USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 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 -56:sc= 1.1 USER MOD Set 1.2: A 101 MET CE :methyl -176:sc= 0 (180deg=-0.0191) USER MOD Set 2.1: A 60 LYS NZ :NH3+ -125:sc= 0.0383! (180deg=0) USER MOD Set 2.2: A 93 THR OG1 : rot 31:sc= 0.94! USER MOD Single : A 5 TYR OH : rot 0:sc=-4.7e-05 USER MOD Single : A 6 TYR OH : rot -63:sc= 1.21 USER MOD Single : A 7 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 8 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 16 SER OG : rot 180:sc= 0.12 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 150:sc= -0.428 USER MOD Single : A 27 GLN : amide:sc= -0.292 K(o=-0.29,f=-4!) USER MOD Single : A 31 TYR OH : rot 50:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.481 K(o=0.48,f=-7.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.987 K(o=-0.99,f=-7.3!) 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+ 177:sc= 1 (180deg=0.996) USER MOD Single : A 52 TYR OH : rot 174:sc= 0.217 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= 0.689 USER MOD Single : A 92 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 8.166 3.576 -3.883 1.00 0.00 N ATOM 50 CA ASP A 4 7.107 3.903 -4.830 1.00 0.00 C ATOM 51 C ASP A 4 7.651 4.022 -6.248 1.00 0.00 C ATOM 52 O ASP A 4 8.727 3.508 -6.555 1.00 0.00 O ATOM 53 CB ASP A 4 6.414 5.208 -4.432 1.00 0.00 C ATOM 54 CG ASP A 4 7.328 6.421 -4.542 1.00 0.00 C ATOM 55 OD1 ASP A 4 8.287 6.353 -5.274 1.00 0.00 O ATOM 56 OD2 ASP A 4 7.060 7.403 -3.893 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.381 3.090 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.541 5.358 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.052 5.124 -3.407 1.00 0.00 H new ATOM 61 N TYR A 5 6.904 4.703 -7.109 1.00 0.00 N ATOM 62 CA TYR A 5 7.170 4.679 -8.541 1.00 0.00 C ATOM 63 C TYR A 5 8.497 5.354 -8.866 1.00 0.00 C ATOM 64 O TYR A 5 9.124 5.055 -9.882 1.00 0.00 O ATOM 65 CB TYR A 5 6.030 5.353 -9.310 1.00 0.00 C ATOM 66 CG TYR A 5 4.691 4.671 -9.135 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.573 3.577 -8.291 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.579 5.143 -9.818 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.351 2.956 -8.132 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.356 4.520 -9.659 1.00 0.00 C ATOM 71 CZ TYR A 5 2.240 3.432 -8.819 1.00 0.00 C ATOM 72 OH TYR A 5 1.021 2.813 -8.660 1.00 0.00 O ATOM 0 H TYR A 5 6.107 5.280 -6.839 1.00 0.00 H new ATOM 0 HA TYR A 5 7.235 3.636 -8.851 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.945 6.389 -8.982 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.281 5.374 -10.370 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.438 3.211 -7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.669 5.997 -10.473 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.258 2.103 -7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.491 4.885 -10.192 1.00 0.00 H new ATOM 0 HH TYR A 5 1.114 2.063 -8.036 1.00 0.00 H new ATOM 82 N TYR A 6 8.919 6.266 -7.997 1.00 0.00 N ATOM 83 CA TYR A 6 10.165 6.996 -8.197 1.00 0.00 C ATOM 84 C TYR A 6 11.371 6.137 -7.838 1.00 0.00 C ATOM 85 O TYR A 6 12.422 6.231 -8.470 1.00 0.00 O ATOM 86 CB TYR A 6 10.168 8.285 -7.372 1.00 0.00 C ATOM 87 CG TYR A 6 9.203 9.335 -7.878 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.457 10.081 -6.977 1.00 0.00 C ATOM 89 CD2 TYR A 6 9.064 9.551 -9.241 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.576 11.041 -7.439 1.00 0.00 C ATOM 91 CE2 TYR A 6 8.183 10.510 -9.701 1.00 0.00 C ATOM 92 CZ TYR A 6 7.440 11.252 -8.806 1.00 0.00 C ATOM 93 OH TYR A 6 6.563 12.207 -9.266 1.00 0.00 O ATOM 0 H TYR A 6 8.416 6.517 -7.146 1.00 0.00 H new ATOM 0 HA TYR A 6 10.236 7.254 -9.254 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.920 8.045 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.175 8.702 -7.369 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.564 9.912 -5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.644 8.970 -9.942 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.995 11.625 -6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.076 10.679 -10.762 1.00 0.00 H new ATOM 0 HH TYR A 6 5.650 11.965 -9.005 1.00 0.00 H new ATOM 103 N GLN A 7 11.211 5.298 -6.820 1.00 0.00 N ATOM 104 CA GLN A 7 12.246 4.341 -6.445 1.00 0.00 C ATOM 105 C GLN A 7 12.127 3.056 -7.256 1.00 0.00 C ATOM 106 O GLN A 7 13.071 2.271 -7.332 1.00 0.00 O ATOM 107 CB GLN A 7 12.166 4.025 -4.950 1.00 0.00 C ATOM 108 CG GLN A 7 12.391 5.225 -4.047 1.00 0.00 C ATOM 109 CD GLN A 7 13.762 5.845 -4.238 1.00 0.00 C ATOM 110 OE1 GLN A 7 14.786 5.163 -4.141 1.00 0.00 O ATOM 111 NE2 GLN A 7 13.791 7.145 -4.509 1.00 0.00 N ATOM 0 H GLN A 7 10.373 5.261 -6.239 1.00 0.00 H new ATOM 0 HA GLN A 7 13.213 4.794 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.187 3.599 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.906 3.261 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.625 5.975 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.275 4.920 -3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.920 7.671 -4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.684 7.618 -4.646 1.00 0.00 H new ATOM 120 N THR A 8 10.962 2.850 -7.859 1.00 0.00 N ATOM 121 CA THR A 8 10.773 1.756 -8.806 1.00 0.00 C ATOM 122 C THR A 8 11.341 2.109 -10.174 1.00 0.00 C ATOM 123 O THR A 8 11.863 1.246 -10.880 1.00 0.00 O ATOM 124 CB THR A 8 9.283 1.393 -8.942 1.00 0.00 C ATOM 125 OG1 THR A 8 8.759 1.022 -7.660 1.00 0.00 O ATOM 126 CG2 THR A 8 9.103 0.235 -9.912 1.00 0.00 C ATOM 0 H THR A 8 10.134 3.426 -7.709 1.00 0.00 H new ATOM 0 HA THR A 8 11.312 0.893 -8.415 1.00 0.00 H new ATOM 0 HB THR A 8 8.747 2.262 -9.324 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.660 1.822 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.044 -0.008 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.489 0.517 -10.891 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.647 -0.635 -9.545 1.00 0.00 H new ATOM 134 N LEU A 9 11.236 3.380 -10.543 1.00 0.00 N ATOM 135 CA LEU A 9 11.806 3.864 -11.795 1.00 0.00 C ATOM 136 C LEU A 9 13.313 4.054 -11.677 1.00 0.00 C ATOM 137 O LEU A 9 14.070 3.658 -12.563 1.00 0.00 O ATOM 138 CB LEU A 9 11.148 5.190 -12.199 1.00 0.00 C ATOM 139 CG LEU A 9 11.603 5.776 -13.542 1.00 0.00 C ATOM 140 CD1 LEU A 9 11.276 4.798 -14.661 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.920 7.117 -13.769 1.00 0.00 C ATOM 0 H LEU A 9 10.761 4.095 -9.992 1.00 0.00 H new ATOM 0 HA LEU A 9 11.613 3.114 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.069 5.043 -12.235 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.344 5.925 -11.418 1.00 0.00 H new ATOM 0 HG LEU A 9 12.681 5.937 -13.532 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.599 5.215 -15.615 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.793 3.855 -14.483 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.201 4.622 -14.688 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.243 7.533 -14.723 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.839 6.977 -13.782 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.188 7.802 -12.965 1.00 0.00 H new ATOM 153 N GLY A 10 13.743 4.662 -10.576 1.00 0.00 N ATOM 154 CA GLY A 10 15.165 4.823 -10.295 1.00 0.00 C ATOM 155 C GLY A 10 15.594 6.277 -10.442 1.00 0.00 C ATOM 156 O GLY A 10 16.658 6.568 -10.990 1.00 0.00 O ATOM 0 H GLY A 10 13.126 5.052 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.380 4.478 -9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.746 4.199 -10.975 1.00 0.00 H new ATOM 160 N LEU A 11 14.761 7.187 -9.949 1.00 0.00 N ATOM 161 CA LEU A 11 15.084 8.609 -9.962 1.00 0.00 C ATOM 162 C LEU A 11 14.725 9.268 -8.637 1.00 0.00 C ATOM 163 O LEU A 11 14.192 8.622 -7.736 1.00 0.00 O ATOM 164 CB LEU A 11 14.342 9.310 -11.107 1.00 0.00 C ATOM 165 CG LEU A 11 14.749 8.884 -12.523 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.809 9.524 -13.536 1.00 0.00 C ATOM 167 CD2 LEU A 11 16.191 9.292 -12.782 1.00 0.00 C ATOM 0 H LEU A 11 13.856 6.965 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 11 16.159 8.707 -10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.274 9.131 -10.987 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.498 10.385 -11.012 1.00 0.00 H new ATOM 0 HG LEU A 11 14.676 7.801 -12.621 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.098 9.221 -14.542 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.787 9.200 -13.339 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.868 10.609 -13.452 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.480 8.989 -13.788 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.286 10.374 -12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.843 8.806 -12.056 1.00 0.00 H new ATOM 179 N ALA A 12 15.020 10.559 -8.525 1.00 0.00 N ATOM 180 CA ALA A 12 14.489 11.375 -7.440 1.00 0.00 C ATOM 181 C ALA A 12 13.064 11.825 -7.737 1.00 0.00 C ATOM 182 O ALA A 12 12.661 11.921 -8.896 1.00 0.00 O ATOM 183 CB ALA A 12 15.385 12.579 -7.196 1.00 0.00 C ATOM 0 H ALA A 12 15.625 11.063 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 12 14.468 10.764 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.975 13.179 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.386 12.240 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.437 13.183 -8.102 1.00 0.00 H new ATOM 189 N ARG A 13 12.305 12.102 -6.681 1.00 0.00 N ATOM 190 CA ARG A 13 10.908 12.492 -6.824 1.00 0.00 C ATOM 191 C ARG A 13 10.777 13.815 -7.568 1.00 0.00 C ATOM 192 O ARG A 13 9.688 14.191 -7.999 1.00 0.00 O ATOM 193 CB ARG A 13 10.243 12.612 -5.461 1.00 0.00 C ATOM 194 CG ARG A 13 10.753 13.756 -4.600 1.00 0.00 C ATOM 195 CD ARG A 13 10.134 13.745 -3.249 1.00 0.00 C ATOM 196 NE ARG A 13 10.588 14.861 -2.435 1.00 0.00 N ATOM 197 CZ ARG A 13 11.719 14.864 -1.704 1.00 0.00 C ATOM 198 NH1 ARG A 13 12.500 13.807 -1.695 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 12.045 15.932 -0.996 1.00 0.00 N ATOM 0 H ARG A 13 12.635 12.063 -5.717 1.00 0.00 H new ATOM 0 HA ARG A 13 10.410 11.714 -7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.170 12.736 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.386 11.677 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.836 13.685 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.538 14.705 -5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.049 13.785 -3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.375 12.808 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 13 10.009 15.701 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.250 12.983 -2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.356 13.810 -1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.440 16.753 -1.004 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.902 15.935 -0.442 1.00 0.00 H new ATOM 213 N GLY A 14 11.896 14.519 -7.714 1.00 0.00 N ATOM 214 CA GLY A 14 11.896 15.834 -8.340 1.00 0.00 C ATOM 215 C GLY A 14 12.632 15.808 -9.675 1.00 0.00 C ATOM 216 O GLY A 14 13.056 16.847 -10.182 1.00 0.00 O ATOM 0 H GLY A 14 12.814 14.199 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.869 16.167 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.369 16.557 -7.675 1.00 0.00 H new ATOM 220 N ALA A 15 12.779 14.614 -10.240 1.00 0.00 N ATOM 221 CA ALA A 15 13.484 14.448 -11.505 1.00 0.00 C ATOM 222 C ALA A 15 12.733 15.120 -12.647 1.00 0.00 C ATOM 223 O ALA A 15 11.601 15.573 -12.477 1.00 0.00 O ATOM 224 CB ALA A 15 13.692 12.971 -11.805 1.00 0.00 C ATOM 0 H ALA A 15 12.419 13.747 -9.841 1.00 0.00 H new ATOM 0 HA ALA A 15 14.457 14.930 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.220 12.863 -12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.281 12.517 -11.008 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.725 12.473 -11.870 1.00 0.00 H new ATOM 230 N SER A 16 13.369 15.183 -13.811 1.00 0.00 N ATOM 231 CA SER A 16 12.811 15.899 -14.953 1.00 0.00 C ATOM 232 C SER A 16 12.138 14.942 -15.928 1.00 0.00 C ATOM 233 O SER A 16 12.398 13.738 -15.910 1.00 0.00 O ATOM 234 CB SER A 16 13.900 16.677 -15.663 1.00 0.00 C ATOM 235 OG SER A 16 14.806 15.814 -16.294 1.00 0.00 O ATOM 0 H SER A 16 14.273 14.746 -13.989 1.00 0.00 H new ATOM 0 HA SER A 16 12.057 16.592 -14.580 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.453 17.343 -16.401 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.430 17.305 -14.946 1.00 0.00 H new ATOM 0 HG SER A 16 15.498 16.340 -16.746 1.00 0.00 H new ATOM 241 N ASP A 17 11.273 15.484 -16.779 1.00 0.00 N ATOM 242 CA ASP A 17 10.576 14.680 -17.777 1.00 0.00 C ATOM 243 C ASP A 17 11.559 13.901 -18.641 1.00 0.00 C ATOM 244 O ASP A 17 11.335 12.731 -18.952 1.00 0.00 O ATOM 245 CB ASP A 17 9.701 15.570 -18.664 1.00 0.00 C ATOM 246 CG ASP A 17 8.481 16.117 -17.934 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.174 15.621 -16.877 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.869 17.025 -18.442 1.00 0.00 O1- ATOM 0 H ASP A 17 11.038 16.476 -16.798 1.00 0.00 H new ATOM 0 HA ASP A 17 9.943 13.968 -17.247 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.298 16.402 -19.037 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.373 14.999 -19.532 1.00 0.00 H new ATOM 253 N GLU A 18 12.648 14.556 -19.028 1.00 0.00 N ATOM 254 CA GLU A 18 13.680 13.919 -19.838 1.00 0.00 C ATOM 255 C GLU A 18 14.323 12.756 -19.093 1.00 0.00 C ATOM 256 O GLU A 18 14.469 11.662 -19.638 1.00 0.00 O ATOM 257 CB GLU A 18 14.750 14.936 -20.237 1.00 0.00 C ATOM 258 CG GLU A 18 15.881 14.362 -21.078 1.00 0.00 C ATOM 259 CD GLU A 18 16.917 15.387 -21.442 1.00 0.00 C ATOM 260 OE1 GLU A 18 16.678 16.550 -21.226 1.00 0.00 O ATOM 261 OE2 GLU A 18 17.952 15.006 -21.940 1.00 0.00 O1- ATOM 0 H GLU A 18 12.839 15.530 -18.793 1.00 0.00 H new ATOM 0 HA GLU A 18 13.204 13.530 -20.738 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.276 15.745 -20.792 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.172 15.374 -19.333 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.358 13.549 -20.530 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.467 13.932 -21.990 1.00 0.00 H new ATOM 268 N GLU A 19 14.706 12.999 -17.844 1.00 0.00 N ATOM 269 CA GLU A 19 15.300 11.962 -17.009 1.00 0.00 C ATOM 270 C GLU A 19 14.337 10.797 -16.811 1.00 0.00 C ATOM 271 O GLU A 19 14.747 9.636 -16.799 1.00 0.00 O ATOM 272 CB GLU A 19 15.705 12.538 -15.650 1.00 0.00 C ATOM 273 CG GLU A 19 16.914 13.462 -15.696 1.00 0.00 C ATOM 274 CD GLU A 19 17.159 14.170 -14.391 1.00 0.00 C ATOM 275 OE1 GLU A 19 16.208 14.437 -13.695 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.297 14.442 -14.091 1.00 0.00 O1- ATOM 0 H GLU A 19 14.615 13.907 -17.387 1.00 0.00 H new ATOM 0 HA GLU A 19 16.189 11.591 -17.520 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.859 13.086 -15.234 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.918 11.714 -14.968 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.798 12.882 -15.961 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.770 14.202 -16.484 1.00 0.00 H new ATOM 283 N ILE A 20 13.057 11.114 -16.655 1.00 0.00 N ATOM 284 CA ILE A 20 12.029 10.093 -16.496 1.00 0.00 C ATOM 285 C ILE A 20 11.935 9.208 -17.732 1.00 0.00 C ATOM 286 O ILE A 20 11.805 7.989 -17.626 1.00 0.00 O ATOM 287 CB ILE A 20 10.657 10.734 -16.217 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.630 11.354 -14.819 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.548 9.703 -16.367 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.444 12.259 -14.573 1.00 0.00 C ATOM 0 H ILE A 20 12.706 12.072 -16.635 1.00 0.00 H new ATOM 0 HA ILE A 20 12.314 9.476 -15.644 1.00 0.00 H new ATOM 0 HB ILE A 20 10.491 11.526 -16.947 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.625 10.555 -14.078 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.547 11.924 -14.667 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.585 10.173 -16.166 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.554 9.307 -17.383 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.709 8.890 -15.660 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.496 12.660 -13.561 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.458 13.080 -15.290 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.522 11.690 -14.691 1.00 0.00 H new ATOM 302 N LYS A 21 12.003 9.829 -18.905 1.00 0.00 N ATOM 303 CA LYS A 21 11.954 9.096 -20.164 1.00 0.00 C ATOM 304 C LYS A 21 13.165 8.185 -20.319 1.00 0.00 C ATOM 305 O LYS A 21 13.034 7.024 -20.706 1.00 0.00 O ATOM 306 CB LYS A 21 11.870 10.065 -21.344 1.00 0.00 C ATOM 307 CG LYS A 21 10.530 10.778 -21.479 1.00 0.00 C ATOM 308 CD LYS A 21 10.543 11.761 -22.639 1.00 0.00 C ATOM 309 CE LYS A 21 9.213 12.491 -22.761 1.00 0.00 C ATOM 310 NZ LYS A 21 9.217 13.474 -23.878 1.00 0.00 N1+ ATOM 0 H LYS A 21 12.092 10.840 -19.009 1.00 0.00 H new ATOM 0 HA LYS A 21 11.059 8.473 -20.153 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.657 10.812 -21.241 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.070 9.516 -22.264 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.738 10.044 -21.630 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.302 11.307 -20.554 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.346 12.485 -22.496 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.755 11.229 -23.567 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.415 11.766 -22.919 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.995 13.006 -21.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.293 13.949 -23.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.962 14.181 -23.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.399 12.980 -24.775 1.00 0.00 H new ATOM 324 N ARG A 22 14.343 8.719 -20.016 1.00 0.00 N ATOM 325 CA ARG A 22 15.572 7.936 -20.057 1.00 0.00 C ATOM 326 C ARG A 22 15.536 6.800 -19.042 1.00 0.00 C ATOM 327 O ARG A 22 15.784 5.643 -19.382 1.00 0.00 O ATOM 328 CB ARG A 22 16.780 8.819 -19.781 1.00 0.00 C ATOM 329 CG ARG A 22 17.080 9.847 -20.861 1.00 0.00 C ATOM 330 CD ARG A 22 18.254 10.685 -20.510 1.00 0.00 C ATOM 331 NE ARG A 22 18.441 11.780 -21.448 1.00 0.00 N ATOM 332 CZ ARG A 22 19.073 11.674 -22.632 1.00 0.00 C ATOM 333 NH1 ARG A 22 19.576 10.518 -23.007 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 19.190 12.731 -23.416 1.00 0.00 N ATOM 0 H ARG A 22 14.473 9.692 -19.739 1.00 0.00 H new ATOM 0 HA ARG A 22 15.655 7.511 -21.057 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.623 9.340 -18.837 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.655 8.183 -19.652 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.266 9.338 -21.807 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.209 10.485 -21.008 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.125 11.087 -19.505 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.150 10.065 -20.493 1.00 0.00 H new ATOM 0 HE ARG A 22 18.067 12.693 -21.191 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.487 9.702 -22.401 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.055 10.437 -23.904 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.801 13.628 -23.124 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.669 12.650 -24.313 1.00 0.00 H new ATOM 348 N ALA A 23 15.224 7.137 -17.795 1.00 0.00 N ATOM 349 CA ALA A 23 15.049 6.134 -16.752 1.00 0.00 C ATOM 350 C ALA A 23 14.033 5.078 -17.169 1.00 0.00 C ATOM 351 O ALA A 23 14.242 3.884 -16.954 1.00 0.00 O ATOM 352 CB ALA A 23 14.620 6.794 -15.449 1.00 0.00 C ATOM 0 H ALA A 23 15.087 8.098 -17.482 1.00 0.00 H new ATOM 0 HA ALA A 23 16.007 5.638 -16.598 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.493 6.032 -14.680 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.383 7.505 -15.133 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.676 7.318 -15.600 1.00 0.00 H new ATOM 358 N TYR A 24 12.933 5.524 -17.766 1.00 0.00 N ATOM 359 CA TYR A 24 11.904 4.614 -18.253 1.00 0.00 C ATOM 360 C TYR A 24 12.457 3.674 -19.316 1.00 0.00 C ATOM 361 O TYR A 24 12.177 2.475 -19.304 1.00 0.00 O ATOM 362 CB TYR A 24 10.714 5.402 -18.809 1.00 0.00 C ATOM 363 CG TYR A 24 9.657 4.534 -19.457 1.00 0.00 C ATOM 364 CD1 TYR A 24 8.924 3.642 -18.687 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.422 4.630 -20.821 1.00 0.00 C ATOM 366 CE1 TYR A 24 7.960 2.851 -19.278 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.456 3.838 -21.412 1.00 0.00 C ATOM 368 CZ TYR A 24 7.728 2.952 -20.646 1.00 0.00 C ATOM 369 OH TYR A 24 6.767 2.162 -21.235 1.00 0.00 O ATOM 0 H TYR A 24 12.731 6.511 -17.924 1.00 0.00 H new ATOM 0 HA TYR A 24 11.566 4.010 -17.411 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.257 5.972 -18.000 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.078 6.123 -19.541 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.108 3.567 -17.625 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.994 