0.00 C ATOM 102 CG2 VAL A 7 -0.720 5.064 6.727 1.00 0.00 C ATOM 0 H VAL A 7 -0.754 2.863 6.322 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.603 2.778 8.462 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.125 5.357 8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.133 4.994 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.028 3.788 9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.148 3.339 8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.099 5.915 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.088 4.265 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.429 5.370 5.958 1.00 0.00 H new ATOM 112 N LEU A 8 -3.598 4.324 5.706 1.00 0.00 N ATOM 113 CA LEU A 8 -4.779 4.821 5.014 1.00 0.00 C ATOM 114 C LEU A 8 -5.800 3.701 4.849 1.00 0.00 C ATOM 115 O LEU A 8 -6.994 3.908 5.068 1.00 0.00 O ATOM 116 CB LEU A 8 -4.395 5.376 3.630 1.00 0.00 C ATOM 117 CG LEU A 8 -5.657 5.849 2.877 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.387 6.928 3.697 1.00 0.00 C ATOM 119 CD2 LEU A 8 -5.257 6.430 1.518 1.00 0.00 C ATOM 0 H LEU A 8 -2.734 4.380 5.167 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.216 5.622 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.698 6.206 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.884 4.607 3.051 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.322 4.998 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.276 7.255 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.680 6.515 4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.723 7.778 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.149 6.763 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.586 7.276 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.750 5.665 0.930 1.00 0.00 H new ATOM 131 N ASN A 9 -5.324 2.520 4.461 1.00 0.00 N ATOM 132 CA ASN A 9 -6.212 1.382 4.269 1.00 0.00 C ATOM 133 C ASN A 9 -6.914 1.035 5.573 1.00 0.00 C ATOM 134 O ASN A 9 -8.125 0.824 5.599 1.00 0.00 O ATOM 135 CB ASN A 9 -5.412 0.171 3.785 1.00 0.00 C ATOM 136 CG ASN A 9 -4.962 0.388 2.345 1.00 0.00 C ATOM 137 OD1 ASN A 9 -3.799 0.149 2.014 1.00 0.00 O ATOM 138 ND2 ASN A 9 -5.817 0.828 1.463 1.00 0.00 N ATOM 0 H ASN A 9 -4.339 2.329 4.276 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.959 1.647 3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.545 0.017 4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.022 -0.730 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.523 0.975 0.497 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.779 1.025 1.739 1.00 0.00 H new ATOM 145 N ALA A 10 -6.147 0.980 6.654 1.00 0.00 N ATOM 146 CA ALA A 10 -6.710 0.670 7.957 1.00 0.00 C ATOM 147 C ALA A 10 -7.555 1.834 8.462 1.00 0.00 C ATOM 148 O ALA A 10 -8.594 1.633 9.090 1.00 0.00 O ATOM 149 CB ALA A 10 -5.589 0.376 8.957 1.00 0.00 C ATOM 0 H ALA A 10 -5.140 1.145 6.653 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.345 -0.211 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.021 0.145 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.004 -0.475 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.942 1.249 9.045 1.00 0.00 H new ATOM 155 N ALA A 11 -7.096 3.051 8.185 1.00 0.00 N ATOM 156 CA ALA A 11 -7.812 4.244 8.620 1.00 0.00 C ATOM 157 C ALA A 11 -9.173 4.346 7.933 1.00 0.00 C ATOM 158 O ALA A 11 -10.149 4.792 8.531 1.00 0.00 O ATOM 159 CB ALA A 11 -6.988 5.494 8.307 1.00 0.00 C ATOM 0 H ALA A 11 -6.238 3.236 7.665 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.969 4.170 9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.531 6.380 8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.033 5.440 8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.812 5.554 7.233 1.00 0.00 H new ATOM 165 N SER A 12 -9.229 3.934 6.671 1.00 0.00 N ATOM 166 CA SER A 12 -10.475 3.993 5.913 1.00 0.00 C ATOM 167 C SER A 12 -11.550 3.128 6.562 1.00 0.00 C ATOM 168 O SER A 12 -12.735 3.462 6.525 1.00 0.00 O ATOM 169 CB SER A 12 -10.236 3.518 4.479 1.00 0.00 C ATOM 170 OG SER A 12 -9.672 2.216 4.505 1.00 0.00 O ATOM 0 H SER A 12 -8.434 3.558 6.154 1.00 0.00 H new ATOM 0 HA SER A 12 -10.818 5.027 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.175 3.509 3.925 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.567 4.206 3.962 1.00 0.00 H new ATOM 0 HG SER A 12 -9.353 2.016 5.410 1.00 0.00 H new ATOM 176 N VAL A 13 -11.134 2.010 7.158 1.00 0.00 N ATOM 177 CA VAL A 13 -12.073 1.098 7.812 1.00 0.00 C ATOM 178 C VAL A 13 -12.071 1.308 9.324 1.00 0.00 C ATOM 179 O VAL A 13 -12.955 0.825 10.030 1.00 0.00 O ATOM 180 CB VAL A 13 -11.698 -0.349 7.497 1.00 0.00 C ATOM 181 CG1 VAL A 13 -11.823 -0.596 5.994 1.00 0.00 C ATOM 182 CG2 VAL A 13 -10.256 -0.604 7.936 1.00 0.00 C ATOM 0 H VAL A 13 -10.158 1.715 7.201 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.073 1.308 7.432 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.369 -1.023 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.555 -1.629 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.850 -0.412 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.153 0.076 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.985 -1.636 7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.588 0.071 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.166 -0.429 9.008 1.00 0.00 H new ATOM 192 N ALA A 14 -11.069 2.031 9.815 1.00 0.00 N ATOM 193 CA ALA A 14 -10.959 2.293 11.247 1.00 0.00 C ATOM 194 C ALA A 14 -12.293 2.775 11.805 1.00 0.00 C ATOM 195 O ALA A 14 -12.847 2.166 12.719 1.00 0.00 O ATOM 196 CB ALA A 14 -9.884 3.350 11.504 1.00 0.00 C ATOM 0 H ALA A 14 -10.327 2.443 9.249 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.682 1.365 11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.809 3.539 12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.925 2.992 11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.151 4.273 10.990 1.00 0.00 H new ATOM 202 N GLY A 15 -12.809 3.870 11.245 1.00 0.00 N ATOM 203 CA GLY A 15 -14.088 4.424 11.695 1.00 0.00 C ATOM 204 C GLY A 15 -13.980 5.923 11.950 1.00 0.00 C ATOM 205 O GLY A 15 -14.523 6.731 11.196 1.00 0.00 O ATOM 0 H GLY A 15 -12.366 4.387 10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.854 4.235 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.405 3.919 12.607 1.00 0.00 H new ATOM 209 N ALA A 16 -13.277 6.286 13.018 1.00 0.00 N ATOM 210 CA ALA A 16 -13.111 7.691 13.368 1.00 0.00 C ATOM 211 C ALA A 16 -12.508 8.466 12.204 1.00 0.00 C ATOM 212 O ALA A 16 -13.027 9.511 11.809 1.00 0.00 O ATOM 213 CB ALA A 16 -12.204 7.822 14.591 1.00 0.00 C ATOM 0 H ALA A 16 -12.817 