USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot -60:sc= 1.22 USER MOD Set 1.2: A 101 MET CE :methyl -175:sc= 0 (180deg=-0.0508) USER MOD Single : A 5 TYR OH : rot 11:sc= 0.985 USER MOD Single : A 6 TYR OH : rot -61:sc= 0.561 USER MOD Single : A 7 GLN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : A 8 THR OG1 : rot -2:sc= 0.972 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0647 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 150:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0678 K(o=-0.068,f=-4.2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.205 K(o=0.2,f=-7.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 1.09 (180deg=1.09) USER MOD Single : A 52 TYR OH : rot 178:sc= 0.0975 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= -0.101 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 6.733 2.919 -3.648 1.00 0.00 N ATOM 50 CA ASP A 4 7.143 4.186 -4.245 1.00 0.00 C ATOM 51 C ASP A 4 7.593 3.995 -5.687 1.00 0.00 C ATOM 52 O ASP A 4 8.573 3.301 -5.955 1.00 0.00 O ATOM 53 CB ASP A 4 8.273 4.821 -3.431 1.00 0.00 C ATOM 54 CG ASP A 4 8.653 6.209 -3.929 1.00 0.00 C ATOM 55 OD1 ASP A 4 8.288 6.544 -5.031 1.00 0.00 O ATOM 56 OD2 ASP A 4 9.305 6.921 -3.203 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.279 4.850 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.970 4.886 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.149 4.174 -3.469 1.00 0.00 H new ATOM 61 N TYR A 5 6.870 4.615 -6.613 1.00 0.00 N ATOM 62 CA TYR A 5 7.156 4.465 -8.035 1.00 0.00 C ATOM 63 C TYR A 5 8.594 4.856 -8.350 1.00 0.00 C ATOM 64 O TYR A 5 9.252 4.226 -9.179 1.00 0.00 O ATOM 65 CB TYR A 5 6.184 5.304 -8.868 1.00 0.00 C ATOM 66 CG TYR A 5 4.764 4.783 -8.855 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.423 3.717 -8.037 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.802 5.372 -9.663 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.127 3.242 -8.025 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.505 4.897 -9.651 1.00 0.00 C ATOM 71 CZ TYR A 5 2.167 3.837 -8.836 1.00 0.00 C ATOM 72 OH TYR A 5 0.875 3.363 -8.824 1.00 0.00 O ATOM 0 H TYR A 5 6.081 5.227 -6.404 1.00 0.00 H new ATOM 0 HA TYR A 5 7.025 3.414 -8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.189 6.328 -8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.539 5.339 -9.898 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.172 3.258 -7.409 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.067 6.202 -10.301 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.860 2.412 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.756 5.355 -10.280 1.00 0.00 H new ATOM 0 HH TYR A 5 0.765 2.732 -8.082 1.00 0.00 H new ATOM 82 N TYR A 6 9.078 5.900 -7.686 1.00 0.00 N ATOM 83 CA TYR A 6 10.385 6.468 -7.996 1.00 0.00 C ATOM 84 C TYR A 6 11.509 5.580 -7.478 1.00 0.00 C ATOM 85 O TYR A 6 12.565 5.470 -8.101 1.00 0.00 O ATOM 86 CB TYR A 6 10.509 7.877 -7.412 1.00 0.00 C ATOM 87 CG TYR A 6 9.406 8.816 -7.846 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.574 9.393 -6.897 1.00 0.00 C ATOM 89 CD2 TYR A 6 9.224 9.100 -9.191 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.566 10.252 -7.293 1.00 0.00 C ATOM 91 CE2 TYR A 6 8.217 9.958 -9.586 1.00 0.00 C ATOM 92 CZ TYR A 6 7.390 10.533 -8.643 1.00 0.00 C ATOM 93 OH TYR A 6 6.386 11.388 -9.037 1.00 0.00 O ATOM 0 H TYR A 6 8.584 6.371 -6.928 1.00 0.00 H new ATOM 0 HA TYR A 6 10.475 6.528 -9.081 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.510 7.811 -6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.470 8.299 -7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.714 9.171 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.870 8.650 -9.930 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.918 10.703 -6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.077 10.179 -10.634 1.00 0.00 H new ATOM 0 HH TYR A 6 5.519 11.023 -8.762 1.00 0.00 H new ATOM 103 N GLN A 7 11.275 4.948 -6.332 1.00 0.00 N ATOM 104 CA GLN A 7 12.237 4.010 -5.765 1.00 0.00 C ATOM 105 C GLN A 7 12.258 2.702 -6.547 1.00 0.00 C ATOM 106 O GLN A 7 13.191 1.909 -6.423 1.00 0.00 O ATOM 107 CB GLN A 7 11.914 3.734 -4.294 1.00 0.00 C ATOM 108 CG GLN A 7 12.122 4.927 -3.377 1.00 0.00 C ATOM 109 CD GLN A 7 11.822 4.602 -1.927 1.00 0.00 C ATOM 110 OE1 GLN A 7 12.392 3.669 -1.354 1.00 0.00 O ATOM 111 NE2 GLN A 7 10.923 5.371 -1.323 1.00 0.00 N ATOM 0 H GLN A 7 10.427 5.069 -5.778 1.00 0.00 H new ATOM 0 HA GLN A 7 13.225 4.466 -5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.877 3.407 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.536 2.909 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.152 5.273 -3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.482 5.747 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.476 6.132 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.680 5.201 -0.347 1.00 0.00 H new ATOM 120 N THR A 8 11.224 2.483 -7.352 1.00 0.00 N ATOM 121 CA THR A 8 11.160 1.310 -8.215 1.00 0.00 C ATOM 122 C THR A 8 11.644 1.635 -9.623 1.00 0.00 C ATOM 123 O THR A 8 12.149 0.764 -10.332 1.00 0.00 O ATOM 124 CB THR A 8 9.729 0.745 -8.277 1.00 0.00 C ATOM 125 OG1 THR A 8 8.837 1.750 -8.777 1.00 0.00 O ATOM 126 CG2 THR A 8 9.269 0.305 -6.896 1.00 0.00 C ATOM 0 H THR A 8 10.418 3.104 -7.425 1.00 0.00 H new ATOM 0 HA THR A 8 11.818 0.556 -7.784 1.00 0.00 H new ATOM 0 HB THR A 8 9.724 -0.119 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.334 2.580 -8.934 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.256 -0.092 -6.959 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.938 -0.468 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.283 1.159 -6.219 1.00 0.00 H new ATOM 134 N LEU A 9 11.487 2.893 -10.022 1.00 0.00 N ATOM 135 CA LEU A 9 12.010 3.362 -11.299 1.00 0.00 C ATOM 136 C LEU A 9 13.507 3.625 -11.217 1.00 0.00 C ATOM 137 O LEU A 9 14.275 3.164 -12.062 1.00 0.00 O ATOM 138 CB LEU A 9 11.282 4.641 -11.731 1.00 0.00 C ATOM 139 CG LEU A 9 11.727 5.238 -13.072 1.00 0.00 C ATOM 140 CD1 LEU A 9 11.503 4.218 -14.181 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.948 6.517 -13.342 1.00 0.00 C ATOM 0 H LEU A 9 11.001 3.606 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 9 11.839 2.580 -12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.214 4.429 -11.785 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.418 5.395 -10.955 1.00 0.00 H new ATOM 0 HG LEU A 9 12.789 5.482 -13.037 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.819 4.642 -15.134 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.085 3.320 -13.972 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.445 3.961 -14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.264 6.941 -14.295 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.882 6.293 -13.381 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.139 7.235 -12.544 1.00 0.00 H new ATOM 153 N GLY A 10 13.918 4.369 -10.197 1.00 0.00 N ATOM 154 CA GLY A 10 15.334 4.621 -9.952 1.00 0.00 C ATOM 155 C GLY A 10 15.647 6.111 -10.024 1.00 0.00 C ATOM 156 O GLY A 10 16.757 6.504 -10.384 1.00 0.00 O ATOM 0 H GLY A 10 13.290 4.809 -9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.611 4.235 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.934 4.084 -10.686 1.00 0.00 H new ATOM 160 N LEU A 11 14.664 6.934 -9.677 1.00 0.00 N ATOM 161 CA LEU A 11 14.838 8.382 -9.690 1.00 0.00 C ATOM 162 C LEU A 11 14.406 9.000 -8.365 1.00 0.00 C ATOM 163 O LEU A 11 13.815 8.328 -7.520 1.00 0.00 O ATOM 164 CB LEU A 11 14.034 9.004 -10.838 1.00 0.00 C ATOM 165 CG LEU A 11 14.501 8.636 -12.252 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.535 9.221 -13.274 1.00 0.00 C ATOM 167 CD2 LEU A 11 15.912 9.157 -12.472 1.00 0.00 C ATOM 0 H LEU A 11 13.738 6.623 -9.383 1.00 0.00 H new ATOM 0 HA LEU A 11 15.898 8.590 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.991 8.706 -10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.067 10.089 -10.735 1.00 0.00 H new ATOM 0 HG LEU A 11 14.513 7.553 -12.371 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.866 8.960 -14.279 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.537 8.817 -13.104 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.509 10.306 -13.171 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.244 8.895 -13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.922 10.241 -12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.584 8.709 -11.740 1.00 0.00 H new ATOM 179 N ALA A 12 14.702 10.283 -8.192 1.00 0.00 N ATOM 180 CA ALA A 12 14.111 11.068 -7.114 1.00 0.00 C ATOM 181 C ALA A 12 12.705 11.528 -7.477 1.00 0.00 C ATOM 182 O ALA A 12 12.344 11.588 -8.652 1.00 0.00 O ATOM 183 CB ALA A 12 14.992 12.264 -6.785 1.00 0.00 C ATOM 0 H ALA A 12 15.349 10.803 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 12 14.040 10.431 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.538 12.840 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.976 11.916 -6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.094 12.895 -7.668 1.00 0.00 H new ATOM 189 N ARG A 13 11.915 11.855 -6.460 1.00 0.00 N ATOM 190 CA ARG A 13 10.537 12.285 -6.668 1.00 0.00 C ATOM 191 C ARG A 13 10.481 13.620 -7.398 1.00 0.00 C ATOM 192 O ARG A 13 9.425 14.030 -7.881 1.00 0.00 O ATOM 193 CB ARG A 13 9.808 12.405 -5.338 1.00 0.00 C ATOM 194 CG ARG A 13 10.302 13.527 -4.437 1.00 0.00 C ATOM 195 CD ARG A 13 9.613 13.519 -3.122 1.00 0.00 C ATOM 196 NE ARG A 13 10.053 14.613 -2.271 1.00 0.00 N ATOM 197 CZ ARG A 13 11.143 14.576 -1.479 1.00 0.00 C ATOM 198 NH1 ARG A 13 11.889 13.495 -1.440 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 11.459 15.626 -0.742 1.00 0.00 N ATOM 0 H ARG A 13 12.206 11.830 -5.483 1.00 0.00 H new ATOM 0 HA ARG A 13 10.047 11.530 -7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.747 12.557 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.901 11.460 -4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.377 13.426 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.138 14.486 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.536 13.590 -3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.801 12.570 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 13 9.498 15.469 -2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.643 12.685 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.714 13.466 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.878 16.464 -0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.284 15.599 -0.142 1.00 0.00 H new ATOM 213 N GLY A 14 11.622 14.295 -7.475 1.00 0.00 N ATOM 214 CA GLY A 14 11.693 15.612 -8.096 1.00 0.00 C ATOM 215 C GLY A 14 12.464 15.563 -9.409 1.00 0.00 C ATOM 216 O GLY A 14 12.965 16.582 -9.884 1.00 0.00 O ATOM 0 H GLY A 14 12.512 13.951 -7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.685 15.986 -8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.175 16.313 -7.414 1.00 0.00 H new ATOM 220 N ALA A 15 12.554 14.372 -9.991 1.00 0.00 N ATOM 221 CA ALA A 15 13.275 14.185 -11.245 1.00 0.00 C ATOM 222 C ALA A 15 12.582 14.908 -12.392 1.00 0.00 C ATOM 223 O ALA A 15 11.470 15.414 -12.239 1.00 0.00 O ATOM 224 CB ALA A 15 13.414 12.703 -11.561 1.00 0.00 C ATOM 0 H ALA A 15 12.136 13.521 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 15 14.270 14.615 -11.