5.323 -21.420 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.388 2.156 -18.681 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.271 3.913 -22.473 1.00 0.00 H new ATOM 0 HH TYR A 24 6.387 2.630 -22.007 1.00 0.00 H new ATOM 379 N ARG A 25 13.245 4.224 -20.234 1.00 0.00 N ATOM 380 CA ARG A 25 13.927 3.419 -21.241 1.00 0.00 C ATOM 381 C ARG A 25 14.759 2.319 -20.594 1.00 0.00 C ATOM 382 O ARG A 25 14.692 1.158 -20.999 1.00 0.00 O ATOM 383 CB ARG A 25 14.826 4.292 -22.103 1.00 0.00 C ATOM 384 CG ARG A 25 15.602 3.544 -23.177 1.00 0.00 C ATOM 385 CD ARG A 25 16.754 4.339 -23.676 1.00 0.00 C ATOM 386 NE ARG A 25 17.745 4.567 -22.636 1.00 0.00 N ATOM 387 CZ ARG A 25 18.900 5.237 -22.814 1.00 0.00 C ATOM 388 NH1 ARG A 25 19.195 5.736 -23.994 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 19.738 5.391 -21.803 1.00 0.00 N ATOM 0 H ARG A 25 13.427 5.225 -20.301 1.00 0.00 H new ATOM 0 HA ARG A 25 13.163 2.958 -21.867 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.215 5.057 -22.582 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.535 4.809 -21.456 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.961 2.597 -22.774 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.937 3.306 -24.007 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.219 3.819 -24.513 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.398 5.297 -24.055 1.00 0.00 H new ATOM 0 HE ARG A 25 17.552 4.193 -21.707 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.549 5.616 -24.774 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.069 6.243 -24.129 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.510 5.002 -20.888 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.612 5.898 -21.938 1.00 0.00 H new ATOM 403 N ARG A 26 15.543 2.691 -19.588 1.00 0.00 N ATOM 404 CA ARG A 26 16.367 1.731 -18.864 1.00 0.00 C ATOM 405 C ARG A 26 15.524 0.590 -18.309 1.00 0.00 C ATOM 406 O ARG A 26 15.888 -0.580 -18.430 1.00 0.00 O ATOM 407 CB ARG A 26 17.106 2.413 -17.722 1.00 0.00 C ATOM 408 CG ARG A 26 17.936 1.484 -16.851 1.00 0.00 C ATOM 409 CD ARG A 26 18.613 2.219 -15.753 1.00 0.00 C ATOM 410 NE ARG A 26 17.661 2.833 -14.843 1.00 0.00 N ATOM 411 CZ ARG A 26 17.955 3.830 -13.986 1.00 0.00 C ATOM 412 NH1 ARG A 26 19.176 4.314 -13.934 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 17.015 4.322 -13.197 1.00 0.00 N ATOM 0 H ARG A 26 15.625 3.652 -19.255 1.00 0.00 H new ATOM 0 HA ARG A 26 17.090 1.322 -19.570 1.00 0.00 H new ATOM 0 HB2 ARG A 26 17.761 3.178 -18.138 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.378 2.924 -17.092 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.294 0.711 -16.429 1.00 0.00 H new ATOM 0 HG3 ARG A 26 18.682 0.979 -17.465 1.00 0.00 H new ATOM 0 HD2 ARG A 26 19.254 1.534 -15.199 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.259 2.988 -16.176 1.00 0.00 H new ATOM 0 HE ARG A 26 16.702 2.485 -14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 26 19.901 3.935 -14.543 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.398 5.069 -13.285 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.067 3.947 -13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.237 5.077 -12.548 1.00 0.00 H new ATOM 427 N GLN A 27 14.395 0.937 -17.701 1.00 0.00 N ATOM 428 CA GLN A 27 13.588 -0.034 -16.971 1.00 0.00 C ATOM 429 C GLN A 27 12.792 -0.917 -17.925 1.00 0.00 C ATOM 430 O GLN A 27 12.668 -2.123 -17.713 1.00 0.00 O ATOM 431 CB GLN A 27 12.640 0.677 -16.003 1.00 0.00 C ATOM 432 CG GLN A 27 13.335 1.334 -14.822 1.00 0.00 C ATOM 433 CD GLN A 27 14.066 0.331 -13.949 1.00 0.00 C ATOM 434 OE1 GLN A 27 13.612 -0.802 -13.767 1.00 0.00 O ATOM 435 NE2 GLN A 27 15.204 0.743 -13.404 1.00 0.00 N ATOM 0 H GLN A 27 14.017 1.885 -17.699 1.00 0.00 H new ATOM 0 HA GLN A 27 14.266 -0.669 -16.402 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.082 1.437 -16.550 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.914 -0.044 -15.628 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.044 2.077 -15.188 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.598 1.866 -14.220 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.542 1.689 -13.582 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.741 0.114 -12.807 1.00 0.00 H new ATOM 444 N ALA A 28 12.253 -0.307 -18.976 1.00 0.00 N ATOM 445 CA ALA A 28 11.549 -1.050 -20.015 1.00 0.00 C ATOM 446 C ALA A 28 12.491 -1.998 -20.747 1.00 0.00 C ATOM 447 O ALA A 28 12.092 -3.088 -21.156 1.00 0.00 O ATOM 448 CB ALA A 28 10.892 -0.092 -20.998 1.00 0.00 C ATOM 0 H ALA A 28 12.290 0.701 -19.131 1.00 0.00 H new ATOM 0 HA ALA A 28 10.774 -1.648 -19.536 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.371 -0.661 -21.767 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.179 0.540 -20.469 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.655 0.532 -21.463 1.00 0.00 H new ATOM 454 N LEU A 29 13.740 -1.576 -20.910 1.00 0.00 N ATOM 455 CA LEU A 29 14.792 -2.463 -21.390 1.00 0.00 C ATOM 456 C LEU A 29 15.121 -3.535 -20.359 1.00 0.00 C ATOM 457 O LEU A 29 15.415 -4.678 -20.711 1.00 0.00 O ATOM 458 CB LEU A 29 16.055 -1.657 -21.721 1.00 0.00 C ATOM 459 CG LEU A 29 15.955 -0.739 -22.945 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.207 0.125 -23.034 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.783 -1.582 -24.200 1.00 0.00 C ATOM 0 H LEU A 29 14.049 -0.623 -20.716 1.00 0.00 H new ATOM 0 HA LEU A 29 14.430 -2.954 -22.293 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.314 -1.049 -20.854 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.878 -2.354 -21.879 1.00 0.00 H new ATOM 0 HG LEU A 29 15.089 -0.084 -22.850 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.137 0.778 -23.904 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.296 0.730 -22.132 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.084 -0.515 -23.130 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.712 -0.929 -25.070 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.641 -2.245 -24.313 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.873 -2.176 -24.117 1.00 0.00 H new ATOM 473 N ARG A 30 15.070 -3.160 -19.086 1.00 0.00 N ATOM 474 CA ARG A 30 15.356 -4.091 -18.001 1.00 0.00 C ATOM 475 C ARG A 30 14.393 -5.271 -18.020 1.00 0.00 C ATOM 476 O ARG A 30 14.796 -6.417 -17.814 1.00 0.00 O ATOM 477 CB ARG A 30 15.265 -3.389 -16.654 1.00 0.00 C ATOM 478 CG ARG A 30 15.626 -4.252 -15.456 1.00 0.00 C ATOM 479 CD ARG A 30 15.505 -3.501 -14.181 1.00 0.00 C ATOM 480 NE ARG A 30 15.830 -4.329 -13.031 1.00 0.00 N ATOM 481 CZ ARG A 30 15.543 -4.010 -11.753 1.00 0.00 C ATOM 482 NH1 ARG A 30 14.927 -2.881 -11.480 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 15.881 -4.832 -10.775 1.00 0.00 N ATOM 0 H ARG A 30 14.833 -2.216 -18.780 1.00 0.00 H new ATOM 0 HA ARG A 30 16.370 -4.462 -18.148 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.923 -2.520 -16.669 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.249 -3.017 -16.522 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.974 -5.125 -15.427 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.646 -4.619 -15.566 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.168 -2.636 -14.205 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.489 -3.121 -14.079 1.00 0.00 H new ATOM 0 HE ARG A 30 16.309 -5.213 -13.203 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.666 -2.247 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.710 -2.639 -10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.359 -5.708 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.664 -4.591 -9.808 1.00 0.00 H new ATOM 497 N TYR A 31 13.120 -4.986 -18.268 1.00 0.00 N ATOM 498 CA TYR A 31 12.083 -6.010 -18.227 1.00 0.00 C ATOM 499 C TYR A 31 11.617 -6.381 -19.630 1.00 0.00 C ATOM 500 O TYR A 31 10.673 -7.152 -19.797 1.00 0.00 O ATOM 501 CB TYR A 31 10.897 -5.537 -17.382 1.00 0.00 C ATOM 502 CG TYR A 31 11.250 -5.258 -15.939 1.00 0.00 C ATOM 503 CD1 TYR A 31 11.273 -3.953 -15.470 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.549 -6.307 -15.083 1.00 0.00 C ATOM 505 CE1 TYR A 31 11.594 -3.697 -14.151 1.00 0.00 C ATOM 506 CE2 TYR A 31 11.871 -6.052 -13.764 1.00 0.00 C ATOM 507 CZ TYR A 31 11.894 -4.754 -13.298 1.00 0.00 C ATOM 508 OH TYR A 31 12.215 -4.501 -11.984 1.00 0.00 O ATOM 0 H TYR A 31 12.781 -4.052 -18.500 1.00 0.00 H new ATOM 0 HA TYR A 31 12.511 -6.901 -17.767 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.484 -4.632 -17.827 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.114 -6.295 -17.415 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.040 -3.136 -16.137 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.530 -7.323 -15.447 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.612 -2.681 -13.784 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.105 -6.869 -13.098 1.00 0.00 H new ATOM 0 HH TYR A 31 11.540 -3.909 -11.590 1.00 0.00 H new ATOM 518 N HIS A 32 12.286 -5.825 -20.635 1.00 0.00 N ATOM 519 CA HIS A 32 12.015 -6.180 -22.024 1.00 0.00 C ATOM 520 C HIS A 32 12.005 -7.691 -22.213 1.00 0.00 C ATOM 521 O HIS A 32 12.845 -8.402 -21.662 1.00 0.00 O ATOM 522 CB HIS A 32 13.055 -5.550 -22.955 1.00 0.00 C ATOM 523 CG HIS A 32 12.683 -5.616 -24.404 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.813 -6.767 -25.153 1.00 0.00 N ATOM 525 CD2 HIS A 32 12.187 -4.675 -25.241 1.00 0.00 C ATOM 526 CE1 HIS A 32 12.410 -6.530 -26.390 1.00 0.00 C ATOM 527 NE2 HIS A 32 12.026 -5.268 -26.469 1.00 0.00 N ATOM 0 H HIS A 32 13.020 -5.127 -20.514 1.00 0.00 H new ATOM 0 HA HIS A 32 11.028 -5.792 -22.277 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.198 -4.507 -22.673 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.011 -6.053 -22.811 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.960 -3.649 -24.990 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.397 -7.246 -27.198 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.668 -4.809 -27.306 1.00 0.00 H new ATOM 535 N PRO A 33 11.048 -8.177 -22.998 1.00 0.00 N ATOM 536 CA PRO A 33 10.874 -9.611 -23.195 1.00 0.00 C ATOM 537 C PRO A 33 12.183 -10.272 -23.612 1.00 0.00 C ATOM 538 O PRO A 33 12.479 -11.396 -23.205 1.00 0.00 O ATOM 539 CB PRO A 33 9.827 -9.681 -24.311 1.00 0.00 C ATOM 540 CG PRO A 33 8.970 -8.484 -24.082 1.00 0.00 C ATOM 541 CD PRO A 33 9.933 -7.408 -23.657 1.00 0.00 C ATOM 0 HA PRO A 33 10.567 -10.137 -22.291 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.292 -9.655 -25.296 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.247 -10.602 -24.256 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.433 -8.201 -24.987 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.221 -8.673 -23.313 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.292 -6.831 -24.509 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.469 -6.703 -22.967 1.00 0.00 H new ATOM 549 N ASP A 34 12.964 -9.568 -24.424 1.00 0.00 N ATOM 550 CA ASP A 34 14.200 -10.118 -24.965 1.00 0.00 C ATOM 551 C ASP A 34 15.381 -9.828 -24.047 1.00 0.00 C ATOM 552 O ASP A 34 16.535 -10.037 -24.419 1.00 0.00 O ATOM 553 CB ASP A 34 14.478 -9.546 -26.358 1.00 0.00 C ATOM 554 CG ASP A 34 13.458 -9.995 -27.395 1.00 0.00 C ATOM 555 OD1 ASP A 34 12.867 -11.033 -27.211 1.00 0.00 O ATOM 556 OD2 ASP A 34 13.278 -9.295 -28.363 1.00 0.00 O1- ATOM 0 H ASP A 34 12.762 -8.614 -24.722 1.00 0.00 H new ATOM 0 HA ASP A 34 14.076 -11.198 -25.039 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.480 -8.457 -26.305 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.474 -9.851 -26.679 1.00 0.00 H new ATOM 561 N LYS A 35 15.084 -9.343 -22.845 1.00 0.00 N ATOM 562 CA LYS A 35 16.121 -8.969 -21.893 1.00 0.00 C ATOM 563 C LYS A 35 15.940 -9.698 -20.567 1.00 0.00 C ATOM 564 O LYS A 35 16.914 -10.110 -19.936 1.00 0.00 O ATOM 565 CB LYS A 35 16.120 -7.456 -21.666 1.00 0.00 C ATOM 566 CG LYS A 35 16.479 -6.635 -22.897 1.00 0.00 C ATOM 567 CD LYS A 35 17.913 -6.895 -23.336 1.00 0.00 C ATOM 568 CE LYS A 35 18.305 -6.005 -24.506 1.00 0.00 C ATOM 569 NZ LYS A 35 19.697 -6.268 -24.963 1.00 0.00 N1+ ATOM 0 H LYS A 35 14.132 -9.200 -22.508 1.00 0.00 H new ATOM 0 HA LYS A 35 17.082 -9.262 -22.315 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.132 -7.154 -21.318 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.825 -7.220 -20.869 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.797 -6.880 -23.711 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.349 -5.575 -22.680 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.589 -6.718 -22.500 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.024 -7.942 -23.620 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.615 -6.168 -25.333 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.211 -4.959 -24.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.925 -5.641 -25.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.359 -6.088 -24.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.781 -7.259 -25.266 1.00 0.00 H new ATOM 583 N ASN A 36 14.688 -9.852 -20.149 1.00 0.00 N ATOM 584 CA ASN A 36 14.383 -10.424 -18.843 1.00 0.00 C ATOM 585 C ASN A 36 13.075 -11.205 -18.877 1.00 0.00 C ATOM 586 O ASN A 36 12.008 -10.638 -19.114 1.00 0.00 O ATOM 587 CB ASN A 36 14.329 -9.339 -17.784 1.00 0.00 C ATOM 588 CG ASN A 36 14.134 -9.893 -16.399 1.00 0.00 C ATOM 589 OD1 ASN A 36 13.591 -10.990 -16.227 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.567 -9.155 -15.409 1.00 0.00 N ATOM 0 H ASN A 36 13.868 -9.589 -20.696 1.00 0.00 H new ATOM 0 HA ASN A 36 15.183 -11.119 -18.586 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.253 -8.761 -17.814 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.515 -8.651 -18.014 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.462 -9.479 -14.448 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.009 -8.256 -15.599 1.00 0.00 H new ATOM 597 N LYS A 37 13.164 -12.509 -18.640 1.00 0.00 N ATOM 598 CA LYS A 37 11.983 -13.363 -18.596 1.00 0.00 C ATOM 599 C LYS A 37 11.859 -14.064 -17.250 1.00 0.00 C ATOM 600 O LYS A 37 12.391 -15.157 -17.056 1.00 0.00 O ATOM 601 CB LYS A 37 12.026 -14.395 -19.725 1.00 0.00 C ATOM 602 CG LYS A 37 11.945 -13.801 -21.124 1.00 0.00 C ATOM 603 CD LYS A 37 11.899 -14.890 -22.186 1.00 0.00 C ATOM 604 CE LYS A 37 11.841 -14.298 -23.585 1.00 0.00 C ATOM 605 NZ LYS A 37 11.740 -15.352 -24.631 1.00 0.00 N1+ ATOM 0 H LYS A 37 14.044 -12.998 -18.475 1.00 0.00 H new ATOM 0 HA LYS A 37 11.108 -12.728 -18.730 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.948 -14.970 -19.640 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.201 -15.095 -19.592 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.057 -13.174 -21.204 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.807 -13.157 -21.298 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.779 -15.527 -22.095 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.028 -15.524 -22.021 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.984 -13.629 -23.660 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.732 -13.696 -23.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.703 -14.907 -25.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.570 -15.976 -24.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.876 -15.911 -24.479 1.00 0.00 H new ATOM 619 N GLU A 38 11.153 -13.428 -16.320 1.00 0.00 N ATOM 620 CA GLU A 38 10.974 -13.981 -14.983 1.00 0.00 C ATOM 621 C GLU A 38 9.606 -13.624 -14.418 1.00 0.00 C ATOM 622 O GLU A 38 9.236 -12.451 -14.351 1.00 0.00 O ATOM 623 CB GLU A 38 12.072 -13.473 -14.045 1.00 0.00 C ATOM 624 CG GLU A 38 11.994 -14.024 -12.629 1.00 0.00 C ATOM 625 CD GLU A 38 13.114 -13.541 -11.751 1.00 0.00 C ATOM 626 OE1 GLU A 38 13.926 -12.781 -12.221 1.00 0.00 O ATOM 627 OE2 GLU A 38 13.158 -13.932 -10.608 1.00 0.00 O1- ATOM 0 H GLU A 38 10.695 -12.529 -16.469 1.00 0.00 H new ATOM 0 HA GLU A 38 11.041 -15.066 -15.060 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.043 -13.730 -14.469 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.021 -12.385 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.041 -13.737 -12.185 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.013 -15.113 -12.667 1.00 0.00 H new ATOM 634 N PRO A 39 8.855 -14.642 -14.012 1.00 0.00 N ATOM 635 CA PRO A 39 7.574 -14.433 -13.348 1.00 0.00 C ATOM 636 C PRO A 39 7.728 -13.543 -12.121 1.00 0.00 C ATOM 637 O PRO A 39 8.574 -13.793 -11.264 1.00 0.00 O ATOM 638 CB PRO A 39 7.148 -15.854 -12.965 1.00 0.00 C ATOM 639 CG PRO A 39 7.842 -16.724 -13.957 1.00 0.00 C ATOM 640 CD PRO A 39 9.185 -16.071 -14.152 1.00 0.00 C ATOM 0 HA PRO A 39 6.841 -13.925 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.445 -16.098 -11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.066 -15.973 -13.019 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.946 -17.744 -13.587 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.287 -16.780 -14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.909 -16.397 -13.406 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.611 -16.297 -15.130 1.00 0.00 H new ATOM 648 N GLY A 40 6.904 -12.503 -12.045 1.00 0.00 N ATOM 649 CA GLY A 40 6.986 -11.541 -10.952 1.00 0.00 C ATOM 650 C GLY A 40 7.727 -10.282 -11.383 1.00 0.00 C ATOM 651 O GLY A 40 7.296 -9.166 -11.093 1.00 0.00 O ATOM 0 H GLY A 40 6.172 -12.305 -12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.982 -11.279 -10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.497 -11.994 -10.102 1.00 0.00 H new ATOM 655 N ALA A 41 8.845 -10.467 -12.076 1.00 0.00 N ATOM 656 CA ALA A 41 9.499 -9.373 -12.783 1.00 0.00 C ATOM 657 C ALA A 41 8.631 -8.858 -13.924 1.00 0.00 C ATOM 658 O ALA A 41 8.617 -7.662 -14.216 1.00 0.00 O ATOM 659 CB ALA A 41 10.856 -9.817 -13.309 1.00 0.00 C ATOM 0 H ALA A 41 9.318 -11.367 -12.163 1.00 0.00 H new ATOM 0 HA ALA A 41 9.646 -8.556 -12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.331 -8.989 -13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.486 -10.127 -12.475 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.724 -10.654 -13.995 1.00 0.00 H new ATOM 665 N GLU A 42 7.909 -9.768 -14.568 1.00 0.00 N ATOM 666 CA GLU A 42 6.853 -9.390 -15.500 1.00 0.00 C ATOM 667 C GLU A 42 5.840 -8.464 -14.840 1.00 0.00 C ATOM 668 O GLU A 42 5.324 -7.541 -15.470 1.00 0.00 O ATOM 669 CB GLU A 42 6.146 -10.635 -16.039 1.00 0.00 C ATOM 670 CG GLU A 42 6.994 -11.487 -16.972 1.00 0.00 C ATOM 671 CD GLU A 42 6.291 -12.736 -17.425 1.00 0.00 C ATOM 672 OE1 GLU A 42 5.237 -13.022 -16.911 1.00 0.00 O ATOM 673 OE2 GLU A 42 6.810 -13.405 -18.288 1.00 0.00 O1- ATOM 0 H GLU A 42 8.036 -10.774 -14.462 1.00 0.00 H new ATOM 0 HA GLU A 42 7.317 -8.855 -16.329 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.826 -11.249 -15.197 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.245 -10.325 -16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.271 -10.895 -17.845 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.919 -11.761 -16.465 1.00 0.00 H new ATOM 680 N GLU A 43 5.558 -8.717 -13.565 1.00 0.00 N ATOM 681 CA GLU A 43 4.659 -7.865 -12.796 1.00 0.00 C ATOM 682 C GLU A 43 5.346 -6.571 -12.379 1.00 0.00 C ATOM 683 O GLU A 43 4.727 -5.507 -12.359 1.00 0.00 O ATOM 684 CB GLU A 43 4.152 -8.606 -11.558 1.00 0.00 C ATOM 685 CG GLU A 43 3.303 -9.833 -11.863 1.00 0.00 C ATOM 686 CD GLU A 43 2.024 -9.497 -12.577 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.324 -8.624 -12.123 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.746 -10.113 -13.578 1.00 0.00 O1- ATOM 0 H GLU A 43 5.940 -9.506 -13.043 1.00 0.00 H new ATOM 0 HA GLU A 43 3.813 -7.613 -13.435 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.008 -8.912 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.566 -7.916 -10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.882 -10.527 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.069 -10.347 -10.931 1.00 0.00 H new ATOM 695 N LYS A 44 6.629 -6.669 -12.049 1.00 0.00 N ATOM 696 CA LYS A 44 7.457 -5.488 -11.835 1.00 0.00 C ATOM 697 C LYS A 44 7.445 -4.578 -13.056 1.00 0.00 C ATOM 698 O LYS A 44 7.407 -3.353 -12.929 1.00 0.00 O ATOM 699 CB LYS A 44 8.892 -5.894 -11.497 1.00 0.00 C ATOM 700 CG LYS A 44 9.062 -6.515 -10.115 1.00 0.00 C ATOM 701 CD LYS A 44 10.511 -6.900 -9.857 1.00 0.00 C ATOM 702 CE LYS A 44 10.677 -7.544 -8.489 1.00 0.00 C ATOM 703 NZ LYS A 44 12.085 -7.949 -8.231 1.00 0.00 N1+ ATOM 0 H LYS A 44 7.119 -7.555 -11.924 1.00 0.00 H new ATOM 0 HA LYS A 44 7.038 -4.936 -10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.242 -6.604 -12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.532 -5.014 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.730 -5.809 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.428 -7.398 -10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.849 -7.590 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.142 -6.014 -9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.354 -6.845 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.030 -8.418 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.154 -8.383 -7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.386 -8.636 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.700 -7.112 -8.272 1.00 0.00 H new ATOM 717 N PHE A 45 7.476 -5.182 -14.239 1.00 0.00 N ATOM 718 CA PHE A 45 7.334 -4.438 -15.484 1.00 0.00 C ATOM 719 C PHE A 45 5.984 -3.738 -15.556 1.00 0.00 C ATOM 720 O PHE A 45 5.882 -2.610 -16.039 1.00 0.00 O ATOM 721 CB PHE A 45 7.497 -5.369 -16.686 1.00 0.00 C ATOM 722 CG PHE A 45 7.685 -4.649 -17.990 1.00 0.00 C ATOM 723 CD1 PHE A 45 7.975 -3.294 -18.015 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.573 -5.326 -19.196 1.00 0.00 C ATOM 725 CE1 PHE A 45 8.148 -2.629 -19.214 1.00 0.00 C ATOM 726 CE2 PHE A 45 7.747 -4.666 -20.396 1.00 0.00 C ATOM 727 CZ PHE A 45 8.034 -3.315 -20.406 1.00 0.00 C ATOM 0 H PHE A 45 7.599 -6.187 -14.361 1.00 0.00 H new ATOM 0 HA PHE A 45 8.118 -3.681 -15.508 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.354 -6.021 -16.515 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.618 -6.010 -16.759 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.067 -2.751 -17.086 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.347 -6.382 -19.196 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.372 -1.573 -19.218 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.659 -5.206 -21.327 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.169 -2.797 -21.344 1.00 0.00 H new ATOM 737 N LYS A 46 4.946 -4.413 -15.073 1.00 0.00 N ATOM 738 CA LYS A 46 3.626 -3.806 -14.952 1.00 0.00 C ATOM 739 C LYS A 46 3.630 -2.674 -13.935 1.00 0.00 C ATOM 740 O LYS A 46 2.967 -1.654 -14.124 1.00 0.00 O ATOM 741 CB LYS A 46 2.587 -4.859 -14.563 1.00 0.00 C ATOM 742 CG LYS A 46 2.282 -5.877 -15.655 1.00 0.00 C ATOM 743 CD LYS A 46 1.280 -6.916 -15.176 1.00 0.00 C ATOM 744 CE LYS A 46 1.037 -7.982 -16.237 1.00 0.00 C ATOM 745 NZ LYS A 46 0.166 -9.078 -15.734 1.00 0.00 N1+ ATOM 0 H LYS A 46 4.994 -5.382 -14.759 1.00 0.00 H new ATOM 0 HA LYS A 46 3.361 -3.388 -15.923 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.939 -5.389 -13.678 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.662 -4.354 -14.286 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.887 -5.365 -16.533 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.204 -6.372 -15.962 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.648 -7.385 -14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.338 -6.428 -14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.576 -7.524 -17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.992 -8.397 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.016 -9.756 -16.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.640 -9.565 -14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.736 -8.680 -15.402 1.00 0.00 H new ATOM 759 N GLU A 47 4.382 -2.858 -12.854 1.00 0.00 N ATOM 760 CA GLU A 47 4.628 -1.784 -11.899 1.00 0.00 C ATOM 761 C GLU A 47 5.327 -0.605 -12.562 1.00 0.00 C ATOM 762 O GLU A 47 5.031 0.552 -12.265 1.00 0.00 O ATOM 763 CB GLU A 47 5.467 -2.295 -10.726 1.00 0.00 C ATOM 764 CG GLU A 47 4.731 -3.247 -9.794 1.00 0.00 C ATOM 765 CD GLU A 47 5.610 -3.792 -8.703 1.00 0.00 C ATOM 766 OE1 GLU A 47 6.807 -3.677 -8.817 1.00 0.00 O ATOM 767 OE2 GLU A 47 5.084 -4.324 -7.754 1.00 0.00 O1- ATOM 0 H GLU A 47 4.832 -3.742 -12.618 1.00 0.00 H new ATOM 0 HA GLU A 47 3.662 -1.443 -11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.349 -2.800 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.820 -1.441 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.884 -2.727 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.325 -4.075 -10.375 1.00 0.00 H new ATOM 774 N ILE A 48 6.258 -0.906 -13.462 1.00 0.00 N ATOM 775 CA ILE A 48 6.920 0.124 -14.253 1.00 0.00 C ATOM 776 C ILE A 48 5.920 0.886 -15.113 1.00 0.00 C ATOM 777 O ILE A 48 5.984 2.111 -15.219 1.00 0.00 O ATOM 778 CB ILE A 48 8.009 -0.490 -15.153 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.176 -1.002 -14.306 1.00 0.00 C ATOM 780 CG2 ILE A 48 8.493 0.530 -16.172 1.00 0.00 C ATOM 781 CD1 ILE A 48 9.902 0.085 -13.546 1.00 0.00 C ATOM 0 H ILE A 48 6.571 -1.856 -13.661 1.00 0.00 H new ATOM 0 HA ILE A 48 7.385 0.820 -13.555 1.00 0.00 H new ATOM 0 HB ILE A 48 7.579 -1.335 -15.691 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.801 -1.740 -13.597 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.886 -1.515 -14.955 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.262 0.080 -16.800 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.656 0.848 -16.794 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.908 1.394 -15.653 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.715 -0.355 -12.969 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.308 0.812 -14.250 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.207 0.583 -12.870 1.00 0.00 H new ATOM 793 N ALA A 49 4.995 0.155 -15.725 1.00 0.00 N ATOM 794 CA ALA A 49 3.869 0.768 -16.420 1.00 0.00 C ATOM 795 C ALA A 49 3.187 1.813 -15.547 1.00 0.00 C ATOM 796 O ALA A 49 3.207 3.004 -15.857 1.00 0.00 O ATOM 797 CB ALA A 49 2.870 -0.296 -16.851 1.00 0.00 C ATOM 0 H ALA A 49 5.003 -0.865 -15.754 1.00 0.00 H new ATOM 0 HA ALA A 49 4.254 1.270 -17.308 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.035 0.177 -17.368 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.358 -1.003 -17.521 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.500 -0.825 -15.973 1.00 0.00 H new ATOM 803 N GLU A 50 2.582 1.361 -14.453 1.00 0.00 N ATOM 804 CA GLU A 50 2.079 2.264 -13.427 1.00 0.00 C ATOM 805 C GLU A 50 3.031 3.433 -13.207 1.00 0.00 C ATOM 806 O GLU A 50 2.612 4.591 -13.183 1.00 0.00 O ATOM 807 CB GLU A 50 1.868 1.512 -12.111 1.00 0.00 C ATOM 808 CG GLU A 50 0.634 0.623 -12.086 1.00 0.00 C ATOM 809 CD GLU A 50 -0.651 1.402 -12.099 1.00 0.00 C ATOM 810 OE1 GLU A 50 -0.957 2.022 -11.109 1.00 0.00 O ATOM 811 OE2 GLU A 50 -1.328 1.379 -13.101 1.00 0.00 O1- ATOM 0 H GLU A 50 2.429 0.372 -14.255 1.00 0.00 H new ATOM 0 HA GLU A 50 1.123 2.659 -13.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.747 0.899 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.795 2.237 -11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.656 -0.045 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.663 -0.005 -11.195 1.00 0.00 H new ATOM 818 N ALA A 51 4.313 3.124 -13.048 1.00 0.00 N ATOM 819 CA ALA A 51 5.310 4.134 -12.717 1.00 0.00 C ATOM 820 C ALA A 51 5.423 5.179 -13.820 1.00 0.00 C ATOM 821 O ALA A 51 5.717 6.345 -13.556 1.00 0.00 O ATOM 822 CB ALA A 51 6.661 3.483 -12.464 1.00 0.00 C ATOM 0 H ALA A 51 4.686 2.180 -13.143 1.00 0.00 H new ATOM 0 HA ALA A 51 4.987 4.639 -11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.395 4.251 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.577 2.782 -11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.981 2.949 -13.359 1.00 0.00 H new ATOM 828 N TYR A 52 5.188 4.754 -15.057 1.00 0.00 N ATOM 829 CA TYR A 52 5.277 5.648 -16.204 1.00 0.00 C ATOM 830 C TYR A 52 3.905 6.183 -16.594 1.00 0.00 C ATOM 831 O TYR A 52 3.748 7.371 -16.877 1.00 0.00 O ATOM 832 CB TYR A 52 5.924 4.932 -17.392 1.00 0.00 C ATOM 833 CG TYR A 52 6.398 5.866 -18.483 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.295 6.883 -18.186 1.00 0.00 C ATOM 835 CD2 TYR A 52 5.937 5.707 -19.782 1.00 0.00 C ATOM 836 CE1 TYR A 52 7.727 7.735 -19.182 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.371 6.560 -20.778 1.00 0.00 C ATOM 838 CZ TYR A 52 7.262 7.571 -20.482 1.00 0.00 C ATOM 839 OH TYR A 52 7.694 8.420 -21.475 1.00 0.00 O ATOM 0 H TYR A 52 4.934 3.794 -15.290 1.00 0.00 H new ATOM 0 HA TYR A 52 5.902 6.495 -15.920 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.771 4.347 -17.034 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.207 4.229 -17.815 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.655 7.007 -17.175 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.239 4.916 -20.014 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.424 8.527 -18.952 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.013 6.435 -21.789 1.00 0.00 H new ATOM 0 HH TYR A 52 7.353 8.112 -22.340 1.00 0.00 H new ATOM 849 N ASP A 53 2.913 5.299 -16.606 1.00 0.00 N ATOM 850 CA ASP A 53 1.516 5.716 -16.634 1.00 0.00 C ATOM 851 C ASP A 53 1.314 7.016 -15.869 1.00 0.00 C ATOM 852 O ASP A 53 0.706 7.959 -16.375 1.00 0.00 O ATOM 853 CB ASP A 53 0.618 4.624 -16.045 1.00 0.00 C ATOM 854 CG ASP A 53 0.433 3.439 -16.982 1.00 0.00 C ATOM 855 OD1 ASP A 53 0.778 3.557 -18.134 1.00 0.00 O ATOM 856 OD2 ASP A 53 -0.050 2.425 -16.537 1.00 0.00 O1- ATOM 0 H ASP A 53 3.051 4.288 -16.597 1.00 0.00 H new ATOM 0 HA ASP A 53 1.241 5.882 -17.676 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.048 4.275 -15.106 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.357 5.050 -15.810 1.00 0.00 H new ATOM 861 N VAL A 54 1.827 7.062 -14.643 1.00 0.00 N ATOM 862 CA VAL A 54 1.825 8.290 -13.857 1.00 0.00 C ATOM 863 C VAL A 54 2.638 9.382 -14.540 1.00 0.00 C ATOM 864 O VAL A 54 2.175 10.512 -14.691 1.00 0.00 O ATOM 865 CB VAL A 54 2.401 8.027 -12.454 1.00 0.00 C ATOM 866 CG1 VAL A 54 2.689 9.340 -11.741 1.00 0.00 C ATOM 867 CG2 VAL A 54 1.431 7.177 -11.647 1.00 0.00 C ATOM 0 H VAL A 54 2.250 6.262 -14.173 1.00 0.00 H new ATOM 0 HA VAL A 54 0.792 8.626 -13.771 1.00 0.00 H new ATOM 0 HB VAL A 54 3.341 7.484 -12.554 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.096 9.135 -10.751 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.412 9.916 -12.318 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.766 9.911 -11.643 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.845 6.995 -10.655 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.480 7.701 -11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.272 6.225 -12.154 1.00 0.00 H new ATOM 877 N LEU A 55 3.854 9.037 -14.952 1.00 0.00 N ATOM 878 CA LEU A 55 4.842 10.036 -15.345 1.00 0.00 C ATOM 879 C LEU A 55 4.818 10.272 -16.849 1.00 0.00 C ATOM 880 O LEU A 55 5.614 11.049 -17.378 1.00 0.00 O ATOM 881 CB LEU A 55 6.244 9.592 -14.912 1.00 0.00 C ATOM 882 CG LEU A 55 6.414 9.279 -13.420 1.00 0.00 C ATOM 883 CD1 LEU A 55 7.830 8.788 -13.161 1.00 0.00 C ATOM 884 CD2 LEU A 55 6.109 10.526 -12.603 1.00 0.00 C ATOM 0 H LEU A 55 4.179 8.073 -15.022 1.00 0.00 H new ATOM 0 HA LEU A 55 4.589 10.972 -14.847 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.516 8.705 -15.483 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.952 10.375 -15.183 1.00 0.00 H new ATOM 0 HG LEU A 55 5.719 8.494 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.950 8.566 -12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.015 7.886 -13.744 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.542 9.560 -13.453 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.229 10.305 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.795 11.324 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.084 10.844 -12.793 1.00 0.00 H new ATOM 896 N SER A 56 3.900 9.599 -17.534 1.00 0.00 N ATOM 897 CA SER A 56 3.667 9.848 -18.952 1.00 0.00 C ATOM 898 C SER A 56 2.298 10.475 -19.182 1.00 0.00 C ATOM 899 O SER A 56 2.043 11.067 -20.231 1.00 0.00 O ATOM 900 CB SER A 56 3.778 8.554 -19.735 1.00 0.00 C ATOM 901 OG SER A 56 2.783 7.647 -19.350 1.00 0.00 O ATOM 0 H SER A 56 3.305 8.876 -17.130 1.00 0.00 H new ATOM 0 HA SER A 56 4.427 10.547 -19.