USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 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 36 LYS NZ :NH3+ -130:sc= 1.23 (180deg=0.303) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.779! K(o=0.45!,f=-0.78) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -172:sc= -1.4 USER MOD Single : A 11 THR OG1 : rot 166:sc= 2.09 USER MOD Single : A 15 TYR OH : rot -116:sc= 0.363 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 24 THR OG1 : rot -126:sc= 1.06 USER MOD Single : A 32 HIS : no HE2:sc= 0.843 K(o=0.84,f=-3.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -114:sc= 1.14 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0.957 (180deg=0.725) USER MOD Single : A 49 ASN : amide:sc= 0.396 K(o=0.4,f=-0.32) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 0.657 (180deg=0.4) USER MOD Single : A 58 ASN : amide:sc= -0.242 X(o=-0.24,f=0.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -9.703 2.527 -3.286 1.00 0.00 N ATOM 77 CA GLU A 7 -9.392 2.982 -1.964 1.00 0.00 C ATOM 78 C GLU A 7 -7.979 3.524 -2.008 1.00 0.00 C ATOM 79 O GLU A 7 -7.123 2.957 -2.688 1.00 0.00 O ATOM 80 CB GLU A 7 -9.529 1.843 -0.936 1.00 0.00 C ATOM 81 CG GLU A 7 -10.932 1.232 -0.839 1.00 0.00 C ATOM 82 CD GLU A 7 -11.059 0.219 0.284 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.373 0.621 1.439 1.00 0.00 O ATOM 84 OE2 GLU A 7 -10.864 -0.983 0.054 1.00 0.00 O ATOM 0 HA GLU A 7 -10.089 3.758 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.821 1.054 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.244 2.222 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.660 2.029 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.179 0.751 -1.785 1.00 0.00 H new ATOM 91 N TYR A 8 -7.727 4.606 -1.332 1.00 0.00 N ATOM 92 CA TYR A 8 -6.436 5.252 -1.446 1.00 0.00 C ATOM 93 C TYR A 8 -5.792 5.366 -0.099 1.00 0.00 C ATOM 94 O TYR A 8 -6.452 5.674 0.905 1.00 0.00 O ATOM 95 CB TYR A 8 -6.550 6.646 -2.083 1.00 0.00 C ATOM 96 CG TYR A 8 -7.308 6.674 -3.405 1.00 0.00 C ATOM 97 CD1 TYR A 8 -8.701 6.713 -3.438 1.00 0.00 C ATOM 98 CD2 TYR A 8 -6.631 6.653 -4.612 1.00 0.00 C ATOM 99 CE1 TYR A 8 -9.388 6.721 -4.632 1.00 0.00 C ATOM 100 CE2 TYR A 8 -7.315 6.666 -5.814 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.693 6.697 -5.816 1.00 0.00 C ATOM 102 OH TYR A 8 -9.381 6.702 -7.016 1.00 0.00 O ATOM 0 H TYR A 8 -8.385 5.062 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.818 4.633 -2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.046 7.314 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.547 7.041 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.252 6.737 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.551 6.626 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.468 6.746 -4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.772 6.652 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.743 6.684 -7.759 1.00 0.00 H new ATOM 112 N CYS A 9 -4.528 5.110 -0.058 1.00 0.00 N ATOM 113 CA CYS A 9 -3.786 5.179 1.168 1.00 0.00 C ATOM 114 C CYS A 9 -2.565 6.049 0.976 1.00 0.00 C ATOM 115 O CYS A 9 -1.913 5.969 -0.049 1.00 0.00 O ATOM 116 CB CYS A 9 -3.369 3.773 1.594 1.00 0.00 C ATOM 117 SG CYS A 9 -4.747 2.613 1.707 1.00 0.00 S ATOM 0 H CYS A 9 -3.973 4.846 -0.872 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.411 5.615 1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.639 3.388 0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.871 3.828 2.562 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.333 1.498 2.231 1.00 0.00 H new ATOM 123 N ARG A 10 -2.280 6.892 1.929 1.00 0.00 N ATOM 124 CA ARG A 10 -1.090 7.695 1.863 1.00 0.00 C ATOM 125 C ARG A 10 -0.055 7.083 2.758 1.00 0.00 C ATOM 126 O ARG A 10 -0.371 6.646 3.869 1.00 0.00 O ATOM 127 CB ARG A 10 -1.312 9.164 2.281 1.00 0.00 C ATOM 128 CG ARG A 10 0.008 9.934 2.293 1.00 0.00 C ATOM 129 CD ARG A 10 -0.089 11.352 2.790 1.00 0.00 C ATOM 130 NE ARG A 10 1.266 11.906 2.954 1.00 0.00 N ATOM 131 CZ ARG A 10 1.697 13.088 2.497 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.880 13.888 1.821 1.00 0.00 N ATOM 133 NH2 ARG A 10 2.956 13.450 2.701 1.00 0.00 N ATOM 0 H ARG A 10 -2.854 7.041 2.759 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.769 7.712 0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.009 9.641 1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.767 9.200 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.721 9.394 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.414 9.946 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.659 11.958 2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.623 11.381 3.740 1.00 0.00 H new ATOM 0 HE ARG A 10 1.940 11.335 3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.084 13.603 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.216 14.787 1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.590 12.829 3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.290 14.349 2.355 1.00 0.00 H new ATOM 147 N THR A 11 1.144 7.025 2.284 1.00 0.00 N ATOM 148 CA THR A 11 2.232 6.538 3.051 1.00 0.00 C ATOM 149 C THR A 11 2.616 7.561 4.119 1.00 0.00 C ATOM 150 O THR A 11 2.679 8.769 3.846 1.00 0.00 O ATOM 151 CB THR A 11 3.417 6.242 2.128 1.00 0.00 C ATOM 152 OG1 THR A 11 3.747 7.413 1.359 1.00 0.00 O ATOM 153 CG2 THR A 11 3.049 5.135 1.173 1.00 0.00 C ATOM 0 H THR A 11 1.395 7.319 1.340 1.00 0.00 H new ATOM 0 HA THR A 11 1.942 5.615 3.552 1.00 0.00 H new ATOM 0 HB THR A 11 4.270 5.947 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.627 7.295 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.893 4.925 0.516 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.796 4.237 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.191 5.441 0.574 1.00 0.00 H new ATOM 161 N LEU A 12 2.806 7.100 5.330 1.00 0.00 N ATOM 162 CA LEU A 12 3.197 7.976 6.417 1.00 0.00 C ATOM 163 C LEU A 12 4.681 7.871 6.632 1.00 0.00 C ATOM 164 O LEU A 12 5.302 8.738 7.248 1.00 0.00 O ATOM 165 CB LEU A 12 2.466 7.596 7.705 1.00 0.00 C ATOM 166 CG LEU A 12 0.947 7.748 7.694 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.369 7.268 9.009 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.557 9.196 7.449 1.00 0.00 C ATOM 0 H LEU A 12 2.697 6.121 5.593 1.00 0.00 H new ATOM 0 HA LEU A 12 2.931 9.000 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.704 6.558 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.864 8.205 8.516 1.00 0.00 H new ATOM 0 HG LEU A 12 0.543 7.140 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.715 7.380 8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.623 6.218 9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.782 7.860 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.529 9.284 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.969 