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.954 12.580 -12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.963 12.210 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.424 12.256 -11.651 1.00 0.00 H new ATOM 230 N SER A 16 13.245 14.954 -13.543 1.00 0.00 N ATOM 231 CA SER A 16 12.740 15.699 -14.690 1.00 0.00 C ATOM 232 C SER A 16 12.123 14.766 -15.724 1.00 0.00 C ATOM 233 O SER A 16 12.391 13.564 -15.728 1.00 0.00 O ATOM 234 CB SER A 16 13.857 16.504 -15.324 1.00 0.00 C ATOM 235 OG SER A 16 14.801 15.663 -15.929 1.00 0.00 O ATOM 0 H SER A 16 14.135 14.483 -13.706 1.00 0.00 H new ATOM 0 HA SER A 16 11.964 16.377 -14.335 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.443 17.185 -16.067 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.344 17.117 -14.566 1.00 0.00 H new ATOM 0 HG SER A 16 15.511 16.205 -16.333 1.00 0.00 H new ATOM 241 N ASP A 17 11.298 15.326 -16.602 1.00 0.00 N ATOM 242 CA ASP A 17 10.650 14.547 -17.650 1.00 0.00 C ATOM 243 C ASP A 17 11.676 13.818 -18.508 1.00 0.00 C ATOM 244 O ASP A 17 11.475 12.663 -18.884 1.00 0.00 O ATOM 245 CB ASP A 17 9.787 15.450 -18.534 1.00 0.00 C ATOM 246 CG ASP A 17 8.539 15.957 -17.824 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.214 15.430 -16.786 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.921 16.866 -18.326 1.00 0.00 O1- ATOM 0 H ASP A 17 11.062 16.318 -16.608 1.00 0.00 H new ATOM 0 HA ASP A 17 10.014 13.806 -17.166 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.382 16.301 -18.865 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.492 14.900 -19.428 1.00 0.00 H new ATOM 253 N GLU A 18 12.776 14.498 -18.812 1.00 0.00 N ATOM 254 CA GLU A 18 13.840 13.911 -19.618 1.00 0.00 C ATOM 255 C GLU A 18 14.470 12.716 -18.915 1.00 0.00 C ATOM 256 O GLU A 18 14.674 11.664 -19.521 1.00 0.00 O ATOM 257 CB GLU A 18 14.914 14.958 -19.926 1.00 0.00 C ATOM 258 CG GLU A 18 16.049 14.453 -20.806 1.00 0.00 C ATOM 259 CD GLU A 18 17.051 15.524 -21.138 1.00 0.00 C ATOM 260 OE1 GLU A 18 16.875 16.634 -20.696 1.00 0.00 O ATOM 261 OE2 GLU A 18 17.993 15.232 -21.836 1.00 0.00 O1- ATOM 0 H GLU A 18 12.954 15.457 -18.512 1.00 0.00 H new ATOM 0 HA GLU A 18 13.397 13.565 -20.552 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.443 15.811 -20.415 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.332 15.320 -18.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.556 13.631 -20.300 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.634 14.051 -21.730 1.00 0.00 H new ATOM 268 N GLU A 19 14.774 12.884 -17.632 1.00 0.00 N ATOM 269 CA GLU A 19 15.384 11.819 -16.845 1.00 0.00 C ATOM 270 C GLU A 19 14.413 10.665 -16.632 1.00 0.00 C ATOM 271 O GLU A 19 14.815 9.502 -16.588 1.00 0.00 O ATOM 272 CB GLU A 19 15.855 12.359 -15.492 1.00 0.00 C ATOM 273 CG GLU A 19 17.072 13.268 -15.568 1.00 0.00 C ATOM 274 CD GLU A 19 18.285 12.579 -16.130 1.00 0.00 C ATOM 275 OE1 GLU A 19 18.404 11.391 -15.952 1.00 0.00 O ATOM 276 OE2 GLU A 19 19.091 13.242 -16.739 1.00 0.00 O1- ATOM 0 H GLU A 19 14.608 13.748 -17.115 1.00 0.00 H new ATOM 0 HA GLU A 19 16.244 11.445 -17.401 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.035 12.908 -15.028 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.085 11.517 -14.839 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.834 14.134 -16.186 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.303 13.642 -14.570 1.00 0.00 H new ATOM 283 N ILE A 20 13.133 10.994 -16.499 1.00 0.00 N ATOM 284 CA ILE A 20 12.089 9.982 -16.390 1.00 0.00 C ATOM 285 C ILE A 20 12.022 9.121 -17.645 1.00 0.00 C ATOM 286 O ILE A 20 11.828 7.908 -17.568 1.00 0.00 O ATOM 287 CB ILE A 20 10.716 10.631 -16.139 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.656 11.224 -14.729 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.602 9.616 -16.342 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.486 12.156 -14.508 1.00 0.00 C ATOM 0 H ILE A 20 12.793 11.955 -16.464 1.00 0.00 H new ATOM 0 HA ILE A 20 12.343 9.347 -15.541 1.00 0.00 H new ATOM 0 HB ILE A 20 10.578 11.439 -16.858 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.603 10.411 -14.005 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.582 11.765 -14.533 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.638 10.092 -16.160 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.634 9.240 -17.365 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.734 8.787 -15.647 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.511 12.536 -13.487 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.548 12.990 -15.207 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.554 11.615 -14.671 1.00 0.00 H new ATOM 302 N LYS A 21 12.186 9.756 -18.800 1.00 0.00 N ATOM 303 CA LYS A 21 12.167 9.046 -20.074 1.00 0.00 C ATOM 304 C LYS A 21 13.383 8.138 -20.216 1.00 0.00 C ATOM 305 O LYS A 21 13.264 6.989 -20.638 1.00 0.00 O ATOM 306 CB LYS A 21 12.111 10.037 -21.238 1.00 0.00 C ATOM 307 CG LYS A 21 10.771 10.742 -21.400 1.00 0.00 C ATOM 308 CD LYS A 21 10.812 11.753 -22.537 1.00 0.00 C ATOM 309 CE LYS A 21 9.481 12.474 -22.686 1.00 0.00 C ATOM 310 NZ LYS A 21 9.515 13.484 -23.779 1.00 0.00 N1+ ATOM 0 H LYS A 21 12.334 10.762 -18.881 1.00 0.00 H new ATOM 0 HA LYS A 21 11.273 8.423 -20.096 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.888 10.788 -21.097 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.343 9.507 -22.162 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.991 10.005 -21.593 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.509 11.247 -20.470 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.603 12.480 -22.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.059 11.245 -23.469 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.695 11.747 -22.889 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.227 12.965 -21.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.589 13.953 -23.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.248 14.193 -23.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.732 13.013 -24.680 1.00 0.00 H new ATOM 324 N ARG A 22 14.550 8.663 -19.862 1.00 0.00 N ATOM 325 CA ARG A 22 15.781 7.881 -19.889 1.00 0.00 C ATOM 326 C ARG A 22 15.729 6.736 -18.886 1.00 0.00 C ATOM 327 O ARG A 22 15.906 5.572 -19.247 1.00 0.00 O ATOM 328 CB ARG A 22 16.983 8.763 -19.587 1.00 0.00 C ATOM 329 CG ARG A 22 18.328 8.057 -19.651 1.00 0.00 C ATOM 330 CD ARG A 22 19.447 8.973 -19.316 1.00 0.00 C ATOM 331 NE ARG A 22 19.432 9.358 -17.914 1.00 0.00 N ATOM 332 CZ ARG A 22 19.917 8.604 -16.908 1.00 0.00 C ATOM 333 NH1 ARG A 22 20.451 7.431 -17.166 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 19.856 9.045 -15.664 1.00 0.00 N ATOM 0 H ARG A 22 14.670 9.627 -19.553 1.00 0.00 H new ATOM 0 HA ARG A 22 15.882 7.464 -20.891 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.992 9.594 -20.292 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.861 9.191 -18.592 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.329 7.214 -18.960 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.478 7.650 -20.651 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.395 8.488 -19.549 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.384 9.866 -19.938 1.00 0.00 H new ATOM 0 HE ARG A 22 19.026 10.263 -17.675 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.498 7.092 -18.127 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.818 6.859 -16.405 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.442 9.956 -15.466 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.223 8.475 -14.902 1.00 0.00 H new ATOM 348 N ALA A 23 15.487 7.074 -17.624 1.00 0.00 N ATOM 349 CA ALA A 23 15.365 6.071 -16.573 1.00 0.00 C ATOM 350 C ALA A 23 14.367 4.987 -16.957 1.00 0.00 C ATOM 351 O ALA A 23 14.617 3.798 -16.756 1.00 0.00 O ATOM 352 CB ALA A 23 14.957 6.724 -15.261 1.00 0.00 C ATOM 0 H ALA A 23 15.371 8.036 -17.304 1.00 0.00 H new ATOM 0 HA ALA A 23 16.340 5.601 -16.445 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.870 5.962 -14.487 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.711 7.454 -14.968 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.997 7.224 -15.387 1.00 0.00 H new ATOM 358 N TYR A 24 13.233 5.403 -17.513 1.00 0.00 N ATOM 359 CA TYR A 24 12.206 4.468 -17.950 1.00 0.00 C ATOM 360 C TYR A 24 12.724 3.556 -19.055 1.00 0.00 C ATOM 361 O TYR A 24 12.462 2.353 -19.054 1.00 0.00 O ATOM 362 CB TYR A 24 10.961 5.222 -18.425 1.00 0.00 C ATOM 363 CG TYR A 24 9.901 4.330 -19.031 1.00 0.00 C ATOM 364 CD1 TYR A 24 9.238 3.404 -18.239 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.590 4.440 -20.378 1.00 0.00 C ATOM 366 CE1 TYR A 24 8.270 2.589 -18.792 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.621 3.625 -20.931 1.00 0.00 C ATOM 368 CZ TYR A 24 7.963 2.703 -20.144 1.00 0.00 C ATOM 369 OH TYR A 24 6.998 1.892 -20.695 1.00 0.00 O ATOM 0 H TYR A 24 13.003 6.384 -17.671 1.00 0.00 H new ATOM 0 HA TYR A 24 11.937 3.846 -17.097 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.530 5.761 -17.581 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.259 5.969 -19.161 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.479 3.320 -17.190 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.105 5.162 -20.994 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.754 1.866 -18.178 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.379 3.710 -21.980 1.00 0.00 H new ATOM 0 HH TYR A 24 6.563 2.360 -21.438 1.00 0.00 H new ATOM 379 N ARG A 25 13.460 