USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=8 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+ -166:sc= -0.0779 (180deg=-0.335) USER MOD Single : A 4 ASN : amide:sc= -1.86 K(o=-1.9,f=-4.5!) USER MOD Single : A 9 ASN : amide:sc= 0.485 K(o=0.48,f=-0.79) USER MOD Single : A 12 SER OG : rot -25:sc= 0.531 USER MOD Single : A 17 HIS : no HD1:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 21 SER OG : rot 82:sc= 0.0955 USER MOD Single : A 27 SER OG : rot 70:sc= 0.212 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 5.633 3.125 11.599 1.00 0.00 N ATOM 2 CA ALA A 1 6.102 2.646 10.268 1.00 0.00 C ATOM 3 C ALA A 1 4.977 2.796 9.250 1.00 0.00 C ATOM 4 O ALA A 1 5.221 2.860 8.046 1.00 0.00 O ATOM 5 CB ALA A 1 6.516 1.177 10.376 1.00 0.00 C ATOM 0 H1 ALA A 1 6.450 3.248 12.231 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.141 4.035 11.487 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.980 2.427 12.009 1.00 0.00 H new ATOM 0 HA ALA A 1 6.958 3.238 9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.860 0.823 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.322 1.079 11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.662 0.581 10.698 1.00 0.00 H new ATOM 13 N LEU A 2 3.744 2.853 9.742 1.00 0.00 N ATOM 14 CA LEU A 2 2.588 3.004 8.866 1.00 0.00 C ATOM 15 C LEU A 2 2.522 4.421 8.307 1.00 0.00 C ATOM 16 O LEU A 2 2.899 5.382 8.977 1.00 0.00 O ATOM 17 CB LEU A 2 1.303 2.697 9.638 1.00 0.00 C ATOM 18 CG LEU A 2 1.503 1.438 10.482 1.00 0.00 C ATOM 19 CD1 LEU A 2 0.163 1.006 11.081 1.00 0.00 C ATOM 20 CD2 LEU A 2 2.050 0.314 9.598 1.00 0.00 C ATOM 0 H LEU A 2 3.520 2.797 10.736 1.00 0.00 H new ATOM 0 HA LEU A 2 2.689 2.303 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.041 3.539 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.475 2.555 8.944 1.00 0.00 H new ATOM 0 HG LEU A 2 2.210 1.648 11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.306 0.108 11.683 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.229 1.806 11.710 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.544 0.796 10.278 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.193 -0.584 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.342 0.105 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.004 0.620 9.170 1.00 0.00 H new ATOM 32 N GLU A 3 2.040 4.544 7.073 1.00 0.00 N ATOM 33 CA GLU A 3 1.932 5.849 6.433 1.00 0.00 C ATOM 34 C GLU A 3 0.471 6.276 6.332 1.00 0.00 C ATOM 35 O GLU A 3 -0.403 5.688 6.967 1.00 0.00 O ATOM 36 CB GLU A 3 2.548 5.797 5.034 1.00 0.00 C ATOM 37 CG GLU A 3 4.055 5.556 5.148 1.00 0.00 C ATOM 38 CD GLU A 3 4.722 6.743 5.831 1.00 0.00 C ATOM 39 OE1 GLU A 3 4.149 7.819 5.799 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.798 6.560 6.376 1.00 0.00 O ATOM 0 H GLU A 3 1.721 3.762 6.501 1.00 0.00 H new ATOM 0 HA GLU A 3 2.471 6.577 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.085 5.001 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.357 6.731 4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.244 4.645 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.484 5.408 4.157 1.00 0.00 H new ATOM 47 N ASN A 4 0.214 7.304 5.529 1.00 0.00 N ATOM 48 CA ASN A 4 -1.145 7.802 5.352 1.00 0.00 C ATOM 49 C ASN A 4 -1.992 6.788 4.590 1.00 0.00 C ATOM 50 O ASN A 4 -3.038 6.351 5.072 1.00 0.00 O ATOM 51 CB ASN A 4 -1.120 9.127 4.588 1.00 0.00 C ATOM 52 CG ASN A 4 -0.247 10.137 5.324 1.00 0.00 C ATOM 53 OD1 ASN A 4 0.427 9.786 6.293 1.00 0.00 O ATOM 54 ND2 ASN A 4 -0.218 11.378 4.920 1.00 0.00 N ATOM 0 H ASN A 4 0.923 7.805 4.994 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.586 7.959 6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.736 8.968 3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.133 9.516 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.364 12.059 5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.777 11.666 4.117 1.00 0.00 H new ATOM 61 N LEU A 5 -1.535 6.419 3.399 1.00 0.00 N ATOM 62 CA LEU A 5 -2.277 5.482 2.563 1.00 0.00 C ATOM 63 C LEU A 5 -2.604 4.212 3.342 1.00 0.00 C ATOM 64 O LEU A 5 -3.327 3.342 2.855 1.00 0.00 O ATOM 65 CB LEU A 5 -1.456 5.125 1.322 1.00 0.00 C ATOM 66 CG LEU A 5 -1.552 6.260 0.302 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.990 6.366 -0.211 1.00 0.00 C ATOM 68 CD2 LEU A 5 -1.152 7.578 0.968 1.00 0.00 C ATOM 0 H LEU A 5 -0.661 6.751 2.992 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.209 5.957 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.415 4.957 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.824 4.197 0.885 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.882 6.055 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.058 7.175 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.277 5.427 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.660 6.571 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.220 8.388 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.822 7.782 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.128 7.504 1.335 1.00 0.00 H new ATOM 80 N VAL A 6 -2.067 4.112 4.553 1.00 0.00 N ATOM 81 CA VAL A 6 -2.310 2.943 5.391 1.00 0.00 C ATOM 82 C VAL A 6 -3.524 3.168 6.285 1.00 0.00 C ATOM 83 O VAL A 6 -4.441 2.347 6.320 1.00 0.00 O ATOM 84 CB VAL A 6 -1.082 2.659 6.259 1.00 0.00 C ATOM 85 CG1 VAL A 6 -1.298 1.364 7.043 1.00 0.00 C ATOM 86 CG2 VAL A 6 0.151 2.512 5.364 1.00 0.00 C ATOM 0 H VAL A 6 -1.465 4.820 4.974 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.503 2.088 4.743 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.932 3.484 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.423 1.162 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.176 1.467 7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.449 0.538 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.026 2.310 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.001 1.687 4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.307 3.435 4.805 1.00 0.00 H new ATOM 96 N VAL A 7 -3.526 4.285 7.005 1.00 0.00 N ATOM 97 CA VAL A 7 -4.631 4.602 7.903 1.00 0.00 C ATOM 98 C VAL A 7 -5.792 5.213 7.127 1.00 0.00 C ATOM 99 O VAL A 7 -6.941 5.162 7.569 1.00 0.00 O ATOM 100 CB VAL A 7 -4.163 5.582 8.980 1.00 0.00 C ATOM 101 CG1 VAL A 7 -3.783 6.914 8.330 1.00 0.00 C ATOM 102 CG2 VAL A 7 -5.293 5.811 9.985 1.00 0.00 C ATOM 0 H VAL A 7 -2.781 4.981 6.985 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.969 3.679 8.374 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.295 5.169 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.450 7.612 9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.978 6.752 7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.650 7.328 7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.961 6.509 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.160 6.224 9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.565 4.863 10.449 1.00 0.00 H new ATOM 112 N LEU A 8 -5.487 5.790 5.970 1.00 0.00 N ATOM 113 CA LEU A 8 -6.515 6.408 5.141 1.00 0.00 C ATOM 114 C LEU A 8 -7.539 5.369 4.694 1.00 0.00 C ATOM 115 O LEU A 8 -8.747 5.598 4.775 1.00 0.00 O ATOM 116 CB LEU A 8 -5.875 7.058 3.913 1.00 0.00 C ATOM 117 CG LEU A 8 -6.705 8.270 3.485 1.00 0.00 C ATOM 118 CD1 LEU A 8 -8.159 7.845 3.274 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.641 9.340 4.577 1.00 0.00 C ATOM 0 H LEU A 8 -4.543 