USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0528) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.0927 USER MOD Single : A 25 ASN : amide:sc= -6.25! C(o=-6.2!,f=-16!) USER MOD Single : A 27 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.712 K(o=-0.71,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -164:sc= -0.018 (180deg=-0.0975) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.51 F(o=-2.5!,f=-1.5) USER MOD Single : A 58 GLN : amide:sc=-0.00966 K(o=-0.0097,f=-0.6) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.788 -12.872 -7.131 1.00 0.00 N ATOM 2 CA GLY A 1 23.288 -11.510 -7.133 1.00 0.00 C ATOM 3 C GLY A 1 24.135 -10.579 -6.289 1.00 0.00 C ATOM 4 O GLY A 1 23.776 -10.256 -5.156 1.00 0.00 O ATOM 0 H1 GLY A 1 23.174 -13.468 -7.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.756 -12.887 -7.512 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.793 -13.239 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.257 -11.139 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.264 -11.502 -6.760 1.00 0.00 H new ATOM 8 N SER A 2 25.267 -10.148 -6.839 1.00 0.00 N ATOM 9 CA SER A 2 26.171 -9.254 -6.126 1.00 0.00 C ATOM 10 C SER A 2 25.432 -8.015 -5.633 1.00 0.00 C ATOM 11 O SER A 2 25.595 -7.595 -4.487 1.00 0.00 O ATOM 12 CB SER A 2 27.333 -8.843 -7.032 1.00 0.00 C ATOM 13 OG SER A 2 28.170 -7.896 -6.389 1.00 0.00 O ATOM 0 H SER A 2 25.579 -10.404 -7.776 1.00 0.00 H new ATOM 0 HA SER A 2 26.565 -9.788 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.916 -9.723 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.944 -8.420 -7.958 1.00 0.00 H new ATOM 0 HG SER A 2 28.906 -7.650 -6.988 1.00 0.00 H new ATOM 19 N SER A 3 24.620 -7.430 -6.509 1.00 0.00 N ATOM 20 CA SER A 3 23.858 -6.235 -6.166 1.00 0.00 C ATOM 21 C SER A 3 22.421 -6.344 -6.667 1.00 0.00 C ATOM 22 O SER A 3 22.093 -7.227 -7.457 1.00 0.00 O ATOM 23 CB SER A 3 24.524 -4.991 -6.758 1.00 0.00 C ATOM 24 OG SER A 3 24.763 -5.153 -8.145 1.00 0.00 O ATOM 0 H SER A 3 24.473 -7.765 -7.461 1.00 0.00 H new ATOM 0 HA SER A 3 23.840 -6.146 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.888 -4.121 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.465 -4.799 -6.243 1.00 0.00 H new ATOM 0 HG SER A 3 25.187 -4.344 -8.500 1.00 0.00 H new ATOM 30 N GLY A 4 21.568 -5.437 -6.201 1.00 0.00 N ATOM 31 CA GLY A 4 20.176 -5.447 -6.610 1.00 0.00 C ATOM 32 C GLY A 4 19.390 -4.293 -6.024 1.00 0.00 C ATOM 33 O GLY A 4 19.442 -3.174 -6.535 1.00 0.00 O ATOM 0 H GLY A 4 21.817 -4.695 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.120 -5.405 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.718 -6.387 -6.303 1.00 0.00 H new ATOM 37 N SER A 5 18.657 -4.563 -4.948 1.00 0.00 N ATOM 38 CA SER A 5 17.851 -3.539 -4.294 1.00 0.00 C ATOM 39 C SER A 5 18.102 -3.530 -2.789 1.00 0.00 C ATOM 40 O SER A 5 17.423 -4.222 -2.031 1.00 0.00 O ATOM 41 CB SER A 5 16.366 -3.773 -4.573 1.00 0.00 C ATOM 42 OG SER A 5 15.572 -2.750 -4.001 1.00 0.00 O ATOM 0 H SER A 5 18.605 -5.483 -4.511 1.00 0.00 H new ATOM 0 HA SER A 5 18.141 -2.570 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.197 -3.810 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.065 -4.740 -4.169 1.00 0.00 H new ATOM 0 HG SER A 5 14.627 -2.922 -4.195 1.00 0.00 H new ATOM 48 N SER A 6 19.082 -2.740 -2.364 1.00 0.00 N ATOM 49 CA SER A 6 19.427 -2.641 -0.950 1.00 0.00 C ATOM 50 C SER A 6 18.671 -1.495 -0.285 1.00 0.00 C ATOM 51 O SER A 6 19.005 -0.326 -0.471 1.00 0.00 O ATOM 52 CB SER A 6 20.934 -2.439 -0.784 1.00 0.00 C ATOM 53 OG SER A 6 21.368 -2.871 0.494 1.00 0.00 O ATOM 0 H SER A 6 19.652 -2.159 -2.979 1.00 0.00 H new ATOM 0 HA SER A 6 19.138 -3.573 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.466 -2.992 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.180 -1.386 -0.918 1.00 0.00 H new ATOM 0 HG SER A 6 22.335 -2.733 0.575 1.00 0.00 H new ATOM 59 N GLY A 7 17.649 -1.840 0.491 1.00 0.00 N ATOM 60 CA GLY A 7 16.860 -0.831 1.174 1.00 0.00 C ATOM 61 C GLY A 7 15.825 -0.194 0.267 1.00 0.00 C ATOM 62 O GLY A 7 14.626 -0.275 0.532 1.00 0.00 O ATOM 0 H GLY A 7 17.353 -2.801 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.360 -1.283 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.522 -0.058 1.564 1.00 0.00 H new ATOM 66 N GLN A 8 16.290 0.443 -0.804 1.00 0.00 N ATOM 67 CA GLN A 8 15.395 1.098 -1.750 1.00 0.00 C ATOM 68 C GLN A 8 14.091 0.318 -1.896 1.00 0.00 C ATOM 69 O GLN A 8 14.067 -0.911 -1.846 1.00 0.00 O ATOM 70 CB GLN A 8 16.074 1.237 -3.113 1.00 0.00 C ATOM 71 CG GLN A 8 17.393 1.994 -3.062 1.00 0.00 C ATOM 72 CD GLN A 8 17.971 2.253 -4.440 1.00 0.00 C ATOM 73 OE1 GLN A 8 17.456 3.077 -5.196 1.00 0.00 O ATOM 74 NE2 GLN A 8 19.045 1.548 -4.771 1.00 0.00 N ATOM 0 H GLN A 8 17.280 0.519 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 8 15.162 2.090 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.251 0.243 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.397 1.749 -3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.242 2.945 -2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.111 1.425 -2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.437 0.876 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.479 1.678 -5.685 1.00 0.00 H new ATOM 83 N PRO A 9 12.982 1.050 -2.080 1.00 0.00 N ATOM 84 CA PRO A 9 11.654 0.447 -2.235 1.00 0.00 C ATOM 85 C PRO A 9 11.506 -0.291 -3.562 1.00 0.00 C ATOM 86 O PRO A 9 12.103 0.075 -4.576 1.00 0.00 O ATOM 87 CB PRO A 9 10.711 1.651 -2.185 1.00 0.00 C ATOM 88 CG PRO A 9 11.543 2.804 -2.633 1.00 0.00 C ATOM 89 CD PRO A 9 12.938 2.519 -2.149 1.00 0.00 C ATOM 0 HA PRO A 9 11.453 -0.301 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.850 1.507 -2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.324 1.809 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.519 2.905 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.169 3.740 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.689 