4.136 -19.997 1.00 0.00 N ATOM 380 CA ARG A 25 14.047 3.371 -21.090 1.00 0.00 C ATOM 381 C ARG A 25 14.922 2.240 -20.564 1.00 0.00 C ATOM 382 O ARG A 25 14.824 1.102 -21.021 1.00 0.00 O ATOM 383 CB ARG A 25 14.876 4.273 -21.991 1.00 0.00 C ATOM 384 CG ARG A 25 15.559 3.566 -23.151 1.00 0.00 C ATOM 385 CD ARG A 25 16.591 4.425 -23.787 1.00 0.00 C ATOM 386 NE ARG A 25 17.689 4.717 -22.879 1.00 0.00 N ATOM 387 CZ ARG A 25 18.772 5.449 -23.201 1.00 0.00 C ATOM 388 NH1 ARG A 25 18.889 5.957 -24.408 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 19.719 5.657 -22.303 1.00 0.00 N ATOM 0 H ARG A 25 13.664 5.135 -20.025 1.00 0.00 H new ATOM 0 HA ARG A 25 13.227 2.941 -21.665 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.231 5.055 -22.391 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.637 4.766 -21.386 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.021 2.645 -22.795 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.814 3.282 -23.894 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.978 3.929 -24.677 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.134 5.358 -24.116 1.00 0.00 H new ATOM 0 HE ARG A 25 17.635 4.341 -21.932 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.159 5.797 -25.102 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.710 6.511 -24.651 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.629 5.263 -21.366 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.540 6.212 -22.546 1.00 0.00 H new ATOM 403 N ARG A 26 15.779 2.562 -19.601 1.00 0.00 N ATOM 404 CA ARG A 26 16.637 1.563 -18.974 1.00 0.00 C ATOM 405 C ARG A 26 15.817 0.414 -18.402 1.00 0.00 C ATOM 406 O ARG A 26 16.148 -0.755 -18.600 1.00 0.00 O ATOM 407 CB ARG A 26 17.467 2.191 -17.865 1.00 0.00 C ATOM 408 CG ARG A 26 18.398 1.232 -17.141 1.00 0.00 C ATOM 409 CD ARG A 26 19.193 1.922 -16.093 1.00 0.00 C ATOM 410 NE ARG A 26 20.041 0.999 -15.358 1.00 0.00 N ATOM 411 CZ ARG A 26 20.803 1.336 -14.299 1.00 0.00 C ATOM 412 NH1 ARG A 26 20.812 2.577 -13.866 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 21.541 0.420 -13.697 1.00 0.00 N ATOM 0 H ARG A 26 15.898 3.508 -19.237 1.00 0.00 H new ATOM 0 HA ARG A 26 17.300 1.171 -19.745 1.00 0.00 H new ATOM 0 HB2 ARG A 26 18.061 3.000 -18.290 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.792 2.640 -17.136 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.814 0.432 -16.686 1.00 0.00 H new ATOM 0 HG3 ARG A 26 19.071 0.766 -17.860 1.00 0.00 H new ATOM 0 HD2 ARG A 26 19.810 2.693 -16.555 1.00 0.00 H new ATOM 0 HD3 ARG A 26 18.519 2.426 -15.400 1.00 0.00 H new ATOM 0 HE ARG A 26 20.061 0.027 -15.666 1.00 0.00 H new ATOM 0 HH11 ARG A 26 20.243 3.284 -14.332 1.00 0.00 H new ATOM 0 HH12 ARG A 26 21.388 2.833 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 26 21.534 -0.543 -14.034 1.00 0.00 H new ATOM 0 HH22 ARG A 26 22.118 0.676 -12.895 1.00 0.00 H new ATOM 427 N GLN A 27 14.748 0.753 -17.691 1.00 0.00 N ATOM 428 CA GLN A 27 13.963 -0.238 -16.965 1.00 0.00 C ATOM 429 C GLN A 27 13.086 -1.047 -17.912 1.00 0.00 C ATOM 430 O GLN A 27 12.905 -2.251 -17.730 1.00 0.00 O ATOM 431 CB GLN A 27 13.097 0.438 -15.900 1.00 0.00 C ATOM 432 CG GLN A 27 13.885 1.057 -14.758 1.00 0.00 C ATOM 433 CD GLN A 27 14.736 0.037 -14.024 1.00 0.00 C ATOM 434 OE1 GLN A 27 14.273 -1.058 -13.694 1.00 0.00 O ATOM 435 NE2 GLN A 27 15.989 0.393 -13.763 1.00 0.00 N ATOM 0 H GLN A 27 14.404 1.709 -17.602 1.00 0.00 H new ATOM 0 HA GLN A 27 14.659 -0.919 -16.476 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.496 1.214 -16.375 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.403 -0.297 -15.492 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.526 1.847 -15.149 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.195 1.524 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.330 1.309 -14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.610 -0.250 -13.271 1.00 0.00 H new ATOM 444 N ALA A 28 12.543 -0.379 -18.923 1.00 0.00 N ATOM 445 CA ALA A 28 11.774 -1.053 -19.963 1.00 0.00 C ATOM 446 C ALA A 28 12.653 -1.999 -20.771 1.00 0.00 C ATOM 447 O ALA A 28 12.218 -3.082 -21.163 1.00 0.00 O ATOM 448 CB ALA A 28 11.113 -0.034 -20.879 1.00 0.00 C ATOM 0 H ALA A 28 12.621 0.631 -19.045 1.00 0.00 H new ATOM 0 HA ALA A 28 10.998 -1.645 -19.477 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.543 -0.553 -21.650 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.443 0.598 -20.296 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.879 0.584 -21.348 1.00 0.00 H new ATOM 454 N LEU A 29 13.890 -1.584 -21.017 1.00 0.00 N ATOM 455 CA LEU A 29 14.897 -2.471 -21.589 1.00 0.00 C ATOM 456 C LEU A 29 15.263 -3.587 -20.620 1.00 0.00 C ATOM 457 O LEU A 29 15.526 -4.717 -21.029 1.00 0.00 O ATOM 458 CB LEU A 29 16.153 -1.675 -21.963 1.00 0.00 C ATOM 459 CG LEU A 29 15.992 -0.681 -23.119 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.263 0.147 -23.258 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.691 -1.438 -24.403 1.00 0.00 C ATOM 0 H LEU A 29 14.221 -0.638 -20.829 1.00 0.00 H new ATOM 0 HA LEU A 29 14.475 -2.922 -22.487 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.489 -1.128 -21.082 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.943 -2.380 -22.222 1.00 0.00 H new ATOM 0 HG LEU A 29 15.161 -0.006 -22.915 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.149 0.854 -24.080 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.445 0.693 -22.332 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.107 -0.513 -23.461 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.577 -0.730 -25.224 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.512 -2.121 -24.624 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.769 -2.006 -24.283 1.00 0.00 H new ATOM 473 N ARG A 30 15.279 -3.262 -19.332 1.00 0.00 N ATOM 474 CA ARG A 30 15.612 -4.237 -18.300 1.00 0.00 C ATOM 475 C ARG A 30 14.626 -5.398 -18.299 1.00 0.00 C ATOM 476 O ARG A 30 15.015 -6.555 -18.140 1.00 0.00 O ATOM 477 CB ARG A 30 15.620 -3.582 -16.926 1.00 0.00 C ATOM 478 CG ARG A 30 16.015 -4.501 -15.781 1.00 0.00 C ATOM 479 CD ARG A 30 15.986 -3.795 -14.475 1.00 0.00 C ATOM 480 NE ARG A 30 16.335 -4.678 -13.374 1.00 0.00 N ATOM 481 CZ ARG A 30 16.149 -4.386 -12.071 1.00 0.00 C ATOM 482 NH1 ARG A 30 15.620 -3.234 -11.725 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 16.501 -5.258 -11.142 1.00 0.00 N ATOM 0 H ARG A 30 15.065 -2.330 -18.977 1.00 0.00 H new ATOM 0 HA ARG A 30 16.607 -4.622 -18.524 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.307 -2.736 -16.947 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.627 -3.181 -16.725 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.337 -5.354 -15.749 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.015 -4.895 -15.959 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.680 -2.955 -14.501 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.991 -3.382 -14.308 1.00 0.00 H new ATOM 0 HE ARG A 30 16.749 -5.581 -13.603 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.350 -2.561 -12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.479 -3.013 -10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.913 -6.151 -11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.360 -5.037 -10.156 1.00 0.00 H new ATOM 497 N TYR A 31 13.348 -5.082 -18.480 1.00 0.00 N ATOM 498 CA TYR A 31 12.292 -6.084 -18.398 1.00 0.00 C ATOM 499 C TYR A 31 11.745 -6.421 -19.779 1.00 0.00 C ATOM 500 O TYR A 31 10.792 -7.188 -19.909 1.00 0.00 O ATOM 501 CB TYR A 31 11.164 -5.600 -17.484 1.00 0.00 C ATOM 502 CG TYR A 31 11.591 -5.384 -16.050 1.00 0.00 C ATOM 503 CD1 TYR A 31 11.628 -4.101 -15.523 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.945 -6.468 -15.261 1.00 0.00 C ATOM 505 CE1 TYR A 31 12.018 -3.903 -14.213 1.00 0.00 C ATOM 506 CE2 TYR A 31 12.334 -6.271 -13.949 1.00 0.00 C ATOM 507 CZ TYR A 31 12.372 -4.995 -13.426 1.00 0.00 C ATOM 508 OH TYR A 31 12.759 -4.798 -12.120 1.00 0.00 O ATOM 0 H TYR A 31 13.018 -4.139 -18.685 1.00 0.00 H new ATOM 0 HA TYR A 31 12.723 -6.991 -17.974 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.764 -4.666 -17.879 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.353 -6.328 -17.506 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.352 -3.257 -16.137 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.917 -7.467 -15.672 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.048 -2.905 -13.801 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.608 -7.115 -13.334 1.00 0.00 H new ATOM 0 HH TYR A 31 12.972 -5.661 -11.708 1.00 0.00 H new ATOM 518 N HIS A 32 12.355 -5.843 -20.808 1.00 0.00 N ATOM 519 CA HIS A 32 12.014 -6.175 -22.187 1.00 0.00 C ATOM 520 C HIS A 32 11.961 -7.684 -22.393 1.00 0.00 C ATOM 521 O HIS A 32 12.802 -8.420 -21.874 1.00 0.00 O ATOM 522 CB HIS A 32 13.023 -5.556 -23.159 1.00 0.00 C ATOM 523 CG HIS A 32 12.577 -5.582 -24.588 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.659 -6.713 -25.373 1.00 0.00 N ATOM 525 CD2 HIS A 32 12.043 -4.617 -25.373 1.00 0.00 C ATOM 526 CE1 HIS A 32 12.195 -6.441 -26.580 1.00 0.00 C ATOM 527 NE2 HIS A 32 11.817 -5.177 -26.606 1.00 0.00 N ATOM 0 H HIS A 32 13.089 -5.141 -20.713 1.00 0.00 H new ATOM 0 HA HIS A 32 11.026 -5.762 -22.389 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.211 -4.523 -22.865 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.970 -6.089 -23.074 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.834 -3.598 -25.084 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.135 -7.135 -27.405 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.421 -4.694 -27.412 1.00 0.00 H new ATOM 535 N PRO A 33 10.970 -8.139 -23.151 1.00 0.00 N ATOM 536 CA PRO A 33 10.757 -9.566 -23.359 1.00 0.00 C ATOM 537 C PRO A 33 12.037 -10.253 -23.820 1.00 0.00 C ATOM 538 O PRO A 33 12.314 -11.389 -23.437 1.00 0.00 O ATOM 539 CB PRO A 33 9.677 -9.598 -24.445 1.00 0.00 C ATOM 540 CG PRO A 33 8.850 -8.387 -24.175 1.00 0.00 C ATOM 541 CD PRO A 33 9.849 -7.336 -23.768 1.00 0.00 C ATOM 0 HA PRO A 33 10.464 -10.095 -22.452 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.115 -9.567 -25.443 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.081 -10.509 -24.387 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.290 -8.082 -25.059 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.122 -8.571 -23.385 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.194 -6.756 -24.624 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.422 -6.630 -23.056 1.00 0.00 H new ATOM 549 N ASP A 34 12.813 -9.555 -24.642 1.00 0.00 N ATOM 550 CA ASP A 34 14.039 -10.116 -25.196 1.00 0.00 C ATOM 551 C ASP A 34 15.211 -9.934 -24.239 1.00 0.00 C ATOM 552 O ASP A 34 16.360 -10.196 -24.593 1.00 0.00 O ATOM 553 CB ASP A 34 14.367 -9.465 -26.542 1.00 0.00 C ATOM 554 CG ASP A 34 13.363 -9.818 -27.631 1.00 0.00 C ATOM 555 OD1 ASP A 34 12.713 -10.829 -27.508 1.00 0.00 O ATOM 556 OD2 ASP A 34 13.254 -9.072 -28.576 1.00 0.00 O1- ATOM 0 H ASP A 34 12.614 -8.600 -24.939 1.00 0.00 H new ATOM 0 HA ASP A 34 13.876 -11.184 -25.344 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.396 -8.382 -26.419 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.363 -9.777 -26.858 1.00 0.00 H new ATOM 561 N LYS A 35 14.911 -9.483 -23.026 1.00 0.00 N ATOM 562 CA LYS A 35 15.946 -9.185 -22.043 1.00 0.00 C ATOM 563 C LYS A 35 15.686 -9.913 -20.731 1.00 0.00 C ATOM 564 O LYS A 35 16.620 -10.356 -20.061 1.00 0.00 O ATOM 565 CB LYS A 35 16.033 -7.677 -21.799 1.00 0.00 C ATOM 566 CG LYS A 35 16.457 -6.866 -23.016 1.00 0.00 C ATOM 567 CD LYS A 35 17.872 -7.218 -23.449 1.00 0.00 C ATOM 568 CE LYS A 35 18.331 -6.348 -24.610 1.00 0.00 C ATOM 569 NZ LYS A 35 19.703 -6.700 -25.062 1.00 0.00 N1+ ATOM 0 H LYS A 35 13.959 -9.316 -22.700 1.00 0.00 H new ATOM 0 HA LYS A 35 16.897 -9.535 -22.444 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.061 -7.319 -21.460 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.740 -7.492 -20.990 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.766 -7.052 -23.838 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.399 -5.802 -22.785 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.553 -7.093 -22.607 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.914 -8.268 -23.740 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.636 -6.458 -25.442 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.306 -5.300 -24.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.976 -6.084 -25.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.371 -6.571 -24.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.722 -7.692 -25.373 1.00 0.00 H new ATOM 583 N ASN A 36 14.413 -10.034 -20.368 1.00 0.00 N ATOM 584 CA ASN A 36 14.033 -10.617 -19.087 1.00 0.00 C ATOM 585 C ASN A 36 12.687 -11.324 -19.181 1.00 0.00 C ATOM 586 O ASN A 36 11.654 -10.686 -19.385 1.00 0.00 O ATOM 587 CB ASN A 36 14.005 -9.555 -18.005 1.00 0.00 C ATOM 588 CG ASN A 36 13.740 -10.127 -16.641 1.00 0.00 C ATOM 589 OD1 ASN A 36 12.993 -11.103 -16.497 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.335 -9.539 -15.634 1.00 0.00 N ATOM 0 H ASN A 36 13.626 -9.735 -20.944 1.00 0.00 H new ATOM 0 HA ASN A 36 14.784 -11.361 -18.822 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.958 -9.027 -17.995 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.236 -8.820 -18.242 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.191 -9.883 -14.685 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.943 -8.737 -15.799 1.00 0.00 H new ATOM 597 N LYS A 37 12.706 -12.644 -19.032 1.00 0.00 N ATOM 598 CA LYS A 37 11.479 -13.431 -19.027 1.00 0.00 C ATOM 599 C LYS A 37 11.300 -14.166 -17.704 1.00 0.00 C ATOM 600 O LYS A 37 11.867 -15.239 -17.498 1.00 0.00 O ATOM 601 CB LYS A 37 11.478 -14.429 -20.187 1.00 0.00 C ATOM 602 CG LYS A 37 11.447 -13.787 -21.568 1.00 0.00 C ATOM 603 CD LYS A 37 11.345 -14.838 -22.663 1.00 0.00 C ATOM 604 CE LYS A 37 11.333 -14.200 -24.044 1.00 0.00 C ATOM 605 NZ LYS A 37 11.183 -15.213 -25.124 1.00 0.00 N1+ ATOM 0 H LYS A 37 13.558 -13.192 -18.913 1.00 0.00 H new ATOM 0 HA LYS A 37 10.642 -12.743 -19.150 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.366 -15.057 -20.111 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.614 -15.085 -20.085 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.600 -13.105 -21.635 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.348 -13.192 -21.715 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.185 -15.528 -22.587 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.437 -15.424 -22.523 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.515 -13.482 -24.105 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.258 -13.644 -24.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.180 -14.737 -26.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.976 -15.884 -25.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.288 -15.727 -24.996 1.00 0.00 H new ATOM 619 N GLU A 38 10.509 -13.582 -16.811 1.00 0.00 N ATOM 620 CA GLU A 38 10.210 -14.207 -15.528 1.00 0.00 C ATOM 621 C GLU A 38 8.902 -13.682 -14.951 1.00 0.00 C ATOM 622 O GLU A 38 8.660 -12.475 -14.935 1.00 0.00 O ATOM 623 CB GLU A 38 11.350 -13.964 -14.537 1.00 0.00 C ATOM 624 CG GLU A 38 11.145 -14.606 -13.173 1.00 0.00 C ATOM 625 CD GLU A 38 12.307 -14.389 -12.244 1.00 0.00 C ATOM 626 OE1 GLU A 38 13.235 -13.720 -12.630 1.00 0.00 O ATOM 627 OE2 GLU A 38 12.265 -14.890 -11.145 1.00 0.00 O1- ATOM 0 H GLU A 38 10.063 -12.676 -16.952 1.00 0.00 H new ATOM 0 HA GLU A 38 10.105 -15.279 -15.697 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.277 -14.343 -14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.477 -12.890 -14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.242 -14.200 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.984 -15.676 -13.301 1.00 0.00 H new ATOM 634 N PRO A 39 8.060 -14.594 -14.478 1.00 0.00 N ATOM 635 CA PRO A 39 6.804 -14.220 -13.839 1.00 0.00 C ATOM 636 C PRO A 39 7.047 -13.587 -12.475 1.00 0.00 C ATOM 637 O PRO A 39 7.776 -14.134 -11.647 1.00 0.00 O ATOM 638 CB PRO A 39 6.067 -15.558 -13.718 1.00 0.00 C ATOM 639 CG PRO A 39 7.158 -16.568 -13.610 1.00 0.00 C ATOM 640 CD PRO A 39 8.232 -16.059 -14.535 1.00 0.00 C ATOM 0 HA PRO A 39 6.240 -13.474 -14.399 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.418 -15.577 -12.842 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.436 -15.745 -14.587 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.522 -16.652 -12.586 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.814 -17.558 -13.908 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.225 -16.361 -14.203 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.105 -16.440 -15.548 1.00 0.00 H new ATOM 648 N GLY A 40 6.433 -12.432 -12.247 1.00 0.00 N ATOM 649 CA GLY A 40 6.719 -11.632 -11.061 1.00 0.00 C ATOM 650 C GLY A 40 7.841 -10.636 -11.326 1.00 0.00 C ATOM 651 O GLY A 40 8.154 -9.799 -10.480 1.00 0.00 O ATOM 0 H GLY A 40 5.733 -12.028 -12.869 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.820 -11.098 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.998 -12.287 -10.236 1.00 0.00 H new ATOM 655 N ALA A 41 8.445 -10.733 -12.507 1.00 0.00 N ATOM 656 CA ALA A 41 9.397 -9.728 -12.965 1.00 0.00 C ATOM 657 C ALA A 41 8.835 -8.931 -14.135 1.00 0.00 C ATOM 658 O ALA A 41 9.102 -7.737 -14.270 1.00 0.00 O ATOM 659 CB ALA A 41 10.713 -10.384 -13.354 1.00 0.00 C ATOM 0 H ALA A 41 8.291 -11.498 -13.164 1.00 0.00 H new ATOM 0 HA ALA A 41 9.579 -9.036 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.413 -9.621 -13.694 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.131 -10.901 -12.490 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.539 -11.100 -14.157 1.00 0.00 H new ATOM 665 N GLU A 42 8.056 -9.599 -14.979 1.00 0.00 N ATOM 666 CA GLU A 42 7.128 -8.913 -15.871 1.00 0.00 C ATOM 667 C GLU A 42 6.102 -8.108 -15.083 1.00 0.00 C ATOM 668 O GLU A 42 5.562 -7.118 -15.579 1.00 0.00 O ATOM 669 CB GLU A 42 6.415 -9.920 -16.775 1.00 0.00 C ATOM 670 CG GLU A 42 7.321 -10.607 -17.788 1.00 0.00 C ATOM 671 CD GLU A 42 6.603 -11.644 -18.605 1.00 0.00 C ATOM 672 OE1 GLU A 42 5.469 -11.929 -18.306 1.00 0.00 O ATOM 673 OE2 GLU A 42 7.190 -12.152 -19.531 1.00 0.00 O1- ATOM 0 H GLU A 42 8.049 -10.615 -15.064 1.00 0.00 H new ATOM 0 HA GLU A 42 7.705 -8.224 -16.488 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.945 -10.681 -16.151 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.615 -9.407 -17.310 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.747 -9.857 -18.455 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.153 -11.077 -17.264 1.00 0.00 H new ATOM 680 N GLU A 43 5.836 -8.538 -13.854 1.00 0.00 N ATOM 681 CA GLU A 43 5.007 -7.767 -12.935 1.00 0.00 C ATOM 682 C GLU A 43 5.756 -6.552 -12.404 1.00 0.00 C ATOM 683 O GLU A 43 5.178 -5.477 -12.238 1.00 0.00 O ATOM 684 CB GLU A 43 4.546 -8.644 -11.769 1.00 0.00 C ATOM 685 CG GLU A 43 3.648 -9.805 -12.171 1.00 0.00 C ATOM 686 CD GLU A 43 2.351 -9.355 -12.786 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.711 -8.503 -12.218 1.00 0.00 O ATOM 688 OE2 GLU A 43 2.001 -9.864 -13.825 1.00 0.00 O1- ATOM 0 H GLU A 43 6.183 -9.417 -13.471 1.00 0.00 H new ATOM 0 HA GLU A 43 4.135 -7.418 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.424 -9.040 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.014 -8.021 -11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.179 -10.440 -12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.436 -10.415 -11.293 1.00 0.00 H new ATOM 695 N LYS A 44 7.046 -6.728 -12.139 1.00 0.00 N ATOM 696 CA LYS A 44 7.931 -5.604 -11.857 1.00 0.00 C ATOM 697 C LYS A 44 7.956 -4.617 -13.016 1.00 0.00 C ATOM 698 O LYS A 44 7.970 -3.403 -12.812 1.00 0.00 O ATOM 699 CB LYS A 44 9.346 -6.098 -11.555 1.00 0.00 C ATOM 700 CG LYS A 44 9.499 -6.786 -10.206 1.00 0.00 C ATOM 701 CD LYS A 44 10.917 -7.301 -10.004 1.00 0.00 C ATOM 702 CE LYS A 44 11.065 -8.006 -8.664 1.00 0.00 C ATOM 703 NZ LYS A 44 12.443 -8.529 -8.460 1.00 0.00 N1+ ATOM 0 H LYS A 44 7.502 -7.640 -12.114 1.00 0.00 H new ATOM 0 HA LYS A 44 7.543 -5.087 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.650 -6.791 -12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.030 -5.250 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.247 -6.087 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.795 -7.616 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.174 -7.989 -10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.619 -6.469 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.817 -7.313 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.352 -8.829 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.502 -9.002 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.671 -9.210 