5.843 5.587 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.022 7.170 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.855 7.365 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.816 6.338 3.097 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.306 8.673 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.750 8.709 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.206 7.081 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.559 7.442 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.232 10.205 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.040 8.935 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.605 9.643 4.729 1.00 0.00 H new ATOM 131 N ASN A 9 -7.048 4.228 4.221 1.00 0.00 N ATOM 132 CA ASN A 9 -7.931 3.161 3.761 1.00 0.00 C ATOM 133 C ASN A 9 -8.769 2.623 4.917 1.00 0.00 C ATOM 134 O ASN A 9 -9.981 2.451 4.789 1.00 0.00 O ATOM 135 CB ASN A 9 -7.105 2.025 3.156 1.00 0.00 C ATOM 136 CG ASN A 9 -6.618 2.418 1.765 1.00 0.00 C ATOM 137 OD1 ASN A 9 -7.257 2.086 0.766 1.00 0.00 O ATOM 138 ND2 ASN A 9 -5.518 3.109 1.639 1.00 0.00 N ATOM 0 H ASN A 9 -6.052 4.019 4.146 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.599 3.569 3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.254 1.801 3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.707 1.118 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.186 3.375 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.990 3.383 2.468 1.00 0.00 H new ATOM 145 N ALA A 10 -8.115 2.361 6.044 1.00 0.00 N ATOM 146 CA ALA A 10 -8.811 1.845 7.217 1.00 0.00 C ATOM 147 C ALA A 10 -9.695 2.925 7.834 1.00 0.00 C ATOM 148 O ALA A 10 -10.790 2.641 8.319 1.00 0.00 O ATOM 149 CB ALA A 10 -7.797 1.359 8.254 1.00 0.00 C ATOM 0 H ALA A 10 -7.112 2.496 6.170 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.440 1.011 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.325 0.975 9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.186 0.566 7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.156 2.189 8.553 1.00 0.00 H new ATOM 155 N ALA A 11 -9.211 4.163 7.811 1.00 0.00 N ATOM 156 CA ALA A 11 -9.964 5.277 8.374 1.00 0.00 C ATOM 157 C ALA A 11 -11.350 5.360 7.743 1.00 0.00 C ATOM 158 O ALA A 11 -12.349 5.555 8.436 1.00 0.00 O ATOM 159 CB ALA A 11 -9.214 6.588 8.136 1.00 0.00 C ATOM 0 H ALA A 11 -8.308 4.418 7.412 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.074 5.111 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.784 7.415 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.235 6.539 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.088 6.746 7.065 1.00 0.00 H new ATOM 165 N SER A 12 -11.404 5.210 6.423 1.00 0.00 N ATOM 166 CA SER A 12 -12.674 5.267 5.710 1.00 0.00 C ATOM 167 C SER A 12 -13.598 4.144 6.171 1.00 0.00 C ATOM 168 O SER A 12 -14.797 4.352 6.359 1.00 0.00 O ATOM 169 CB SER A 12 -12.432 5.146 4.204 1.00 0.00 C ATOM 170 OG SER A 12 -11.736 3.935 3.937 1.00 0.00 O ATOM 0 H SER A 12 -10.590 5.049 5.830 1.00 0.00 H new ATOM 0 HA SER A 12 -13.149 6.224 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.382 5.159 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.853 5.998 3.847 1.00 0.00 H new ATOM 0 HG SER A 12 -11.230 3.666 4.732 1.00 0.00 H new ATOM 176 N VAL A 13 -13.033 2.955 6.350 1.00 0.00 N ATOM 177 CA VAL A 13 -13.816 1.807 6.791 1.00 0.00 C ATOM 178 C VAL A 13 -14.269 1.991 8.237 1.00 0.00 C ATOM 179 O VAL A 13 -15.419 1.712 8.577 1.00 0.00 O ATOM 180 CB VAL A 13 -12.981 0.531 6.676 1.00 0.00 C ATOM 181 CG1 VAL A 13 -13.791 -0.658 7.198 1.00 0.00 C ATOM 182 CG2 VAL A 13 -12.618 0.292 5.208 1.00 0.00 C ATOM 0 H VAL A 13 -12.043 2.762 6.198 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.696 1.725 6.153 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.070 0.638 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.196 -1.568 7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.054 -0.489 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.701 -0.765 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.023 -0.617 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.530 0.184 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.043 1.138 4.833 1.00 0.00 H new ATOM 192 N ALA A 14 -13.359 2.463 9.081 1.00 0.00 N ATOM 193 CA ALA A 14 -13.673 2.668 10.491 1.00 0.00 C ATOM 194 C ALA A 14 -14.885 3.582 10.643 1.00 0.00 C ATOM 195 O ALA A 14 -15.847 3.242 11.330 1.00 0.00 O ATOM 196 CB ALA A 14 -12.472 3.287 11.209 1.00 0.00 C ATOM 0 H ALA A 14 -12.405 2.709 8.817 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.904 1.700 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.715 3.437 12.261 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.615 2.619 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.230 4.247 10.752 1.00 0.00 H new ATOM 202 N GLY A 15 -14.830 4.742 9.996 1.00 0.00 N ATOM 203 CA GLY A 15 -15.928 5.699 10.070 1.00 0.00 C ATOM 204 C GLY A 15 -15.440 7.050 10.581 1.00 0.00 C ATOM 205 O GLY A 15 -15.185 7.965 9.797 1.00 0.00 O ATOM 0 H GLY A 15 -14.044 5.040 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.377 5.820 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.706 5.316 10.730 1.00 0.00 H new ATOM 209 N ALA A 16 -15.312 7.168 11.898 1.00 0.00 N ATOM 210 CA ALA A 16 -14.857 8.415 12.502 1.00 0.00 C ATOM 211 C ALA A 16 -13.617 8.938 11.783 1.00 0.00 C ATOM 212 O ALA A 16 -13.661 9.976 11.125 1.00 0.00 O ATOM 213 CB ALA A 16 -14.536 8.192 13.980 1.00 0.00 C ATOM 0 H ALA A 16 -15.515 6.422 12.563 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.654 9.153 12.411 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.197 9.128 14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.431 7.848 14.499 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.751 7.441 14.073 1.00 0.00 H new ATOM 219 N HIS A 17 -12.512 8.211 11.916 1.00 0.00 N ATOM 220 CA HIS A 17 -11.266 8.610 11.273 1.00 0.00 C ATOM 221 C HIS A 17 -11.488 8.872 9.787 1.00 0.00 C ATOM 222 O HIS A 17 -10.687 9.544 9.138 1.00 0.00 O ATOM 223 CB HIS A 17 -10.213 7.513 11.448 1.00 0.00 C ATOM 224 CG HIS A 17 -9.487 7.718 12.749 1.00 0.00 C ATOM 225 ND1 HIS A 17 -8.144 8.053 12.801 1.00 0.00 N ATOM 226 CD2 HIS A 17 -9.905 7.637 14.055 1.00 0.00 C ATOM 227 CE1 HIS A 17 -7.802 8.161 14.098 1.00 0.00 C ATOM 228 NE2 HIS A 17 -8.839 7.918 14.905 1.00 0.00 N ATOM 0 H HIS A 17 -12.454 7.349 12.459 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.915 9.529 11.743 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.689 6.532 11.435 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.507 7.536 10.618 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.908 7.393 14.374 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.811 8.413 14.444 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.848 7.935 15.925 1.00 0.00 H new ATOM 236 N GLY A 18 -12.582 8.336 9.254 1.00 0.00 N ATOM 237 CA GLY A 18 -12.898 8.513 7.841 1.00 0.00 C ATOM 238 C GLY A 18 -13.400 9.926 7.569 1.00 0.00 C ATOM 239 O GLY A 18 -12.870 10.628 6.707 1.00 0.00 O ATOM 0 H GLY A 18 -13.260 7.780 9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.011 8.315 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.656 7.789 7.540 1.00 0.00 H new ATOM 243 N ILE A 19 -14.424 10.338 8.309 1.00 0.00 N ATOM 244 CA ILE A 19 -15.002 11.664 8.124 1.00 0.00 C ATOM 245 C ILE A 19 -14.025 12.742 8.580 1.00 