5.632 13.651 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.093 8.105 13.597 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.086 8.875 14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.650 7.293 15.433 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.228 7.391 14.368 1.00 0.00 H new ATOM 219 N HIS A 17 -11.416 7.946 11.655 1.00 0.00 N ATOM 220 CA HIS A 17 -10.755 8.598 10.537 1.00 0.00 C ATOM 221 C HIS A 17 -11.765 8.959 9.452 1.00 0.00 C ATOM 222 O HIS A 17 -11.498 9.806 8.598 1.00 0.00 O ATOM 223 CB HIS A 17 -9.686 7.677 9.951 1.00 0.00 C ATOM 224 CG HIS A 17 -8.523 7.589 10.898 1.00 0.00 C ATOM 225 ND1 HIS A 17 -8.569 6.839 12.062 1.00 0.00 N ATOM 226 CD2 HIS A 17 -7.273 8.156 10.867 1.00 0.00 C ATOM 227 CE1 HIS A 17 -7.382 6.973 12.679 1.00 0.00 C ATOM 228 NE2 HIS A 17 -6.555 7.766 11.994 1.00 0.00 N ATOM 0 H HIS A 17 -10.974 7.081 11.965 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.287 9.512 10.902 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.102 6.685 9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.354 8.057 8.985 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -9.360 6.286 12.391 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.903 8.805 10.087 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.128 6.497 13.615 1.00 0.00 H new ATOM 236 N GLY A 18 -12.924 8.311 9.491 1.00 0.00 N ATOM 237 CA GLY A 18 -13.967 8.574 8.506 1.00 0.00 C ATOM 238 C GLY A 18 -14.455 10.014 8.599 1.00 0.00 C ATOM 239 O GLY A 18 -14.301 10.792 7.659 1.00 0.00 O ATOM 0 H GLY A 18 -13.164 7.606 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.583 8.380 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.802 7.892 8.665 1.00 0.00 H new ATOM 243 N ILE A 19 -15.040 10.363 9.740 1.00 0.00 N ATOM 244 CA ILE A 19 -15.551 11.712 9.945 1.00 0.00 C ATOM 245 C ILE A 19 -14.460 12.739 9.679 1.00 0.00 C ATOM 246 O ILE A 19 -14.745 13.895 9.369 1.00 0.00 O ATOM 247 CB ILE A 19 -16.060 11.865 11.380 1.00 0.00 C ATOM 248 CG1 ILE A 19 -16.967 10.673 11.733 1.00 0.00 C ATOM 249 CG2 ILE A 19 -16.859 13.166 11.502 1.00 0.00 C ATOM 250 CD1 ILE A 19 -18.056 10.505 10.662 1.00 0.00 C ATOM 0 H ILE A 19 -15.171 9.734 10.532 1.00 0.00 H new ATOM 0 HA ILE A 19 -16.373 11.881 9.249 1.00 0.00 H new ATOM 0 HB ILE A 19 -15.212 11.892 12.065 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.373 9.762 11.805 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -17.426 10.832 12.709 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -17.222 13.276 12.524 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.218 14.011 11.252 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -17.706 13.138 10.817 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -18.693 9.659 10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -18.659 11.411 10.611 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -17.589 10.325 9.694 1.00 0.00 H new ATOM 262 N LEU A 20 -13.212 12.307 9.806 1.00 0.00 N ATOM 263 CA LEU A 20 -12.084 13.194 9.571 1.00 0.00 C ATOM 264 C LEU A 20 -11.836 13.345 8.076 1.00 0.00 C ATOM 265 O LEU A 20 -11.381 14.389 7.617 1.00 0.00 O ATOM 266 CB LEU A 20 -10.830 12.646 10.262 1.00 0.00 C ATOM 267 CG LEU A 20 -10.870 12.982 11.774 1.00 0.00 C ATOM 268 CD1 LEU A 20 -10.089 11.924 12.563 1.00 0.00 C ATOM 269 CD2 LEU A 20 -10.236 14.361 12.013 1.00 0.00 C ATOM 0 H LEU A 20 -12.958 11.355 10.069 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.315 14.174 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.770 11.567 10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.937 13.077 9.809 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.907 12.992 12.109 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.121 12.166 13.625 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.538 10.944 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.053 11.909 12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.265 14.595 13.077 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.201 14.349 11.672 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.792 15.118 11.459 1.00 0.00 H new ATOM 281 N SER A 21 -12.127 12.287 7.327 1.00 0.00 N ATOM 282 CA SER A 21 -11.932 12.317 5.887 1.00 0.00 C ATOM 283 C SER A 21 -12.972 13.218 5.235 1.00 0.00 C ATOM 284 O SER A 21 -12.648 14.026 4.369 1.00 0.00 O ATOM 285 CB SER A 21 -12.042 10.901 5.312 1.00 0.00 C ATOM 286 OG SER A 21 -11.424 9.983 6.203 1.00 0.00 O ATOM 0 H SER A 21 -12.495 11.408 7.691 1.00 0.00 H new ATOM 0 HA SER A 21 -10.938 12.712 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.089 10.635 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.563 10.855 4.334 1.00 0.00 H new ATOM 0 HG SER A 21 -12.041 9.772 6.935 1.00 0.00 H new ATOM 292 N PHE A 22 -14.224 13.073 5.661 1.00 0.00 N ATOM 293 CA PHE A 22 -15.311 13.876 5.116 1.00 0.00 C ATOM 294 C PHE A 22 -15.218 15.313 5.617 1.00 0.00 C ATOM 295 O PHE A 22 -15.874 16.205 5.094 1.00 0.00 O ATOM 296 CB PHE A 22 -16.662 13.280 5.512 1.00 0.00 C ATOM 297 CG PHE A 22 -16.844 11.944 4.832 1.00 0.00 C ATOM 298 CD1 PHE A 22 -17.201 11.889 3.479 1.00 0.00 C ATOM 299 CD2 PHE A 22 -16.654 10.760 5.553 1.00 0.00 C ATOM 300 CE1 PHE A 22 -17.369 10.650 2.849 1.00 0.00 C ATOM 301 CE2 PHE A 22 -16.823 9.521 4.924 1.00 0.00 C ATOM 302 CZ PHE A 22 -17.179 9.466 3.571 1.00 0.00 C ATOM 0 H PHE A 22 -14.509 12.408 6.380 1.00 0.00 H new ATOM 0 HA PHE A 22 -15.224 13.874 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -16.715 13.159 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -17.467 13.957 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.347 12.802 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.377 10.802 6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -17.645 10.608 1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -16.679 8.608 5.482 1.00 0.00 H new ATOM 0 HZ PHE A 22 -17.307 8.510 3.085 1.00 0.00 H new ATOM 312 N LEU A 23 -14.410 15.526 6.644 1.00 0.00 N ATOM 313 CA LEU A 23 -14.243 16.861 7.210 1.00 0.00 C ATOM 314 C LEU A 23 -13.531 17.796 6.222 1.00 0.00 C ATOM 315 O LEU A 23 -13.763 19.005 6.215 1.00 0.00 O ATOM 316 CB LEU A 23 -13.438 16.784 8.519 1.00 0.00 C ATOM 317 CG LEU A 23 -13.047 18.215 8.992 1.00 0.00 C ATOM 318 CD1 LEU A 23 -13.097 18.287 10.527 1.00 0.00 C ATOM 319 CD2 LEU A 23 -11.614 18.564 8.505 1.00 0.00 C ATOM 0 H LEU A 23 -13.861 14.798 7.102 1.00 0.00 H new ATOM 0 HA LEU A 23 -15.234 17.265 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.028 16.287 9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.540 16.184 8.368 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.753 