2.912 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.126 2.973 -1.176 1.00 0.00 H new ATOM 97 N PRO A 10 10.692 -1.357 -3.559 1.00 0.00 N ATOM 98 CA PRO A 10 10.445 -2.168 -4.755 1.00 0.00 C ATOM 99 C PRO A 10 9.625 -1.423 -5.803 1.00 0.00 C ATOM 100 O PRO A 10 9.279 -0.256 -5.618 1.00 0.00 O ATOM 101 CB PRO A 10 9.659 -3.366 -4.214 1.00 0.00 C ATOM 102 CG PRO A 10 9.002 -2.861 -2.977 1.00 0.00 C ATOM 103 CD PRO A 10 9.949 -1.851 -2.388 1.00 0.00 C ATOM 0 HA PRO A 10 11.371 -2.440 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.923 -3.716 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.318 -4.207 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.038 -2.406 -3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.813 -3.674 -2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.415 -1.047 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.613 -2.304 -1.652 1.00 0.00 H new ATOM 111 N LEU A 11 9.319 -2.103 -6.901 1.00 0.00 N ATOM 112 CA LEU A 11 8.538 -1.505 -7.979 1.00 0.00 C ATOM 113 C LEU A 11 7.122 -1.185 -7.513 1.00 0.00 C ATOM 114 O LEU A 11 6.559 -1.889 -6.675 1.00 0.00 O ATOM 115 CB LEU A 11 8.492 -2.446 -9.184 1.00 0.00 C ATOM 116 CG LEU A 11 7.944 -1.850 -10.481 1.00 0.00 C ATOM 117 CD1 LEU A 11 8.904 -0.810 -11.038 1.00 0.00 C ATOM 118 CD2 LEU A 11 7.687 -2.945 -11.505 1.00 0.00 C ATOM 0 H LEU A 11 9.599 -3.069 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 11 9.022 -0.573 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.502 -2.811 -9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.885 -3.312 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 11 6.997 -1.358 -10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.497 -0.397 -11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.036 -0.010 -10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.867 -1.277 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.297 -2.502 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.619 -3.466 -11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.960 -3.653 -11.106 1.00 0.00 H new ATOM 130 N LYS A 12 6.549 -0.121 -8.065 1.00 0.00 N ATOM 131 CA LYS A 12 5.196 0.291 -7.709 1.00 0.00 C ATOM 132 C LYS A 12 4.196 -0.825 -7.994 1.00 0.00 C ATOM 133 O LYS A 12 3.248 -1.029 -7.236 1.00 0.00 O ATOM 134 CB LYS A 12 4.805 1.551 -8.485 1.00 0.00 C ATOM 135 CG LYS A 12 4.773 1.353 -9.990 1.00 0.00 C ATOM 136 CD LYS A 12 4.363 2.627 -10.712 1.00 0.00 C ATOM 137 CE LYS A 12 2.856 2.826 -10.676 1.00 0.00 C ATOM 138 NZ LYS A 12 2.152 1.913 -11.618 1.00 0.00 N ATOM 0 H LYS A 12 7.001 0.472 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 12 5.177 0.508 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.823 1.884 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.510 2.348 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.757 1.037 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.076 0.553 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.855 3.483 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.701 2.585 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.491 2.654 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.620 3.860 -10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.157 2.202 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.607 1.960 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.200 0.939 -11.258 1.00 0.00 H new ATOM 152 N ASN A 13 4.414 -1.545 -9.088 1.00 0.00 N ATOM 153 CA ASN A 13 3.532 -2.641 -9.471 1.00 0.00 C ATOM 154 C ASN A 13 3.244 -3.549 -8.279 1.00 0.00 C ATOM 155 O ASN A 13 2.252 -4.279 -8.266 1.00 0.00 O ATOM 156 CB ASN A 13 4.156 -3.454 -10.607 1.00 0.00 C ATOM 157 CG ASN A 13 3.976 -2.789 -11.959 1.00 0.00 C ATOM 158 OD1 ASN A 13 4.743 -1.732 -12.204 1.00 0.00 O flip ATOM 159 ND2 ASN A 13 3.160 -3.220 -12.773 1.00 0.00 N flip ATOM 0 H ASN A 13 5.195 -1.390 -9.726 1.00 0.00 H new ATOM 0 HA ASN A 13 2.591 -2.213 -9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.219 -3.591 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.706 -4.446 -10.630 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.592 -4.035 -12.543 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.052 -2.762 -13.678 1.00 0.00 H new ATOM 166 N LEU A 14 4.120 -3.501 -7.282 1.00 0.00 N ATOM 167 CA LEU A 14 3.960 -4.318 -6.083 1.00 0.00 C ATOM 168 C LEU A 14 2.810 -3.807 -5.223 1.00 0.00 C ATOM 169 O LEU A 14 1.971 -4.584 -4.763 1.00 0.00 O ATOM 170 CB LEU A 14 5.257 -4.324 -5.271 1.00 0.00 C ATOM 171 CG LEU A 14 5.415 -5.469 -4.269 1.00 0.00 C ATOM 172 CD1 LEU A 14 6.879 -5.657 -3.901 1.00 0.00 C ATOM 173 CD2 LEU A 14 4.579 -5.208 -3.024 1.00 0.00 C ATOM 0 H LEU A 14 4.948 -2.906 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 14 3.728 -5.336 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.097 -4.356 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.328 -3.381 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 14 5.058 -6.387 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.973 -6.476 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.453 -5.890 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.262 -4.740 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.704 -6.033 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.905 -4.280 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.528 -5.124 -3.302 1.00 0.00 H new ATOM 185 N LEU A 15 2.773 -2.497 -5.012 1.00 0.00 N ATOM 186 CA LEU A 15 1.722 -1.880 -4.209 1.00 0.00 C ATOM 187 C LEU A 15 0.543 -1.463 -5.082 1.00 0.00 C ATOM 188 O LEU A 15 -0.606 -1.792 -4.788 1.00 0.00 O ATOM 189 CB LEU A 15 2.272 -0.664 -3.461 1.00 0.00 C ATOM 190 CG LEU A 15 3.411 0.090 -4.149 1.00 0.00 C ATOM 191 CD1 LEU A 15 3.384 1.562 -3.769 1.00 0.00 C ATOM 192 CD2 LEU A 15 4.753 -0.532 -3.793 1.00 0.00 C ATOM 0 H LEU A 15 3.458 -1.840 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 15 1.372 -2.617 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.452 