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.121 -7.741 -8.489 1.00 0.00 H new ATOM 717 N PHE A 45 7.963 -5.145 -14.236 1.00 0.00 N ATOM 718 CA PHE A 45 7.833 -4.319 -15.429 1.00 0.00 C ATOM 719 C PHE A 45 6.523 -3.542 -15.422 1.00 0.00 C ATOM 720 O PHE A 45 6.484 -2.369 -15.794 1.00 0.00 O ATOM 721 CB PHE A 45 7.912 -5.184 -16.690 1.00 0.00 C ATOM 722 CG PHE A 45 8.023 -4.392 -17.962 1.00 0.00 C ATOM 723 CD1 PHE A 45 8.363 -3.048 -17.932 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.789 -4.990 -19.190 1.00 0.00 C ATOM 725 CE1 PHE A 45 8.466 -2.319 -19.101 1.00 0.00 C ATOM 726 CE2 PHE A 45 7.892 -4.265 -20.361 1.00 0.00 C ATOM 727 CZ PHE A 45 8.231 -2.927 -20.316 1.00 0.00 C ATOM 0 H PHE A 45 8.058 -6.143 -14.423 1.00 0.00 H new ATOM 0 HA PHE A 45 8.658 -3.606 -15.429 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.772 -5.848 -16.610 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.025 -5.816 -16.742 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.549 -2.566 -16.984 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.523 -6.036 -19.232 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.731 -1.273 -19.063 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.708 -4.744 -21.311 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.312 -2.358 -21.230 1.00 0.00 H new ATOM 737 N LYS A 46 5.452 -4.202 -14.996 1.00 0.00 N ATOM 738 CA LYS A 46 4.155 -3.551 -14.859 1.00 0.00 C ATOM 739 C LYS A 46 4.204 -2.439 -13.818 1.00 0.00 C ATOM 740 O LYS A 46 3.596 -1.384 -13.994 1.00 0.00 O ATOM 741 CB LYS A 46 3.079 -4.573 -14.485 1.00 0.00 C ATOM 742 CG LYS A 46 2.683 -5.511 -15.617 1.00 0.00 C ATOM 743 CD LYS A 46 1.667 -6.543 -15.150 1.00 0.00 C ATOM 744 CE LYS A 46 1.305 -7.510 -16.267 1.00 0.00 C ATOM 745 NZ LYS A 46 0.397 -8.590 -15.795 1.00 0.00 N1+ ATOM 0 H LYS A 46 5.457 -5.189 -14.739 1.00 0.00 H new ATOM 0 HA LYS A 46 3.902 -3.107 -15.822 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.436 -5.168 -13.645 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.192 -4.040 -14.144 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.265 -4.933 -16.441 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.569 -6.017 -16.000 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.072 -7.098 -14.304 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.768 -6.037 -14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.827 -6.963 -17.079 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.215 -7.952 -16.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.161 -9.217 -16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.869 -9.139 -15.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.475 -8.169 -15.416 1.00 0.00 H new ATOM 759 N GLU A 47 4.934 -2.682 -12.735 1.00 0.00 N ATOM 760 CA GLU A 47 5.187 -1.651 -11.735 1.00 0.00 C ATOM 761 C GLU A 47 5.925 -0.465 -12.342 1.00 0.00 C ATOM 762 O GLU A 47 5.644 0.687 -12.013 1.00 0.00 O ATOM 763 CB GLU A 47 5.995 -2.226 -10.570 1.00 0.00 C ATOM 764 CG GLU A 47 5.228 -3.210 -9.698 1.00 0.00 C ATOM 765 CD GLU A 47 6.090 -3.858 -8.650 1.00 0.00 C ATOM 766 OE1 GLU A 47 7.286 -3.705 -8.714 1.00 0.00 O ATOM 767 OE2 GLU A 47 5.552 -4.508 -7.785 1.00 0.00 O1- ATOM 0 H GLU A 47 5.361 -3.585 -12.527 1.00 0.00 H new ATOM 0 HA GLU A 47 4.223 -1.302 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.879 -2.724 -10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.346 -1.404 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.403 -2.690 -9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.790 -3.983 -10.330 1.00 0.00 H new ATOM 774 N ILE A 48 6.871 -0.753 -13.229 1.00 0.00 N ATOM 775 CA ILE A 48 7.556 0.288 -13.985 1.00 0.00 C ATOM 776 C ILE A 48 6.609 0.975 -14.959 1.00 0.00 C ATOM 777 O ILE A 48 6.595 2.202 -15.064 1.00 0.00 O ATOM 778 CB ILE A 48 8.756 -0.293 -14.756 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.812 -0.822 -13.783 1.00 0.00 C ATOM 780 CG2 ILE A 48 9.355 0.759 -15.677 1.00 0.00 C ATOM 781 CD1 ILE A 48 10.410 0.242 -12.892 1.00 0.00 C ATOM 0 H ILE A 48 7.181 -1.701 -13.442 1.00 0.00 H new ATOM 0 HA ILE A 48 7.917 1.026 -13.268 1.00 0.00 H new ATOM 0 HB ILE A 48 8.405 -1.125 -15.367 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.363 -1.594 -13.159 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.611 -1.297 -14.352 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.202 0.332 -16.214 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.601 1.089 -16.391 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.692 1.611 -15.086 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.149 -0.210 -12.231 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.890 1.004 -13.507 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.622 0.701 -12.295 1.00 0.00 H new ATOM 793 N ALA A 49 5.818 0.178 -15.670 1.00 0.00 N ATOM 794 CA ALA A 49 4.749 0.708 -16.507 1.00 0.00 C ATOM 795 C ALA A 49 3.884 1.697 -15.735 1.00 0.00 C ATOM 796 O ALA A 49 3.636 2.811 -16.197 1.00 0.00 O ATOM 797 CB ALA A 49 3.895 -0.425 -17.056 1.00 0.00 C ATOM 0 H ALA A 49 5.898 -0.839 -15.683 1.00 0.00 H new ATOM 0 HA ALA A 49 5.207 1.240 -17.341 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.101 -0.013 -17.679 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.516 -1.092 -17.654 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.455 -0.983 -16.229 1.00 0.00 H new ATOM 803 N GLU A 50 3.426 1.283 -14.560 1.00 0.00 N ATOM 804 CA GLU A 50 2.575 2.126 -13.728 1.00 0.00 C ATOM 805 C GLU A 50 3.293 3.408 -13.329 1.00 0.00 C ATOM 806 O GLU A 50 2.732 4.500 -13.423 1.00 0.00 O ATOM 807 CB GLU A 50 2.134 1.366 -12.475 1.00 0.00 C ATOM 808 CG GLU A 50 1.094 2.092 -11.634 1.00 0.00 C ATOM 809 CD GLU A 50 -0.282 2.049 -12.239 1.00 0.00 C ATOM 810 OE1 GLU A 50 -0.481 1.294 -13.161 1.00 0.00 O ATOM 811 OE2 GLU A 50 -1.136 2.769 -11.777 1.00 0.00 O1- ATOM 0 H GLU A 50 3.630 0.367 -14.161 1.00 0.00 H new ATOM 0 HA GLU A 50 1.695 2.393 -14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.731 0.399 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.010 1.169 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.062 1.646 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.397 3.131 -11.508 1.00 0.00 H new ATOM 818 N ALA A 51 4.538 3.272 -12.883 1.00 0.00 N ATOM 819 CA ALA A 51 5.400 4.424 -12.653 1.00 0.00 C ATOM 820 C ALA A 51 5.319 5.413 -13.809 1.00 0.00 C ATOM 821 O ALA A 51 4.900 6.557 -13.631 1.00 0.00 O ATOM 822 CB ALA A 51 6.838 3.974 -12.441 1.00 0.00 C ATOM 0 H ALA A 51 4.972 2.373 -12.674 1.00 0.00 H new ATOM 0 HA ALA A 51 5.052 4.930 -11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.470 4.845 -12.270 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.889 3.314 -11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.186 3.440 -13.325 1.00 0.00 H new ATOM 828 N TYR A 52 5.723 4.965 -14.993 1.00 0.00 N ATOM 829 CA TYR A 52 5.720 5.819 -16.176 1.00 0.00 C ATOM 830 C TYR A 52 4.303 6.224 -16.560 1.00 0.00 C ATOM 831 O TYR A 52 4.057 7.365 -16.951 1.00 0.00 O ATOM 832 CB TYR A 52 6.407 5.112 -17.347 1.00 0.00 C ATOM 833 CG TYR A 52 6.792 6.039 -18.477 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.668 7.090 -18.245 1.00 0.00 C ATOM 835 CD2 TYR A 52 6.273 5.838 -19.748 1.00 0.00 C ATOM 836 CE1 TYR A 52 8.020 7.938 -19.277 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.626 6.686 -20.780 1.00 0.00 C ATOM 838 CZ TYR A 52 7.496 7.731 -20.548 1.00 0.00 C ATOM 839 OH TYR A 52 7.847 8.575 -21.576 1.00 0.00 O ATOM 0 H TYR A 52 6.057 4.016 -15.159 1.00 0.00 H new ATOM 0 HA TYR A 52 6.276 6.725 -15.937 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.302 4.609 -16.981 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.742 4.339 -17.733 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.075 7.245 -17.257 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.593 5.019 -19.931 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.699 8.758 -19.097 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.221 6.531 -21.769 1.00 0.00 H new ATOM 0 HH TYR A 52 7.421 8.274 -22.406 1.00 0.00 H new ATOM 849 N ASP A 53 3.373 5.281 -16.448 1.00 0.00 N ATOM 850 CA ASP A 53 1.955 5.582 -16.605 1.00 0.00 C ATOM 851 C ASP A 53 1.601 6.918 -15.964 1.00 0.00 C ATOM 852 O ASP A 53 1.000 7.782 -16.602 1.00 0.00 O ATOM 853 CB ASP A 53 1.099 4.472 -15.987 1.00 0.00 C ATOM 854 CG ASP A 53 -0.374 4.585 -16.356 1.00 0.00 C ATOM 855 OD1 ASP A 53 -0.670 4.646 -17.526 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.188 4.609 -15.464 1.00 0.00 O1- ATOM 0 H ASP A 53 3.576 4.301 -16.249 1.00 0.00 H new ATOM 0 HA ASP A 53 1.747 5.644 -17.673 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.477 3.504 -16.314 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.200 4.503 -14.902 1.00 0.00 H new ATOM 861 N VAL A 54 1.978 7.082 -14.700 1.00 0.00 N ATOM 862 CA VAL A 54 1.845 8.364 -14.021 1.00 0.00 C ATOM 863 C VAL A 54 2.684 9.438 -14.702 1.00 0.00 C ATOM 864 O VAL A 54 2.219 10.557 -14.921 1.00 0.00 O ATOM 865 CB VAL A 54 2.276 8.236 -12.548 1.00 0.00 C ATOM 866 CG1 VAL A 54 2.427 9.612 -11.916 1.00 0.00 C ATOM 867 CG2 VAL A 54 1.263 7.399 -11.782 1.00 0.00 C ATOM 0 H VAL A 54 2.379 6.341 -14.125 1.00 0.00 H new ATOM 0 HA VAL A 54 0.796 8.658 -14.070 1.00 0.00 H new ATOM 0 HB VAL A 54 3.244 7.736 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.732 9.503 -10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.183 10.180 -12.458 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.474 10.140 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.575 7.313 -10.741 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.285 7.878 -11.829 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.202 6.405 -12.226 1.00 0.00 H new ATOM 877 N LEU A 55 3.923 9.091 -15.034 1.00 0.00 N ATOM 878 CA LEU A 55 4.911 10.080 -15.448 1.00 0.00 C ATOM 879 C LEU A 55 4.863 10.311 -16.952 1.00 0.00 C ATOM 880 O LEU A 55 5.690 11.036 -17.505 1.00 0.00 O ATOM 881 CB LEU A 55 6.318 9.628 -15.037 1.00 0.00 C ATOM 882 CG LEU A 55 6.503 9.300 -13.549 1.00 0.00 C ATOM 883 CD1 LEU A 55 7.918 8.789 -13.314 1.00 0.00 C ATOM 884 CD2 LEU A 55 6.225 10.543 -12.717 1.00 0.00 C ATOM 0 H LEU A 55 4.267 8.131 -15.024 1.00 0.00 H new ATOM 0 HA LEU A 55 4.673 11.019 -14.949 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.581 8.746 -15.620 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.025 