18.931 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.823 19.290 10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.106 18.057 10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.398 17.565 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.350 19.567 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.905 17.845 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.580 18.525 7.416 1.00 0.00 H new ATOM 331 N VAL A 24 -12.652 17.230 5.404 1.00 0.00 N ATOM 332 CA VAL A 24 -11.890 18.020 4.433 1.00 0.00 C ATOM 333 C VAL A 24 -12.811 18.653 3.383 1.00 0.00 C ATOM 334 O VAL A 24 -12.447 19.629 2.729 1.00 0.00 O ATOM 335 CB VAL A 24 -10.845 17.129 3.736 1.00 0.00 C ATOM 336 CG1 VAL A 24 -11.528 16.261 2.668 1.00 0.00 C ATOM 337 CG2 VAL A 24 -9.784 18.012 3.070 1.00 0.00 C ATOM 0 H VAL A 24 -12.447 16.231 5.390 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.387 18.822 4.973 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.373 16.484 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.783 15.633 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.282 15.630 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.004 16.903 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.044 17.382 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.260 18.659 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.293 18.624 3.827 1.00 0.00 H new ATOM 347 N PHE A 25 -13.998 18.078 3.220 1.00 0.00 N ATOM 348 CA PHE A 25 -14.958 18.584 2.239 1.00 0.00 C ATOM 349 C PHE A 25 -15.394 20.007 2.588 1.00 0.00 C ATOM 350 O PHE A 25 -15.566 20.843 1.702 1.00 0.00 O ATOM 351 CB PHE A 25 -16.195 17.662 2.176 1.00 0.00 C ATOM 352 CG PHE A 25 -15.977 16.569 1.150 1.00 0.00 C ATOM 353 CD1 PHE A 25 -15.143 15.485 1.447 1.00 0.00 C ATOM 354 CD2 PHE A 25 -16.608 16.646 -0.099 1.00 0.00 C ATOM 355 CE1 PHE A 25 -14.936 14.479 0.496 1.00 0.00 C ATOM 356 CE2 PHE A 25 -16.401 15.639 -1.049 1.00 0.00 C ATOM 357 CZ PHE A 25 -15.566 14.557 -0.752 1.00 0.00 C ATOM 0 H PHE A 25 -14.319 17.267 3.749 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.470 18.598 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -16.380 17.221 3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -17.079 18.244 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.659 15.425 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -17.253 17.481 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.291 13.643 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -16.886 15.698 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.407 13.781 -1.486 1.00 0.00 H new ATOM 367 N PHE A 26 -15.573 20.274 3.884 1.00 0.00 N ATOM 368 CA PHE A 26 -16.000 21.596 4.333 1.00 0.00 C ATOM 369 C PHE A 26 -14.982 22.652 3.929 1.00 0.00 C ATOM 370 O PHE A 26 -15.348 23.727 3.454 1.00 0.00 O ATOM 371 CB PHE A 26 -16.175 21.611 5.857 1.00 0.00 C ATOM 372 CG PHE A 26 -17.329 20.709 6.250 1.00 0.00 C ATOM 373 CD1 PHE A 26 -18.619 20.971 5.779 1.00 0.00 C ATOM 374 CD2 PHE A 26 -17.098 19.606 7.081 1.00 0.00 C ATOM 375 CE1 PHE A 26 -19.680 20.132 6.139 1.00 0.00 C ATOM 376 CE2 PHE A 26 -18.160 18.766 7.441 1.00 0.00 C ATOM 377 CZ PHE A 26 -19.451 19.029 6.969 1.00 0.00 C ATOM 0 H PHE A 26 -15.430 19.597 4.633 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.955 21.823 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -15.258 21.275 6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.363 22.628 6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.797 21.821 5.137 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.101 19.403 7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.676 20.336 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.982 17.916 8.083 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.270 18.381 7.245 1.00 0.00 H new ATOM 387 N SER A 27 -13.704 22.338 4.118 1.00 0.00 N ATOM 388 CA SER A 27 -12.642 23.273 3.769 1.00 0.00 C ATOM 389 C SER A 27 -12.906 23.877 2.399 1.00 0.00 C ATOM 390 O SER A 27 -12.802 25.090 2.218 1.00 0.00 O ATOM 391 CB SER A 27 -11.295 22.549 3.762 1.00 0.00 C ATOM 392 OG SER A 27 -10.249 23.507 3.852 1.00 0.00 O ATOM 0 H SER A 27 -13.381 21.452 4.507 1.00 0.00 H new ATOM 0 HA SER A 27 -12.618 24.072 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.239 21.852 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.189 21.962 2.850 1.00 0.00 H new ATOM 0 HG SER A 27 -9.383 23.047 3.850 1.00 0.00 H new ATOM 398 N ALA A 28 -13.249 23.028 1.438 1.00 0.00 N ATOM 399 CA ALA A 28 -13.533 23.493 0.087 1.00 0.00 C ATOM 400 C ALA A 28 -14.962 24.026 -0.008 1.00 0.00 C ATOM 401 O ALA A 28 -15.217 25.030 -0.673 1.00 0.00 O ATOM 402 CB ALA A 28 -13.339 22.350 -0.909 1.00 0.00 C ATOM 0 H ALA A 28 -13.337 22.020 1.568 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.843 24.302 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.553 22.705 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.309 21.996 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.016 21.532 -0.661 1.00 0.00 H new ATOM 408 N ALA A 29 -15.891 23.342 0.657 1.00 0.00 N ATOM 409 CA ALA A 29 -17.295 23.751 0.632 1.00 0.00 C ATOM 410 C ALA A 29 -17.445 25.207 1.087 1.00 0.00 C ATOM 411 O ALA A 29 -18.376 25.901 0.688 1.00 0.00 O ATOM 412 CB ALA A 29 -18.127 22.837 1.548 1.00 0.00 C ATOM 0 H ALA A 29 -15.700 22.510 1.215 1.00 0.00 H new ATOM 0 HA ALA A 29 -17.657 23.665 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -19.171 23.150 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.048 21.806 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -17.752 22.907 2.569 1.00 0.00 H new ATOM 418 N TRP A 30 -16.525 25.657 1.928 1.00 0.00 N ATOM 419 CA TRP A 30 -16.568 27.027 2.430 1.00 0.00 C ATOM 420 C TRP A 30 -16.362 28.030 1.291 1.00 0.00 C ATOM 421 O TRP A 30 -16.845 29.161 1.354 1.00 0.00 O ATOM 422 CB TRP A 30 -15.479 27.224 3.500 1.00 0.00 C ATOM 423 CG TRP A 30 -15.968 26.714 4.822 1.00 0.00 C ATOM 424 CD1 TRP A 30 -15.417 25.690 5.514 1.00 0.00 C ATOM 425 CD2 TRP A 30 -17.095 27.185 5.614 1.00 0.00 C ATOM 426 NE1 TRP A 30 -16.136 25.504 6.682 1.00 0.00 N ATOM 427 CE2 TRP A 30 -17.180 26.400 6.788 1.00 0.00 C ATOM 428 CE3 TRP A 30 -18.044 28.209 5.430 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -18.170 26.623 7.747 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -19.041 28.434 6.393 1.00 0.00 C ATOM 431 CH2 TRP A 30 -19.104 27.643 7.548 1.00 0.00 C ATOM 0 H TRP A 30 -15.745 25.100 2.276 1.00 0.00 H new ATOM 0 HA TRP A 30 -17.549 27.202 2.872 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -14.571 26.696 3.209 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.222 28.280 3.580 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.558 25.113 5.206 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -15.920 24.792 7.379 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -18.005 28.825 4.