0.00 C ATOM 246 O ILE A 19 -14.108 13.893 8.148 1.00 0.00 O ATOM 247 CB ILE A 19 -16.302 11.781 8.921 1.00 0.00 C ATOM 248 CG1 ILE A 19 -16.059 11.327 10.362 1.00 0.00 C ATOM 249 CG2 ILE A 19 -17.375 10.898 8.282 1.00 0.00 C ATOM 250 CD1 ILE A 19 -17.282 11.664 11.218 1.00 0.00 C ATOM 0 H ILE A 19 -14.868 9.778 9.037 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.212 11.805 7.064 1.00 0.00 H new ATOM 0 HB ILE A 19 -16.637 12.818 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.868 10.254 10.389 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.174 11.819 10.765 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -18.301 10.982 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -17.549 11.221 7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -17.041 9.860 8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -17.108 11.340 12.244 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -17.453 12.740 11.201 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -18.158 11.152 10.819 1.00 0.00 H new ATOM 262 N LEU A 20 -13.098 12.363 9.454 1.00 0.00 N ATOM 263 CA LEU A 20 -12.099 13.304 9.949 1.00 0.00 C ATOM 264 C LEU A 20 -11.120 13.677 8.841 1.00 0.00 C ATOM 265 O LEU A 20 -10.746 14.842 8.697 1.00 0.00 O ATOM 266 CB LEU A 20 -11.335 12.685 11.121 1.00 0.00 C ATOM 267 CG LEU A 20 -11.819 13.304 12.432 1.00 0.00 C ATOM 268 CD1 LEU A 20 -11.568 14.813 12.407 1.00 0.00 C ATOM 269 CD2 LEU A 20 -13.318 13.041 12.596 1.00 0.00 C ATOM 0 H LEU A 20 -13.017 11.419 9.832 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.611 14.206 10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.488 11.606 11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.265 12.854 11.001 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.277 12.859 13.266 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.913 15.255 13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.501 15.002 12.288 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.111 15.258 11.573 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.665 13.482 13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.859 13.487 11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.499 11.966 12.613 1.00 0.00 H new ATOM 281 N SER A 21 -10.709 12.683 8.061 1.00 0.00 N ATOM 282 CA SER A 21 -9.776 12.921 6.965 1.00 0.00 C ATOM 283 C SER A 21 -10.402 13.837 5.918 1.00 0.00 C ATOM 284 O SER A 21 -9.700 14.574 5.226 1.00 0.00 O ATOM 285 CB SER A 21 -9.385 11.593 6.317 1.00 0.00 C ATOM 286 OG SER A 21 -8.530 10.875 7.196 1.00 0.00 O ATOM 0 H SER A 21 -11.004 11.712 8.165 1.00 0.00 H new ATOM 0 HA SER A 21 -8.886 13.405 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.277 11.006 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.881 11.773 5.367 1.00 0.00 H new ATOM 0 HG SER A 21 -9.069 10.405 7.866 1.00 0.00 H new ATOM 292 N PHE A 22 -11.725 13.785 5.808 1.00 0.00 N ATOM 293 CA PHE A 22 -12.435 14.618 4.845 1.00 0.00 C ATOM 294 C PHE A 22 -12.268 16.095 5.188 1.00 0.00 C ATOM 295 O PHE A 22 -12.607 16.970 4.391 1.00 0.00 O ATOM 296 CB PHE A 22 -13.922 14.259 4.840 1.00 0.00 C ATOM 297 CG PHE A 22 -14.164 13.127 3.870 1.00 0.00 C ATOM 298 CD1 PHE A 22 -13.400 11.958 3.955 1.00 0.00 C ATOM 299 CD2 PHE A 22 -15.153 13.248 2.886 1.00 0.00 C ATOM 300 CE1 PHE A 22 -13.624 10.908 3.056 1.00 0.00 C ATOM 301 CE2 PHE A 22 -15.377 12.198 1.987 1.00 0.00 C ATOM 302 CZ PHE A 22 -14.612 11.029 2.072 1.00 0.00 C ATOM 0 H PHE A 22 -12.324 13.179 6.369 1.00 0.00 H new ATOM 0 HA PHE A 22 -12.014 14.436 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -14.240 13.968 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -14.516 15.128 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -12.637 11.865 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -15.743 14.151 2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -13.035 10.005 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -16.140 12.290 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.784 10.220 1.378 1.00 0.00 H new ATOM 312 N LEU A 23 -11.742 16.365 6.379 1.00 0.00 N ATOM 313 CA LEU A 23 -11.533 17.740 6.817 1.00 0.00 C ATOM 314 C LEU A 23 -10.996 18.591 5.671 1.00 0.00 C ATOM 315 O LEU A 23 -11.386 19.747 5.508 1.00 0.00 O ATOM 316 CB LEU A 23 -10.547 17.772 7.986 1.00 0.00 C ATOM 317 CG LEU A 23 -10.328 19.218 8.431 1.00 0.00 C ATOM 318 CD1 LEU A 23 -11.640 19.791 8.971 1.00 0.00 C ATOM 319 CD2 LEU A 23 -9.265 19.257 9.531 1.00 0.00 C ATOM 0 H LEU A 23 -11.455 15.655 7.053 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.491 18.149 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.932 17.180 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.599 17.325 7.688 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.995 19.813 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.483 20.822 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.398 19.763 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.974 19.197 9.821 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.108 20.288 9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.599 18.662 10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.330 18.849 9.148 1.00 0.00 H new ATOM 331 N VAL A 24 -10.097 18.012 4.882 1.00 0.00 N ATOM 332 CA VAL A 24 -9.518 18.725 3.749 1.00 0.00 C ATOM 333 C VAL A 24 -10.553 18.903 2.642 1.00 0.00 C ATOM 334 O VAL A 24 -10.619 19.953 2.004 1.00 0.00 O ATOM 335 CB VAL A 24 -8.315 17.952 3.205 1.00 0.00 C ATOM 336 CG1 VAL A 24 -7.527 18.843 2.245 1.00 0.00 C ATOM 337 CG2 VAL A 24 -7.412 17.533 4.368 1.00 0.00 C ATOM 0 H VAL A 24 -9.756 17.059 5.004 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.194 19.708 4.090 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.662 17.065 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.670 18.292 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.169 19.144 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.179 19.730 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.554 16.982 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.065 18.420 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.973 16.898 5.054 1.00 0.00 H new ATOM 347 N PHE A 25 -11.359 17.869 2.421 1.00 0.00 N ATOM 348 CA PHE A 25 -12.378 17.917 1.380 1.00 0.00 C ATOM 349 C PHE A 25 -13.550 18.792 1.815 1.00 0.00 C ATOM 350 O PHE A 25 -14.241 19.380 0.984 1.00 0.00 O ATOM 351 CB PHE A 25 -12.880 16.505 1.073 1.00 0.00 C ATOM 352 CG PHE A 25 -13.962 16.571 0.023 1.00 0.00 C ATOM 353 CD1 PHE A 25 -13.619 16.625 -1.333 1.00 0.00 C ATOM 354 CD2 PHE A 25 -15.309 16.579 0.405 1.00 0.00 C ATOM 355 CE1 PHE A 25 -14.623 16.687 -2.308 1.00 0.00 C ATOM 356 CE2 PHE A 25 -16.313 16.641 -0.570 1.00 0.00 C ATOM 357 CZ PHE A 25 -15.970 16.694 -1.925 1.00 0.00 C ATOM 0 H PHE A 25 -11.327 16.994 2.945 1.00 0.00 H new ATOM 0 HA PHE A 25 -11.932 18.347 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.056 15.883 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.267 16.040 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.580 16.619 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -15.574 16.537 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.358 16.729 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -17.352 16.648 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.744 16.740 -2.676 1.00 0.00 H new ATOM 367 N PHE A 26 -13.765 