10.412 -15.308 1.00 0.00 H new ATOM 0 HG LEU A 55 5.802 8.521 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.050 8.556 -12.257 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.083 7.890 -13.907 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.635 9.555 -13.609 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.356 10.310 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.917 11.335 -13.003 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.202 10.876 -12.891 1.00 0.00 H new ATOM 896 N SER A 56 3.892 9.688 -17.611 1.00 0.00 N ATOM 897 CA SER A 56 3.637 9.944 -19.023 1.00 0.00 C ATOM 898 C SER A 56 2.191 10.365 -19.255 1.00 0.00 C ATOM 899 O SER A 56 1.902 11.163 -20.146 1.00 0.00 O ATOM 900 CB SER A 56 3.951 8.708 -19.843 1.00 0.00 C ATOM 901 OG SER A 56 3.130 7.636 -19.470 1.00 0.00 O ATOM 0 H SER A 56 3.268 9.001 -17.188 1.00 0.00 H new ATOM 0 HA SER A 56 4.285 10.761 -19.338 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.813 8.925 -20.902 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.997 8.434 -19.708 1.00 0.00 H new ATOM 0 HG SER A 56 3.269 7.432 -18.522 1.00 0.00 H new ATOM 907 N ASP A 57 1.287 9.824 -18.447 1.00 0.00 N ATOM 908 CA ASP A 57 -0.141 10.057 -18.630 1.00 0.00 C ATOM 909 C ASP A 57 -0.685 11.002 -17.566 1.00 0.00 C ATOM 910 O ASP A 57 -0.700 10.674 -16.380 1.00 0.00 O ATOM 911 CB ASP A 57 -0.910 8.735 -18.587 1.00 0.00 C ATOM 912 CG ASP A 57 -2.367 8.883 -19.006 1.00 0.00 C ATOM 913 OD1 ASP A 57 -2.893 9.964 -18.886 1.00 0.00 O ATOM 914 OD2 ASP A 57 -2.940 7.914 -19.444 1.00 0.00 O1- ATOM 0 H ASP A 57 1.518 9.220 -17.658 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.278 10.520 -19.607 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.420 8.014 -19.242 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.867 8.328 -17.577 1.00 0.00 H new ATOM 919 N PRO A 58 -1.130 12.177 -17.999 1.00 0.00 N ATOM 920 CA PRO A 58 -1.562 13.220 -17.075 1.00 0.00 C ATOM 921 C PRO A 58 -2.709 12.739 -16.197 1.00 0.00 C ATOM 922 O PRO A 58 -2.960 13.293 -15.128 1.00 0.00 O ATOM 923 CB PRO A 58 -2.002 14.349 -18.012 1.00 0.00 C ATOM 924 CG PRO A 58 -1.168 14.158 -19.233 1.00 0.00 C ATOM 925 CD PRO A 58 -1.078 12.664 -19.395 1.00 0.00 C ATOM 0 HA PRO A 58 -0.784 13.527 -16.376 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.065 14.284 -18.242 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.832 15.328 -17.563 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.627 14.625 -20.104 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.181 14.605 -19.114 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.902 12.272 -19.991 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.155 12.366 -19.893 1.00 0.00 H new ATOM 933 N ARG A 59 -3.404 11.703 -16.655 1.00 0.00 N ATOM 934 CA ARG A 59 -4.632 11.258 -16.009 1.00 0.00 C ATOM 935 C ARG A 59 -4.338 10.551 -14.693 1.00 0.00 C ATOM 936 O ARG A 59 -5.178 10.517 -13.793 1.00 0.00 O ATOM 937 CB ARG A 59 -5.409 10.320 -16.922 1.00 0.00 C ATOM 938 CG ARG A 59 -5.994 10.975 -18.163 1.00 0.00 C ATOM 939 CD ARG A 59 -6.723 9.995 -19.009 1.00 0.00 C ATOM 940 NE ARG A 59 -5.832 8.986 -19.559 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.236 7.919 -20.277 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.515 7.737 -20.523 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.346 7.056 -20.735 1.00 0.00 N ATOM 0 H ARG A 59 -3.136 11.155 -17.473 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.233 12.144 -15.805 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.749 9.510 -17.233 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.220 9.869 -16.350 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.672 11.776 -17.867 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.194 11.433 -18.744 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.499 9.510 -18.417 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.224 10.519 -19.823 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.832 9.093 -19.390 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.202 8.403 -20.170 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.820 6.929 -21.066 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.354 7.197 -20.545 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.651 6.249 -21.278 1.00 0.00 H new ATOM 957 N LYS A 60 -3.139 9.988 -14.584 1.00 0.00 N ATOM 958 CA LYS A 60 -2.674 9.412 -13.329 1.00 0.00 C ATOM 959 C LYS A 60 -1.607 10.287 -12.684 1.00 0.00 C ATOM 960 O LYS A 60 -1.233 10.078 -11.529 1.00 0.00 O ATOM 961 CB LYS A 60 -2.131 8.001 -13.555 1.00 0.00 C ATOM 962 CG LYS A 60 -3.107 7.053 -14.240 1.00 0.00 C ATOM 963 CD LYS A 60 -4.417 6.959 -13.471 1.00 0.00 C ATOM 964 CE LYS A 60 -5.334 5.902 -14.065 1.00 0.00 C ATOM 965 NZ LYS A 60 -6.641 5.837 -13.358 1.00 0.00 N1+ ATOM 0 H LYS A 60 -2.471 9.919 -15.352 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.526 9.358 -12.651 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.224 8.066 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.846 7.576 -12.593 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.302 7.399 -15.255 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.659 6.063 -14.322 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.212 6.720 -12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.918 7.927 -13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.503 6.120 -15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.846 4.929 -14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.236 5.104 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.483 5.604 -12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.120 6.758 -13.428 1.00 0.00 H new ATOM 979 N ARG A 61 -1.118 11.267 -13.435 1.00 0.00 N ATOM 980 CA ARG A 61 -0.201 12.263 -12.895 1.00 0.00 C ATOM 981 C ARG A 61 -0.849 13.055 -11.767 1.00 0.00 C ATOM 982 O ARG A 61 -0.352 13.069 -10.641 1.00 0.00 O ATOM 983 CB ARG A 61 0.254 13.221 -13.987 1.00 0.00 C ATOM 984 CG ARG A 61 1.258 14.271 -13.539 1.00 0.00 C ATOM 985 CD ARG A 61 1.712 15.115 -14.674 1.00 0.00 C ATOM 986 NE ARG A 61 2.647 16.144 -14.244 1.00 0.00 N ATOM 987 CZ ARG A 61 3.277 16.999 -15.072 1.00 0.00 C ATOM 988 NH1 ARG A 61 3.062 16.937 -16.368 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 4.109 17.902 -14.583 1.00 0.00 N ATOM 0 H ARG A 61 -1.342 11.393 -14.422 1.00 0.00 H new ATOM 0 HA ARG A 61 0.663 11.730 -12.498 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.694 12.641 -14.799 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.621 13.727 -14.395 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.807 14.902 -12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.118 13.781 -13.083 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.186 14.486 -15.428 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.849 15.583 -15.147 1.00 0.00 H new ATOM 0 HE ARG A 61 2.839 16.223 -13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.418 16.242 -16.745 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.539 17.584 -16.996 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.274 17.952 -13.578 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.586 18.549 -15.211 1.00 0.00 H new ATOM 1003 N GLU A 62 -1.960 13.713 -12.076 1.00 0.00 N ATOM 1004 CA GLU A 62 -2.690 14.492 -11.082 1.00 0.00 C ATOM 1005 C GLU A 62 -3.008 13.655 -9.851 1.00 0.00 C ATOM 1006 O GLU A 62 -2.940 14.143 -8.722 1.00 0.00 O ATOM 1007 CB GLU A 62 -3.984 15.044 -11.684 1.00 0.00 C ATOM 1008 CG GLU A 62 -4.807 15.899 -10.730 1.00 0.00 C ATOM 1009 CD GLU A 62 -6.050 16.454 -11.365 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -6.254 16.220 -12.533 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -6.800 17.112 -10.683 1.00 0.00 O1- ATOM 0 H GLU A 62 -2.376 13.723 -13.007 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.054 15.323 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.737 15.638 -12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.597 14.209 -12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.085 15.301 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.192 16.722 -10.366 1.00 0.00 H new ATOM 1018 N ILE A 63 -3.356 12.392 -10.074 1.00 0.00 N ATOM 1019 CA ILE A 63 -3.777 11.511 -8.991 1.00 0.00 C ATOM 1020 C ILE A 63 -2.602 11.136 -8.097 1.00 0.00 C ATOM 1021 O ILE A 63 -2.551 11.519 -6.929 1.00 0.00 O ATOM 1022 CB ILE A 63 -4.431 10.232 -9.546 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -5.753 10.566 -10.241 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -4.652 9.221 -8.432 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -6.337 9.415 -11.028 1.00 0.00 C ATOM 0 H ILE A 63 -3.355 11.955 -10.996 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.510 12.056 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.758 9.790 -10.281 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.477 10.885 -9.491 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.597 11.410 -10.912 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.115 8.323 -8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.694 8.962 -7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.305 9.652 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.273 9.729 -11.491 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.633 9.109 -11.802 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.527 8.576 -10.359 1.00 0.00 H new ATOM 1037 N PHE A 64 -1.658 10.384 -8.654 1.00 0.00 N ATOM 1038 CA PHE A 64 -0.411 10.082 -7.963 1.00 0.00 C ATOM 1039 C PHE A 64 0.135 11.313 -7.250 1.00 0.00 C ATOM 1040 O PHE A 64 0.350 11.297 -6.038 1.00 0.00 O ATOM 1041 CB PHE A 64 0.631 9.553 -8.947 1.00 0.00 C ATOM 1042 CG PHE A 64 1.951 9.217 -8.311 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.238 7.918 -7.921 1.00 0.00 C ATOM 1044 CD2 PHE A 64 2.906 10.200 -8.100 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.452 7.608 -7.336 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.120 9.893 -7.517 1.00 0.00 C ATOM 1047 CZ PHE A 64 4.392 8.595 -7.134 1.00 0.00 C ATOM 0 H PHE A 64 -1.734 9.972 -9.584 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.623 9.315 -7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.236 8.662 -9.435 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.793 10.298 -9.726 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.505 7.140 -8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.698 