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -18.214 26.012 8.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -19.764 29.222 6.242 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -19.874 27.822 8.284 1.00 0.00 H new ATOM 442 N TYR A 31 -15.638 27.612 0.259 1.00 0.00 N ATOM 443 CA TYR A 31 -15.369 28.488 -0.880 1.00 0.00 C ATOM 444 C TYR A 31 -16.584 28.587 -1.806 1.00 0.00 C ATOM 445 O TYR A 31 -17.036 29.682 -2.138 1.00 0.00 O ATOM 446 CB TYR A 31 -14.170 27.953 -1.670 1.00 0.00 C ATOM 447 CG TYR A 31 -12.897 28.235 -0.909 1.00 0.00 C ATOM 448 CD1 TYR A 31 -12.506 27.396 0.141 1.00 0.00 C ATOM 449 CD2 TYR A 31 -12.105 29.338 -1.255 1.00 0.00 C ATOM 450 CE1 TYR A 31 -11.324 27.658 0.845 1.00 0.00 C ATOM 451 CE2 TYR A 31 -10.924 29.600 -0.551 1.00 0.00 C ATOM 452 CZ TYR A 31 -10.533 28.761 0.500 1.00 0.00 C ATOM 453 OH TYR A 31 -9.370 29.019 1.193 1.00 0.00 O ATOM 0 H TYR A 31 -15.229 26.681 0.185 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.149 29.484 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.278 26.881 -1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.130 28.423 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.116 26.546 0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -12.406 29.986 -2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.022 27.009 1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.314 30.450 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.941 29.820 0.826 1.00 0.00 H new ATOM 463 N ILE A 32 -17.108 27.435 -2.217 1.00 0.00 N ATOM 464 CA ILE A 32 -18.266 27.402 -3.111 1.00 0.00 C ATOM 465 C ILE A 32 -19.499 27.978 -2.413 1.00 0.00 C ATOM 466 O ILE A 32 -20.301 28.683 -3.025 1.00 0.00 O ATOM 467 CB ILE A 32 -18.540 25.952 -3.566 1.00 0.00 C ATOM 468 CG1 ILE A 32 -19.274 25.178 -2.452 1.00 0.00 C ATOM 469 CG2 ILE A 32 -17.209 25.259 -3.877 1.00 0.00 C ATOM 470 CD1 ILE A 32 -19.306 23.680 -2.777 1.00 0.00 C ATOM 0 H ILE A 32 -16.753 26.517 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.048 28.014 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.165 25.969 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.773 25.339 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.291 25.556 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -17.398 24.235 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.694 25.799 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -16.586 25.249 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -19.827 23.146 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.827 23.524 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.286 23.304 -2.859 1.00 0.00 H new ATOM 482 N LYS A 33 -19.644 27.659 -1.131 1.00 0.00 N ATOM 483 CA LYS A 33 -20.784 28.136 -0.360 1.00 0.00 C ATOM 484 C LYS A 33 -20.818 29.660 -0.346 1.00 0.00 C ATOM 485 O LYS A 33 -21.889 30.266 -0.345 1.00 0.00 O ATOM 486 CB LYS A 33 -20.700 27.603 1.076 1.00 0.00 C ATOM 487 CG LYS A 33 -21.010 26.088 1.091 1.00 0.00 C ATOM 488 CD LYS A 33 -22.529 25.861 1.256 1.00 0.00 C ATOM 489 CE LYS A 33 -22.892 25.851 2.748 1.00 0.00 C ATOM 490 NZ LYS A 33 -24.350 25.585 2.906 1.00 0.00 N ATOM 0 H LYS A 33 -18.991 27.076 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 33 -21.699 27.771 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -19.705 27.784 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -21.407 28.135 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -20.664 25.628 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -20.471 25.606 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -23.082 26.648 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -22.817 24.916 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -22.314 25.087 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -22.635 26.808 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -24.594 25.579 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -24.893 26.329 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -24.582 24.661 2.488 1.00 0.00 H new ATOM 504 N GLY A 34 -19.640 30.275 -0.335 1.00 0.00 N ATOM 505 CA GLY A 34 -19.546 31.731 -0.325 1.00 0.00 C ATOM 506 C GLY A 34 -19.715 32.279 1.085 1.00 0.00 C ATOM 507 O GLY A 34 -19.571 33.479 1.317 1.00 0.00 O ATOM 0 H GLY A 34 -18.742 29.792 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.580 32.039 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.311 32.153 -0.977 1.00 0.00 H new ATOM 511 N ARG A 35 -20.023 31.393 2.028 1.00 0.00 N ATOM 512 CA ARG A 35 -20.210 31.801 3.416 1.00 0.00 C ATOM 513 C ARG A 35 -18.880 31.795 4.156 1.00 0.00 C ATOM 514 O ARG A 35 -18.692 31.035 5.106 1.00 0.00 O ATOM 515 CB ARG A 35 -21.187 30.852 4.112 1.00 0.00 C ATOM 516 CG ARG A 35 -22.581 31.024 3.508 1.00 0.00 C ATOM 517 CD ARG A 35 -23.525 29.982 4.106 1.00 0.00 C ATOM 518 NE ARG A 35 -23.680 30.205 5.539 1.00 0.00 N ATOM 519 CZ ARG A 35 -24.318 29.326 6.304 1.00 0.00 C ATOM 520 NH1 ARG A 35 -24.817 28.241 5.778 1.00 0.00 N ATOM 521 NH2 ARG A 35 -24.445 29.547 7.585 1.00 0.00 N ATOM 0 H ARG A 35 -20.148 30.395 1.858 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.616 32.812 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -20.854 29.821 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -21.214 31.061 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.955 32.028 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -22.537 30.911 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -24.497 30.037 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.133 28.981 3.927 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.292 31.049 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -24.717 28.067 4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -25.307 27.567 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.054 30.394 7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.935 28.872 8.173 1.00 0.00 H new ATOM 535 N LEU A 36 -17.954 32.648 3.715 1.00 0.00 N ATOM 536 CA LEU A 36 -16.641 32.730 4.353 1.00 0.00 C ATOM 537 C LEU A 36 -16.245 34.191 4.549 1.00 0.00 C ATOM 538 O LEU A 36 -16.003 34.916 3.583 1.00 0.00 O ATOM 539 CB LEU A 36 -15.583 32.008 3.485 1.00 0.00 C ATOM 540 CG LEU A 36 -14.432 31.474 4.377 1.00 0.00 C ATOM 541 CD1 LEU A 36 -13.848 32.630 5.202 1.00 0.00 C ATOM 542 CD2 LEU A 36 -14.974 30.373 5.332 