18.874 3.124 1.00 0.00 N ATOM 368 CA PHE A 26 -14.860 19.675 3.659 1.00 0.00 C ATOM 369 C PHE A 26 -14.595 21.160 3.437 1.00 0.00 C ATOM 370 O PHE A 26 -15.494 21.910 3.058 1.00 0.00 O ATOM 371 CB PHE A 26 -15.024 19.402 5.156 1.00 0.00 C ATOM 372 CG PHE A 26 -16.443 18.972 5.437 1.00 0.00 C ATOM 373 CD1 PHE A 26 -16.921 17.757 4.932 1.00 0.00 C ATOM 374 CD2 PHE A 26 -17.283 19.791 6.203 1.00 0.00 C ATOM 375 CE1 PHE A 26 -18.238 17.360 5.193 1.00 0.00 C ATOM 376 CE2 PHE A 26 -18.600 19.393 6.464 1.00 0.00 C ATOM 377 CZ PHE A 26 -19.077 18.177 5.959 1.00 0.00 C ATOM 0 H PHE A 26 -13.201 18.400 3.829 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.776 19.399 3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.328 18.625 5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.784 20.298 5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.274 17.126 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.915 20.729 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.607 16.423 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.248 20.024 7.055 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.093 17.870 6.161 1.00 0.00 H new ATOM 387 N SER A 27 -13.356 21.577 3.676 1.00 0.00 N ATOM 388 CA SER A 27 -12.985 22.977 3.503 1.00 0.00 C ATOM 389 C SER A 27 -13.521 23.514 2.179 1.00 0.00 C ATOM 390 O SER A 27 -14.035 24.630 2.114 1.00 0.00 O ATOM 391 CB SER A 27 -11.464 23.122 3.535 1.00 0.00 C ATOM 392 OG SER A 27 -10.967 22.579 4.752 1.00 0.00 O ATOM 0 H SER A 27 -12.597 20.971 3.988 1.00 0.00 H new ATOM 0 HA SER A 27 -13.422 23.552 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.020 22.605 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.185 24.172 3.451 1.00 0.00 H new ATOM 0 HG SER A 27 -11.071 21.605 4.742 1.00 0.00 H new ATOM 398 N ALA A 28 -13.397 22.712 1.127 1.00 0.00 N ATOM 399 CA ALA A 28 -13.867 23.119 -0.192 1.00 0.00 C ATOM 400 C ALA A 28 -15.386 23.004 -0.278 1.00 0.00 C ATOM 401 O ALA A 28 -16.044 23.823 -0.918 1.00 0.00 O ATOM 402 CB ALA A 28 -13.225 22.243 -1.269 1.00 0.00 C ATOM 0 H ALA A 28 -12.978 21.783 1.161 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.583 24.159 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.582 22.554 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.141 22.349 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.494 21.201 -1.098 1.00 0.00 H new ATOM 408 N ALA A 29 -15.935 21.982 0.370 1.00 0.00 N ATOM 409 CA ALA A 29 -17.377 21.766 0.354 1.00 0.00 C ATOM 410 C ALA A 29 -18.108 22.988 0.902 1.00 0.00 C ATOM 411 O ALA A 29 -19.155 23.379 0.386 1.00 0.00 O ATOM 412 CB ALA A 29 -17.731 20.538 1.194 1.00 0.00 C ATOM 0 H ALA A 29 -15.408 21.295 0.909 1.00 0.00 H new ATOM 0 HA ALA A 29 -17.689 21.602 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.810 20.384 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.232 19.660 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -17.403 20.693 2.222 1.00 0.00 H new ATOM 418 N TRP A 30 -17.549 23.586 1.949 1.00 0.00 N ATOM 419 CA TRP A 30 -18.157 24.763 2.559 1.00 0.00 C ATOM 420 C TRP A 30 -18.056 25.963 1.624 1.00 0.00 C ATOM 421 O TRP A 30 -18.944 26.816 1.594 1.00 0.00 O ATOM 422 CB TRP A 30 -17.461 25.083 3.883 1.00 0.00 C ATOM 423 CG TRP A 30 -18.079 24.277 4.979 1.00 0.00 C ATOM 424 CD1 TRP A 30 -17.862 22.959 5.191 1.00 0.00 C ATOM 425 CD2 TRP A 30 -19.008 24.711 6.014 1.00 0.00 C ATOM 426 NE1 TRP A 30 -18.599 22.556 6.290 1.00 0.00 N ATOM 427 CE2 TRP A 30 -19.321 23.600 6.833 1.00 0.00 C ATOM 428 CE3 TRP A 30 -19.603 25.949 6.320 1.00 0.00 C ATOM 429 CZ2 TRP A 30 -20.194 23.713 7.916 1.00 0.00 C ATOM 430 CZ3 TRP A 30 -20.482 26.066 7.410 1.00 0.00 C ATOM 431 CH2 TRP A 30 -20.777 24.949 8.205 1.00 0.00 C ATOM 0 H TRP A 30 -16.682 23.278 2.390 1.00 0.00 H new ATOM 0 HA TRP A 30 -19.210 24.551 2.745 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -16.396 24.860 3.809 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -17.550 26.146 4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -17.219 22.325 4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -18.608 21.604 6.655 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -19.383 26.815 5.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -20.417 22.851 8.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -20.933 27.021 7.637 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -21.455 25.044 9.040 1.00 0.00 H new ATOM 442 N TYR A 31 -16.968 26.024 0.862 1.00 0.00 N ATOM 443 CA TYR A 31 -16.753 27.134 -0.058 1.00 0.00 C ATOM 444 C TYR A 31 -17.871 27.197 -1.094 1.00 0.00 C ATOM 445 O TYR A 31 -18.118 28.244 -1.692 1.00 0.00 O ATOM 446 CB TYR A 31 -15.407 26.973 -0.766 1.00 0.00 C ATOM 447 CG TYR A 31 -15.195 28.127 -1.716 1.00 0.00 C ATOM 448 CD1 TYR A 31 -14.852 29.389 -1.218 1.00 0.00 C ATOM 449 CD2 TYR A 31 -15.342 27.934 -3.095 1.00 0.00 C ATOM 450 CE1 TYR A 31 -14.656 30.460 -2.099 1.00 0.00 C ATOM 451 CE2 TYR A 31 -15.146 29.006 -3.976 1.00 0.00 C ATOM 452 CZ TYR A 31 -14.802 30.268 -3.478 1.00 0.00 C ATOM 453 OH TYR A 31 -14.609 31.323 -4.346 1.00 0.00 O ATOM 0 H TYR A 31 -16.227 25.323 0.863 1.00 0.00 H new ATOM 0 HA TYR A 31 -16.753 28.061 0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -14.601 26.939 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.382 26.030 -1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.738 29.537 -0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.606 26.960 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -14.392 31.434 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.260 28.858 -5.040 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.748 31.018 -5.267 1.00 0.00 H new ATOM 463 N ILE A 32 -18.544 26.069 -1.300 1.00 0.00 N ATOM 464 CA ILE A 32 -19.627 26.005 -2.274 1.00 0.00 C ATOM 465 C ILE A 32 -20.583 27.179 -2.090 1.00 0.00 C ATOM 466 O ILE A 32 -20.916 27.877 -3.048 1.00 0.00 O ATOM 467 CB ILE A 32 -20.394 24.691 -2.115 1.00 0.00 C ATOM 468 CG1 ILE A 32 -21.376 24.532 -3.279 1.00 0.00 C ATOM 469 CG2 ILE A 32 -21.166 24.705 -0.796 1.00 0.00 C ATOM 470 CD1 ILE A 32 -20.599 24.362 -4.585 1.00 0.00 C ATOM 0 H ILE A 32 -18.360 25.194 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 32 -19.195 26.056 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.691 23.858 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -22.018 23.668 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -22.026 25.405 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.712 23.768 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.468 24.819 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -21.870 25.537 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.299 24.249 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.976 25.240 -4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -19.968 23.476 -4.520 1.00 0.00 H new ATOM 482 N LYS A 33 -21.021 27.392 -0.854 1.00 0.00 N ATOM 483 CA LYS A 33 -21.941 28.484 -0.557 1.00 0.00 C ATOM 484 C LYS A 33 -21.275 29.831 -0.821 1.00 0.00 C ATOM 485 O LYS A 33 -21.833 30.685 -1.511 1.00 0.00 O ATOM 486 CB LYS A 33 -22.384 28.410 0.906 1.00 0.00 C ATOM 487 CG LYS A 33 -23.719 29.139 1.072 1.00 0.00 C ATOM 488 CD LYS A 33 -24.868 28.181 0.749 1.00 0.00 C ATOM 489 CE LYS A 33 -25.253 27.402 2.008 1.00 0.00 C ATOM 490 NZ LYS A 33 -26.338 26.435 1.680 1.00 0.00 N ATOM 0 H LYS A 33 -20.756 26.828 