0.034 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.620 -0.992 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 15 3.273 0.013 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.202 2.082 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.434 2.000 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.496 1.661 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.552 0.017 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.900 -0.487 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.770 -1.572 -4.119 1.00 0.00 H new ATOM 204 N SER A 16 0.837 -0.740 -6.159 1.00 0.00 N ATOM 205 CA SER A 16 -0.199 -0.277 -7.075 1.00 0.00 C ATOM 206 C SER A 16 -1.213 -1.383 -7.353 1.00 0.00 C ATOM 207 O SER A 16 -2.422 -1.146 -7.365 1.00 0.00 O ATOM 208 CB SER A 16 0.425 0.200 -8.387 1.00 0.00 C ATOM 209 OG SER A 16 -0.572 0.553 -9.328 1.00 0.00 O ATOM 0 H SER A 16 1.784 -0.463 -6.418 1.00 0.00 H new ATOM 0 HA SER A 16 -0.718 0.558 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.069 1.058 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.057 -0.587 -8.800 1.00 0.00 H new ATOM 0 HG SER A 16 -0.147 0.856 -10.157 1.00 0.00 H new ATOM 215 N LEU A 17 -0.711 -2.593 -7.576 1.00 0.00 N ATOM 216 CA LEU A 17 -1.571 -3.738 -7.854 1.00 0.00 C ATOM 217 C LEU A 17 -2.589 -3.938 -6.737 1.00 0.00 C ATOM 218 O LEU A 17 -3.798 -3.945 -6.978 1.00 0.00 O ATOM 219 CB LEU A 17 -0.729 -5.004 -8.025 1.00 0.00 C ATOM 220 CG LEU A 17 -0.252 -5.307 -9.445 1.00 0.00 C ATOM 221 CD1 LEU A 17 0.947 -6.242 -9.420 1.00 0.00 C ATOM 222 CD2 LEU A 17 -1.382 -5.908 -10.270 1.00 0.00 C ATOM 0 H LEU A 17 0.286 -2.806 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.110 -3.540 -8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.145 -4.925 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.311 -5.854 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 17 0.055 -4.371 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.271 -6.445 -10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.762 -5.774 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.669 -7.177 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.025 -6.118 -11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.719 -6.834 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.212 -5.203 -10.318 1.00 0.00 H new ATOM 234 N LEU A 18 -2.096 -4.100 -5.515 1.00 0.00 N ATOM 235 CA LEU A 18 -2.964 -4.298 -4.359 1.00 0.00 C ATOM 236 C LEU A 18 -3.926 -3.125 -4.192 1.00 0.00 C ATOM 237 O LEU A 18 -5.103 -3.313 -3.887 1.00 0.00 O ATOM 238 CB LEU A 18 -2.126 -4.468 -3.092 1.00 0.00 C ATOM 239 CG LEU A 18 -1.624 -5.884 -2.803 1.00 0.00 C ATOM 240 CD1 LEU A 18 -0.466 -5.850 -1.818 1.00 0.00 C ATOM 241 CD2 LEU A 18 -2.756 -6.751 -2.269 1.00 0.00 C ATOM 0 H LEU A 18 -1.099 -4.098 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.549 -5.203 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.263 -3.805 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.719 -4.134 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.267 -6.320 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.123 -6.866 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.352 -5.264 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.796 -5.395 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.382 -7.755 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.143 -6.317 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.555 -6.802 -3.009 1.00 0.00 H new ATOM 253 N LYS A 19 -3.417 -1.916 -4.399 1.00 0.00 N ATOM 254 CA LYS A 19 -4.231 -0.712 -4.277 1.00 0.00 C ATOM 255 C LYS A 19 -5.549 -0.868 -5.028 1.00 0.00 C ATOM 256 O LYS A 19 -6.555 -0.256 -4.668 1.00 0.00 O ATOM 257 CB LYS A 19 -3.467 0.502 -4.811 1.00 0.00 C ATOM 258 CG LYS A 19 -2.596 1.181 -3.767 1.00 0.00 C ATOM 259 CD LYS A 19 -2.224 2.594 -4.184 1.00 0.00 C ATOM 260 CE LYS A 19 -3.332 3.582 -3.853 1.00 0.00 C ATOM 261 NZ LYS A 19 -2.839 4.988 -3.857 1.00 0.00 N ATOM 0 H LYS A 19 -2.444 -1.743 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.451 -0.558 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.841 0.188 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.181 1.226 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.124 1.209 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.689 0.596 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.305 2.893 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.022 2.617 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.140 3.478 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.749 3.346 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.623 5.631 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.085 5.094 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.464 5.222 -4.798 1.00 0.00 H new ATOM 275 N ALA A 20 -5.536 -1.688 -6.073 1.00 0.00 N ATOM 276 CA ALA A 20 -6.731 -1.926 -6.873 1.00 0.00 C ATOM 277 C ALA A 20 -7.896 -2.380 -5.999 1.00 0.00 C ATOM 278 O ALA A 20 -8.998 -1.839 -6.086 1.00 0.00 O ATOM 279 CB ALA A 20 -6.446 -2.958 -7.954 1.00 0.00 C ATOM 0 H ALA A 20 -4.711 -2.199 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.013 -0.986 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.347 -3.126 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.650 -2.594 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.136 -3.895 -7.490 1.00 0.00 H new ATOM 285 N TYR A 21 -7.644 -3.377 -5.159 1.00 0.00 N ATOM 286 CA TYR A 21 -8.672 -3.907 -4.271 1.00 0.00 C ATOM 287 C TYR A 21 -9.168 -2.830 -3.309 1.00 0.00 C ATOM 288 O TYR A 21 -10.368 -2.573 -3.216 1.00 0.00 O ATOM 289 CB TYR A 21 -8.130 -5.100 -3.482 1.00 0.00 C ATOM 290 CG TYR A 21 -7.875 -6.324 -4.333 1.00 0.00 C ATOM 291 CD1 TYR A 21 -6.673 -6.485 -5.011 1.00 0.00 C ATOM 292 CD2 TYR A 21 -8.837 -7.317 -4.462 1.00 0.00 C ATOM 293 CE1 TYR A 21 -6.437 -7.601 -5.790 1.00 0.00 C ATOM 294 CE2 TYR A 21 -8.609 -8.437 -5.238 1.00 0.00 C ATOM 295 CZ TYR A 21 -7.407 -8.575 -5.900 1.00 0.00 C ATOM 296 OH TYR A 21 -7.176 -9.688 -6.675 1.00 0.00 O ATOM 0 H TYR A 21 -6.736 -3.835 -5.074 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.511 -4.237 -4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.201 -4.809 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.839 -5.356 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.910 -5.725 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.780 -7.212 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.497 -7.710 -6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.368 -9.200 -5.326 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.959 -10.276 -6.644 1.00 0.00 H new ATOM 306 N TYR A 22 -8.236 -2.207 -2.599 1.00 0.00 N ATOM 307 CA TYR A 22 -8.577 -1.159 -1.643 1.00 0.00 C ATOM 308 C TYR A 22 -9.744 -0.318 -2.151 1.00 0.00 C ATOM 309 O TYR A 22 -10.638 0.049 -1.389 1.00 0.00 O ATOM 310 CB TYR A 22 -7.364 -0.265 -1.381 1.00 0.00 C ATOM 311 CG TYR A 22 -7.453 0.511 -0.086 1.00 0.00 C ATOM 312 CD1 TYR A 22 -8.105 1.736 -0.029 1.00 0.00 C ATOM 313 CD2 TYR A 22 -6.885 0.017 1.083 1.00 0.00 C ATOM 314 CE1 TYR A 22 -8.187 2.447 1.152 1.00 0.00 C ATOM 315 CE2 TYR A 22 -6.964 0.721 2.268 1.00 0.00 C ATOM 316 CZ TYR A 22 -7.616 1.935 2.298 1.00 0.00 C ATOM 317 OH TYR A 22 -7.697 2.642 3.478 1.00 0.00 O ATOM 0 H TYR A 22 -7.238 -2.408 -2.666 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.876 -1.636 -0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.465 -0.882 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.254 0.436 -2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.556 2.139 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.373 -0.934 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.696 3.399 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.517 0.323 3.167 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.521 3.173 3.485 1.00 0.00 H new ATOM 327 N ALA A 23 -9.727 -0.015 -3.445 1.00 0.00 N ATOM 328 CA ALA A 23 -10.783 0.781 -4.057 1.00 0.00 C ATOM 329 C ALA A 23 -12.162 0.285 -3.631 1.00 0.00 C ATOM 330 O ALA A 23 -12.914 1.002 -2.971 1.00 0.00 O ATOM 331 CB ALA A 23 -10.656 0.752 -5.572 1.00 0.00 C ATOM 0 H ALA A 23 -8.993 -0.309 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.673 1.810 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.452 1.351 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.689 1.161 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.737 -0.276 -5.924 1.00 0.00 H new ATOM 337 N LEU A 24 -12.486 -0.945 -4.014 1.00 0.00 N ATOM 338 CA LEU A 24 -13.774 -1.538 -3.673 1.00 0.00 C ATOM 339 C LEU A 24 -13.812 -1.953 -2.206 1.00 0.00 C ATOM 340 O LEU A 24 -14.813 -1.751 -1.518 1.00 0.00 O ATOM 341 CB LEU A 24 -14.054 -2.750 -4.564 1.00 0.00 C ATOM 342 CG LEU A 24 -13.121 -3.948 -4.379 1.00 0.00 C ATOM 343 CD1 LEU A 24 -13.609 -4.833 -3.243 1.00 0.00 C ATOM 344 CD2 LEU A 24 -13.014 -4.744 -5.670 1.00 0.00 C ATOM 0 H LEU A 24 -11.874 -1.551 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.546 -0.786 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.077 -3.080 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.001 -2.431 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.129 -3.576 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.933 -5.680 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.633 -4.257 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.611 -5.197 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.346 -5.592 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.001 -5.106 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.618 -4.105 -6.459 1.00 0.00 H new ATOM 356 N ASN A 25 -12.713 -2.531 -1.731 1.00 0.00 N ATOM 357 CA ASN A 25 -12.620 -2.972 -0.344 1.00 0.00 C ATOM 358 C ASN A 25 -11.371 -2.405 0.323 1.00 0.00 C ATOM 359 O ASN A 25 -10.304 -3.020 0.292 1.00 0.00 O ATOM 360 CB ASN A 25 -12.601 -4.500 -0.274 1.00 0.00 C ATOM 361 CG ASN A 25 -12.630 -5.013 1.153 1.00 0.00 C ATOM 362 OD1 ASN A 25 -12.010 -4.436 2.046 1.00 0.00 O ATOM 363 ND2 ASN A 25 -13.353 -6.105 1.373 1.00 0.00 N ATOM 0 H ASN A 25 -11.875 -2.705 -2.286 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.495 -2.602 0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.459 -4.897 -0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.707 -4.873 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.410 -6.498 2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.851 -6.551 0.602 1.00 0.00 H new ATOM 370 N ALA A 26 -11.510 -1.229 0.927 1.00 0.00 N ATOM 371 CA ALA A 26 -10.395 -0.581 1.605 1.00 0.00 C ATOM 372 C ALA A 26 -9.746 -1.520 2.618 1.00 0.00 C ATOM 373 O ALA A 26 -8.618 -1.972 2.424 1.00 0.00 O ATOM 374 CB ALA A 26 -10.862 0.695 2.289 1.00 0.00 C ATOM 0 H ALA A 26 -12.385 -0.706 0.960 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.646 -0.325 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.018 1.168 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.271 1.378 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.632 0.454 3.022 1.00 0.00 H new ATOM 380 N GLN A 27 -10.467 -1.806 3.697 1.00 0.00 N ATOM 381 CA GLN A 27 -9.961 -2.689 4.741 1.00 0.00 C ATOM 382 C GLN A 27 -10.673 -4.038 4.705 1.00 0.00 C ATOM 383 O GLN A 27 -11.600 -4.297 5.472 1.00 0.00 O ATOM 384 CB GLN A 27 -10.135 -2.042 6.115 1.00 0.00 C ATOM 385 CG GLN A 27 -11.545 -1.536 6.375 1.00 0.00 C ATOM 386 CD GLN A 27 -11.744 -0.104 5.916 1.00 0.00 C ATOM 387 OE1 GLN A 27 -10.860 0.740 6.077 1.00 0.00 O ATOM 388 NE2 GLN A 27 -12.908 0.178 5.343 1.00 0.00 N ATOM 0 H GLN A 27 -11.403 -1.439 3.871 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.899 -2.855 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.870 -2.767 6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.437 -1.210 6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.259 -2.181 5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.761 -1.605 7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.611 -0.552 5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.099 1.125 5.016 1.00 0.00 H new ATOM 397 N PRO A 28 -10.232 -4.917 3.794 1.00 0.00 N ATOM 398 CA PRO A 28 -10.813 -6.254 3.637 1.00 0.00 C ATOM 399 C PRO A 28 -10.495 -7.166 4.816 1.00 0.00 C ATOM 400 O PRO A 28 -9.572 -6.902 5.588 1.00 0.00 O ATOM 401 CB PRO A 28 -10.154 -6.781 2.361 1.00 0.00 C ATOM 402 CG PRO A 28 -8.866 -6.037 2.266 1.00 0.00 C ATOM 403 CD PRO A 28 -9.129 -4.676 2.847 1.00 0.00 C ATOM 0 HA PRO A 28 -11.901 -6.221 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.987 -7.857 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.781 -6.601 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.078 -6.550 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.535 -5.962 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.248 -4.276 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.410 -3.958 2.077 1.00 0.00 H new ATOM 411 N SER A 29 -11.265 -8.242 4.952 1.00 0.00 N ATOM 412 CA SER A 29 -11.067 -9.192 6.040 1.00 0.00 C ATOM 413 C SER A 29 -10.249 -10.392 5.571 1.00 0.00 C ATOM 414 O SER A 29 -10.109 -10.632 4.372 1.00 0.00 O ATOM 415 CB SER A 29 -12.416 -9.661 6.587 1.00 0.00 C ATOM 416 OG SER A 29 -13.334 -8.585 6.671 1.00 0.00 O ATOM 0 H SER A 29 -12.032 -8.477 4.322 1.00 0.00 H new ATOM 0 HA SER A 29 -10.517 -8.688 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.822 -10.440 5.942 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.278 -10.103 7.574 1.00 0.00 H new ATOM 0 HG SER A 29 -14.189 -8.911 7.022 1.00 0.00 H new ATOM 422 N ALA A 30 -9.712 -11.143 6.528 1.00 0.00 N ATOM 423 CA ALA A 30 -8.911 -12.321 6.214 1.00 0.00 C ATOM 424 C ALA A 30 -9.469 -13.057 5.002 1.00 0.00 C ATOM 425 O ALA A 30 -8.809 -13.163 3.969 1.00 0.00 O ATOM 426 CB ALA A 30 -8.847 -13.250 7.416 1.00 0.00 C ATOM 0 H ALA A 30 -9.817 -10.957 7.525 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.901 -11.990 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.246 -14.125 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.394 -12.726 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.855 -13.566 7.685 1.00 0.00 H new ATOM 432 N GLU A 31 -10.691 -13.566 5.134 1.00 0.00 N ATOM 433 CA GLU A 31 -11.336 -14.295 4.050 1.00 0.00 C ATOM 434 C GLU A 31 -10.950 -13.709 2.694 1.00 0.00 C ATOM 435 O GLU A 31 -10.715 -14.442 1.734 1.00 0.00 O ATOM 436 CB GLU A 31 -12.858 -14.263 4.216 1.00 0.00 C ATOM 437 CG GLU A 31 -13.351 -15.001 5.448 1.00 0.00 C ATOM 438 CD GLU A 31 -12.699 -16.361 5.614 1.00 0.00 C ATOM 439 OE1 GLU A 31 -13.242 -17.349 5.077 1.00 0.00 O ATOM 440 OE2 GLU A 31 -11.643 -16.435 6.278 1.00 0.00 O ATOM 0 H GLU A 31 -11.253 -13.486 5.981 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.995 -15.329 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.188 -13.225 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.321 -14.700 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.152 -14.396 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.432 -15.126 5.384 1.00 0.00 H new ATOM 447 N GLU A 32 -10.886 -12.383 2.626 1.00 0.00 N ATOM 448 CA GLU A 32 -10.528 -11.699 1.389 1.00 0.00 C ATOM 449 C GLU A 32 -9.014 -11.595 1.243 1.00 0.00 C ATOM 450 O GLU A 32 -8.444 -12.036 0.244 1.00 0.00 O ATOM 451 CB GLU A 32 -11.154 -10.302 1.355 1.00 0.00 C ATOM 452 CG GLU A 32 -12.635 -10.306 1.020 1.00 0.00 C ATOM 453 CD GLU A 32 -12.913 -10.769 -0.397 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.398 -10.133 -1.340 1.00 0.00 O ATOM 455 OE2 GLU A 32 -13.645 -11.766 -0.562 1.00 0.00 O ATOM 0 H GLU A 32 -11.077 -11.762 3.412 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.915 -12.283 0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.011 -9.826 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.626 -9.694 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.160 -10.956 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.037 -9.302 1.155 1.00 0.00 H new ATOM 462 N LEU A 33 -8.368 -11.007 2.245 1.00 0.00 N ATOM 463 CA LEU A 33 -6.918 -10.845 2.229 1.00 0.00 C ATOM 464 C LEU A 33 -6.238 -12.069 1.626 1.00 0.00 C ATOM 465 O LEU A 33 -5.594 -11.984 0.582 1.00 0.00 O ATOM 466 CB LEU A 33 -6.396 -10.602 3.646 1.00 0.00 C ATOM 467 CG LEU A 33 -6.614 -9.199 4.211 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.703 -9.242 5.728 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.498 -8.266 3.767 1.00 0.00 C ATOM 0 H LEU A 33 -8.825 -10.635 3.078 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.682 -9.981 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.872 -11.319 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.327 -10.815 3.659 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.557 -8.815 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.858 -8.234 6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.538 -9.876 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.777 -9.647 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.670 -7.271 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.541 -8.647 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.482 -8.210 2.679 1.00 0.00 H new ATOM 481 N SER A 34 -6.389 -13.211 2.292 1.00 0.00 N ATOM 482 CA SER A 34 -5.788 -14.454 1.824 1.00 0.00 C ATOM 483 C SER A 34 -5.972 -14.612 0.317 1.00 0.00 C ATOM 484 O SER A 34 -5.022 -14.906 -0.409 1.00 0.00 O ATOM 485 CB SER A 34 -6.405 -15.649 2.552 1.00 0.00 C ATOM 486 OG SER A 34 -5.950 -16.873 2.001 1.00 0.00 O ATOM 0 H SER A 34 -6.922 -13.300 3.157 1.00 0.00 H new ATOM 0 HA SER A 34 -4.720 -14.417 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.149 -15.606 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.492 -15.598 2.485 1.00 0.00 H new ATOM 0 HG SER A 34 -6.358 -17.621 2.485 1.00 0.00 H new ATOM 492 N LYS A 35 -7.202 -14.416 -0.146 1.00 0.00 N ATOM 493 CA LYS A 35 -7.514 -14.535 -1.566 1.00 0.00 C ATOM 494 C LYS A 35 -6.729 -13.513 -2.382 1.00 0.00 C ATOM 495 O LYS A 