1.00 0.00 C ATOM 0 H LEU A 36 -18.087 33.284 2.929 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.692 32.243 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.047 31.183 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -15.185 32.695 2.738 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.653 31.047 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.039 32.257 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.462 33.397 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.628 33.058 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.162 30.001 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.755 30.793 5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.385 29.552 4.745 1.00 0.00 H new ATOM 554 N ALA A 37 -16.174 34.615 5.801 1.00 0.00 N ATOM 555 CA ALA A 37 -15.803 35.990 6.105 1.00 0.00 C ATOM 556 C ALA A 37 -15.366 36.118 7.570 1.00 0.00 C ATOM 557 O ALA A 37 -15.468 35.162 8.341 1.00 0.00 O ATOM 558 CB ALA A 37 -16.998 36.928 5.823 1.00 0.00 C ATOM 0 H ALA A 37 -16.366 34.034 6.617 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.965 36.276 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.716 37.956 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.278 36.854 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.844 36.637 6.446 1.00 0.00 H new ATOM 564 N PRO A 38 -14.892 37.282 7.963 1.00 0.00 N ATOM 565 CA PRO A 38 -14.441 37.538 9.360 1.00 0.00 C ATOM 566 C PRO A 38 -15.514 37.171 10.381 1.00 0.00 C ATOM 567 O PRO A 38 -16.687 37.504 10.214 1.00 0.00 O ATOM 568 CB PRO A 38 -14.154 39.049 9.381 1.00 0.00 C ATOM 569 CG PRO A 38 -13.884 39.420 7.958 1.00 0.00 C ATOM 570 CD PRO A 38 -14.736 38.478 7.111 1.00 0.00 C ATOM 0 HA PRO A 38 -13.574 36.935 9.630 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.003 39.605 9.778 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.298 39.278 10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.147 40.461 7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.826 39.310 7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.700 38.923 6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.247 38.236 6.167 1.00 0.00 H new ATOM 578 N GLY A 39 -15.103 36.484 11.436 1.00 0.00 N ATOM 579 CA GLY A 39 -16.036 36.076 12.476 1.00 0.00 C ATOM 580 C GLY A 39 -15.377 35.097 13.434 1.00 0.00 C ATOM 581 O GLY A 39 -14.332 35.389 14.008 1.00 0.00 O ATOM 0 H GLY A 39 -14.137 36.199 11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.383 36.952 13.024 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.914 35.615 12.024 1.00 0.00 H new ATOM 585 N ALA A 40 -15.995 33.933 13.609 1.00 0.00 N ATOM 586 CA ALA A 40 -15.452 32.910 14.503 1.00 0.00 C ATOM 587 C ALA A 40 -14.657 31.872 13.714 1.00 0.00 C ATOM 588 O ALA A 40 -14.040 30.978 14.293 1.00 0.00 O ATOM 589 CB ALA A 40 -16.590 32.222 15.258 1.00 0.00 C ATOM 0 H ALA A 40 -16.867 33.673 13.148 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.784 33.394 15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.179 31.462 15.922 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.135 32.960 15.846 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.268 31.753 14.545 1.00 0.00 H new ATOM 595 N ALA A 41 -14.675 31.995 12.386 1.00 0.00 N ATOM 596 CA ALA A 41 -13.957 31.055 11.527 1.00 0.00 C ATOM 597 C ALA A 41 -12.475 30.990 11.905 1.00 0.00 C ATOM 598 O ALA A 41 -11.712 30.210 11.335 1.00 0.00 O ATOM 599 CB ALA A 41 -14.086 31.480 10.063 1.00 0.00 C ATOM 0 H ALA A 41 -15.175 32.730 11.886 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.398 30.068 11.665 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.548 30.774 9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.138 31.493 9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.664 32.477 9.935 1.00 0.00 H new ATOM 605 N TYR A 42 -12.075 31.815 12.868 1.00 0.00 N ATOM 606 CA TYR A 42 -10.688 31.837 13.318 1.00 0.00 C ATOM 607 C TYR A 42 -10.323 30.519 13.992 1.00 0.00 C ATOM 608 O TYR A 42 -9.232 29.986 13.790 1.00 0.00 O ATOM 609 CB TYR A 42 -10.466 33.002 14.298 1.00 0.00 C ATOM 610 CG TYR A 42 -10.257 34.293 13.528 1.00 0.00 C ATOM 611 CD1 TYR A 42 -9.142 34.437 12.695 1.00 0.00 C ATOM 612 CD2 TYR A 42 -11.182 35.337 13.646 1.00 0.00 C ATOM 613 CE1 TYR A 42 -8.951 35.625 11.979 1.00 0.00 C ATOM 614 CE2 TYR A 42 -10.992 36.526 12.930 1.00 0.00 C ATOM 615 CZ TYR A 42 -9.877 36.669 12.096 1.00 0.00 C ATOM 616 OH TYR A 42 -9.688 37.841 11.390 1.00 0.00 O ATOM 0 H TYR A 42 -12.688 32.473 13.349 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.047 31.975 12.447 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.325 33.099 14.961 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.599 32.799 14.927 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.428 33.631 12.604 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.042 35.226 14.289 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.090 35.736 11.337 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.705 37.332 13.021 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.422 38.461 11.583 1.00 0.00 H new ATOM 626 N ALA A 43 -11.244 30.002 14.798 1.00 0.00 N ATOM 627 CA ALA A 43 -11.005 28.751 15.500 1.00 0.00 C ATOM 628 C ALA A 43 -10.746 27.621 14.510 1.00 0.00 C ATOM 629 O ALA A 43 -9.739 26.922 14.602 1.00 0.00 O ATOM 630 CB ALA A 43 -12.214 28.402 16.370 1.00 0.00 C ATOM 0 H ALA A 43 -12.154 30.426 14.979 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.125 28.873 16.132 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.028 27.464 16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.380 29.196 17.098 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.097 28.297 15.740 1.00 0.00 H new ATOM 636 N PHE A 44 -11.661 27.454 13.559 1.00 0.00 N ATOM 637 CA PHE A 44 -11.520 26.408 12.555 1.00 0.00 C ATOM 638 C PHE A 44 -10.256 26.631 11.726 1.00 0.00 C ATOM 639 O PHE A 44 -9.291 25.873 11.831 1.00 0.00 O ATOM 640 CB PHE A 44 -12.759 26.394 11.631 1.00 0.00 C ATOM 641 CG PHE A 44 -13.774 25.390 12.140 1.00 0.00 C ATOM 642 CD1 PHE A 44 -13.549 24.020 11.956 1.00 0.00 C ATOM 643 CD2 PHE A 44 -14.929 25.828 12.798 1.00 0.00 C ATOM 644 CE1 PHE A 44 -14.480 23.089 12.430 1.00 0.00 C ATOM 645 CE2 PHE A 44 -15.860 24.896 13.273 1.00 0.00 C ATOM 646 CZ PHE A 44 -15.635 23.527 13.088 1.00 0.00 C ATOM 0 H PHE A 44 -12.501 28.025 13.464 1.00 0.00 H new ATOM 0 HA PHE A 44 -11.440 25.447 13.062 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -13.206 27.388 11.593 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -12.461 26.139 10.614 