9.823 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.951 9.521 6.486 1.00 0.00 H new ATOM 180 N PHE A 13 5.248 6.807 6.114 1.00 0.00 N ATOM 181 CA PHE A 13 6.656 6.539 6.213 1.00 0.00 C ATOM 182 C PHE A 13 7.090 5.872 4.938 1.00 0.00 C ATOM 183 O PHE A 13 6.268 5.233 4.281 1.00 0.00 O ATOM 184 CB PHE A 13 6.960 5.618 7.415 1.00 0.00 C ATOM 185 CG PHE A 13 6.617 6.225 8.735 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.425 7.198 9.280 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.474 5.847 9.416 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.107 7.790 10.474 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.153 6.432 10.617 1.00 0.00 C ATOM 190 CZ PHE A 13 5.974 7.408 11.143 1.00 0.00 C ATOM 0 H PHE A 13 4.730 6.092 5.603 1.00 0.00 H new ATOM 0 HA PHE A 13 7.197 7.473 6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.406 4.687 7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.019 5.362 7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.322 7.499 8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.829 5.087 9.001 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.748 8.555 10.887 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.262 6.129 11.147 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.723 7.872 12.085 1.00 0.00 H new ATOM 200 N PRO A 14 8.345 6.050 4.525 1.00 0.00 N ATOM 201 CA PRO A 14 8.864 5.379 3.357 1.00 0.00 C ATOM 202 C PRO A 14 9.263 3.942 3.701 1.00 0.00 C ATOM 203 O PRO A 14 9.573 3.628 4.862 1.00 0.00 O ATOM 204 CB PRO A 14 10.084 6.220 2.988 1.00 0.00 C ATOM 205 CG PRO A 14 10.570 6.771 4.280 1.00 0.00 C ATOM 206 CD PRO A 14 9.361 6.916 5.167 1.00 0.00 C ATOM 0 HA PRO A 14 8.144 5.300 2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.850 5.615 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.820 7.017 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.305 6.106 4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.059 7.734 4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.573 6.596 6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.027 7.952 5.221 1.00 0.00 H new ATOM 214 N TYR A 15 9.249 3.085 2.727 1.00 0.00 N ATOM 215 CA TYR A 15 9.569 1.699 2.938 1.00 0.00 C ATOM 216 C TYR A 15 10.157 1.127 1.679 1.00 0.00 C ATOM 217 O TYR A 15 9.675 1.411 0.581 1.00 0.00 O ATOM 218 CB TYR A 15 8.305 0.930 3.362 1.00 0.00 C ATOM 219 CG TYR A 15 8.475 -0.562 3.523 1.00 0.00 C ATOM 220 CD1 TYR A 15 9.140 -1.094 4.617 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.950 -1.438 2.583 1.00 0.00 C ATOM 222 CE1 TYR A 15 9.276 -2.457 4.769 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.085 -2.798 2.726 1.00 0.00 C ATOM 224 CZ TYR A 15 8.747 -3.302 3.819 1.00 0.00 C ATOM 225 OH TYR A 15 8.879 -4.658 3.966 1.00 0.00 O ATOM 0 H TYR A 15 9.016 3.322 1.763 1.00 0.00 H new ATOM 0 HA TYR A 15 10.304 1.605 3.737 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.950 1.342 4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.525 1.112 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.557 -0.431 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.426 -1.044 1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.794 -2.860 5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.673 -3.466 1.984 1.00 0.00 H new ATOM 0 HH TYR A 15 9.421 -5.015 3.232 1.00 0.00 H new ATOM 235 N THR A 16 11.205 0.371 1.829 1.00 0.00 N ATOM 236 CA THR A 16 11.839 -0.266 0.728 1.00 0.00 C ATOM 237 C THR A 16 11.441 -1.731 0.729 1.00 0.00 C ATOM 238 O THR A 16 11.517 -2.395 1.766 1.00 0.00 O ATOM 239 CB THR A 16 13.371 -0.135 0.846 1.00 0.00 C ATOM 240 OG1 THR A 16 13.700 1.248 1.055 1.00 0.00 O ATOM 241 CG2 THR A 16 14.066 -0.622 -0.421 1.00 0.00 C ATOM 0 H THR A 16 11.643 0.182 2.731 1.00 0.00 H new ATOM 0 HA THR A 16 11.527 0.206 -0.204 1.00 0.00 H new ATOM 0 HB THR A 16 13.710 -0.747 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.672 1.345 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.145 -0.517 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.819 -1.670 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.731 -0.028 -1.271 1.00 0.00 H new ATOM 249 N GLY A 17 10.978 -2.210 -0.392 1.00 0.00 N ATOM 250 CA GLY A 17 10.634 -3.584 -0.505 1.00 0.00 C ATOM 251 C GLY A 17 11.862 -4.391 -0.793 1.00 0.00 C ATOM 252 O GLY A 17 12.693 -3.983 -1.599 1.00 0.00 O ATOM 0 H GLY A 17 10.833 -1.660 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.169 -3.929 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.902 -3.721 -1.301 1.00 0.00 H new ATOM 256 N THR A 18 12.000 -5.513 -0.147 1.00 0.00 N ATOM 257 CA THR A 18 13.169 -6.336 -0.327 1.00 0.00 C ATOM 258 C THR A 18 12.902 -7.304 -1.475 1.00 0.00 C ATOM 259 O THR A 18 13.811 -7.892 -2.068 1.00 0.00 O ATOM 260 CB THR A 18 13.527 -7.096 0.995 1.00 0.00 C ATOM 261 OG1 THR A 18 14.778 -7.784 0.871 1.00 0.00 O ATOM 262 CG2 THR A 18 12.439 -8.096 1.375 1.00 0.00 C ATOM 0 H THR A 18 11.316 -5.883 0.513 1.00 0.00 H new ATOM 0 HA THR A 18 14.029 -5.713 -0.572 1.00 0.00 H new ATOM 0 HB THR A 18 13.606 -6.346 1.782 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.980 -8.249 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.719 -8.606 2.297 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.496 -7.569 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.323 -8.828 0.576 1.00 0.00 H new ATOM 270 N ASN A 19 11.648 -7.407 -1.809 1.00 0.00 N ATOM 271 CA ASN A 19 11.194 -8.262 -2.853 1.00 0.00 C ATOM 272 C ASN A 19 10.621 -7.401 -3.931 1.00 0.00 C ATOM 273 O ASN A 19 10.223 -6.276 -3.660 1.00 0.00 O ATOM 274 CB ASN A 19 10.104 -9.208 -2.344 1.00 0.00 C ATOM 275 CG ASN A 19 10.563 -10.180 -1.282 1.00 0.00 C ATOM 276 OD1 ASN A 19 11.734 -10.559 -1.222 1.00 0.00 O ATOM 277 ND2 ASN A 19 9.651 -10.606 -0.445 1.00 0.00 N ATOM 0 H ASN A 19 10.901 -6.885 -1.350 1.00 0.00 H new ATOM 0 HA ASN A 19 12.027 -8.861 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.283 -8.614 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.707 -9.772 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.901 -11.273 0.286 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.691 -10.271 -0.523 1.00 0.00 H new ATOM 284 N GLU A 20 10.569 -7.906 -5.133 1.00 0.00 N ATOM 285 CA GLU A 20 9.991 -7.176 -6.261 1.00 0.00 C ATOM 286 C GLU A 20 8.483 -6.970 -6.048 1.00 0.00 C ATOM 287 O GLU A 20 7.893 -5.981 -6.483 1.00 0.00 O ATOM 288 CB GLU A 20 10.225 -7.952 -7.548 1.00 0.00 C ATOM 289 CG GLU A 20 9.666 -9.365 -7.511 1.00 0.00 C ATOM 290 CD GLU A 20 9.678 -10.019 -8.840 1.00 0.00 C ATOM 291 OE1 GLU A 20 8.860 -9.630 -9.693 1.00 0.00 O ATOM 292 OE2 GLU A 20 10.463 -10.948 -9.053 1.00 0.00 O ATOM 0 H GLU A 20 10.922 -8.833 -5.373 1.00 0.00 H new ATOM 0 HA GLU A 20 10.473 -6.201 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.770 -7.411 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.296 -7.998 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.248 -9.964 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.644 -9.337 -7.133 1.00 0.00 H new ATOM 299 N ASP A 21 7.897 -7.917 -5.359 1.00 0.00 N ATOM 300 CA ASP A 21 6.486 -7.947 -5.048 1.00 0.00 C ATOM 301 C ASP A 21 6.219 -7.324 -3.680 1.00 0.00 C ATOM 302 O ASP A 21 5.117 -7.431 -3.125 1.00 0.00 O ATOM 303 CB ASP A 21 5.990 -9.393 -5.100 1.00 0.00 C ATOM 304 CG ASP A 21 6.771 -10.319 -4.191 1.00 0.00 C ATOM 305 OD1 ASP A 21 7.868 -10.781 -4.606 1.00 0.00 O ATOM 306 OD2 ASP A 21 6.307 -10.618 -3.080 1.00 0.00 O ATOM 0 H ASP A 21 8.406 -8.718 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 21 5.942 -7.358 -5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.937 -9.421 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.057 -9.758 -6.125 1.00 0.00 H new ATOM 311 N GLU A 22 7.218 -6.667 -3.156 1.00 0.00 N ATOM 312 CA GLU A 22 7.101 -5.935 -1.931 1.00 0.00 C ATOM 313 C GLU A 22 7.294 -4.478 -2.330 1.00 0.00 C ATOM 314 O GLU A 22 8.360 -4.093 -2.824 1.00 0.00 O ATOM 315 CB GLU A 22 8.146 -6.423 -0.925 1.00 0.00 C ATOM 316 CG GLU A 22 7.976 -5.894 0.481 1.00 0.00 C ATOM 317 CD GLU A 22 9.007 -6.465 1.428 1.00 0.00 C ATOM 318 OE1 GLU A 22 8.835 -7.593 1.913 1.00 0.00 O ATOM 319 OE2 GLU A 22 10.013 -5.783 1.703 1.00 0.00 O ATOM 0 H GLU A 22 8.147 -6.627 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 22 6.140 -6.072 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.117 -7.512 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.135 -6.141 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.055 -4.807 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.977 -6.138 0.842 1.00 0.00 H new ATOM 326 N LEU A 23 6.261 -3.703 -2.163 1.00 0.00 N ATOM 327 CA LEU A 23 6.177 -2.373 -2.745 1.00 0.00 C ATOM 328 C LEU A 23 7.133 -1.374 -2.070 1.00 0.00 C ATOM 329 O LEU A 23 7.051 -1.123 -0.868 1.00 0.00 O ATOM 330 CB LEU A 23 4.713 -1.885 -2.675 1.00 0.00 C ATOM 331 CG LEU A 23 4.191 -1.006 -3.839 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.734 -0.651 -3.613 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.015 0.257 -4.024 1.00 0.00 C ATOM 0 H LEU A 23 5.442 -3.968 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 23 6.493 -2.433 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.070 -2.762 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.591 -1.323 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 23 4.287 -1.591 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.378 -0.033 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.141 -1.564 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.635 -0.100 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.609 0.838 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.980 0.851 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.049 -0.012 -4.242 1.00 0.00 H new ATOM 345 N THR A 24 8.033 -0.824 -2.861 1.00 0.00 N ATOM 346 CA THR A 24 8.935 0.208 -2.408 1.00 0.00 C ATOM 347 C THR A 24 8.284 1.575 -2.636 1.00 0.00 C ATOM 348 O THR A 24 7.933 1.928 -3.767 1.00 0.00 O ATOM 349 CB THR A 24 10.267 0.124 -3.194 1.00 0.00 C ATOM 350 OG1 THR A 24 10.896 -1.136 -2.935 1.00 0.00 O ATOM 351 CG2 THR A 24 11.218 1.261 -2.832 1.00 0.00 C ATOM 0 H THR A 24 8.157 -1.084 -3.840 1.00 0.00 H new ATOM 0 HA THR A 24 9.143 0.073 -1.347 1.00 0.00 H new ATOM 0 HB THR A 24 10.035 0.216 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.813 -0.986 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.139 1.162 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.747 2.217 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.448 1.218 -1.768 1.00 0.00 H new ATOM 359 N PHE A 25 8.096 2.315 -1.576 1.00 0.00 N ATOM 360 CA PHE A 25 7.483 3.613 -1.654 1.00 0.00 C ATOM 361 C PHE A 25 8.208 4.661 -0.839 1.00 0.00 C ATOM 362 O PHE A 25 9.000 4.341 0.070 1.00 0.00 O ATOM 363 CB PHE A 25 5.995 3.566 -1.296 1.00 0.00 C ATOM 364 CG PHE A 25 5.658 2.838 -0.028 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.905 3.400 1.215 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.079 1.592 -0.086 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.574 2.725 2.367 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.749 0.918 1.055 1.00 0.00 C ATOM 369 CZ PHE A 25 4.994 1.478 2.286 1.00 0.00 C ATOM 0 H PHE A 25 8.364 2.034 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 25 7.566 3.917 -2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.626 4.589 -1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.456 3.096 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.361 4.377 1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.883 1.140 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.768 3.171 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.294 -0.059 0.990 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.733 0.942 3.187 1.00 0.00 H new ATOM 379 N ARG A 26 7.932 5.899 -1.159 1.00 0.00 N ATOM 380 CA ARG A 26 8.436 7.024 -0.420 1.00 0.00 C ATOM 381 C ARG A 26 7.296 7.597 0.417 1.00 0.00 C ATOM 382 O ARG A 26 6.157 7.135 0.303 1.00 0.00 O ATOM 383 CB ARG A 26 9.004 8.094 -1.361 1.00 0.00 C ATOM 384 CG ARG A 26 10.230 7.664 -2.163 1.00 0.00 C ATOM 385 CD ARG A 26 11.338 7.110 -1.265 1.00 0.00 C ATOM 386 NE ARG A 26 11.750 8.037 -0.192 1.00 0.00 N ATOM 387 CZ ARG A 26 12.585 7.710 0.813 1.00 0.00 C ATOM 388 NH1 ARG A 26 13.125 6.494 0.861 1.00 0.00 N ATOM 389 NH2 ARG A 26 12.869 8.600 1.770 1.00 0.00 N ATOM 0 H ARG A 26 7.343 6.156 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 26 9.250 6.699 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.221 8.397 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.264 8.973 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.940 6.906 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.612 8.516 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.998 6.177 -0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.206 6.870 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 26 11.378 8.987 -0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.906 5.810 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.757 6.246 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.453 9.531 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.502 8.348 2.529 1.00 0.00 H new ATOM 403 N GLU A 27 7.581 8.571 1.241 1.00 0.00 N ATOM 404 CA GLU A 27 6.565 9.168 2.087 1.00 0.00 C ATOM 405 C GLU A 27 5.891 10.292 1.320 1.00 0.00 C ATOM 406 O GLU A 27 6.561 11.221 0.837 1.00 0.00 O ATOM 407 CB GLU A 27 7.205 9.650 3.408 1.00 0.00 C ATOM 408 CG GLU A 27 6.246 10.154 4.501 1.00 0.00 C ATOM 409 CD GLU A 27 5.644 11.522 4.251 1.00 0.00 C ATOM 410 OE1 GLU A 27 