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.693 8.762 -20.802 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.761 8.111 -19.574 1.00 0.00 H new ATOM 0 HG SER A 56 2.841 7.488 -18.385 1.00 0.00 H new ATOM 907 N ASP A 57 1.418 10.342 -18.195 1.00 0.00 N ATOM 908 CA ASP A 57 0.026 10.748 -18.349 1.00 0.00 C ATOM 909 C ASP A 57 -0.445 11.564 -17.152 1.00 0.00 C ATOM 910 O ASP A 57 -0.451 11.077 -16.021 1.00 0.00 O ATOM 911 CB ASP A 57 -0.874 9.524 -18.526 1.00 0.00 C ATOM 912 CG ASP A 57 -2.316 9.890 -18.853 1.00 0.00 C ATOM 913 OD1 ASP A 57 -2.693 11.011 -18.608 1.00 0.00 O ATOM 914 OD2 ASP A 57 -3.025 9.044 -19.345 1.00 0.00 O1- ATOM 0 H ASP A 57 1.645 9.956 -17.279 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.040 11.372 -19.240 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.474 8.898 -19.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.854 8.929 -17.613 1.00 0.00 H new ATOM 919 N PRO A 58 -0.840 12.806 -17.406 1.00 0.00 N ATOM 920 CA PRO A 58 -1.192 13.733 -16.338 1.00 0.00 C ATOM 921 C PRO A 58 -2.322 13.181 -15.478 1.00 0.00 C ATOM 922 O PRO A 58 -2.548 13.644 -14.361 1.00 0.00 O ATOM 923 CB PRO A 58 -1.624 14.990 -17.100 1.00 0.00 C ATOM 924 CG PRO A 58 -0.831 14.944 -18.361 1.00 0.00 C ATOM 925 CD PRO A 58 -0.792 13.485 -18.726 1.00 0.00 C ATOM 0 HA PRO A 58 -0.374 13.919 -15.642 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.695 14.984 -17.303 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.412 15.894 -16.529 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.299 15.538 -19.146 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.172 15.344 -18.214 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.637 13.204 -19.355 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.114 13.231 -19.277 1.00 0.00 H new ATOM 933 N ARG A 59 -3.028 12.187 -16.007 1.00 0.00 N ATOM 934 CA ARG A 59 -4.243 11.689 -15.373 1.00 0.00 C ATOM 935 C ARG A 59 -3.928 10.956 -14.076 1.00 0.00 C ATOM 936 O ARG A 59 -4.704 11.000 -13.122 1.00 0.00 O ATOM 937 CB ARG A 59 -4.992 10.753 -16.311 1.00 0.00 C ATOM 938 CG ARG A 59 -5.703 11.440 -17.466 1.00 0.00 C ATOM 939 CD ARG A 59 -6.567 10.496 -18.219 1.00 0.00 C ATOM 940 NE ARG A 59 -5.787 9.511 -18.951 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.305 8.440 -19.581 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.602 8.228 -19.560 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.508 7.600 -20.221 1.00 0.00 N ATOM 0 H ARG A 59 -2.779 11.710 -16.874 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.869 12.552 -15.145 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.287 10.028 -16.717 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.727 10.193 -15.732 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.309 12.261 -17.083 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.965 11.875 -18.140 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.237 9.986 -17.527 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.193 11.054 -18.916 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.776 9.641 -18.990 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.217 8.875 -19.066 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.994 7.416 -20.038 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.501 7.764 -20.237 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.900 6.788 -20.698 1.00 0.00 H new ATOM 957 N LYS A 60 -2.782 10.283 -14.046 1.00 0.00 N ATOM 958 CA LYS A 60 -2.307 9.631 -12.832 1.00 0.00 C ATOM 959 C LYS A 60 -1.148 10.401 -12.211 1.00 0.00 C ATOM 960 O LYS A 60 -0.751 10.135 -11.076 1.00 0.00 O ATOM 961 CB LYS A 60 -1.885 8.192 -13.126 1.00 0.00 C ATOM 962 CG LYS A 60 -3.025 7.277 -13.555 1.00 0.00 C ATOM 963 CD LYS A 60 -2.523 5.874 -13.859 1.00 0.00 C ATOM 964 CE LYS A 60 -3.658 4.963 -14.303 1.00 0.00 C ATOM 965 NZ LYS A 60 -3.164 3.625 -14.729 1.00 0.00 N1+ ATOM 0 H LYS A 60 -2.164 10.175 -14.851 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.130 9.618 -12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.128 8.201 -13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.416 7.775 -12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.776 7.234 -12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.513 7.690 -14.438 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.764 5.919 -14.640 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.045 5.457 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.368 4.844 -13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.197 5.430 -15.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.498 3.423 -15.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.124 3.618 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.525 2.898 -14.078 1.00 0.00 H new ATOM 979 N ARG A 61 -0.609 11.355 -12.962 1.00 0.00 N ATOM 980 CA ARG A 61 0.444 12.226 -12.453 1.00 0.00 C ATOM 981 C ARG A 61 -0.007 12.960 -11.196 1.00 0.00 C ATOM 982 O ARG A 61 0.590 12.809 -10.130 1.00 0.00 O ATOM 983 CB ARG A 61 0.855 13.242 -13.508 1.00 0.00 C ATOM 984 CG ARG A 61 1.991 14.166 -13.099 1.00 0.00 C ATOM 985 CD ARG A 61 3.265 13.425 -12.920 1.00 0.00 C ATOM 986 NE ARG A 61 4.316 14.273 -12.381 1.00 0.00 N ATOM 987 CZ ARG A 61 5.199 14.965 -13.127 1.00 0.00 C ATOM 988 NH1 ARG A 61 5.145 14.900 -14.439 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 6.119 15.710 -12.539 1.00 0.00 N ATOM 0 H ARG A 61 -0.884 11.545 -13.926 1.00 0.00 H new ATOM 0 HA ARG A 61 1.298 11.596 -12.204 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.148 12.707 -14.411 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.013 13.849 -13.765 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.123 14.938 -13.857 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.731 14.673 -12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.102 12.580 -12.251 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.585 13.016 -13.879 1.00 0.00 H new ATOM 0 HE ARG A 61 4.390 14.349 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.434 14.326 -14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.814 15.424 -15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.160 15.761 -11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.788 16.234 -13.103 1.00 0.00 H new ATOM 1003 N GLU A 62 -1.065 13.753 -11.328 1.00 0.00 N ATOM 1004 CA GLU A 62 -1.628 14.474 -10.192 1.00 0.00 C ATOM 1005 C GLU A 62 -1.899 13.535 -9.023 1.00 0.00 C ATOM 1006 O GLU A 62 -1.638 13.875 -7.869 1.00 0.00 O ATOM 1007 CB GLU A 62 -2.921 15.184 -10.598 1.00 0.00 C ATOM 1008 CG GLU A 62 -3.567 15.999 -9.487 1.00 0.00 C ATOM 1009 CD GLU A 62 -4.814 16.710 -9.933 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -5.182 16.565 -11.074 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -5.399 17.400 -9.132 1.00 0.00 O1- ATOM 0 H GLU A 62 -1.550 13.913 -12.211 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.896 15.217 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.710 15.843 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.636 14.439 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.809 15.340 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.850 16.731 -9.116 1.00 0.00 H new ATOM 1018 N ILE A 63 -2.422 12.353 -9.330 1.00 0.00 N ATOM 1019 CA ILE A 63 -2.906 11.440 -8.301 1.00 0.00 C ATOM 1020 C ILE A 63 -1.752 10.863 -7.490 1.00 0.00 C ATOM 1021 O ILE A 63 -1.615 11.149 -6.300 1.00 0.00 O ATOM 1022 CB ILE A 63 -3.719 10.291 -8.926 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -5.013 10.827 -9.542 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -4.024 9.227 -7.883 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -5.746 9.820 -10.399 1.00 0.00 C ATOM 0 H ILE A 63 -2.522 12.005 -10.283 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.551 12.013 -7.635 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.124 9.835 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.675 11.159 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.780 11.703 -10.147 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.599 8.422 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.090 8.826 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.602 9.669 -7.071 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.652 10.274 -10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.103 9.506 -11.221 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.012 8.953 -9.795 1.00 0.00 H new ATOM 1037 N PHE A 64 -0.927 10.051 -8.140 1.00 0.00 N ATOM 1038 CA PHE A 64 0.291 9.540 -7.519 1.00 0.00 C ATOM 1039 C PHE A 64 1.011 10.633 -6.739 1.00 0.00 C ATOM 1040 O PHE A 64 1.304 10.471 -5.554 1.00 0.00 O ATOM 1041 CB PHE A 64 1.229 8.963 -8.581 1.00 0.00 C ATOM 1042 CG PHE A 64 2.565 8.536 -8.042 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.682 7.393 -7.267 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.705 9.278 -8.308 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.910 6.999 -6.770 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.934 8.887 -7.814 1.00 0.00 C ATOM 1047 CZ PHE A 64 5.037 7.746 -7.043 1.00 0.00 C ATOM 0 H PHE A 64 -1.078 9.732 -9.097 1.00 0.00 H new ATOM 0 HA PHE A 64 0.004 8.751 -6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.747 8.106 -9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.384 9.709 -9.360 