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.657 23.682 11.449 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.102 26.885 12.939 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.307 22.032 12.288 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.751 25.233 13.782 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.353 22.808 13.453 1.00 0.00 H new ATOM 656 N TYR A 45 -10.272 27.676 10.903 1.00 0.00 N ATOM 657 CA TYR A 45 -9.127 27.988 10.057 1.00 0.00 C ATOM 658 C TYR A 45 -7.886 28.233 10.907 1.00 0.00 C ATOM 659 O TYR A 45 -6.766 28.249 10.398 1.00 0.00 O ATOM 660 CB TYR A 45 -9.420 29.232 9.216 1.00 0.00 C ATOM 661 CG TYR A 45 -8.237 29.527 8.329 1.00 0.00 C ATOM 662 CD1 TYR A 45 -8.091 28.857 7.108 1.00 0.00 C ATOM 663 CD2 TYR A 45 -7.283 30.472 8.725 1.00 0.00 C ATOM 664 CE1 TYR A 45 -6.993 29.131 6.284 1.00 0.00 C ATOM 665 CE2 TYR A 45 -6.185 30.747 7.901 1.00 0.00 C ATOM 666 CZ TYR A 45 -6.040 30.077 6.682 1.00 0.00 C ATOM 667 OH TYR A 45 -4.957 30.347 5.870 1.00 0.00 O ATOM 0 H TYR A 45 -11.060 28.316 10.805 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.945 27.138 9.399 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.312 29.073 8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.623 30.084 9.865 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.827 28.128 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.394 30.989 9.667 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.881 28.614 5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.450 31.477 8.207 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.393 31.028 6.293 1.00 0.00 H new ATOM 677 N GLY A 46 -8.094 28.424 12.205 1.00 0.00 N ATOM 678 CA GLY A 46 -6.985 28.668 13.118 1.00 0.00 C ATOM 679 C GLY A 46 -5.834 27.708 12.845 1.00 0.00 C ATOM 680 O GLY A 46 -4.855 28.068 12.192 1.00 0.00 O ATOM 0 H GLY A 46 -9.014 28.415 12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.640 29.696 13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.324 28.552 14.147 1.00 0.00 H new ATOM 684 N VAL A 47 -5.958 26.480 13.347 1.00 0.00 N ATOM 685 CA VAL A 47 -4.917 25.466 13.152 1.00 0.00 C ATOM 686 C VAL A 47 -5.494 24.225 12.484 1.00 0.00 C ATOM 687 O VAL A 47 -5.259 23.103 12.932 1.00 0.00 O ATOM 688 CB VAL A 47 -4.302 25.086 14.501 1.00 0.00 C ATOM 689 CG1 VAL A 47 -3.535 26.282 15.065 1.00 0.00 C ATOM 690 CG2 VAL A 47 -5.415 24.689 15.475 1.00 0.00 C ATOM 0 H VAL A 47 -6.762 26.163 13.888 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.145 25.883 12.505 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.620 24.247 14.367 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.096 26.013 16.026 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.743 26.566 14.372 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.218 27.121 15.200 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.978 24.418 16.436 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.097 25.529 15.610 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.964 23.837 15.073 1.00 0.00 H new ATOM 700 N TRP A 48 -6.250 24.436 11.410 1.00 0.00 N ATOM 701 CA TRP A 48 -6.852 23.325 10.686 1.00 0.00 C ATOM 702 C TRP A 48 -5.765 22.486 10.000 1.00 0.00 C ATOM 703 O TRP A 48 -5.828 21.256 10.001 1.00 0.00 O ATOM 704 CB TRP A 48 -7.862 23.850 9.624 1.00 0.00 C ATOM 705 CG TRP A 48 -9.064 22.947 9.549 1.00 0.00 C ATOM 706 CD1 TRP A 48 -9.045 21.616 9.790 1.00 0.00 C ATOM 707 CD2 TRP A 48 -10.444 23.286 9.227 1.00 0.00 C ATOM 708 NE1 TRP A 48 -10.326 21.115 9.638 1.00 0.00 N ATOM 709 CE2 TRP A 48 -11.224 22.107 9.290 1.00 0.00 C ATOM 710 CE3 TRP A 48 -11.089 24.490 8.890 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -12.595 22.121 9.029 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -12.468 24.507 8.626 1.00 0.00 C ATOM 713 CH2 TRP A 48 -13.219 23.325 8.695 1.00 0.00 C ATOM 0 H TRP A 48 -6.458 25.358 11.026 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.387 22.699 11.401 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.175 24.862 9.880 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.378 23.904 8.649 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.172 21.039 10.057 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.577 20.135 9.767 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -10.520 25.406 8.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.169 21.208 9.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -12.953 25.437 8.368 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -14.279 23.346 8.490 1.00 0.00 H new ATOM 724 N PRO A 49 -4.781 23.131 9.407 1.00 0.00 N ATOM 725 CA PRO A 49 -3.668 22.434 8.690 1.00 0.00 C ATOM 726 C PRO A 49 -2.858 21.535 9.621 1.00 0.00 C ATOM 727 O PRO A 49 -2.265 20.547 9.187 1.00 0.00 O ATOM 728 CB PRO A 49 -2.802 23.586 8.145 1.00 0.00 C ATOM 729 CG PRO A 49 -3.685 24.791 8.170 1.00 0.00 C ATOM 730 CD PRO A 49 -4.619 24.593 9.357 1.00 0.00 C ATOM 0 HA PRO A 49 -4.038 21.770 7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.915 23.736 8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.456 23.373 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.099 25.703 8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.247 24.884 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.189 24.984 10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.572 25.100 9.210 1.00 0.00 H new ATOM 738 N LEU A 50 -2.830 21.892 10.899 1.00 0.00 N ATOM 739 CA LEU A 50 -2.084 21.119 11.882 1.00 0.00 C ATOM 740 C LEU A 50 -2.811 19.823 12.215 1.00 0.00 C ATOM 741 O LEU A 50 -2.189 18.845 12.608 1.00 0.00 O ATOM 742 CB LEU A 50 -1.880 21.940 13.163 1.00 0.00 C ATOM 743 CG LEU A 50 -1.052 21.122 14.197 1.00 0.00 C ATOM 744 CD1 LEU A 50 0.001 22.022 14.855 1.00 0.00 C ATOM 745 CD2 LEU A 50 -1.983 20.564 15.285 1.00 0.00 C ATOM 0 H LEU A 50 -3.313 22.707 11.277 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.112 20.876 11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.365 22.872 12.929 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.846 22.208 13.590 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.558 20.301 13.679 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.576 21.442 15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.671 22.417 14.091 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.494 22.848 15.365 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.399 19.992 16.006 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.482 21.388 15.795 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.730 19.915 14.827 1.00 0.00 H new ATOM 757 N LEU A 51 -4.136 19.826 