6.374 12.517 4.386 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.437 11.616 3.926 1.00 0.00 O ATOM 0 H GLU A 27 8.512 8.974 1.349 1.00 0.00 H new ATOM 0 HA GLU A 27 5.801 8.438 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.790 8.828 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.904 10.452 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.436 9.433 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.783 10.179 5.449 1.00 0.00 H new ATOM 418 N GLY A 28 4.592 10.194 1.192 1.00 0.00 N ATOM 419 CA GLY A 28 3.841 11.171 0.450 1.00 0.00 C ATOM 420 C GLY A 28 3.206 10.565 -0.770 1.00 0.00 C ATOM 421 O GLY A 28 2.630 11.266 -1.603 1.00 0.00 O ATOM 0 H GLY A 28 4.031 9.443 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.069 11.600 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.498 11.988 0.152 1.00 0.00 H new ATOM 425 N GLU A 29 3.291 9.261 -0.871 1.00 0.00 N ATOM 426 CA GLU A 29 2.758 8.550 -2.005 1.00 0.00 C ATOM 427 C GLU A 29 1.345 8.098 -1.726 1.00 0.00 C ATOM 428 O GLU A 29 1.031 7.645 -0.613 1.00 0.00 O ATOM 429 CB GLU A 29 3.640 7.347 -2.362 1.00 0.00 C ATOM 430 CG GLU A 29 5.026 7.714 -2.881 1.00 0.00 C ATOM 431 CD GLU A 29 4.971 8.518 -4.164 1.00 0.00 C ATOM 432 OE1 GLU A 29 4.901 7.912 -5.268 1.00 0.00 O ATOM 433 OE2 GLU A 29 4.999 9.763 -4.098 1.00 0.00 O ATOM 0 H GLU A 29 3.731 8.664 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 29 2.748 9.230 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.751 6.718 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.129 6.749 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.556 8.287 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.600 6.803 -3.051 1.00 0.00 H new ATOM 440 N ILE A 30 0.495 8.260 -2.709 1.00 0.00 N ATOM 441 CA ILE A 30 -0.876 7.825 -2.626 1.00 0.00 C ATOM 442 C ILE A 30 -0.975 6.493 -3.341 1.00 0.00 C ATOM 443 O ILE A 30 -0.720 6.405 -4.545 1.00 0.00 O ATOM 444 CB ILE A 30 -1.848 8.848 -3.284 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.664 10.255 -2.678 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.301 8.388 -3.149 1.00 0.00 C ATOM 447 CD1 ILE A 30 -1.873 10.335 -1.178 1.00 0.00 C ATOM 0 H ILE A 30 0.737 8.701 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.164 7.737 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.606 8.902 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.658 10.606 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.360 10.938 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.959 9.120 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.424 7.423 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.556 8.293 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.723 11.362 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.887 10.019 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.159 9.682 -0.676 1.00 0.00 H new ATOM 459 N ILE A 31 -1.323 5.484 -2.613 1.00 0.00 N ATOM 460 CA ILE A 31 -1.341 4.134 -3.118 1.00 0.00 C ATOM 461 C ILE A 31 -2.765 3.729 -3.406 1.00 0.00 C ATOM 462 O ILE A 31 -3.685 4.107 -2.666 1.00 0.00 O ATOM 463 CB ILE A 31 -0.710 3.134 -2.085 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.734 3.539 -1.753 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.747 1.690 -2.602 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.412 2.630 -0.742 1.00 0.00 C ATOM 0 H ILE A 31 -1.608 5.566 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.748 4.099 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.310 3.181 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.320 3.544 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.735 4.559 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.302 1.027 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.781 1.394 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.185 1.622 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.428 2.981 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.851 2.643 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.444 1.613 -1.132 1.00 0.00 H new ATOM 478 N HIS A 32 -2.944 3.002 -4.473 1.00 0.00 N ATOM 479 CA HIS A 32 -4.224 2.475 -4.848 1.00 0.00 C ATOM 480 C HIS A 32 -4.329 1.123 -4.188 1.00 0.00 C ATOM 481 O HIS A 32 -3.531 0.231 -4.473 1.00 0.00 O ATOM 482 CB HIS A 32 -4.315 2.319 -6.381 1.00 0.00 C ATOM 483 CG HIS A 32 -4.037 3.581 -7.149 1.00 0.00 C ATOM 484 ND1 HIS A 32 -3.179 3.656 -8.233 1.00 0.00 N ATOM 485 CD2 HIS A 32 -4.529 4.829 -6.978 1.00 0.00 C ATOM 486 CE1 HIS A 32 -3.173 4.915 -8.668 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.983 5.673 -7.939 1.00 0.00 N ATOM 0 H HIS A 32 -2.192 2.756 -5.116 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.030 3.140 -4.538 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.609 1.551 -6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.312 1.962 -6.640 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -2.645 2.883 -8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.235 5.124 -6.215 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.587 5.271 -9.502 1.00 0.00 H new ATOM 495 N LEU A 33 -5.241 0.990 -3.280 1.00 0.00 N ATOM 496 CA LEU A 33 -5.387 -0.224 -2.523 1.00 0.00 C ATOM 497 C LEU A 33 -6.011 -1.287 -3.413 1.00 0.00 C ATOM 498 O LEU A 33 -7.046 -1.058 -4.044 1.00 0.00 O ATOM 499 CB LEU A 33 -6.237 0.063 -1.277 1.00 0.00 C ATOM 500 CG LEU A 33 -6.241 -0.963 -0.128 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.913 -0.346 1.073 1.00 0.00 C ATOM 502 CD2 LEU A 33 -6.980 -2.237 -0.504 1.00 0.00 C ATOM 0 H LEU A 33 -5.911 1.720 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.419 -0.596 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.908 1.017 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.268 0.196 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.206 -1.227 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.922 -1.063 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.366 0.547 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.937 -0.075 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.958 -2.932 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.015 -1.998 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.498 -2.696 -1.367 1.00 0.00 H new ATOM 514 N ILE A 34 -5.367 -2.422 -3.472 1.00 0.00 N ATOM 515 CA ILE A 34 -5.804 -3.507 -4.306 1.00 0.00 C ATOM 516 C ILE A 34 -6.491 -4.576 -3.463 1.00 0.00 C ATOM 517 O ILE A 34 -7.630 -4.947 -3.738 1.00 0.00 O ATOM 518 CB ILE A 34 -4.602 -4.099 -5.116 1.00 0.00 C ATOM 519 CG1 ILE A 34 -3.984 -3.028 -6.026 1.00 0.00 C ATOM 520 CG2 ILE A 34 -4.988 -5.320 -5.938 1.00 0.00 C ATOM 521 CD1 ILE A 34 -4.950 -2.417 -7.029 1.00 0.00 C ATOM 0 H ILE A 34 -4.520 -2.620 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.530 -3.129 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.865 -4.425 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.576 -2.232 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.148 -3.469 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.115 -5.686 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.360 -6.102 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.767 -5.048 -6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.428 -1.671 -7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.340 -3.199 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.775 -1.942 -6.497 1.00 0.00 H new ATOM 533 N SER A 35 -5.823 -5.034 -2.410 1.00 0.00 N ATOM 534 CA SER A 35 -6.379 -6.065 -1.545 1.00 0.00 C ATOM 535 C SER A 35 -5.983 -5.820 -0.079 1.00 0.00 C ATOM 536 O SER A 35 -4.811 -5.577 0.216 1.00 0.00 O ATOM 537 CB SER A 35 -5.895 -7.461 -1.995 1.00 0.00 C ATOM 538 OG SER A 35 -6.177 -7.691 -3.372 1.00 0.00 O ATOM 0 H SER A 35 -4.896 -4.707 -2.136 1.00 0.00 H new ATOM 0 HA SER A 35 -7.465 -6.023 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.822 -7.549 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.379 -8.228 -1.390 1.00 0.00 H new ATOM 0 HG SER A 35 -5.858 -8.582 -3.627 1.00 0.00 H new ATOM 544 N LYS A 36 -6.964 -5.866 0.824 1.00 0.00 N ATOM 545 CA LYS A 36 -6.714 -5.707 2.274 1.00 0.00 C ATOM 546 C LYS A 36 -6.405 -7.046 2.905 1.00 0.00 C ATOM 547 O LYS A 36 -5.898 -7.135 4.022 1.00 0.00 O ATOM 548 CB LYS A 36 -7.925 -5.083 2.982 1.00 0.00 C ATOM 549 CG LYS A 36 -8.116 -3.613 2.703 1.00 0.00 C ATOM 550 CD LYS A 36 -9.368 -3.071 3.362 1.00 0.00 C ATOM 551 CE LYS A 36 -9.559 -1.610 3.011 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.820 -1.064 3.526 1.00 0.00 N ATOM 0 H LYS A 36 -7.945 -6.012 0.585 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.859 -5.041 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.825 -5.619 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.816 -5.226 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.248 -3.060 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.174 -3.452 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.235 -3.646 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.296 -3.185 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.727 -1.032 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.533 -1.495 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.324 -0.572 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.412 -1.839 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.619 -0.393 4.295 1.00 0.00 H new ATOM 566 N GLU A 37 -6.726 -8.073 2.187 1.00 0.00 N ATOM 567 CA GLU A 37 -6.513 -9.408 2.626 1.00 0.00 C ATOM 568 C GLU A 37 -5.477 -10.081 1.742 1.00 0.00 C ATOM 569 O GLU A 37 -5.602 -10.108 0.517 1.00 0.00 O ATOM 570 CB GLU A 37 -7.848 -10.175 2.647 1.00 0.00 C ATOM 571 CG GLU A 37 -8.639 -10.040 1.359 1.00 0.00 C ATOM 572 CD GLU A 37 -9.988 -10.690 1.406 1.00 0.00 C ATOM 573 OE1 GLU A 37 -10.927 -10.093 1.965 1.00 0.00 O ATOM 574 OE2 GLU A 37 -10.156 -11.782 0.838 1.00 0.00 O ATOM 0 H GLU A 37 -7.151 -8.003 1.262 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.124 -9.406 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.650 -11.230 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.454 -9.812 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.764 -8.982 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.064 -10.477 0.543 1.00 0.00 H new ATOM 581 N THR A 38 -4.429 -10.527 2.354 1.00 0.00 N ATOM 582 CA THR A 38 -3.382 -11.269 1.683 1.00 0.00 C ATOM 583 C THR A 38 -3.224 -12.597 2.395 1.00 0.00 C ATOM 584 O THR A 38 -2.240 -13.309 2.238 1.00 0.00 O ATOM 585 CB THR A 38 -2.069 -10.475 1.765 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.905 -10.002 3.116 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.078 -9.295 0.802 1.00 0.00 C ATOM 0 H THR A 38 -4.262 -10.390 3.351 1.00 0.00 H new ATOM 0 HA THR A 38 -3.632 -11.431 0.635 1.00 0.00 H new ATOM 0 HB THR A 38 -1.240 -11.126 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.953 -9.023 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.136 -8.752 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.201 -9.659 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.903 -8.628 1.051 1.00 0.00 H new ATOM 595 N GLY A 39 -4.235 -12.923 3.154 1.00 0.00 N ATOM 596 CA GLY A 39 -4.206 -14.056 4.023 1.00 0.00 C ATOM 597 C GLY A 39 -4.136 -13.551 5.426 1.00 0.00 C ATOM 598 O GLY A 39 -4.919 -13.949 6.293 1.00 0.00 O ATOM 0 H GLY A 39 -5.110 -12.400 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.096 -14.669 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.345 -14.687 3.800 1.00 0.00 H new ATOM 602 N GLU A 40 -3.230 -12.619 5.630 1.00 0.00 N ATOM 603 CA GLU A 40 -3.041 -11.959 6.899 1.00 0.00 C ATOM 604 C GLU A 40 -3.706 -10.598 6.874 1.00 0.00 C ATOM 605 O GLU A 40 -4.010 -10.058 5.797 1.00 0.00 O ATOM 606 CB GLU A 40 -1.545 -11.779 7.228 1.00 0.00 C ATOM 607 CG GLU A 40 -0.822 -13.018 7.749 1.00 0.00 C ATOM 608 CD GLU A 40 -0.859 -14.189 6.816 1.00 0.00 C ATOM 609 OE1 GLU A 40 -0.242 -14.123 5.745 1.00 0.00 O ATOM 610 OE2 GLU A 40 -1.525 -15.185 7.142 1.00 0.00 O ATOM 0 H GLU A 40 -2.593 -12.294 4.903 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.491 -12.587 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.034 -11.436 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.449 -10.987 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.218 -12.760 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.267 -13.311 8.700 1.00 0.00 H new ATOM 617 N ALA A 41 -3.945 -10.058 8.036 1.00 0.00 N ATOM 618 CA ALA A 41 -4.479 -8.735 8.166 1.00 0.00 C ATOM 619 C ALA A 41 -3.358 -7.832 8.628 1.00 0.00 C ATOM 620 O ALA A 41 -3.134 -7.646 9.830 1.00 0.00 O ATOM 621 CB ALA A 41 -5.657 -8.703 9.133 1.00 0.00 C ATOM 0 H ALA A 41 -3.773 -10.528 8.925 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.865 -8.390 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.038 -7.685 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.446 -9.360 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.330 -9.042 10.116 1.00 0.00 H new ATOM 627 N GLY A 42 -2.607 -7.348 7.682 1.00 0.00 N ATOM 628 CA GLY A 42 -1.458 -6.537 7.978 1.00 0.00 C ATOM 629 C GLY A 42 -0.738 -6.202 6.717 1.00 0.00 C ATOM 630 O GLY A 42 -0.396 -5.059 6.475 1.00 0.00 O ATOM 0 H GLY A 42 -2.771 -7.502 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.767 -5.623 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.792 -7.068 8.658 1.00 0.00 H new ATOM 634 N TRP A 43 -0.507 -7.204 5.905 1.00 0.00 N ATOM 635 CA TRP A 43 0.053 -6.968 4.611 1.00 0.00 C ATOM 636 C TRP A 43 -1.059 -6.579 3.676 1.00 0.00 C ATOM 637 O TRP A 43 -2.032 -7.323 3.506 1.00 0.00 O ATOM 638 CB TRP A 43 0.801 -8.191 4.064 1.00 