11.218 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.663 6.592 -7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.856 10.668 -7.361 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.340 8.353 -6.677 1.00 0.00 H new ATOM 1057 N ASP A 65 0.357 12.380 -8.009 1.00 0.00 N ATOM 1058 CA ASP A 65 0.932 13.604 -7.463 1.00 0.00 C ATOM 1059 C ASP A 65 0.122 14.111 -6.277 1.00 0.00 C ATOM 1060 O ASP A 65 0.681 14.506 -5.254 1.00 0.00 O ATOM 1061 CB ASP A 65 1.006 14.689 -8.540 1.00 0.00 C ATOM 1062 CG ASP A 65 2.107 14.436 -9.562 1.00 0.00 C ATOM 1063 OD1 ASP A 65 2.930 13.585 -9.320 1.00 0.00 O ATOM 1064 OD2 ASP A 65 2.114 15.096 -10.572 1.00 0.00 O1- ATOM 0 H ASP A 65 0.147 12.422 -9.006 1.00 0.00 H new ATOM 0 HA ASP A 65 1.940 13.371 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.047 14.749 -9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.174 15.655 -8.064 1.00 0.00 H new ATOM 1069 N ARG A 66 -1.199 14.100 -6.421 1.00 0.00 N ATOM 1070 CA ARG A 66 -2.082 14.728 -5.446 1.00 0.00 C ATOM 1071 C ARG A 66 -2.314 13.817 -4.247 1.00 0.00 C ATOM 1072 O ARG A 66 -2.607 14.284 -3.147 1.00 0.00 O ATOM 1073 CB ARG A 66 -3.420 15.077 -6.081 1.00 0.00 C ATOM 1074 CG ARG A 66 -4.385 15.821 -5.171 1.00 0.00 C ATOM 1075 CD ARG A 66 -5.578 16.303 -5.912 1.00 0.00 C ATOM 1076 NE ARG A 66 -6.516 16.992 -5.041 1.00 0.00 N ATOM 1077 CZ ARG A 66 -7.668 17.557 -5.452 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -8.009 17.507 -6.721 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -8.455 18.162 -4.579 1.00 0.00 N ATOM 0 H ARG A 66 -1.682 13.662 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.595 15.641 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.238 15.684 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.897 14.157 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.701 15.164 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.874 16.668 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.262 16.975 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.077 15.458 -6.386 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.286 17.052 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.401 17.040 -7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.881 17.935 -7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.190 18.201 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.327 18.590 -4.890 1.00 0.00 H new ATOM 1093 N TYR A 67 -2.184 12.513 -4.467 1.00 0.00 N ATOM 1094 CA TYR A 67 -2.517 11.526 -3.447 1.00 0.00 C ATOM 1095 C TYR A 67 -1.361 10.562 -3.214 1.00 0.00 C ATOM 1096 O TYR A 67 -0.879 10.414 -2.091 1.00 0.00 O ATOM 1097 CB TYR A 67 -3.780 10.756 -3.840 1.00 0.00 C ATOM 1098 CG TYR A 67 -5.000 11.632 -4.014 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -5.501 11.879 -5.284 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -5.618 12.188 -2.904 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -6.616 12.680 -5.443 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -6.733 12.989 -3.062 1.00 0.00 C ATOM 1103 CZ TYR A 67 -7.231 13.235 -4.326 1.00 0.00 C ATOM 1104 OH TYR A 67 -8.342 14.032 -4.484 1.00 0.00 O ATOM 0 H TYR A 67 -1.850 12.115 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.705 12.059 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.593 10.221 -4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.989 10.006 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.020 11.445 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.228 11.995 -1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.008 12.874 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.214 13.422 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.651 14.340 -3.606 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.920 9.906 -4.283 1.00 0.00 N ATOM 1115 CA GLY A 68 0.243 9.030 -4.218 1.00 0.00 C ATOM 1116 C GLY A 68 -0.071 7.654 -4.793 1.00 0.00 C ATOM 1117 O GLY A 68 -0.867 7.527 -5.725 1.00 0.00 O ATOM 0 H GLY A 68 -1.352 9.965 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.070 9.477 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.568 8.929 -3.183 1.00 0.00 H new ATOM 1121 N GLU A 69 0.559 6.626 -4.234 1.00 0.00 N ATOM 1122 CA GLU A 69 0.367 5.261 -4.708 1.00 0.00 C ATOM 1123 C GLU A 69 -0.935 4.673 -4.178 1.00 0.00 C ATOM 1124 O GLU A 69 -1.703 4.069 -4.925 1.00 0.00 O ATOM 1125 CB GLU A 69 1.545 4.380 -4.286 1.00 0.00 C ATOM 1126 CG GLU A 69 2.861 4.721 -4.971 1.00 0.00 C ATOM 1127 CD GLU A 69 3.575 5.875 -4.324 1.00 0.00 C ATOM 1128 OE1 GLU A 69 3.074 6.389 -3.353 1.00 0.00 O ATOM 1129 OE2 GLU A 69 4.623 6.242 -4.801 1.00 0.00 O1- ATOM 0 H GLU A 69 1.207 6.713 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 69 0.313 5.290 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.678 4.464 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.299 3.339 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.510 3.845 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.669 4.959 -6.017 1.00 0.00 H new ATOM 1136 N GLU A 70 -1.176 4.853 -2.883 1.00 0.00 N ATOM 1137 CA GLU A 70 -2.329 4.247 -2.228 1.00 0.00 C ATOM 1138 C GLU A 70 -3.626 4.914 -2.667 1.00 0.00 C ATOM 1139 O GLU A 70 -4.698 4.313 -2.599 1.00 0.00 O ATOM 1140 CB GLU A 70 -2.187 4.339 -0.707 1.00 0.00 C ATOM 1141 CG GLU A 70 -1.060 3.494 -0.128 1.00 0.00 C ATOM 1142 CD GLU A 70 -0.927 3.638 1.362 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -1.581 4.487 1.919 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -0.171 2.897 1.945 1.00 0.00 O1- ATOM 0 H GLU A 70 -0.588 5.414 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.366 3.198 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.022 5.381 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.127 4.033 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.236 2.446 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.120 3.778 -0.601 1.00 0.00 H new ATOM 1151 N GLY A 71 -3.521 6.159 -3.119 1.00 0.00 N ATOM 1152 CA GLY A 71 -4.679 6.893 -3.616 1.00 0.00 C ATOM 1153 C GLY A 71 -4.937 6.585 -5.085 1.00 0.00 C ATOM 1154 O GLY A 71 -5.872 7.115 -5.686 1.00 0.00 O ATOM 0 H GLY A 71 -2.645 6.681 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.558 6.632 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.516 7.963 -3.489 1.00 0.00 H new ATOM 1158 N LEU A 72 -4.103 5.725 -5.660 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.279 5.295 -7.042 1.00 0.00 C ATOM 1160 C LEU A 72 -4.675 3.826 -7.115 1.00 0.00 C ATOM 1161 O LEU A 72 -5.238 3.374 -8.113 1.00 0.00 O ATOM 1162 CB LEU A 72 -2.986 5.522 -7.835 1.00 0.00 C ATOM 1163 CG LEU A 72 -2.995 5.011 -9.281 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -4.199 5.584 -10.015 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -1.695 5.407 -9.967 1.00 0.00 C ATOM 0 H LEU A 72 -3.298 5.312 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.081 5.890 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.772 6.591 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.166 5.039 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.072 3.924 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.205 5.221 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.114 5.270 -9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.141 6.672 -10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.701 5.044 -10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.599 6.493 -9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.853 4.968 -9.432 1.00 0.00 H new ATOM 1177 N LYS A 73 -4.380 3.085 -6.053 1.00 0.00 N ATOM 1178 CA LYS A 73 -4.856 1.713 -5.920 1.00 0.00 C ATOM 1179 C LYS A 73 -6.213 1.665 -5.229 1.00 0.00 C ATOM 1180 O LYS A 73 -7.029 0.784 -5.503 1.00 0.00 O ATOM 1181 CB LYS A 73 -3.843 0.867 -5.147 1.00 0.00 C ATOM 1182 CG LYS A 73 -4.237 -0.596 -4.986 1.00 0.00 C ATOM 1183 CD LYS A 73 -3.140 -1.389 -4.293 1.00 0.00 C ATOM 1184 CE LYS A 73 -3.528 -2.853 -4.140 1.00 0.00 C ATOM 1185 NZ LYS A 73 -2.477 -3.637 -3.437 1.00 0.00 N1+ ATOM 0 H LYS A 73 -3.813 3.412 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.969 1.301 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.881 0.918 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.703 1.304 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.159 -0.665 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.440 -1.030 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.216 -1.313 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.942 -0.959 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.464 -2.924 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.706 -3.286 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.781 -4.628 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.590 -3.591 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.325 -3.241 -2.488 1.00 0.00 H new ATOM 1199 N GLY A 74 -6.449 2.617 -4.334 1.00 0.00 N ATOM 1200 CA GLY A 74 -7.685 2.650 -3.559 1.00 0.00 C ATOM 1201 C GLY A 74 -7.481 2.047 -2.174 1.00 0.00 C ATOM 1202 O GLY A 74 -8.397 1.455 -1.604 1.00 0.00 O ATOM 0 H GLY A 74 -5.801 3.377 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.031 3.679 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.464 2.100 -4.087 1.00 0.00 H new ATOM 1371 N SER A 91 -6.469 -3.756 -8.594 1.00 0.00 N ATOM 1372 CA SER A 91 -5.032 -3.516 -8.539 1.00 0.00 C ATOM 1373 C SER A 91 -4.659 -2.229 -9.263 1.00 0.00 C ATOM 1374 O SER A 91 -5.514 -1.568 -9.853 1.00 0.00 O ATOM 1375 CB SER A 91 -4.283 -4.685 -9.151 1.00 0.00 C ATOM 1376 OG SER A 91 -4.474 -4.731 -10.538 1.00 0.00 O ATOM 0 HA SER A 91 -4.750 -3.413 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.219 -4.597 -8.929 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.626 -5.617 -8.702 1.00 0.00 H new ATOM 0 HG SER A 91 -3.981 -5.491 -10.911 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.379 -1.877 -9.213 1.00 0.00 N ATOM 1383 CA TYR A 92 -2.855 -0.783 -10.020 1.00 0.00 C ATOM 1384 C TYR A 92 -3.207 -0.964 -11.491 1.00 0.00 C ATOM 1385 O TYR A 92 -3.337 -2.089 -11.974 1.00 0.00 O ATOM 1386 CB TYR A 92 -1.337 -0.671 -9.850 1.00 0.00 C ATOM 1387 CG TYR A 92 -0.911 -0.195 -8.478 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -0.378 -1.093 -7.566 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -1.052 1.142 -8.135 1.00 0.00 C ATOM 1390 CE1 TYR A 92 0.011 -0.657 -6.314 