35 -5.997 -13.872 -3.305 1.00 0.00 O ATOM 496 CB LYS A 35 -9.014 -14.345 -1.798 1.00 0.00 C ATOM 497 CG LYS A 35 -9.420 -14.433 -3.259 1.00 0.00 C ATOM 498 CD LYS A 35 -10.849 -14.926 -3.412 1.00 0.00 C ATOM 499 CE LYS A 35 -11.463 -14.455 -4.721 1.00 0.00 C ATOM 500 NZ LYS A 35 -11.930 -13.043 -4.640 1.00 0.00 N ATOM 0 H LYS A 35 -8.000 -14.174 0.442 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.226 -15.534 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.559 -15.100 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.314 -13.374 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.321 -13.453 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.744 -15.106 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.866 -16.015 -3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.450 -14.567 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.729 -14.549 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.302 -15.100 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.342 -12.761 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.650 -12.958 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.125 -12.423 -4.417 1.00 0.00 H new ATOM 514 N ILE A 36 -6.887 -12.240 -2.035 1.00 0.00 N ATOM 515 CA ILE A 36 -6.190 -11.167 -2.735 1.00 0.00 C ATOM 516 C ILE A 36 -4.704 -11.476 -2.877 1.00 0.00 C ATOM 517 O ILE A 36 -4.063 -11.063 -3.842 1.00 0.00 O ATOM 518 CB ILE A 36 -6.357 -9.820 -2.008 1.00 0.00 C ATOM 519 CG1 ILE A 36 -7.839 -9.461 -1.885 1.00 0.00 C ATOM 520 CG2 ILE A 36 -5.601 -8.723 -2.743 1.00 0.00 C ATOM 521 CD1 ILE A 36 -8.119 -8.389 -0.856 1.00 0.00 C ATOM 0 H ILE A 36 -7.490 -11.926 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.638 -11.094 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.940 -9.913 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.205 -9.126 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.401 -10.358 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.729 -7.777 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.541 -8.975 -2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.990 -8.629 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.189 -8.186 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.784 -8.729 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.585 -7.478 -1.125 1.00 0.00 H new ATOM 533 N ALA A 37 -4.163 -12.205 -1.907 1.00 0.00 N ATOM 534 CA ALA A 37 -2.752 -12.574 -1.925 1.00 0.00 C ATOM 535 C ALA A 37 -2.458 -13.565 -3.046 1.00 0.00 C ATOM 536 O ALA A 37 -1.566 -13.342 -3.865 1.00 0.00 O ATOM 537 CB ALA A 37 -2.342 -13.157 -0.581 1.00 0.00 C ATOM 0 H ALA A 37 -4.680 -12.552 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.168 -11.672 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.287 -13.428 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.506 -12.417 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.939 -14.045 -0.372 1.00 0.00 H new ATOM 543 N ASP A 38 -3.211 -14.658 -3.075 1.00 0.00 N ATOM 544 CA ASP A 38 -3.030 -15.684 -4.097 1.00 0.00 C ATOM 545 C ASP A 38 -3.085 -15.075 -5.494 1.00 0.00 C ATOM 546 O ASP A 38 -2.631 -15.680 -6.465 1.00 0.00 O ATOM 547 CB ASP A 38 -4.099 -16.768 -3.956 1.00 0.00 C ATOM 548 CG ASP A 38 -3.825 -17.971 -4.838 1.00 0.00 C ATOM 549 OD1 ASP A 38 -2.736 -18.566 -4.705 1.00 0.00 O ATOM 550 OD2 ASP A 38 -4.697 -18.314 -5.661 1.00 0.00 O ATOM 0 H ASP A 38 -3.952 -14.857 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.047 -16.134 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.152 -17.089 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.073 -16.349 -4.210 1.00 0.00 H new ATOM 555 N SER A 39 -3.648 -13.874 -5.589 1.00 0.00 N ATOM 556 CA SER A 39 -3.767 -13.184 -6.867 1.00 0.00 C ATOM 557 C SER A 39 -2.490 -12.418 -7.195 1.00 0.00 C ATOM 558 O SER A 39 -2.021 -12.427 -8.334 1.00 0.00 O ATOM 559 CB SER A 39 -4.960 -12.224 -6.844 1.00 0.00 C ATOM 560 OG SER A 39 -6.178 -12.920 -7.041 1.00 0.00 O ATOM 0 H SER A 39 -4.029 -13.359 -4.795 1.00 0.00 H new ATOM 0 HA SER A 39 -3.927 -13.934 -7.641 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.989 -11.697 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.839 -11.470 -7.621 1.00 0.00 H new ATOM 0 HG SER A 39 -6.924 -12.285 -7.020 1.00 0.00 H new ATOM 566 N VAL A 40 -1.930 -11.757 -6.187 1.00 0.00 N ATOM 567 CA VAL A 40 -0.705 -10.986 -6.365 1.00 0.00 C ATOM 568 C VAL A 40 0.527 -11.840 -6.085 1.00 0.00 C ATOM 569 O VAL A 40 1.640 -11.326 -5.980 1.00 0.00 O ATOM 570 CB VAL A 40 -0.679 -9.752 -5.445 1.00 0.00 C ATOM 571 CG1 VAL A 40 -1.727 -8.739 -5.883 1.00 0.00 C ATOM 572 CG2 VAL A 40 -0.893 -10.163 -3.997 1.00 0.00 C ATOM 0 H VAL A 40 -2.305 -11.740 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.687 -10.656 -7.404 1.00 0.00 H new ATOM 0 HB VAL A 40 0.301 -9.281 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.695 -7.873 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.522 -8.422 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.716 -9.195 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.872 -9.278 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.859 -10.658 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.102 -10.848 -3.693 1.00 0.00 H new ATOM 582 N ASN A 41 0.320 -13.148 -5.966 1.00 0.00 N ATOM 583 CA ASN A 41 1.413 -14.074 -5.698 1.00 0.00 C ATOM 584 C ASN A 41 2.150 -13.692 -4.417 1.00 0.00 C ATOM 585 O ASN A 41 3.371 -13.822 -4.327 1.00 0.00 O ATOM 586 CB ASN A 41 2.392 -14.094 -6.874 1.00 0.00 C ATOM 587 CG ASN A 41 3.383 -15.239 -6.783 1.00 0.00 C ATOM 588 OD1 ASN A 41 3.409 -15.974 -5.796 1.00 0.00 O ATOM 589 ND2 ASN A 41 4.204 -15.393 -7.814 1.00 0.00 N ATOM 0 H ASN A 41 -0.595 -13.590 -6.051 1.00 0.00 H new ATOM 0 HA ASN A 41 0.988 -15.069 -5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.834 -14.174 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.935 -13.149 -6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.893 -16.145 -7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.146 -14.759 -8.611 1.00 0.00 H new ATOM 596 N LEU A 42 1.398 -13.219 -3.429 1.00 0.00 N ATOM 597 CA LEU A 42 1.977 -12.818 -2.152 1.00 0.00 C ATOM 598 C LEU A 42 1.261 -13.499 -0.990 1.00 0.00 C ATOM 599 O LEU A 42 0.112 -13.928 -1.104 1.00 0.00 O ATOM 600 CB LEU A 42 1.904 -11.298 -1.991 1.00 0.00 C ATOM 601 CG LEU A 42 2.981 -10.493 -2.718 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.614 -9.017 -2.753 1.00 0.00 C ATOM 603 CD2 LEU A 42 4.335 -10.691 -2.053 1.00 0.00 C ATOM 0 H LEU A 42 0.386 -13.104 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 42 3.022 -13.129 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.928 -10.962 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.958 -11.062 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 42 3.045 -10.855 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.393 -8.461 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.666 -8.890 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.520 -8.641 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.089 -10.111 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.284 -10.358 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.603 -11.747 -2.081 1.00 0.00 H new ATOM 615 N PRO A 43 1.951 -13.598 0.154 1.00 0.00 N ATOM 616 CA PRO A 43 1.398 -14.223 1.361 1.00 0.00 C ATOM 617 C PRO A 43 0.288 -13.389 1.989 1.00 0.00 C ATOM 618 O PRO A 43 0.003 -12.278 1.541 1.00 0.00 O ATOM 619 CB PRO A 43 2.604 -14.304 2.301 1.00 0.00 C ATOM 620 CG PRO A 43 3.511 -13.212 1.850 1.00 0.00 C ATOM 621 CD PRO A 43 3.323 -13.107 0.362 1.00 0.00 C ATOM 0 HA PRO A 43 0.940 -15.189 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.306 -14.167 3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.092 -15.276 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.264 -12.271 2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.548 -13.439 2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.439 -12.081 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.052 -13.711 -0.178 1.00 0.00 H new ATOM 629 N LEU A 44 -0.338 -13.931 3.029 1.00 0.00 N ATOM 630 CA LEU A 44 -1.418 -13.237 3.720 1.00 0.00 C ATOM 631 C LEU A 44 -0.864 -12.198 4.689 1.00 0.00 C ATOM 632 O LEU A 44 -1.539 -11.222 5.021 1.00 0.00 O ATOM 633 CB LEU A 44 -2.295 -14.238 4.473 1.00 0.00 C ATOM 634 CG LEU A 44 -3.119 -13.671 5.630 1.00 0.00 C ATOM 635 CD1 LEU A 44 -4.169 -12.700 5.110 1.00 0.00 C ATOM 636 CD2 LEU A 44 -3.775 -14.795 6.419 1.00 0.00 C ATOM 0 H LEU A 44 -0.115 -14.850 3.412 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.024 -12.724 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.977 -14.701 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.655 -15.030 4.863 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.449 -13.129 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.746 -12.306 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.678 -11.878 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.836 -13.219 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.357 -14.373 7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.433 -15.365 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.006 -15.454 6.822 1.00 0.00 H new ATOM 648 N ASP A 45 0.366 -12.410 5.139 1.00 0.00 N ATOM 649 CA ASP A 45 1.013 -11.492 6.068 1.00 0.00 C ATOM 650 C ASP A 45 1.453 -10.218 5.353 1.00 0.00 C ATOM 651 O ASP A 45 1.269 -9.112 5.861 1.00 0.00 O ATOM 652 CB ASP A 45 2.218 -12.162 6.729 1.00 0.00 C ATOM 653 CG ASP A 45 2.991 -13.041 5.767 1.00 0.00 C ATOM 654 OD1 ASP A 45 3.879 -12.514 5.065 1.00 0.00 O ATOM 655 OD2 ASP A 45 2.706 -14.258 5.714 1.00 0.00 O ATOM 0 H ASP A 45 0.937 -13.212 4.875 1.00 0.00 H new ATOM 0 HA ASP A 45 0.290 -11.225 6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.882 -11.396 7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.879 -12.763 7.573 1.00 0.00 H new ATOM 660 N VAL A 46 2.039 -10.380 4.170 1.00 0.00 N ATOM 661 CA VAL A 46 2.505 -9.245 3.385 1.00 0.00 C ATOM 662 C VAL A 46 1.351 -8.319 3.017 1.00 0.00 C ATOM 663 O VAL A 46 1.474 -7.096 3.091 1.00 0.00 O ATOM 664 CB VAL A 46 3.211 -9.705 2.096 1.00 0.00 C ATOM 665 CG1 VAL A 46 3.329 -8.552 1.110 1.00 0.00 C ATOM 666 CG2 VAL A 46 4.580 -10.286 2.416 1.00 0.00 C ATOM 0 H VAL A 46 2.202 -11.288 3.735 1.00 0.00 H new ATOM 0 HA VAL A 46 3.218 -8.703 4.007 1.00 0.00 H new ATOM 0 HB VAL A 46 2.609 -10.487 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.830 -8.897 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.334 -8.187 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.907 -7.746 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.064 -10.606 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.192 -9.527 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.466 -11.142 3.081 1.00 0.00 H new ATOM 676 N VAL A 47 0.229 -8.910 2.619 1.00 0.00 N ATOM 677 CA VAL A 47 -0.948 -8.139 2.240 1.00 0.00 C ATOM 678 C VAL A 47 -1.585 -7.477 3.457 1.00 0.00 C ATOM 679 O VAL A 47 -2.112 -6.366 3.368 1.00 0.00 O ATOM 680 CB VAL A 47 -1.999 -9.023 1.543 1.00 0.00 C ATOM 681 CG1 VAL A 47 -3.258 -8.225 1.248 1.00 0.00 C ATOM 682 CG2 VAL A 47 -1.427 -9.625 0.268 1.00 0.00 C ATOM 0 H VAL A 47 0.111 -9.921 2.551 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.612 -7.370 1.544 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.265 -9.839 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.989 -8.867 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.677 -7.848 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.013 -7.387 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.183 -10.247 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.131 -8.825 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.557 -10.235 0.512 1.00 0.00 H new ATOM 692 N LYS A 48 -1.534 -8.162 4.593 1.00 0.00 N ATOM 693 CA LYS A 48 -2.103 -7.640 5.829 1.00 0.00 C ATOM 694 C LYS A 48 -1.357 -6.392 