12.073 1.00 0.00 N ATOM 758 CA LEU A 51 -4.948 18.634 12.356 1.00 0.00 C ATOM 759 C LEU A 51 -5.230 17.839 11.070 1.00 0.00 C ATOM 760 O LEU A 51 -6.053 16.926 11.062 1.00 0.00 O ATOM 761 CB LEU A 51 -6.279 19.046 13.015 1.00 0.00 C ATOM 762 CG LEU A 51 -6.856 17.864 13.832 1.00 0.00 C ATOM 763 CD1 LEU A 51 -6.283 17.888 15.256 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.384 17.975 13.900 1.00 0.00 C ATOM 0 H LEU A 51 -4.673 20.637 11.765 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.386 17.996 13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.121 19.906 13.666 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.993 19.353 12.250 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.581 16.929 13.344 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.692 17.054 15.827 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.197 17.800 15.213 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.552 18.826 15.741 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.784 17.141 14.476 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.660 18.913 14.381 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.796 17.950 12.891 1.00 0.00 H new ATOM 776 N LEU A 52 -4.555 18.206 9.984 1.00 0.00 N ATOM 777 CA LEU A 52 -4.756 17.530 8.697 1.00 0.00 C ATOM 778 C LEU A 52 -4.014 16.190 8.633 1.00 0.00 C ATOM 779 O LEU A 52 -4.545 15.192 8.144 1.00 0.00 O ATOM 780 CB LEU A 52 -4.276 18.436 7.549 1.00 0.00 C ATOM 781 CG LEU A 52 -4.575 17.767 6.174 1.00 0.00 C ATOM 782 CD1 LEU A 52 -5.089 18.819 5.182 1.00 0.00 C ATOM 783 CD2 LEU A 52 -3.295 17.129 5.609 1.00 0.00 C ATOM 0 H LEU A 52 -3.869 18.961 9.964 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.823 17.330 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.775 19.404 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.206 18.622 7.646 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.333 16.997 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.296 18.344 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.003 19.268 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.333 19.593 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.514 16.664 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.534 17.898 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.929 16.373 6.303 1.00 0.00 H new ATOM 795 N LEU A 53 -2.783 16.175 9.132 1.00 0.00 N ATOM 796 CA LEU A 53 -1.955 14.960 9.143 1.00 0.00 C ATOM 797 C LEU A 53 -2.736 13.764 9.702 1.00 0.00 C ATOM 798 O LEU A 53 -2.266 12.627 9.660 1.00 0.00 O ATOM 799 CB LEU A 53 -0.651 15.193 9.986 1.00 0.00 C ATOM 800 CG LEU A 53 -0.962 15.332 11.531 1.00 0.00 C ATOM 801 CD1 LEU A 53 -2.161 16.266 11.738 1.00 0.00 C ATOM 802 CD2 LEU A 53 -1.275 13.940 12.152 1.00 0.00 C ATOM 0 H LEU A 53 -2.328 16.993 9.538 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.676 14.735 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.036 14.362 9.828 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.148 16.094 9.635 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.084 15.749 12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.371 16.358 12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.932 17.249 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.034 15.855 11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.486 14.055 13.215 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.142 13.506 11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.416 13.282 12.022 1.00 0.00 H new ATOM 814 N LEU A 54 -3.917 14.029 10.250 1.00 0.00 N ATOM 815 CA LEU A 54 -4.724 12.973 10.849 1.00 0.00 C ATOM 816 C LEU A 54 -5.052 11.895 9.819 1.00 0.00 C ATOM 817 O LEU A 54 -4.787 10.714 10.038 1.00 0.00 O ATOM 818 CB LEU A 54 -6.034 13.569 11.417 1.00 0.00 C ATOM 819 CG LEU A 54 -6.518 12.739 12.634 1.00 0.00 C ATOM 820 CD1 LEU A 54 -6.637 11.258 12.230 1.00 0.00 C ATOM 821 CD2 LEU A 54 -5.506 12.883 13.805 1.00 0.00 C ATOM 0 H LEU A 54 -4.334 14.959 10.292 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.152 12.519 11.658 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.871 14.605 11.716 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.803 13.577 10.645 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.492 13.106 12.957 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.977 10.674 13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.354 11.160 11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.664 10.891 11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.851 12.298 14.658 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.528 12.521 13.488 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.428 13.932 14.092 1.00 0.00 H new ATOM 833 N LEU A 55 -5.630 12.311 8.696 1.00 0.00 N ATOM 834 CA LEU A 55 -5.991 11.367 7.646 1.00 0.00 C ATOM 835 C LEU A 55 -4.747 10.784 6.991 1.00 0.00 C ATOM 836 O LEU A 55 -4.604 9.567 6.884 1.00 0.00 O ATOM 837 CB LEU A 55 -6.847 12.064 6.577 1.00 0.00 C ATOM 838 CG LEU A 55 -7.216 11.059 5.446 1.00 0.00 C ATOM 839 CD1 LEU A 55 -8.684 11.238 5.046 1.00 0.00 C ATOM 840 CD2 LEU A 55 -6.329 11.305 4.215 1.00 0.00 C ATOM 0 H LEU A 55 -5.856 13.284 8.492 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.563 10.559 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.755 12.462 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.302 12.910 6.158 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.058 10.046 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.934 10.532 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.322 11.055 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.842 12.255 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.594 10.598 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.481 12.322 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.282 11.169 4.488 1.00 0.00 H new ATOM 852 N ALA A 56 -3.850 11.662 6.557 1.00 0.00 N ATOM 853 CA ALA A 56 -2.623 11.226 5.910 1.00 0.00 C ATOM 854 C ALA A 56 -1.738 10.460 6.883 1.00 0.00 C ATOM 855 O ALA A 56 -0.951 9.608 6.475 1.00 0.00 O ATOM 856 CB ALA A 56 -1.857 12.435 5.371 1.00 0.00 C ATOM 0 H ALA A 56 -3.950 12.674 6.642 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.891 10.565 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.939 12.099 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.476 12.964 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.609 13.105 6.194 1.00 0.00 H new ATOM 862 N LEU A 57 -1.868 10.772 8.174 1.00 0.00 N ATOM 863 CA LEU A 57 -1.067 10.109 9.203 1.00 0.00 C ATOM 864 C LEU A 57 -1.872 9.953 10.508 1.00 0.00 C