0.00 C ATOM 639 CG TRP A 43 2.085 -8.506 4.771 1.00 0.00 C ATOM 640 CD1 TRP A 43 2.259 -9.346 5.826 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.388 -7.984 4.455 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.583 -9.378 6.184 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.295 -8.553 5.363 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.873 -7.092 3.495 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.660 -8.263 5.342 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.226 -6.805 3.473 1.00 0.00 C ATOM 647 CH2 TRP A 43 6.105 -7.389 4.391 1.00 0.00 C ATOM 0 H TRP A 43 -0.699 -8.182 6.121 1.00 0.00 H new ATOM 0 HA TRP A 43 0.787 -6.166 4.694 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.145 -9.059 4.126 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.014 -8.027 3.008 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.472 -9.905 6.310 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.974 -9.932 6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.203 -6.634 2.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.339 -8.713 6.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.610 -6.118 2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.156 -7.144 4.347 1.00 0.00 H new ATOM 658 N TRP A 44 -0.937 -5.433 3.115 1.00 0.00 N ATOM 659 CA TRP A 44 -1.882 -4.931 2.172 1.00 0.00 C ATOM 660 C TRP A 44 -1.275 -4.961 0.820 1.00 0.00 C ATOM 661 O TRP A 44 -0.077 -4.767 0.668 1.00 0.00 O ATOM 662 CB TRP A 44 -2.310 -3.500 2.512 1.00 0.00 C ATOM 663 CG TRP A 44 -3.439 -3.403 3.486 1.00 0.00 C ATOM 664 CD1 TRP A 44 -4.007 -4.419 4.191 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.156 -2.217 3.842 1.00 0.00 C ATOM 666 NE1 TRP A 44 -5.042 -3.943 4.943 1.00 0.00 N ATOM 667 CE2 TRP A 44 -5.153 -2.594 4.752 1.00 0.00 C ATOM 668 CE3 TRP A 44 -4.055 -0.873 3.477 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -6.048 -1.680 5.301 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.943 0.032 4.025 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.927 -0.377 4.927 1.00 0.00 C ATOM 0 H TRP A 44 -0.160 -4.798 3.299 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.771 -5.561 2.204 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.451 -2.964 2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.597 -2.992 1.591 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.686 -5.450 4.160 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.638 -4.505 5.551 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.297 -0.547 2.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.811 -1.993 5.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.875 1.074 3.751 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.606 0.356 5.337 1.00 0.00 H new ATOM 682 N LYS A 45 -2.071 -5.242 -0.144 1.00 0.00 N ATOM 683 CA LYS A 45 -1.623 -5.274 -1.488 1.00 0.00 C ATOM 684 C LYS A 45 -2.103 -4.007 -2.141 1.00 0.00 C ATOM 685 O LYS A 45 -3.295 -3.673 -2.062 1.00 0.00 O ATOM 686 CB LYS A 45 -2.195 -6.504 -2.196 1.00 0.00 C ATOM 687 CG LYS A 45 -1.749 -6.689 -3.637 1.00 0.00 C ATOM 688 CD LYS A 45 -2.422 -7.899 -4.263 1.00 0.00 C ATOM 689 CE LYS A 45 -2.039 -8.057 -5.724 1.00 0.00 C ATOM 690 NZ LYS A 45 -0.605 -8.369 -5.909 1.00 0.00 N ATOM 0 H LYS A 45 -3.060 -5.458 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.536 -5.340 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.915 -7.392 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.283 -6.442 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.989 -5.796 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.666 -6.811 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.141 -8.797 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.504 -7.799 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.639 -8.851 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.278 -7.138 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.362 -8.299 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.030 -7.693 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.414 -9.334 -5.573 1.00 0.00 H new ATOM 704 N GLY A 46 -1.218 -3.321 -2.775 1.00 0.00 N ATOM 705 CA GLY A 46 -1.553 -2.082 -3.377 1.00 0.00 C ATOM 706 C GLY A 46 -0.797 -1.872 -4.642 1.00 0.00 C ATOM 707 O GLY A 46 0.142 -2.622 -4.940 1.00 0.00 O ATOM 0 H GLY A 46 -0.245 -3.603 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.623 -2.053 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.338 -1.269 -2.684 1.00 0.00 H new ATOM 711 N GLU A 47 -1.210 -0.888 -5.376 1.00 0.00 N ATOM 712 CA GLU A 47 -0.609 -0.513 -6.612 1.00 0.00 C ATOM 713 C GLU A 47 -0.201 0.937 -6.510 1.00 0.00 C ATOM 714 O GLU A 47 -0.987 1.795 -6.084 1.00 0.00 O ATOM 715 CB GLU A 47 -1.598 -0.787 -7.771 1.00 0.00 C ATOM 716 CG GLU A 47 -1.126 -0.443 -9.192 1.00 0.00 C ATOM 717 CD GLU A 47 -1.250 1.026 -9.536 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.397 1.507 -9.713 1.00 0.00 O ATOM 719 OE2 GLU A 47 -0.228 1.712 -9.666 1.00 0.00 O ATOM 0 H GLU A 47 -2.005 -0.303 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 47 0.284 -1.101 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.860 -1.845 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.513 -0.228 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.085 -0.746 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.706 -1.025 -9.909 1.00 0.00 H new ATOM 726 N LEU A 48 1.014 1.193 -6.840 1.00 0.00 N ATOM 727 CA LEU A 48 1.557 2.505 -6.782 1.00 0.00 C ATOM 728 C LEU A 48 2.418 2.756 -7.996 1.00 0.00 C ATOM 729 O LEU A 48 3.408 2.046 -8.224 1.00 0.00 O ATOM 730 CB LEU A 48 2.393 2.677 -5.514 1.00 0.00 C ATOM 731 CG LEU A 48 3.109 4.020 -5.351 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.120 5.156 -5.229 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.037 3.989 -4.163 1.00 0.00 C ATOM 0 H LEU A 48 1.672 0.484 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 48 0.737 3.223 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.742 2.530 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.141 1.885 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 48 3.705 4.192 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.659 6.097 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.502 5.199 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.485 4.993 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.536 4.953 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.464 3.784 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.783 3.207 -4.305 1.00 0.00 H new ATOM 745 N ASN A 49 1.988 3.710 -8.812 1.00 0.00 N ATOM 746 CA ASN A 49 2.751 4.206 -9.971 1.00 0.00 C ATOM 747 C ASN A 49 2.972 3.116 -11.005 1.00 0.00 C ATOM 748 O ASN A 49 3.923 3.188 -11.809 1.00 0.00 O ATOM 749 CB ASN A 49 4.113 4.786 -9.531 1.00 