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.804 6.804 -7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.631 10.173 -8.909 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.987 6.106 -6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.815 9.474 -8.031 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.997 7.439 -6.655 1.00 0.00 H new ATOM 1057 N ASP A 65 1.292 11.744 -7.409 1.00 0.00 N ATOM 1058 CA ASP A 65 2.037 12.839 -6.798 1.00 0.00 C ATOM 1059 C ASP A 65 1.307 13.392 -5.581 1.00 0.00 C ATOM 1060 O ASP A 65 1.929 13.752 -4.582 1.00 0.00 O ATOM 1061 CB ASP A 65 2.272 13.961 -7.814 1.00 0.00 C ATOM 1062 CG ASP A 65 3.374 13.634 -8.813 1.00 0.00 C ATOM 1063 OD1 ASP A 65 4.087 12.685 -8.592 1.00 0.00 O ATOM 1064 OD2 ASP A 65 3.491 14.338 -9.787 1.00 0.00 O1- ATOM 0 H ASP A 65 1.015 11.911 -8.376 1.00 0.00 H new ATOM 0 HA ASP A 65 2.999 12.443 -6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.345 14.156 -8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.530 14.877 -7.283 1.00 0.00 H new ATOM 1069 N ARG A 66 -0.018 13.456 -5.672 1.00 0.00 N ATOM 1070 CA ARG A 66 -0.831 14.031 -4.608 1.00 0.00 C ATOM 1071 C ARG A 66 -0.766 13.183 -3.344 1.00 0.00 C ATOM 1072 O ARG A 66 -0.449 13.683 -2.264 1.00 0.00 O ATOM 1073 CB ARG A 66 -2.280 14.164 -5.053 1.00 0.00 C ATOM 1074 CG ARG A 66 -3.211 14.786 -4.025 1.00 0.00 C ATOM 1075 CD ARG A 66 -4.593 14.924 -4.548 1.00 0.00 C ATOM 1076 NE ARG A 66 -4.673 15.905 -5.620 1.00 0.00 N ATOM 1077 CZ ARG A 66 -4.736 17.238 -5.434 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -4.729 17.733 -4.216 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -4.806 18.048 -6.476 1.00 0.00 N ATOM 0 H ARG A 66 -0.551 13.116 -6.473 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.428 15.020 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.312 14.765 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.657 13.175 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.222 14.171 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.832 15.766 -3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.941 13.958 -4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.260 15.217 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.682 15.559 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.676 17.108 -3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.777 18.742 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.812 17.664 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.854 19.057 -6.335 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.068 11.896 -3.486 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.123 10.993 -2.344 1.00 0.00 C ATOM 1095 C TYR A 67 -0.054 9.913 -2.443 1.00 0.00 C ATOM 1096 O TYR A 67 0.650 9.631 -1.472 1.00 0.00 O ATOM 1097 CB TYR A 67 -2.511 10.356 -2.231 1.00 0.00 C ATOM 1098 CG TYR A 67 -3.608 11.341 -1.894 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -4.669 11.522 -2.769 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -3.554 12.062 -0.711 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -5.673 12.422 -2.461 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -4.557 12.961 -0.403 1.00 0.00 C ATOM 1103 CZ TYR A 67 -5.612 13.142 -1.273 1.00 0.00 C ATOM 1104 OH TYR A 67 -6.611 14.037 -0.967 1.00 0.00 O ATOM 0 H TYR A 67 -1.278 11.456 -4.382 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.930 11.579 -1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.753 9.865 -3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.484 9.581 -1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.711 10.960 -3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.728 11.921 -0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.501 12.565 -3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.515 13.522 0.519 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.420 14.457 -0.102 1.00 0.00 H new ATOM 1114 N GLY A 68 0.065 9.311 -3.621 1.00 0.00 N ATOM 1115 CA GLY A 68 0.983 8.196 -3.824 1.00 0.00 C ATOM 1116 C GLY A 68 0.315 7.067 -4.598 1.00 0.00 C ATOM 1117 O GLY A 68 -0.636 7.291 -5.345 1.00 0.00 O ATOM 0 H GLY A 68 -0.464 9.577 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.864 8.541 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.328 7.825 -2.859 1.00 0.00 H new ATOM 1121 N GLU A 69 0.819 5.851 -4.412 1.00 0.00 N ATOM 1122 CA GLU A 69 0.372 4.709 -5.201 1.00 0.00 C ATOM 1123 C GLU A 69 -0.886 4.089 -4.608 1.00 0.00 C ATOM 1124 O GLU A 69 -1.602 3.349 -5.282 1.00 0.00 O ATOM 1125 CB GLU A 69 1.479 3.656 -5.287 1.00 0.00 C ATOM 1126 CG GLU A 69 1.744 2.913 -3.986 1.00 0.00 C ATOM 1127 CD GLU A 69 2.662 3.664 -3.061 1.00 0.00 C ATOM 1128 OE1 GLU A 69 2.840 4.842 -3.259 1.00 0.00 O ATOM 1129 OE2 GLU A 69 3.184 3.058 -2.156 1.00 0.00 O1- ATOM 0 H GLU A 69 1.537 5.631 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 69 0.138 5.067 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.215 2.931 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.401 4.141 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.797 2.728 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.180 1.940 -4.211 1.00 0.00 H new ATOM 1136 N GLU A 70 -1.152 4.396 -3.343 1.00 0.00 N ATOM 1137 CA GLU A 70 -2.367 3.936 -2.680 1.00 0.00 C ATOM 1138 C GLU A 70 -3.611 4.451 -3.393 1.00 0.00 C ATOM 1139 O GLU A 70 -4.669 3.823 -3.348 1.00 0.00 O ATOM 1140 CB GLU A 70 -2.381 4.386 -1.218 1.00 0.00 C ATOM 1141 CG GLU A 70 -1.351 3.693 -0.337 1.00 0.00 C ATOM 1142 CD GLU A 70 -1.397 4.156 1.092 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -2.159 5.046 1.384 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -0.669 3.620 1.894 1.00 0.00 O1- ATOM 0 H GLU A 70 -0.541 4.963 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.375 2.847 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.209 5.462 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.374 4.207 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.518 2.616 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.355 3.874 -0.740 1.00 0.00 H new ATOM 1151 N GLY A 71 -3.478 5.598 -4.050 1.00 0.00 N ATOM 1152 CA GLY A 71 -4.599 6.217 -4.747 1.00 0.00 C ATOM 1153 C GLY A 71 -4.864 5.533 -6.081 1.00 0.00 C ATOM 1154 O GLY A 71 -5.834 5.848 -6.770 1.00 0.00 O ATOM 0 H GLY A 71 -2.603 6.119 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.492 6.163 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.389 7.274 -4.913 1.00 0.00 H new ATOM 1158 N LEU A 72 -3.995 4.594 -6.441 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.165 3.823 -7.667 1.00 0.00 C ATOM 1160 C LEU A 72 -4.541 2.378 -7.361 1.00 0.00 C ATOM 1161 O LEU A 72 -5.196 1.714 -8.164 1.00 0.00 O ATOM 1162 CB LEU A 72 -2.876 3.856 -8.498 1.00 0.00 C ATOM 1163 CG LEU A 72 -2.500 5.223 -9.086 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -1.151 5.121 -9.786 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -3.584 5.676 -10.052 1.00 0.00 C ATOM 0 H LEU A 72 -3.165 4.349 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.975 4.277 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.053 3.511 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.975 3.143 -9.317 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.419 5.962 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.884 6.092 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.391 4.813 -9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.212 4.385 -10.588 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.317 6.647 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.680 4.949 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.533 5.758 -9.522 1.00 0.00 H new ATOM 1177 N LYS A 73 -4.123 1.898 -6.194 1.00 0.00 N ATOM 1178 CA LYS A 73 -4.502 0.568 -5.733 1.00 0.00 C ATOM 1179 C LYS A 73 -5.890 0.577 -5.106 1.00 0.00 C ATOM 1180 O LYS A 73 -6.718 -0.287 -5.394 1.00 0.00 O ATOM 1181 CB LYS A 73 -3.476 0.035 -4.733 1.00 0.00 C ATOM 1182 CG LYS A 73 -3.780 -1.359 -4.202 1.00 0.00 C ATOM 1183 CD LYS A 73 -2.662 -1.865 -3.302 1.00 0.00 C ATOM 1184 CE LYS A 73 -2.963 -3.260 -2.774 1.00 0.00 C ATOM 1185 NZ LYS A 73 -1.883 -3.762 -1.882 1.00 0.00 N1+ ATOM 0 H LYS A 73 -3.521 2.411 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.525 -0.091 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.495 0.023 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.414 0.725 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.717 -1.342 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.917 -2.046 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.724 -1.879 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.527 -1.179 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.907 -3.246 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.089 -3.946 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.127 -4.715 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.987 -3.800 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.779 -3.122 -1.069 1.00 0.00 H new ATOM 1199 N GLY A 74 -6.138 1.558 -4.246 1.00 0.00 N ATOM 1200 CA GLY A 74 -7.378 1.610 -3.480 1.00 0.00 C ATOM 1201 C GLY A 74 -7.143 1.226 -2.025 1.00 0.00 C ATOM 1202 O GLY A 74 -8.041 0.716 -1.355 1.00 0.00 O ATOM 0 H GLY A 74 -5.496 2.329 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.798 2.615 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.111 0.936 -3.923 1.00 0.00 H new ATOM 1371 N SER A 91 -6.265 -3.994 -7.196 1.00 0.00 N ATOM 1372 CA SER A 91 -4.843 -3.670 -7.202 1.00 0.00 C ATOM 1373 C SER A 91 -4.564 -2.437 -8.053 1.00 0.00 C ATOM 1374 O SER A 91 -5.409 -1.550 -8.174 1.00 0.00 O ATOM 1375 CB SER A 91 -4.042 -4.846 -7.722 1.00 0.00 C ATOM 1376 OG SER A 91 -2.667 -4.625 -7.566 1.00 0.00 O ATOM 0 HA SER A 91 -4.542 -3.454 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.331 -5.752 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.271 -5.009 -8.775 1.00 0.00 H new ATOM 0 HG SER A 91 -2.171 -5.398 -7.907 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.374 -2.387 -8.640 1.00 0.00 N ATOM 1383 CA TYR A 92 -2.990 -1.275 -9.500 1.00 0.00 C ATOM 1384 C TYR A 92 -3.551 -1.445 -10.906 1.00 0.00 C ATOM 1385 O TYR A 92 -3.696 -2.565 -11.395 1.00 0.00 O ATOM 1386 CB TYR A 92 -1.466 -1.137 -9.549 1.00 0.00 C ATOM 1387 CG TYR A 92 -0.826 -0.953 -8.192 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -0.265 -2.040 -7.536 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -0.798 0.302 -7.602 1.00 0.00 C ATOM 1390 CE1 TYR A 92 0.320 -1.871 -6.296 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -0.213 0.470 -6.362 1.00 0.00 C ATOM 1392 CZ TYR A 92 0.344 -0.611 -5.709 1.00 0.00 C ATOM 1393 OH TYR A 92 0.928 -0.443 -4.474 1.00 0.00 O ATOM 0 H TYR A 92 -2.657 -3.105 -8.536 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.412 -0.364 -9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.045 -2.025 -10.021 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.208 -0.287 -10.180 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.286 -3.017 -7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.234 1.148 -8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.757 -2.715 -5.784 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.191 1.447 -5.903 1.00 0.00 H new ATOM 0 HH TYR A 92 1.650 -1.096 -4.362 1.00 0.00 H new ATOM 1403 N THR A 93 -3.863 -0.327 -11.553 1.00 0.00 N ATOM 1404 CA THR A 93 -4.418 -0.351 -12.900 1.00 0.00 C ATOM 1405 C THR A 93 -3.390 -0.841 -13.911 1.00 0.00 C ATOM 1406 O THR A 93 -2.855 -0.059 -14.697 1.00 0.00 O ATOM 1407 CB THR A 93 -4.929 1.041 -13.315 1.00 0.00 C ATOM 1408 OG1 THR A 93 -3.831 1.963 -13.355 1.00 0.00 O ATOM 1409 CG2 THR A 93 -5.972 1.543 -12.328 1.00 0.00 C ATOM 0 H THR A 93 -3.740 0.608 -11.165 1.00 0.00 H new ATOM 0 HA THR A 93 -5.258 -1.046 -12.890 1.00 0.00 H new ATOM 0 HB THR A 93 -5.385 0.965 -14.302 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.011 1.485 -13.601 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.322 2.528 -12.638 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.813 0.850 -12.304 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.530 1.611 -11.334 1.00 0.00 H new ATOM 1486 N HIS A 99 4.205 -0.910 -23.341 1.00 0.00 N ATOM 1487 CA HIS A 99 4.870 -1.367 -24.555 1.00 0.00 C ATOM 1488 C HIS A 99 4.634 -0.400 -25.709 1.00 0.00 C ATOM 1489 O HIS A 99 5.576 0.027 -26.376 1.00 0.00 O ATOM 1490 CB HIS A 99 4.385 -2.766 -24.945 1.00 0.00 C ATOM 1491 CG HIS A 99 5.078 -3.331 -26.147 1.00 0.00 C ATOM 1492 ND1 HIS A 99 6.392 -3.748 -26.118 1.00 0.00 N ATOM 1493 CD2 HIS A 99 4.641 -3.544 -27.409 1.00 0.00 C ATOM 1494 CE1 HIS A 99 6.733 -4.197 -27.314 1.00 0.00 C ATOM 1495 NE2 HIS A 99 5.690 -4.083 -28.115 1.00 0.00 N ATOM 0 HA HIS A 99 5.940 -1.407 -24.349 1.00 0.00 H new ATOM 0 HB2 HIS A 99 4.533 -3.440 -24.101 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.313 -2.728 -25.139 1.00 0.00 H new ATOM 0 HD2 HIS A 99 3.653 -3.331 -27.790 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.701 -4.590 -27.589 1.00 0.00 H new ATOM 0 HE2 HIS A 99 5.666 -4.351 -29.099 1.00 0.00 H new ATOM 1502 N ALA A 100 3.370 -0.060 -25.939 1.00 0.00 N ATOM 1503 CA ALA A 100 3.012 0.886 -26.988 1.00 0.00 C ATOM 1504 C ALA A 100 3.842 2.160 -26.890 1.00 0.00 C ATOM 1505 O ALA A 100 4.517 2.548 -27.843 1.00 0.00 O ATOM 1506 CB ALA A 100 1.527 1.216 -26.920 1.00 0.00 C ATOM 0 H ALA A 100 2.577 -0.426 -25.413 1.00 0.00 H new ATOM 0 HA ALA A 100 3.226 0.418 -27.949 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.275 1.924 -27.710 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.945 0.304 -27.051 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.296 1.657 -25.950 1.00 0.00 H new ATOM 1512 N MET A 101 3.787 2.807 -25.731 1.00 0.00 N ATOM 1513 CA MET A 101 4.561 4.019 -25.493 1.00 0.00 C ATOM 1514 C MET A 101 6.046 3.780 -25.735 1.00 0.00 C ATOM 1515 O MET A 101 6.675 4.477 -26.532 1.00 0.00 O ATOM 1516 CB MET A 101 4.328 4.524 -24.071 1.00 0.00 C ATOM 1517 CG MET A 101 2.939 5.098 -23.826 1.00 0.00 C ATOM 1518 SD MET A 101 2.779 5.863 -22.200 1.00 0.00 S ATOM 1519 CE MET A 101 2.686 4.414 -21.153 1.00 0.00 C ATOM 0 H MET A 101 3.214 2.512 -24.941 1.00 0.00 H new ATOM 0 HA MET A 101 4.224 4.780 -26.197 1.00 0.00 H new ATOM 0 HB2 MET A 101 4.496 3.702 -23.375 1.00 0.00 H new ATOM 0 HB3 MET A 101 5.069 5.290 -23.845 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.715 5.838 -24.595 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.199 4.303 -23.924 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.513 4.721 -20.121 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.865 3.778 -21.484 1.00 0.00 H new ATOM 0 HE3 MET A 101 3.623 3.860 -21.215 1.00 0.00 H new ATOM 1529 N PHE A 102 6.602 2.791 -25.043 1.00 0.00 N ATOM 1530 CA PHE A 102 8.037 2.539 -25.085 1.00 0.00 C ATOM 1531 C PHE A 102 8.485 2.139 -26.485 1.00 0.00 C ATOM 1532 O PHE A 102 9.416 2.722 -27.040 1.00 0.00 O ATOM 1533 CB PHE A 102 8.416 1.441 -24.089 1.00 0.00 C ATOM 1534 CG PHE A 102 9.869 1.060 -24.132 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.856 2.008 -23.906 1.00 0.00 C ATOM 1536 CD2 PHE A 102 10.250 -0.246 -24.397 1.00 0.00 C ATOM 1537 CE1 PHE A 102 12.193 1.657 -23.946 1.00 0.00 C ATOM 1538 CE2 PHE A 102 11.585 -0.599 -24.436 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.558 0.355 -24.210 1.00 0.00 C ATOM 0 H PHE A 102 6.079 2.150 -24.446 1.00 0.00 H new ATOM 0 HA PHE A 102 8.544 3.464 -24.811 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.167 1.775 -23.082 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.812 0.556 -24.290 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.578 3.030 -23.697 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.494 -0.997 -24.575 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.952 2.405 -23.770 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.868 -1.621 -24.643 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.602 0.081 -24.240 1.00 0.00 H new ATOM 1549 N ALA A 103 7.817 1.139 -27.050 1.00 0.00 N ATOM 1550 CA ALA A 103 8.147 0.656 -28.387 1.00 0.00 C ATOM 1551 C ALA A 103 8.093 1.783 -29.409 1.00 0.00 C ATOM 1552 O ALA A 103 8.836 1.780 -30.390 1.00 0.00 O ATOM 1553 CB ALA A 103 7.207 -0.470 -28.790 1.00 0.00 C ATOM 0 H ALA A 103 7.043 0.647 -26.603 1.00 0.00 H new ATOM 0 HA ALA A 103 9.167 0.272 -28.364 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.466 -0.820 -29.789 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.301 -1.293 -28.082 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.180 -0.105 -28.788 1.00 0.00 H new ATOM 1559 N GLU A 104 7.210 2.747 -29.174 1.00 0.00 N ATOM 1560 CA GLU A 104 7.103 3.916 -30.038 1.00 0.00 C ATOM 1561 C GLU A 104 8.262 4.878 -29.811 1.00 0.00 C ATOM 1562 O GLU A 104 8.851 5.391 -30.762 1.00 0.00 O ATOM 1563 CB GLU A 104 5.775 4.639 -29.796 1.00 0.00 C ATOM 1564 CG GLU A 104 5.569 5.879 -30.655 1.00 0.00 C ATOM 1565 CD GLU A 104 5.475 5.566 -32.122 1.00 0.00 C ATOM 1566 OE1 GLU A 104 5.176 4.444 -32.453 1.00 0.00 O ATOM 1567 OE2 GLU A 104 5.702 6.451 -32.913 1.00 0.00 O1- ATOM 0 H GLU A 104 6.557 2.742 -28.391 1.00 0.00 H new ATOM 0 HA GLU A 104 7.141 3.570 -31.071 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.957 3.943 -29.982 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.717 4.925 -28.746 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.658 6.387 -30.338 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.394 6.571 -30.489 1.00 0.00 H new ATOM 1574 N PHE A 105 8.587 5.117 -28.545 1.00 0.00 N ATOM 1575 CA PHE A 105 9.612 6.090 -28.187 1.00 0.00 C ATOM 1576 C PHE A 105 11.004 5.574 -28.531 1.00 0.00 C ATOM 1577 O PHE A 105 11.745 6.212 -29.277 1.00 0.00 O ATOM 1578 CB PHE A 105 9.539 6.419 -26.695 1.00 0.00 C ATOM 1579 CG PHE A 105 8.277 7.125 -26.291 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.729 6.931 -25.032 1.00 0.00 C ATOM 1581 CD2 PHE A 105 7.635 7.985 -27.169 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.567 7.580 -24.660 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.474 8.636 -26.799 1.00 0.00 C ATOM 1584 CZ PHE A 105 5.940 8.433 -25.542 1.00 0.00 C ATOM 0 H PHE A 105 8.154 4.649 -27.749 1.00 0.00 H new ATOM 0 HA PHE A 105 9.426 6.996 -28.764 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.626 5.495 -26.124 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.394 7.040 -26.427 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.216 6.265 -24.335 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.047 8.148 -28.154 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.150 7.418 -23.677 1.00 0.00 H new ATOM 0 HE2 PHE A 105 5.984 9.303 -27.493 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.033 8.942 -25.251 1.00 0.00 H new ATOM 1594 N PHE A 106 11.352 4.415 -27.983 1.00 0.00 N ATOM 1595 CA PHE A 106 12.723 3.920 -28.044 1.00 0.00 C ATOM 1596 C PHE A 106 12.806 2.630 -28.851 1.00 0.00 C ATOM 1597 O PHE A 106 13.825 2.346 -29.481 1.00 0.00 O ATOM 1598 CB PHE A 106 13.268 3.683 -26.634 1.00 0.00 C ATOM 1599 CG PHE A 106 13.304 4.920 -25.783 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.280 5.190 -24.886 1.00 0.00 C ATOM 1601 CD2 PHE A 106 14.359 5.813 -25.875 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.312 6.329 -24.102 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.394 6.950 -25.092 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.368 7.207 -24.204 1.00 0.00 C ATOM 0 H PHE A 106 10.704 3.800 -27.491 1.00 0.00 H new ATOM 0 HA PHE A 106 13.329 4.678 -28.541 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.654 2.930 -26.139 1.00 0.00 H new ATOM 0 HB3 PHE A 106 14.276 3.274 -26.708 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.450 4.504 -24.799 1.00 0.00 H new ATOM 0 HD2 PHE A 106 15.164 5.618 -26.568 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.508 6.530 -23.409 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.223 7.638 -25.174 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.394 8.095 -23.590 1.00 0.00 H new ATOM 1614 N GLY A 107 11.729 1.852 -28.827 1.00 0.00 N ATOM 1615 CA GLY A 107 11.622 0.666 -29.667 1.00 0.00 C ATOM 1616 C GLY A 107 12.448 -0.484 -29.106 1.00 0.00 C ATOM 1617 O GLY A 107 12.921 -1.343 -29.851 1.00 0.00 O ATOM 0 H GLY A 107 10.917 2.022 -28.234 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.577 0.364 -29.742 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.959 0.901 -30.677 1.00 0.00 H new ATOM 1621 N GLY A 108 12.615 -0.497 -27.788 1.00 0.00 N ATOM 1622 CA GLY A 108 13.351 -1.564 -27.119 1.00 0.00 C ATOM 1623 C GLY A 108 14.840 -1.488 -27.435 1.00 0.00 C ATOM 1624 O GLY A 108 15.505 -2.512 -27.584 1.00 0.00 O ATOM 0 H GLY A 108 12.250 0.220 -27.161 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.201 -1.493 -26.042 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.959 -2.532 -27.432 1.00 0.00 H new