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.812 28.388 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -22.485 27.369 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -21.629 28.861 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -23.818 29.511 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -23.757 30.005 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -25.727 28.739 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -24.570 27.492 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -24.385 26.872 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -25.586 28.089 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -26.601 25.905 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -27.168 26.952 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -26.004 25.773 0.951 1.00 0.00 H new ATOM 504 N GLY A 34 -20.081 30.015 -0.268 1.00 0.00 N ATOM 505 CA GLY A 34 -19.336 31.250 -0.475 1.00 0.00 C ATOM 506 C GLY A 34 -19.769 32.321 0.521 1.00 0.00 C ATOM 507 O GLY A 34 -19.949 33.484 0.158 1.00 0.00 O ATOM 0 H GLY A 34 -19.611 29.329 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.269 31.058 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.494 31.609 -1.492 1.00 0.00 H new ATOM 511 N ARG A 35 -19.936 31.920 1.777 1.00 0.00 N ATOM 512 CA ARG A 35 -20.338 32.858 2.820 1.00 0.00 C ATOM 513 C ARG A 35 -19.685 32.492 4.149 1.00 0.00 C ATOM 514 O ARG A 35 -19.823 33.213 5.138 1.00 0.00 O ATOM 515 CB ARG A 35 -21.860 32.846 2.975 1.00 0.00 C ATOM 516 CG ARG A 35 -22.301 31.508 3.574 1.00 0.00 C ATOM 517 CD ARG A 35 -23.815 31.524 3.798 1.00 0.00 C ATOM 518 NE ARG A 35 -24.163 32.502 4.822 1.00 0.00 N ATOM 519 CZ ARG A 35 -25.402 32.589 5.294 1.00 0.00 C ATOM 520 NH1 ARG A 35 -26.331 31.792 4.843 1.00 0.00 N ATOM 521 NH2 ARG A 35 -25.690 33.473 6.211 1.00 0.00 N ATOM 0 H ARG A 35 -19.801 30.961 2.096 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.011 33.857 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.177 33.667 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.336 32.998 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.030 30.691 2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.785 31.332 4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -24.325 31.766 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -24.156 30.534 4.100 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.444 33.129 5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -26.107 31.101 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -27.282 31.860 5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.964 34.096 6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -26.641 33.540 6.574 1.00 0.00 H new ATOM 535 N LEU A 36 -18.976 31.368 4.165 1.00 0.00 N ATOM 536 CA LEU A 36 -18.318 30.909 5.383 1.00 0.00 C ATOM 537 C LEU A 36 -18.445 31.954 6.487 1.00 0.00 C ATOM 538 O LEU A 36 -17.468 32.609 6.850 1.00 0.00 O ATOM 539 CB LEU A 36 -16.838 30.635 5.104 1.00 0.00 C ATOM 540 CG LEU A 36 -16.204 29.970 6.326 1.00 0.00 C ATOM 541 CD1 LEU A 36 -16.805 28.576 6.519 1.00 0.00 C ATOM 542 CD2 LEU A 36 -14.694 29.847 6.113 1.00 0.00 C ATOM 0 H LEU A 36 -18.843 30.762 3.355 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.802 29.990 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.735 29.990 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -16.321 31.567 4.875 1.00 0.00 H new ATOM 0 HG LEU A 36 -16.400 30.576 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.353 28.102 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.881 28.661 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.610 27.970 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.241 29.373 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.500 29.241 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.264 30.839 5.975 1.00 0.00 H new ATOM 554 N ALA A 37 -19.655 32.103 7.016 1.00 0.00 N ATOM 555 CA ALA A 37 -19.891 33.051 8.099 1.00 0.00 C ATOM 556 C ALA A 37 -18.588 33.380 8.818 1.00 0.00 C ATOM 557 O ALA A 37 -18.195 32.691 9.761 1.00 0.00 O ATOM 558 CB ALA A 37 -20.893 32.465 9.096 1.00 0.00 C ATOM 0 H ALA A 37 -20.481 31.585 6.716 1.00 0.00 H new ATOM 0 HA ALA A 37 -20.297 33.968 7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -21.064 33.179 9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.835 32.260 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -20.495 31.539 9.510 1.00 0.00 H new ATOM 564 N PRO A 38 -17.918 34.414 8.389 1.00 0.00 N ATOM 565 CA PRO A 38 -16.629 34.852 8.998 1.00 0.00 C ATOM 566 C PRO A 38 -16.745 35.058 10.505 1.00 0.00 C ATOM 567 O PRO A 38 -17.814 35.396 11.015 1.00 0.00 O ATOM 568 CB PRO A 38 -16.322 36.171 8.287 1.00 0.00 C ATOM 569 CG PRO A 38 -17.075 36.114 6.998 1.00 0.00 C ATOM 570 CD PRO A 38 -18.322 35.281 7.272 1.00 0.00 C ATOM 0 HA PRO A 38 -15.844 34.105 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.637 37.024 8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.252 36.283 8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -17.342 37.115 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.469 35.662 6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -19.173 35.908 7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.616 34.699 6.398 1.00 0.00 H new ATOM 578 N GLY A 39 -15.639 34.853 11.212 1.00 0.00 N ATOM 579 CA GLY A 39 -15.631 35.011 12.662 1.00 0.00 C ATOM 580 C GLY A 39 -15.051 33.775 13.342 1.00 0.00 C ATOM 581 O GLY A 39 -13.912 33.788 13.808 1.00 0.00 O ATOM 0 H GLY A 39 -14.743 34.579 10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.044 35.889 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.646 35.184 13.018 1.00 0.00 H new ATOM 585 N ALA A 40 -15.842 32.709 13.393 1.00 0.00 N ATOM 586 CA ALA A 40 -15.394 31.467 14.012 1.00 0.00 C ATOM 587 C ALA A 40 -14.667 30.593 12.995 1.00 0.00 C ATOM 588 O ALA A 40 -13.445 30.451 13.046 1.00 0.00 O ATOM 589 CB ALA A 40 -16.591 30.703 14.579 1.00 0.00 C ATOM 0 H ALA A 40 -16.789 32.679 13.016 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.706 31.715 14.820 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.247 29.777 15.039 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.092 31.316 15.328 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.289 30.471 13.774 1.00 0.00 H new ATOM 595 N ALA A 41 -15.426 30.011 12.072 1.00 0.00 N ATOM 596 CA ALA A 41 -14.842 29.154 11.047 1.00 0.00 C ATOM 597 C ALA A 41 -13.636 29.832 10.404 1.00 0.00 C ATOM 598 O ALA A 41 -12.858 29.194 9.696 1.00 0.00 O ATOM 599 CB ALA A 41 -15.885 28.840 9.973 1.00 0.00 C ATOM 0 H ALA A 41 -16.439 30.116 12.013 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.515 28.227 11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.441 28.199 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -16.733 28.328 10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -16.225 29.768 9.514 1.00 0.00 H new ATOM 605 N TYR A 42 -13.488 31.128 10.657 1.00 0.00 N ATOM 606 CA TYR A 42 -12.375 31.883 10.095 1.00 0.00 C ATOM 607 C TYR A 42 -11.147 31.777 10.995 1.00 0.00 C ATOM 608 O TYR A 42 -10.048 31.481 10.529 1.00 0.00 O ATOM 609 CB TYR A 42 -12.767 33.353 9.935 1.00 0.00 C ATOM 610 CG TYR A 42 -11.800 34.034 8.997 1.00 0.00 C ATOM 611 CD1 TYR A 42 -11.996 33.956 7.613 1.00 0.00 C ATOM 612 CD2 TYR A 42 -10.708 34.744 9.511 1.00 0.00 C ATOM 613 CE1 TYR A 42 -11.099 34.587 6.742 1.00 0.00 C ATOM 614 CE2 TYR A 42 -9.813 35.376 8.641 1.00 0.00 C ATOM 615 CZ TYR A 42 -10.007 35.297 7.256 1.00 0.00 C ATOM 616 OH TYR A 42 -9.124 35.920 6.398 1.00 0.00 O ATOM 0 H TYR A 42 -14.120 31.674 11.243 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.134 31.464 9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.782 33.429 9.546 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.760 33.850 10.905 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.839 33.409 7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.557 34.804 10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.249 34.526 5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.972 35.925 9.038 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.425 36.369 6.918 1.00 0.00 H new ATOM 626 N ALA A 43 -11.344 32.022 12.286 1.00 0.00 N ATOM 627 CA ALA A 43 -10.246 31.950 13.242 1.00 0.00 C ATOM 628 C ALA A 43 -9.740 30.517 13.372 1.00 0.00 C ATOM 629 O ALA A 43 -8.544 30.283 13.537 1.00 0.00 O ATOM 630 CB ALA A 43 -10.710 32.455 14.610 1.00 0.00 C ATOM 0 H ALA A 43 -12.246 32.270 12.692 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.433 32.579 12.879 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.884 32.398 15.318 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.042 33.490 14.522 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.535 31.838 14.965 1.00 0.00 H new ATOM 636 N PHE A 44 -10.661 29.562 13.299 1.00 0.00 N ATOM 637 CA PHE A 44 -10.299 28.154 13.422 1.00 0.00 C ATOM 638 C PHE A 44 -9.058 27.845 12.592 1.00 0.00 C ATOM 639 O PHE A 44 -8.187 27.086 13.018 1.00 0.00 O ATOM 640 CB PHE A 44 -11.459 27.274 12.955 1.00 0.00 C ATOM 641 CG PHE A 44 -12.395 27.018 14.112 1.00 0.00 C ATOM 642 CD1 PHE A 44 -12.839 28.086 14.902 1.00 0.00 C ATOM 643 CD2 PHE A 44 -12.821 25.714 14.395 1.00 0.00 C ATOM 644 CE1 PHE A 44 -13.707 27.850 15.975 1.00 0.00 C ATOM 645 CE2 PHE A 44 -13.689 25.479 15.468 1.00 0.00 C ATOM 646 CZ PHE A 44 -14.132 26.546 16.257 1.00 0.00 C ATOM 0 H PHE A 44 -11.656 29.735 13.156 1.00 0.00 H new ATOM 0 HA PHE A 44 -10.083 27.944 14.470 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.995 27.762 12.141 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.079 26.330 12.565 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.512 29.092 14.683 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.480 24.890 13.786 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.049 28.673 16.585 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.017 24.473 15.687 1.00 0.00 H new ATOM 0 HZ PHE A 44 -14.802 26.364 17.084 1.00 0.00 H new ATOM 656 N TYR A 45 -8.983 28.438 11.405 1.00 0.00 N ATOM 657 CA TYR A 45 -7.839 28.224 10.526 1.00 0.00 C ATOM 658 C TYR A 45 -6.533 28.413 11.289 1.00 0.00 C ATOM 659 O TYR A 45 -5.456 28.094 10.786 1.00 0.00 O ATOM 660 CB TYR A 45 -7.893 29.204 9.352 1.00 0.00 C ATOM 661 CG TYR A 45 -8.791 28.649 8.273 1.00 0.00 C ATOM 662 CD1 TYR A 45 -8.345 27.603 7.458 1.00 0.00 C ATOM 663 CD2 TYR A 45 -10.073 29.182 8.088 1.00 0.00 C ATOM 664 CE1 TYR A 45 -9.178 27.088 6.458 1.00 0.00 C ATOM 665 CE2 TYR A 45 -10.907 28.668 7.088 1.00 0.00 C ATOM 666 CZ TYR A 45 -10.460 27.621 6.272 1.00 0.00 C ATOM 667 OH TYR A 45 -11.281 27.114 5.287 1.00 0.00 O ATOM 0 H TYR A 45 -9.695 29.066 11.032 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.881 27.202 10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.266 30.171 9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.891 29.369 8.956 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.356 27.192 7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.418 29.989 8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.832 26.280 5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.896 29.079 6.946 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.135 27.595 5.293 1.00 0.00 H new ATOM 677 N GLY A 46 -6.636 28.934 12.509 1.00 0.00 N ATOM 678 CA GLY A 46 -5.455 29.168 13.331 1.00 0.00 C ATOM 679 C GLY A 46 -4.745 27.858 13.650 1.00 0.00 C ATOM 680 O GLY A 46 -3.516 27.808 13.726 1.00 0.00 O ATOM 0 H GLY A 46 -7.518 29.200 12.946 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.772 29.839 12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.744 29.664 14.257 1.00 0.00 H new ATOM 684 N VAL A 47 -5.524 26.797 13.836 1.00 0.00 N ATOM 685 CA VAL A 47 -4.959 25.493 14.160 1.00 0.00 C ATOM 686 C VAL A 47 -5.827 24.376 13.590 1.00 0.00 C ATOM 687 O VAL A 47 -5.806 23.247 14.081 1.00 0.00 O ATOM 688 CB VAL A 47 -4.851 25.333 15.677 1.00 0.00 C ATOM 689 CG1 VAL A 47 -3.765 26.269 16.213 1.00 0.00 C ATOM 690 CG2 VAL A 47 -6.191 25.686 16.323 1.00 0.00 C ATOM 0 H VAL A 47 -6.542 26.814 13.768 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.966 25.428 13.716 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.592 24.301 15.916 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.688 26.155 17.294 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.809 26.019 15.753 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.024 27.301 15.974 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.115 25.572 17.404 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.450 26.718 16.084 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.965 25.020 15.942 1.00 0.00 H new ATOM 700 N TRP A 48 -6.588 24.698 12.550 1.00 0.00 N ATOM 701 CA TRP A 48 -7.456 23.711 11.915 1.00 0.00 C ATOM 702 C TRP A 48 -6.657 22.835 10.956 1.00 0.00 C ATOM 703 O TRP A 48 -6.834 21.618 10.916 1.00 0.00 O ATOM 704 CB TRP A 48 -8.578 24.417 11.152 1.00 0.00 C ATOM 705 CG TRP A 48 -9.891 23.802 11.517 1.00 0.00 C ATOM 706 CD1 TRP A 48 -10.305 23.546 12.778 1.00 0.00 C ATOM 707 CD2 TRP A 48 -10.965 23.362 10.635 1.00 0.00 C ATOM 708 NE1 TRP A 48 -11.565 22.977 12.728 1.00 0.00 N ATOM 709 CE2 TRP A 48 -12.015 22.842 11.430 1.00 0.00 C ATOM 710 CE3 TRP A 48 -11.129 23.362 9.238 1.00 0.00 C ATOM 711 CZ2 TRP A 48 -13.185 22.342 10.859 1.00 0.00 C ATOM 712 CZ3 TRP A 48 -12.306 22.859 8.660 1.00 0.00 C ATOM 713 CH2 TRP A 48 -13.332 22.350 9.468 1.00 0.00 C ATOM 0 H TRP A 48 -6.622 25.627 12.131 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.888 23.080 12.692 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.583 25.480 11.392 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -8.411 24.333 10.078 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.744 23.752 13.678 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.097 22.692 13.550 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -10.345 23.751 8.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.972 21.951 11.