0.00 C ATOM 750 CG ASN A 49 4.004 5.948 -8.561 1.00 0.00 C ATOM 751 OD1 ASN A 49 3.051 6.725 -8.591 1.00 0.00 O ATOM 752 ND2 ASN A 49 4.968 6.065 -7.683 1.00 0.00 N ATOM 0 H ASN A 49 1.087 4.174 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 49 2.156 4.998 -10.427 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.701 3.994 -9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.659 5.114 -10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.943 6.818 -6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.744 5.403 -7.686 1.00 0.00 H new ATOM 759 N GLY A 50 2.114 2.124 -11.000 1.00 0.00 N ATOM 760 CA GLY A 50 2.208 1.061 -11.953 1.00 0.00 C ATOM 761 C GLY A 50 2.699 -0.227 -11.347 1.00 0.00 C ATOM 762 O GLY A 50 2.573 -1.289 -11.956 1.00 0.00 O ATOM 0 H GLY A 50 1.341 2.037 -10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.229 0.895 -12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.882 1.359 -12.757 1.00 0.00 H new ATOM 766 N LYS A 51 3.241 -0.163 -10.155 1.00 0.00 N ATOM 767 CA LYS A 51 3.783 -1.350 -9.518 1.00 0.00 C ATOM 768 C LYS A 51 2.831 -1.826 -8.479 1.00 0.00 C ATOM 769 O LYS A 51 2.304 -1.030 -7.713 1.00 0.00 O ATOM 770 CB LYS A 51 5.150 -1.108 -8.846 1.00 0.00 C ATOM 771 CG LYS A 51 6.263 -0.594 -9.746 1.00 0.00 C ATOM 772 CD LYS A 51 6.064 0.875 -10.091 1.00 0.00 C ATOM 773 CE LYS A 51 7.145 1.415 -10.989 1.00 0.00 C ATOM 774 NZ LYS A 51 6.860 2.805 -11.364 1.00 0.00 N ATOM 0 H LYS A 51 3.321 0.692 -9.604 1.00 0.00 H new ATOM 0 HA LYS A 51 3.927 -2.090 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.010 -0.395 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.480 -2.044 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.224 -0.726 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.294 -1.184 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.097 1.001 -10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.037 1.459 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.108 1.360 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.222 0.799 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.371 3.040 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.838 2.920 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.169 3.441 -10.601 1.00 0.00 H new ATOM 788 N GLU A 52 2.617 -3.094 -8.435 1.00 0.00 N ATOM 789 CA GLU A 52 1.743 -3.656 -7.448 1.00 0.00 C ATOM 790 C GLU A 52 2.497 -4.656 -6.609 1.00 0.00 C ATOM 791 O GLU A 52 3.456 -5.283 -7.082 1.00 0.00 O ATOM 792 CB GLU A 52 0.410 -4.206 -8.057 1.00 0.00 C ATOM 793 CG GLU A 52 0.539 -5.238 -9.177 1.00 0.00 C ATOM 794 CD GLU A 52 0.682 -6.648 -8.664 1.00 0.00 C ATOM 795 OE1 GLU A 52 -0.343 -7.242 -8.269 1.00 0.00 O ATOM 796 OE2 GLU A 52 1.785 -7.177 -8.636 1.00 0.00 O ATOM 0 H GLU A 52 3.035 -3.772 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 52 1.412 -2.860 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.174 -4.650 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.164 -3.361 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.338 -5.179 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.404 -4.992 -9.793 1.00 0.00 H new ATOM 803 N GLY A 53 2.137 -4.740 -5.369 1.00 0.00 N ATOM 804 CA GLY A 53 2.782 -5.638 -4.475 1.00 0.00 C ATOM 805 C GLY A 53 2.172 -5.540 -3.122 1.00 0.00 C ATOM 806 O GLY A 53 1.062 -5.012 -2.986 1.00 0.00 O ATOM 0 H GLY A 53 1.388 -4.188 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.696 -6.659 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.846 -5.407 -4.420 1.00 0.00 H new ATOM 810 N VAL A 54 2.872 -5.995 -2.126 1.00 0.00 N ATOM 811 CA VAL A 54 2.375 -5.950 -0.776 1.00 0.00 C ATOM 812 C VAL A 54 3.227 -5.037 0.058 1.00 0.00 C ATOM 813 O VAL A 54 4.410 -4.814 -0.250 1.00 0.00 O ATOM 814 CB VAL A 54 2.289 -7.356 -0.098 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.284 -8.244 -0.809 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.660 -8.033 -0.036 1.00 0.00 C ATOM 0 H VAL A 54 3.800 -6.407 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 54 1.356 -5.567 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 54 1.946 -7.204 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.245 -9.216 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.299 -7.779 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.586 -8.376 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.563 -9.008 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.049 -8.161 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.346 -7.413 0.541 1.00 0.00 H new ATOM 826 N PHE A 55 2.620 -4.478 1.061 1.00 0.00 N ATOM 827 CA PHE A 55 3.271 -3.594 1.970 1.00 0.00 C ATOM 828 C PHE A 55 2.600 -3.725 3.330 1.00 0.00 C ATOM 829 O PHE A 55 1.434 -4.111 3.398 1.00 0.00 O ATOM 830 CB PHE A 55 3.187 -2.142 1.454 1.00 0.00 C ATOM 831 CG PHE A 55 1.794 -1.536 1.378 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.015 -1.690 0.241 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.279 -0.800 2.439 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.246 -1.133 0.169 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.020 -0.241 2.368 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.744 -0.406 1.231 1.00 0.00 C ATOM 0 H PHE A 55 1.634 -4.630 1.272 1.00 0.00 H new ATOM 0 HA PHE A 55 4.326 -3.854 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.800 -1.513 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.631 -2.106 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.399 -2.252 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.873 -0.664 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.844 -1.266 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.367 0.325 3.202 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.729 0.033 1.172 1.00 0.00 H new ATOM 846 N PRO A 56 3.309 -3.476 4.427 1.00 0.00 N ATOM 847 CA PRO A 56 2.712 -3.528 5.748 1.00 0.00 C ATOM 848 C PRO A 56 1.849 -2.286 6.029 1.00 0.00 C ATOM 849 O PRO A 56 2.297 -1.136 5.851 1.00 0.00 O ATOM 850 CB PRO A 56 3.923 -3.589 6.702 1.00 0.00 C ATOM 851 CG PRO A 56 5.118 -3.756 5.816 1.00 0.00 C ATOM 852 CD PRO A 56 4.735 -3.159 4.500 1.00 0.00 C ATOM 0 HA PRO A 56 2.040 -4.378 5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.000 -2.680 7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.832 -4.421 7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.989 -3.253 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.380 -4.808 5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.916 -2.085 4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.294 -3.599 3.674 1.00 0.00 H new ATOM 860 N ASP A 57 0.625 -2.539 6.469 1.00 0.00 N ATOM 861 CA ASP A 57 -0.394 -1.520 6.811 1.00 0.00 C ATOM 862 C ASP A 57 0.129 -0.421 7.747 1.00 0.00 C ATOM 863 O ASP A 57 -0.298 0.719 7.659 1.00 0.00 O ATOM 864 