ATOM 865 O LEU A 57 -1.974 10.896 11.294 1.00 0.00 O ATOM 866 CB LEU A 57 0.226 10.919 9.462 1.00 0.00 C ATOM 867 CG LEU A 57 1.241 10.720 8.289 1.00 0.00 C ATOM 868 CD1 LEU A 57 1.191 11.930 7.341 1.00 0.00 C ATOM 869 CD2 LEU A 57 2.666 10.575 8.843 1.00 0.00 C ATOM 0 H LEU A 57 -2.516 11.475 8.530 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.800 9.113 8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.015 11.977 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.679 10.601 10.401 1.00 0.00 H new ATOM 0 HG LEU A 57 0.969 9.816 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.901 11.784 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.186 12.031 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.451 12.834 7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.365 10.437 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.934 11.474 9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.712 9.711 9.506 1.00 0.00 H new ATOM 881 N PRO A 58 -2.445 8.782 10.751 1.00 0.00 N ATOM 882 CA PRO A 58 -3.247 8.505 11.986 1.00 0.00 C ATOM 883 C PRO A 58 -2.526 8.952 13.271 1.00 0.00 C ATOM 884 O PRO A 58 -1.451 9.548 13.209 1.00 0.00 O ATOM 885 CB PRO A 58 -3.439 6.977 11.951 1.00 0.00 C ATOM 886 CG PRO A 58 -3.312 6.581 10.519 1.00 0.00 C ATOM 887 CD PRO A 58 -2.387 7.605 9.864 1.00 0.00 C ATOM 0 HA PRO A 58 -4.187 9.057 11.999 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.689 6.475 12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.414 6.697 12.349 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.902 5.575 10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.287 6.572 10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.370 7.223 9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.720 7.852 8.856 1.00 0.00 H new ATOM 895 N PRO A 59 -3.098 8.673 14.426 1.00 0.00 N ATOM 896 CA PRO A 59 -2.506 9.059 15.743 1.00 0.00 C ATOM 897 C PRO A 59 -1.076 8.552 15.897 1.00 0.00 C ATOM 898 O PRO A 59 -0.275 9.140 16.625 1.00 0.00 O ATOM 899 CB PRO A 59 -3.443 8.408 16.772 1.00 0.00 C ATOM 900 CG PRO A 59 -4.743 8.222 16.057 1.00 0.00 C ATOM 901 CD PRO A 59 -4.372 7.954 14.600 1.00 0.00 C ATOM 0 HA PRO A 59 -2.433 10.140 15.861 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.045 7.455 17.119 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.564 9.042 17.651 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.307 7.390 16.478 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.370 9.109 16.146 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.260 6.887 14.405 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.137 8.324 13.917 1.00 0.00 H new ATOM 909 N ARG A 60 -0.764 7.456 15.213 1.00 0.00 N ATOM 910 CA ARG A 60 0.571 6.875 15.284 1.00 0.00 C ATOM 911 C ARG A 60 1.629 7.970 15.216 1.00 0.00 C ATOM 912 O ARG A 60 2.758 7.784 15.670 1.00 0.00 O ATOM 913 CB ARG A 60 0.776 5.897 14.127 1.00 0.00 C ATOM 914 CG ARG A 60 -0.305 4.817 14.179 1.00 0.00 C ATOM 915 CD ARG A 60 -0.144 3.882 12.981 1.00 0.00 C ATOM 916 NE ARG A 60 -1.303 3.001 12.871 1.00 0.00 N ATOM 917 CZ ARG A 60 -1.528 2.045 13.765 1.00 0.00 C ATOM 918 NH1 ARG A 60 -0.705 1.877 14.763 1.00 0.00 N ATOM 919 NH2 ARG A 60 -2.573 1.271 13.643 1.00 0.00 N ATOM 0 H ARG A 60 -1.413 6.955 14.607 1.00 0.00 H new ATOM 0 HA ARG A 60 0.669 6.344 16.231 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.731 6.427 13.176 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.764 5.442 14.192 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.227 4.253 15.108 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.294 5.275 14.167 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.033 4.466 12.067 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.764 3.289 13.092 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.952 3.122 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.112 2.480 14.857 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.879 1.143 15.449 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.216 1.401 12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.747 0.537 14.329 1.00 0.00 H new ATOM 933 N ALA A 61 1.256 9.118 14.643 1.00 0.00 N ATOM 934 CA ALA A 61 2.179 10.246 14.520 1.00 0.00 C ATOM 935 C ALA A 61 1.800 11.350 15.501 1.00 0.00 C ATOM 936 O ALA A 61 0.798 11.248 16.209 1.00 0.00 O ATOM 937 CB ALA A 61 2.153 10.800 13.095 1.00 0.00 C ATOM 0 H ALA A 61 0.326 9.289 14.259 1.00 0.00 H new ATOM 0 HA ALA A 61 3.184 9.893 14.749 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.845 11.639 13.018 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.451 10.019 12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.145 11.138 12.854 1.00 0.00 H new ATOM 943 N TYR A 62 2.608 12.401 15.538 1.00 0.00 N ATOM 944 CA TYR A 62 2.347 13.519 16.435 1.00 0.00 C ATOM 945 C TYR A 62 3.109 14.760 15.978 1.00 0.00 C ATOM 946 O TYR A 62 3.501 15.594 16.794 1.00 0.00 O ATOM 947 CB TYR A 62 2.765 13.152 17.860 1.00 0.00 C ATOM 948 CG TYR A 62 4.111 12.472 17.829 1.00 0.00 C ATOM 949 CD1 TYR A 62 4.192 11.084 17.669 1.00 0.00 C ATOM 950 CD2 TYR A 62 5.283 13.231 17.963 1.00 0.00 C ATOM 951 CE1 TYR A 62 5.442 10.454 17.642 1.00 0.00 C ATOM 952 CE2 TYR A 62 6.532 12.600 17.935 1.00 0.00 C ATOM 953 CZ TYR A 62 6.612 11.211 17.774 1.00 0.00 C ATOM 954 OH TYR A 62 7.843 10.590 17.747 1.00 0.00 O ATOM 0 H TYR A 62 3.444 12.503 14.962 1.00 0.00 H new ATOM 0 HA TYR A 62 1.279 13.737 16.417 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.812 14.048 18.479 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.023 12.493 18.310 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.290 10.499 17.566 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.222 14.302 18.088 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.504 9.383 17.519 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.434 13.184 18.038 1.00 0.00 H new ATOM 0 HH TYR A 62 8.550 11.261 17.851 1.00 0.00 H new ATOM 964 N ALA A 63 3.314 14.875 14.670 1.00 0.00 N ATOM 965 CA ALA A 63 4.031 16.018 14.119 1.00 0.00 C ATOM 966 C ALA A 63 3.208 17.292 14.273 1.00 0.00 C ATOM 967 O ALA A 63 3.778 18.300 14.658 1.00 0.00 O ATOM 968 CB ALA A 63 4.331 15.779 12.638 1.00 0.00 C ATOM 969 OXT ALA A 63 2.018 17.243 14.006 1.00 0.00 O ATOM 0 H ALA A 63 2.997 14.197 13.977 1.00 0.00 H new ATOM 0 HA ALA A 63 4.966 16.135 14.666 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.867 16.637 12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.944 14.884 12.531 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.396 15.645 12.094 1.00 0.00 H new TER 975 ALA A 63