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -0.663 1.578 -6.883 1.00 0.00 C ATOM 1392 CZ TYR A 92 -0.134 0.684 -5.975 1.00 0.00 C ATOM 1393 OH TYR A 92 0.254 1.117 -4.728 1.00 0.00 O ATOM 0 H TYR A 92 -2.685 -2.334 -8.621 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.319 0.140 -9.672 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.886 -1.644 -10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.946 0.016 -10.601 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.267 -2.133 -7.834 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.466 1.842 -8.846 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.426 -1.355 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.773 2.618 -6.615 1.00 0.00 H new ATOM 0 HH TYR A 92 0.994 0.562 -4.404 1.00 0.00 H new ATOM 1403 N THR A 93 -3.364 0.150 -12.199 1.00 0.00 N ATOM 1404 CA THR A 93 -3.747 0.116 -13.605 1.00 0.00 C ATOM 1405 C THR A 93 -2.602 -0.381 -14.477 1.00 0.00 C ATOM 1406 O THR A 93 -2.017 0.383 -15.244 1.00 0.00 O ATOM 1407 CB THR A 93 -4.201 1.506 -14.089 1.00 0.00 C ATOM 1408 OG1 THR A 93 -5.363 1.914 -13.357 1.00 0.00 O ATOM 1409 CG2 THR A 93 -4.528 1.473 -15.574 1.00 0.00 C ATOM 0 H THR A 93 -3.232 1.088 -11.821 1.00 0.00 H new ATOM 0 HA THR A 93 -4.582 -0.579 -13.695 1.00 0.00 H new ATOM 0 HB THR A 93 -3.390 2.215 -13.921 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.649 2.799 -13.665 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.847 2.464 -15.898 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.642 1.175 -16.135 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.330 0.757 -15.754 1.00 0.00 H new ATOM 1486 N HIS A 99 3.968 0.509 -22.651 1.00 0.00 N ATOM 1487 CA HIS A 99 4.971 -0.241 -23.396 1.00 0.00 C ATOM 1488 C HIS A 99 4.760 -0.102 -24.898 1.00 0.00 C ATOM 1489 O HIS A 99 5.691 -0.273 -25.685 1.00 0.00 O ATOM 1490 CB HIS A 99 4.943 -1.722 -23.005 1.00 0.00 C ATOM 1491 CG HIS A 99 5.945 -2.557 -23.741 1.00 0.00 C ATOM 1492 ND1 HIS A 99 7.305 -2.417 -23.565 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.783 -3.543 -24.655 1.00 0.00 C ATOM 1494 CE1 HIS A 99 7.938 -3.281 -24.338 1.00 0.00 C ATOM 1495 NE2 HIS A 99 7.037 -3.975 -25.010 1.00 0.00 N ATOM 0 HA HIS A 99 5.946 0.175 -23.143 1.00 0.00 H new ATOM 0 HB2 HIS A 99 5.126 -1.810 -21.934 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.945 -2.119 -23.191 1.00 0.00 H new ATOM 0 HD2 HIS A 99 4.844 -3.919 -25.034 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.009 -3.400 -24.409 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.240 -4.713 -25.684 1.00 0.00 H new ATOM 1502 N ALA A 100 3.528 0.207 -25.291 1.00 0.00 N ATOM 1503 CA ALA A 100 3.231 0.561 -26.674 1.00 0.00 C ATOM 1504 C ALA A 100 3.847 1.905 -27.043 1.00 0.00 C ATOM 1505 O ALA A 100 4.515 2.031 -28.069 1.00 0.00 O ATOM 1506 CB ALA A 100 1.727 0.589 -26.901 1.00 0.00 C ATOM 0 H ALA A 100 2.719 0.219 -24.670 1.00 0.00 H new ATOM 0 HA ALA A 100 3.671 -0.200 -27.318 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.520 0.855 -27.938 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.309 -0.395 -26.688 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.273 1.327 -26.240 1.00 0.00 H new ATOM 1512 N MET A 101 3.619 2.906 -26.201 1.00 0.00 N ATOM 1513 CA MET A 101 4.249 4.209 -26.371 1.00 0.00 C ATOM 1514 C MET A 101 5.766 4.103 -26.285 1.00 0.00 C ATOM 1515 O MET A 101 6.489 4.819 -26.980 1.00 0.00 O ATOM 1516 CB MET A 101 3.724 5.191 -25.324 1.00 0.00 C ATOM 1517 CG MET A 101 2.282 5.631 -25.542 1.00 0.00 C ATOM 1518 SD MET A 101 1.832 7.060 -24.537 1.00 0.00 S ATOM 1519 CE MET A 101 1.858 6.342 -22.897 1.00 0.00 C ATOM 0 H MET A 101 3.001 2.840 -25.392 1.00 0.00 H new ATOM 0 HA MET A 101 3.994 4.581 -27.364 1.00 0.00 H new ATOM 0 HB2 MET A 101 3.806 4.731 -24.339 1.00 0.00 H new ATOM 0 HB3 MET A 101 4.364 6.074 -25.318 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.135 5.871 -26.595 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.614 4.802 -25.308 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.514 7.079 -22.172 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.201 5.472 -22.870 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.875 6.037 -22.650 1.00 0.00 H new ATOM 1529 N PHE A 102 6.244 3.207 -25.429 1.00 0.00 N ATOM 1530 CA PHE A 102 7.667 2.896 -25.359 1.00 0.00 C ATOM 1531 C PHE A 102 8.180 2.365 -26.692 1.00 0.00 C ATOM 1532 O PHE A 102 9.204 2.822 -27.201 1.00 0.00 O ATOM 1533 CB PHE A 102 7.936 1.870 -24.258 1.00 0.00 C ATOM 1534 CG PHE A 102 9.356 1.378 -24.222 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.388 2.221 -23.835 1.00 0.00 C ATOM 1536 CD2 PHE A 102 9.662 0.072 -24.575 1.00 0.00 C ATOM 1537 CE1 PHE A 102 11.693 1.769 -23.802 1.00 0.00 C ATOM 1538 CE2 PHE A 102 10.966 -0.382 -24.542 1.00 0.00 C ATOM 1539 CZ PHE A 102 11.982 0.468 -24.156 1.00 0.00 C ATOM 0 H PHE A 102 5.666 2.682 -24.773 1.00 0.00 H new ATOM 0 HA PHE A 102 8.198 3.819 -25.127 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.690 2.313 -23.293 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.270 1.019 -24.397 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.169 3.241 -23.557 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.871 -0.598 -24.879 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.487 2.435 -23.499 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.190 -1.402 -24.818 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.002 0.115 -24.131 1.00 0.00 H new ATOM 1549 N ALA A 103 7.464 1.397 -27.252 1.00 0.00 N ATOM 1550 CA ALA A 103 7.788 0.870 -28.573 1.00 0.00 C ATOM 1551 C ALA A 103 7.841 1.984 -29.612 1.00 0.00 C ATOM 1552 O ALA A 103 8.616 1.919 -30.566 1.00 0.00 O ATOM 1553 CB ALA A 103 6.775 -0.189 -28.984 1.00 0.00 C ATOM 0 H ALA A 103 6.654 0.960 -26.812 1.00 0.00 H new ATOM 0 HA ALA A 103 8.775 0.411 -28.520 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.030 -0.573 -29.972 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.790 -1.006 -28.263 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.779 0.252 -29.012 1.00 0.00 H new ATOM 1559 N GLU A 104 7.012 3.004 -29.421 1.00 0.00 N ATOM 1560 CA GLU A 104 7.019 4.171 -30.295 1.00 0.00 C ATOM 1561 C GLU A 104 8.204 5.078 -29.993 1.00 0.00 C ATOM 1562 O GLU A 104 8.863 5.580 -30.904 1.00 0.00 O ATOM 1563 CB GLU A 104 5.713 4.956 -30.149 1.00 0.00 C ATOM 1564 CG GLU A 104 4.484 4.235 -30.684 1.00 0.00 C ATOM 1565 CD GLU A 104 3.206 4.979 -30.413 1.00 0.00 C ATOM 1566 OE1 GLU A 104 3.228 5.890 -29.620 1.00 0.00 O ATOM 1567 OE2 GLU A 104 2.206 4.634 -30.998 1.00 0.00 O1- ATOM 0 H GLU A 104 6.326 3.046 -28.668 1.00 0.00 H new ATOM 0 HA GLU A 104 7.111 3.817 -31.322 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.556 5.183 -29.095 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.816 5.909 -30.669 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.593 4.090 -31.759 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.425 3.245 -30.233 1.00 0.00 H new ATOM 1574 N PHE A 105 8.471 5.286 -28.707 1.00 0.00 N ATOM 1575 CA PHE A 105 9.518 6.206 -28.281 1.00 0.00 C ATOM 1576 C PHE A 105 10.902 5.653 -28.597 1.00 0.00 C ATOM 1577 O PHE A 105 11.691 6.289 -29.293 1.00 0.00 O ATOM 1578 CB PHE A 105 9.406 6.486 -26.782 1.00 0.00 C ATOM 1579 CG PHE A 105 8.165 7.240 -26.397 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.533 8.075 -27.307 1.00 0.00 C ATOM 1581 CD2 PHE A 105 7.626 7.116 -25.125 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.391 8.769 -26.953 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.484 7.807 -24.770 1.00 0.00 C ATOM 1584 CZ PHE A 105 5.867 8.634 -25.686 1.00 0.00 C ATOM 0 H PHE A 105 7.975 4.829 -27.942 1.00 0.00 H new ATOM 0 HA PHE A 105 9.384 7.137 -28.832 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.427 5.539 -26.242 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.279 7.054 -26.462 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.937 8.184 -28.302 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.105 6.471 -24.403 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.909 9.417 -27.670 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.074 7.700 -23.776 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.974 9.175 -25.410 1.00 0.00 H new ATOM 1594 N PHE A 106 11.189 4.462 -28.080 1.00 0.00 N ATOM 1595 CA PHE A 106 12.538 3.911 -28.129 1.00 0.00 C ATOM 1596 C PHE A 106 12.580 2.625 -28.943 1.00 0.00 C ATOM 1597 O PHE A 106 13.597 2.300 -29.555 1.00 0.00 O ATOM 1598 CB PHE A 106 13.055 3.641 -26.713 1.00 0.00 C ATOM 1599 CG PHE A 106 13.144 4.871 -25.856 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.167 5.147 -24.910 1.00 0.00 C ATOM 1601 CD2 PHE A 106 14.204 5.755 -25.992 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.248 6.278 -24.121 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.288 6.887 -25.204 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.309 7.148 -24.267 1.00 0.00 C ATOM 0 H PHE A 106 10.504 3.860 -27.622 1.00 0.00 H new ATOM 0 HA PHE A 106 13.179 4.647 -28.614 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.399 2.918 -26.228 1.00 0.00 H new ATOM 0 HB3 PHE A 106 14.042 3.182 -26.778 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.334 4.470 -24.789 1.00 0.00 H new ATOM 0 HD2 PHE A 106 14.974 5.556 -26.723 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.480 6.481 -23.389 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.119 7.567 -25.321 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.373 8.032 -23.649 1.00 0.00 H new ATOM 1614 N GLY A 107 11.468 1.898 -28.948 1.00 0.00 N ATOM 1615 CA GLY A 107 11.344 0.695 -29.763 1.00 0.00 C ATOM 1616 C GLY A 107 12.099 -0.472 -29.141 1.00 0.00 C ATOM 1617 O GLY A 107 12.544 -1.381 -29.843 1.00 0.00 O ATOM 0 H GLY A 107 10.639 2.121 -28.397 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.291 0.434 -29.872 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.730 0.889 -30.764 1.00 0.00 H new ATOM 1621 N GLY A 108 12.242 -0.442 -27.821 1.00 0.00 N ATOM 1622 CA GLY A 108 12.960 -1.489 -27.104 1.00 0.00 C ATOM 1623 C GLY A 108 14.447 -1.463 -27.433 1.00 0.00 C ATOM 1624 O GLY A 108 15.095 -2.507 -27.508 1.00 0.00 O ATOM 0 H GLY A 108 11.870 0.297 -27.225 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.820 -1.360 -26.031 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.544 -2.462 -27.365 1.00 0.00 H new