CB ASP A 57 -1.649 -2.223 7.414 1.00 0.00 C ATOM 865 CG ASP A 57 -2.619 -1.305 8.157 1.00 0.00 C ATOM 866 OD1 ASP A 57 -3.418 -0.608 7.516 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.624 -1.314 9.433 1.00 0.00 O ATOM 0 H ASP A 57 0.288 -3.492 6.608 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.665 -1.009 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.190 -2.719 6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.314 -3.002 8.100 1.00 0.00 H new ATOM 872 N ASN A 58 1.091 -0.747 8.593 1.00 0.00 N ATOM 873 CA ASN A 58 1.627 0.217 9.580 1.00 0.00 C ATOM 874 C ASN A 58 2.417 1.381 8.941 1.00 0.00 C ATOM 875 O ASN A 58 2.751 2.355 9.627 1.00 0.00 O ATOM 876 CB ASN A 58 2.493 -0.467 10.663 1.00 0.00 C ATOM 877 CG ASN A 58 3.832 -0.997 10.159 1.00 0.00 C ATOM 878 OD1 ASN A 58 4.824 -0.269 10.116 1.00 0.00 O ATOM 879 ND2 ASN A 58 3.889 -2.261 9.822 1.00 0.00 N ATOM 0 H ASN A 58 1.527 -1.668 8.628 1.00 0.00 H new ATOM 0 HA ASN A 58 0.742 0.642 10.054 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.678 0.246 11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.928 -1.294 11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.772 -2.667 9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.050 -2.839 9.868 1.00 0.00 H new ATOM 886 N PHE A 59 2.716 1.291 7.653 1.00 0.00 N ATOM 887 CA PHE A 59 3.467 2.350 6.976 1.00 0.00 C ATOM 888 C PHE A 59 2.565 3.340 6.248 1.00 0.00 C ATOM 889 O PHE A 59 3.029 4.396 5.793 1.00 0.00 O ATOM 890 CB PHE A 59 4.502 1.775 5.994 1.00 0.00 C ATOM 891 CG PHE A 59 5.666 1.094 6.647 1.00 0.00 C ATOM 892 CD1 PHE A 59 6.796 1.813 6.982 1.00 0.00 C ATOM 893 CD2 PHE A 59 5.632 -0.255 6.930 1.00 0.00 C ATOM 894 CE1 PHE A 59 7.870 1.202 7.587 1.00 0.00 C ATOM 895 CE2 PHE A 59 6.707 -0.876 7.538 1.00 0.00 C ATOM 896 CZ PHE A 59 7.825 -0.145 7.867 1.00 0.00 C ATOM 0 H PHE A 59 2.455 0.506 7.057 1.00 0.00 H new ATOM 0 HA PHE A 59 3.989 2.891 7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.003 1.064 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.876 2.583 5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.837 2.870 6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.756 -0.833 6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.747 1.778 7.842 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.669 -1.933 7.754 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.666 -0.627 8.344 1.00 0.00 H new ATOM 906 N ALA A 60 1.292 3.037 6.145 1.00 0.00 N ATOM 907 CA ALA A 60 0.393 3.881 5.389 1.00 0.00 C ATOM 908 C ALA A 60 -0.927 4.040 6.103 1.00 0.00 C ATOM 909 O ALA A 60 -1.256 3.256 6.981 1.00 0.00 O ATOM 910 CB ALA A 60 0.174 3.300 3.996 1.00 0.00 C ATOM 0 H ALA A 60 0.857 2.219 6.571 1.00 0.00 H new ATOM 0 HA ALA A 60 0.848 4.867 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.504 3.944 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.129 3.237 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.259 2.303 4.081 1.00 0.00 H new ATOM 916 N VAL A 61 -1.665 5.053 5.745 1.00 0.00 N ATOM 917 CA VAL A 61 -2.976 5.271 6.300 1.00 0.00 C ATOM 918 C VAL A 61 -3.972 5.456 5.166 1.00 0.00 C ATOM 919 O VAL A 61 -3.693 6.169 4.181 1.00 0.00 O ATOM 920 CB VAL A 61 -3.019 6.489 7.286 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.696 7.805 6.589 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.361 6.573 8.010 1.00 0.00 C ATOM 0 H VAL A 61 -1.377 5.752 5.060 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.243 4.394 6.889 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.242 6.317 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.738 8.620 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.696 7.753 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.423 7.985 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.357 7.428 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.162 6.691 7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.524 5.660 8.582 1.00 0.00 H new ATOM 932 N GLN A 62 -5.085 4.789 5.257 1.00 0.00 N ATOM 933 CA GLN A 62 -6.103 4.920 4.272 1.00 0.00 C ATOM 934 C GLN A 62 -6.807 6.253 4.428 1.00 0.00 C ATOM 935 O GLN A 62 -7.426 6.538 5.464 1.00 0.00 O ATOM 936 CB GLN A 62 -7.074 3.747 4.307 1.00 0.00 C ATOM 937 CG GLN A 62 -8.263 3.942 3.402 1.00 0.00 C ATOM 938 CD GLN A 62 -9.096 2.712 3.225 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.153 1.833 4.087 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.796 2.670 2.146 1.00 0.00 N ATOM 0 H GLN A 62 -5.306 4.143 6.015 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.638 4.899 3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.548 2.838 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.422 3.601 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.889 4.738 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.913 4.276 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.718 3.419 1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.429 1.888 1.979 1.00 0.00 H new ATOM 949 N ILE A 63 -6.688 7.067 3.414 1.00 0.00 N ATOM 950 CA ILE A 63 -7.257 8.391 3.427 1.00 0.00 C ATOM 951 C ILE A 63 -8.657 8.374 2.851 1.00 0.00 C ATOM 952 O ILE A 63 -9.473 9.241 3.145 1.00 0.00 O ATOM 953 CB ILE A 63 -6.376 9.412 2.655 1.00 0.00 C ATOM 954 CG1 ILE A 63 -6.137 8.951 1.200 1.00 0.00 C ATOM 955 CG2 ILE A 63 -5.052 9.628 3.385 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.338 9.923 0.358 1.00 0.00 C ATOM 0 H ILE A 63 -6.193 6.832 2.553 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.301 8.711 4.468 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.907 10.363 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.619 7.992 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.102 8.783 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.445 10.346 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.247 10.012 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.518 8.681 3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.218 9.520 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.863 10.877 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.357 10.073 0.808 1.00 0.00 H new ATOM 968 N SER A 64 -8.925 7.392 2.042 1.00 0.00 N ATOM 969 CA SER A 64 -10.195 7.251 1.424 1.00 0.00 C ATOM 970 C SER A 64 -10.437 5.768 1.218 1.00 0.00 C ATOM 971 O SER A 64 -11.352 5.209 1.846 1.00 0.00 O ATOM 972 CB SER A 64 -10.228 8.029 0.094 1.00 0.00 C ATOM 973 OG SER A 64 -11.545 8.114 -0.439 1.00 0.00 O ATOM 974 OXT SER A 64 -9.652 5.128 0.502 1.00 0.00 O ATOM 0 H SER A 64 -8.256 6.663 1.795 1.00 0.00 H new ATOM 0 HA SER A 64 -10.986 7.665 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.835 9.033 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.575 7.540 -0.629 1.00 0.00 H new ATOM 0 HG SER A 64 -11.526 8.615 -1.281 1.00 0.00 H new