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -12.421 22.864 7.586 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -14.235 21.965 9.017 1.00 0.00 H new ATOM 724 N PRO A 49 -5.788 23.435 10.189 1.00 0.00 N ATOM 725 CA PRO A 49 -4.930 22.703 9.214 1.00 0.00 C ATOM 726 C PRO A 49 -3.903 21.812 9.906 1.00 0.00 C ATOM 727 O PRO A 49 -3.304 20.936 9.282 1.00 0.00 O ATOM 728 CB PRO A 49 -4.242 23.820 8.426 1.00 0.00 C ATOM 729 CG PRO A 49 -4.980 25.070 8.779 1.00 0.00 C ATOM 730 CD PRO A 49 -5.530 24.882 10.171 1.00 0.00 C ATOM 0 HA PRO A 49 -5.510 22.028 8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.188 23.897 8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.285 23.628 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.316 25.933 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.785 25.256 8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.816 25.181 10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.437 25.463 10.336 1.00 0.00 H new ATOM 738 N LEU A 50 -3.705 22.041 11.200 1.00 0.00 N ATOM 739 CA LEU A 50 -2.733 21.267 11.963 1.00 0.00 C ATOM 740 C LEU A 50 -3.120 19.791 11.981 1.00 0.00 C ATOM 741 O LEU A 50 -2.257 18.913 11.983 1.00 0.00 O ATOM 742 CB LEU A 50 -2.657 21.793 13.398 1.00 0.00 C ATOM 743 CG LEU A 50 -1.199 21.797 13.863 1.00 0.00 C ATOM 744 CD1 LEU A 50 -0.613 20.392 13.719 1.00 0.00 C ATOM 745 CD2 LEU A 50 -0.394 22.775 13.004 1.00 0.00 C ATOM 0 H LEU A 50 -4.201 22.751 11.739 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.758 21.371 11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.069 22.801 13.450 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.259 21.168 14.058 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.152 22.105 14.908 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.425 20.395 14.050 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.186 19.694 14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.660 20.084 12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.645 22.779 13.334 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.442 22.467 11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.811 23.777 13.106 1.00 0.00 H new ATOM 757 N LEU A 51 -4.422 19.525 11.994 1.00 0.00 N ATOM 758 CA LEU A 51 -4.911 18.152 12.026 1.00 0.00 C ATOM 759 C LEU A 51 -4.461 17.393 10.783 1.00 0.00 C ATOM 760 O LEU A 51 -4.650 16.181 10.679 1.00 0.00 O ATOM 761 CB LEU A 51 -6.438 18.142 12.107 1.00 0.00 C ATOM 762 CG LEU A 51 -6.912 16.802 12.671 1.00 0.00 C ATOM 763 CD1 LEU A 51 -6.955 16.877 14.199 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.312 16.492 12.138 1.00 0.00 C ATOM 0 H LEU A 51 -5.153 20.237 11.983 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.498 17.661 12.907 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.784 18.958 12.741 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.866 18.304 11.118 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.223 16.015 12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.293 15.922 14.601 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.958 17.099 14.581 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.644 17.664 14.505 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.651 15.537 12.539 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.001 17.279 12.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.283 16.439 11.050 1.00 0.00 H new ATOM 776 N LEU A 52 -3.863 18.114 9.839 1.00 0.00 N ATOM 777 CA LEU A 52 -3.406 17.502 8.597 1.00 0.00 C ATOM 778 C LEU A 52 -2.329 16.459 8.877 1.00 0.00 C ATOM 779 O LEU A 52 -2.403 15.330 8.392 1.00 0.00 O ATOM 780 CB LEU A 52 -2.849 18.575 7.659 1.00 0.00 C ATOM 781 CG LEU A 52 -4.005 19.363 7.040 1.00 0.00 C ATOM 782 CD1 LEU A 52 -3.458 20.605 6.335 1.00 0.00 C ATOM 783 CD2 LEU A 52 -4.735 18.480 6.025 1.00 0.00 C ATOM 0 H LEU A 52 -3.685 19.116 9.910 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.256 17.011 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.190 19.247 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.250 18.112 6.875 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.698 19.668 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.282 21.166 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.937 21.233 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.765 20.302 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.559 19.039 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.041 18.176 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.125 17.595 6.527 1.00 0.00 H new ATOM 795 N LEU A 53 -1.329 16.846 9.663 1.00 0.00 N ATOM 796 CA LEU A 53 -0.231 15.942 9.983 1.00 0.00 C ATOM 797 C LEU A 53 -0.593 15.059 11.173 1.00 0.00 C ATOM 798 O LEU A 53 0.073 14.059 11.443 1.00 0.00 O ATOM 799 CB LEU A 53 1.030 16.747 10.308 1.00 0.00 C ATOM 800 CG LEU A 53 0.657 18.214 10.526 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.774 18.916 11.301 1.00 0.00 C ATOM 802 CD2 LEU A 53 0.471 18.899 9.170 1.00 0.00 C ATOM 0 H LEU A 53 -1.257 17.771 10.087 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.044 15.307 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.510 16.346 11.201 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.749 16.661 9.494 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.271 18.272 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.508 19.962 11.456 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.909 18.429 12.267 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.703 18.859 10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.205 19.945 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.400 18.841 8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.324 18.400 8.616 1.00 0.00 H new ATOM 814 N LEU A 54 -1.652 15.435 11.882 1.00 0.00 N ATOM 815 CA LEU A 54 -2.093 14.671 13.043 1.00 0.00 C ATOM 816 C LEU A 54 -2.835 13.412 12.606 1.00 0.00 C ATOM 817 O LEU A 54 -2.444 12.298 12.952 1.00 0.00 O ATOM 818 CB LEU A 54 -3.010 15.529 13.916 1.00 0.00 C ATOM 819 CG LEU A 54 -2.900 15.076 15.373 1.00 0.00 C ATOM 820 CD1 LEU A 54 -3.185 13.576 15.464 1.00 0.00 C ATOM 821 CD2 LEU A 54 -1.486 15.358 15.887 1.00 0.00 C ATOM 0 H LEU A 54 -2.217 16.258 11.675 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.214 14.380 13.617 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.733 16.580 13.829 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.041 15.442 13.574 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.624 15.620 15.979 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.107 13.253 16.502 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.191 13.374 15.096 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.461 13.031 14.859 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.405 15.036 16.925 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.763 14.813 15.281 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.282 16.427 15.822 1.00 0.00 H new ATOM 833 N LEU A 55 -3.908 13.598 11.843 1.00 0.00 N ATOM 834 CA LEU A 55 -4.712 12.471 11.386 1.00 0.00 C ATOM 835 C LEU A 55 -4.007 11.733 10.252 1.00 0.00 C ATOM 836 O LEU A 55 -4.044 10.505 10.181 1.00 0.00 O ATOM 837 CB LEU A 55 -6.077 12.966 10.902 1.00 0.00 C ATOM 838 CG LEU A 55 -7.143 11.916 11.222 1.00 0.00 C ATOM 839 CD1 LEU A 55 -6.728 10.570 10.630 1.00 0.00 C ATOM 840 CD2 LEU A 55 -7.286 11.783 12.740 1.00 0.00 C ATOM 0 H LEU A 55 -4.238 14.511 11.531 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.848 11.785 12.222 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.325 13.911 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.048 13.155 9.829 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.096 12.223 10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.488 9.822 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.625 10.664 9.549 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.775 10.262 11.060 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.045 11.035 12.970 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.332 11.476 13.170 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.582 12.743 13.163 1.00 0.00 H new ATOM 852 N ALA A 56 -3.363 12.490 9.370 1.00 0.00 N ATOM 853 CA ALA A 56 -2.693 11.901 8.217 1.00 0.00 C ATOM 854 C ALA A 56 -2.115 10.535 8.573 1.00 0.00 C ATOM 855 O ALA A 56 -2.370 9.544 7.889 1.00 0.00 O ATOM 856 CB ALA A 56 -1.571 12.823 7.737 1.00 0.00 C ATOM 0 H ALA A 56 -3.291 13.506 9.431 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.426 11.776 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.076 12.375 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.990 13.789 7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.847 12.963 8.539 1.00 0.00 H new ATOM 862 N LEU A 57 -1.335 10.491 9.649 1.00 0.00 N ATOM 863 CA LEU A 57 -0.743 9.237 10.100 1.00 0.00 C ATOM 864 C LEU A 57 -1.358 8.801 11.425 1.00 0.00 C ATOM 865 O LEU A 57 -1.869 9.623 12.186 1.00 0.00 O ATOM 866 CB LEU A 57 0.769 9.403 10.266 1.00 0.00 C ATOM 867 CG LEU A 57 1.077 10.820 10.751 1.00 0.00 C ATOM 868 CD1 LEU A 57 0.775 11.820 9.633 1.00 0.00 C ATOM 869 CD2 LEU A 57 0.207 11.142 11.968 1.00 0.00 C ATOM 0 H LEU A 57 -1.100 11.302 10.221 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.944 8.472 9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.149 8.672 10.980 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.272 9.214 9.318 1.00 0.00 H new ATOM 0 HG LEU A 57 2.130 10.888 11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.995 12.830 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.392 11.592 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.278 11.752 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.426 12.152 12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.845 11.073 11.692 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.420 10.431 12.766 1.00 0.00 H new ATOM 881 N PRO A 58 -1.314 7.528 11.708 1.00 0.00 N ATOM 882 CA PRO A 58 -1.844 6.964 12.983 1.00 0.00 C ATOM 883 C PRO A 58 -0.886 7.185 14.152 1.00 0.00 C ATOM 884 O PRO A 58 0.290 7.487 13.955 1.00 0.00 O ATOM 885 CB PRO A 58 -2.004 5.473 12.682 1.00 0.00 C ATOM 886 CG PRO A 58 -0.992 5.169 11.627 1.00 0.00 C ATOM 887 CD PRO A 58 -0.751 6.484 10.838 1.00 0.00 C ATOM 0 HA PRO A 58 -2.775 7.443 13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.833 4.872 13.575 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.013 5.249 12.335 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.064 4.812 12.074 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.350 4.382 10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.310 6.649 10.651 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.246 6.464 9.867 1.00 0.00 H new ATOM 895 N PRO A 59 -1.375 7.039 15.353 1.00 0.00 N ATOM 896 CA PRO A 59 -0.551 7.204 16.585 1.00 0.00 C ATOM 897 C PRO A 59 0.768 6.440 16.501 1.00 0.00 C ATOM 898 O PRO A 59 1.818 6.949 16.896 1.00 0.00 O ATOM 899 CB PRO A 59 -1.440 6.638 17.694 1.00 0.00 C ATOM 900 CG PRO A 59 -2.840 6.787 17.197 1.00 0.00 C ATOM 901 CD PRO A 59 -2.771 6.700 15.666 1.00 0.00 C ATOM 0 HA PRO A 59 -0.266 8.243 16.750 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.203 5.593 17.892 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.295 7.180 18.628 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.481 6.003 17.602 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.264 7.740 17.513 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.029 5.702 15.311 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.466 7.395 15.195 1.00 0.00 H new ATOM 909 N ARG A 60 0.707 5.218 15.984 1.00 0.00 N ATOM 910 CA ARG A 60 1.904 4.399 15.840 1.00 0.00 C ATOM 911 C ARG A 60 2.836 4.990 14.786 1.00 0.00 C ATOM 912 O ARG A 60 3.404 4.266 13.969 1.00 0.00 O ATOM 913 CB ARG A 60 1.518 2.973 15.440 1.00 0.00 C ATOM 914 CG ARG A 60 0.493 2.424 16.433 1.00 0.00 C ATOM 915 CD ARG A 60 0.008 1.052 15.961 1.00 0.00 C ATOM 916 NE ARG A 60 -1.021 0.543 16.861 1.00 0.00 N ATOM 917 CZ ARG A 60 -1.854 -0.419 16.478 1.00 0.00 C ATOM 918 NH1 ARG A 60 -1.760 -0.925 15.278 1.00 0.00 N ATOM 919 NH2 ARG A 60 -2.766 -0.858 17.301 1.00 0.00 N ATOM 0 H ARG A 60 -0.153 4.775 15.660 1.00 0.00 H new ATOM 0 HA ARG A 60 2.424 4.379 16.798 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.103 2.966 14.432 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.403 2.336 15.425 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.939 2.342 17.424 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.350 3.110 16.518 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.389 1.127 14.949 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.846 0.355 15.924 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.103 0.932 17.800 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.047 -0.582 14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.399 -1.663 14.984 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.840 -0.463 18.238 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.405 -1.596 17.007 1.00 0.00 H new ATOM 933 N ALA A 61 2.987 6.310 14.812 1.00 0.00 N ATOM 934 CA ALA A 61 3.847 6.989 13.850 1.00 0.00 C ATOM 935 C ALA A 61 4.903 7.823 14.569 1.00 0.00 C ATOM 936 O ALA A 61 4.589 8.593 15.475 1.00 0.00 O ATOM 937 CB ALA A 61 3.007 7.896 12.948 1.00 0.00 C ATOM 0 H ALA A 61 2.529 6.927 15.483 1.00 0.00 H new ATOM 0 HA ALA A 61 4.347 6.234 13.243 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.657 8.400 12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.272 7.296 12.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.493 8.640 13.557 1.00 0.00 H new ATOM 943 N TYR A 62 6.156 7.661 14.158 1.00 0.00 N ATOM 944 CA TYR A 62 7.251 8.406 14.770 1.00 0.00 C ATOM 945 C TYR A 62 7.150 9.887 14.425 1.00 0.00 C ATOM 946 O TYR A 62 7.945 10.700 14.898 1.00 0.00 O ATOM 947 CB TYR A 62 8.593 7.856 14.280 1.00 0.00 C ATOM 948 CG TYR A 62 8.684 8.011 12.781 1.00 0.00 C ATOM 949 CD1 TYR A 62 8.222 6.991 11.942 1.00 0.00 C ATOM 950 CD2 TYR A 62 9.232 9.176 12.231 1.00 0.00 C ATOM 951 CE1 TYR A 62 8.307 7.134 10.552 1.00 0.00 C ATOM 952 CE2 TYR A 62 9.316 9.320 10.840 1.00 0.00 C ATOM 953 CZ TYR A 62 8.854 8.299 10.001 1.00 0.00 C ATOM 954 OH TYR A 62 8.938 8.441 8.631 1.00 0.00 O ATOM 0 H TYR A 62 6.438 7.027 13.411 1.00 0.00 H new ATOM 0 HA TYR A 62 7.184 8.292 15.852 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.414 8.388 14.762 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.689 6.805 14.554 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.799 6.093 12.367 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.590 9.963 12.878 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.951 6.346 9.905 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.737 10.219 10.415 1.00 0.00 H new ATOM 0 HH TYR A 62 9.341 9.308 8.416 1.00 0.00 H new ATOM 964 N ALA A 63 6.168 10.233 13.599 1.00 0.00 N ATOM 965 CA ALA A 63 5.972 11.621 13.198 1.00 0.00 C ATOM 966 C ALA A 63 5.595 12.478 14.402 1.00 0.00 C ATOM 967 O ALA A 63 5.850 12.048 15.514 1.00 0.00 O ATOM 968 CB ALA A 63 4.870 11.708 12.141 1.00 0.00 C ATOM 969 OXT ALA A 63 5.056 13.553 14.192 1.00 0.00 O ATOM 0 H ALA A 63 5.500 9.576 13.197 1.00 0.00 H new ATOM 0 HA ALA A 63 6.906 11.995 12.779 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.730 12.748 11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.155 11.119 11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.939 11.319 12.553 1.00 0.00 H new TER 975 ALA A 63