6.288 1.00 0.00 C ATOM 695 O LYS A 48 -1.969 -5.374 6.614 1.00 0.00 O ATOM 696 CB LYS A 48 -2.056 -8.707 6.927 1.00 0.00 C ATOM 697 CG LYS A 48 -3.278 -9.610 6.948 1.00 0.00 C ATOM 698 CD LYS A 48 -3.074 -10.801 7.870 1.00 0.00 C ATOM 699 CE LYS A 48 -3.457 -10.468 9.304 1.00 0.00 C ATOM 700 NZ LYS A 48 -3.542 -11.688 10.153 1.00 0.00 N ATOM 0 H LYS A 48 -1.103 -9.082 4.684 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.141 -7.371 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.164 -9.319 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.960 -8.216 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.148 -9.040 7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.489 -9.962 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.672 -11.641 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.031 -11.115 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.722 -9.782 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.417 -9.952 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.805 -11.419 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.261 -12.332 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.619 -12.167 10.165 1.00 0.00 H new ATOM 714 N LYS A 49 -0.031 -6.475 6.310 1.00 0.00 N ATOM 715 CA LYS A 49 0.800 -5.351 6.726 1.00 0.00 C ATOM 716 C LYS A 49 0.478 -4.105 5.908 1.00 0.00 C ATOM 717 O LYS A 49 0.086 -3.075 6.457 1.00 0.00 O ATOM 718 CB LYS A 49 2.282 -5.704 6.577 1.00 0.00 C ATOM 719 CG LYS A 49 2.885 -6.338 7.818 1.00 0.00 C ATOM 720 CD LYS A 49 2.331 -7.734 8.054 1.00 0.00 C ATOM 721 CE LYS A 49 2.418 -8.127 9.521 1.00 0.00 C ATOM 722 NZ LYS A 49 3.714 -8.786 9.843 1.00 0.00 N ATOM 0 H LYS A 49 0.492 -7.310 6.044 1.00 0.00 H new ATOM 0 HA LYS A 49 0.587 -5.141 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.401 -6.387 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.839 -4.799 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.969 -6.388 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.678 -5.711 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.292 -7.775 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.884 -8.453 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.298 -7.240 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.597 -8.801 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.734 -9.038 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.818 -9.647 9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.497 -8.134 9.634 1.00 0.00 H new ATOM 736 N TRP A 50 0.644 -4.205 4.594 1.00 0.00 N ATOM 737 CA TRP A 50 0.370 -3.086 3.701 1.00 0.00 C ATOM 738 C TRP A 50 -0.920 -2.377 4.097 1.00 0.00 C ATOM 739 O TRP A 50 -0.906 -1.205 4.473 1.00 0.00 O ATOM 740 CB TRP A 50 0.276 -3.572 2.253 1.00 0.00 C ATOM 741 CG TRP A 50 0.153 -2.458 1.259 1.00 0.00 C ATOM 742 CD1 TRP A 50 1.170 -1.858 0.571 1.00 0.00 C ATOM 743 CD2 TRP A 50 -1.054 -1.809 0.844 1.00 0.00 C ATOM 744 NE1 TRP A 50 0.665 -0.875 -0.248 1.00 0.00 N ATOM 745 CE2 TRP A 50 -0.695 -0.827 -0.099 1.00 0.00 C ATOM 746 CE3 TRP A 50 -2.402 -1.964 1.175 1.00 0.00 C ATOM 747 CZ2 TRP A 50 -1.637 -0.004 -0.711 1.00 0.00 C ATOM 748 CZ3 TRP A 50 -3.335 -1.148 0.566 1.00 0.00 C ATOM 749 CH2 TRP A 50 -2.951 -0.177 -0.369 1.00 0.00 C ATOM 0 H TRP A 50 0.967 -5.050 4.123 1.00 0.00 H new ATOM 0 HA TRP A 50 1.193 -2.377 3.785 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.161 -4.163 2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.585 -4.234 2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.215 -2.117 0.657 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.215 -0.278 -0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.709 -2.709 1.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.341 0.745 -1.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.380 -1.260 0.815 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -3.705 0.446 -0.828 1.00 0.00 H new ATOM 760 N PHE A 51 -2.035 -3.096 4.010 1.00 0.00 N ATOM 761 CA PHE A 51 -3.335 -2.534 4.360 1.00 0.00 C ATOM 762 C PHE A 51 -3.238 -1.683 5.623 1.00 0.00 C ATOM 763 O PHE A 51 -3.718 -0.550 5.657 1.00 0.00 O ATOM 764 CB PHE A 51 -4.358 -3.653 4.562 1.00 0.00 C ATOM 765 CG PHE A 51 -5.073 -4.047 3.301 1.00 0.00 C ATOM 766 CD1 PHE A 51 -5.875 -3.137 2.630 1.00 0.00 C ATOM 767 CD2 PHE A 51 -4.946 -5.327 2.788 1.00 0.00 C ATOM 768 CE1 PHE A 51 -6.533 -3.496 1.469 1.00 0.00 C ATOM 769 CE2 PHE A 51 -5.601 -5.692 1.627 1.00 0.00 C ATOM 770 CZ PHE A 51 -6.397 -4.777 0.969 1.00 0.00 C ATOM 0 H PHE A 51 -2.064 -4.068 3.701 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.661 -1.896 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.852 -4.527 4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.092 -3.334 5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.987 -2.136 3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.328 -6.049 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.152 -2.777 0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.490 -6.692 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.913 -5.062 0.064 1.00 0.00 H new ATOM 780 N GLU A 52 -2.615 -2.237 6.657 1.00 0.00 N ATOM 781 CA GLU A 52 -2.457 -1.529 7.922 1.00 0.00 C ATOM 782 C GLU A 52 -1.575 -0.298 7.749 1.00 0.00 C ATOM 783 O GLU A 52 -1.859 0.766 8.302 1.00 0.00 O ATOM 784 CB GLU A 52 -1.855 -2.458 8.979 1.00 0.00 C ATOM 785 CG GLU A 52 -2.861 -3.417 9.592 1.00 0.00 C ATOM 786 CD GLU A 52 -2.219 -4.403 10.549 1.00 0.00 C ATOM 787 OE1 GLU A 52 -1.915 -4.006 11.693 1.00 0.00 O ATOM 788 OE2 GLU A 52 -2.022 -5.571 10.153 1.00 0.00 O ATOM 0 H GLU A 52 -2.211 -3.174 6.644 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.443 -1.204 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.047 -3.033 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.412 -1.854 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.625 -2.847 10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.366 -3.965 8.797 1.00 0.00 H new ATOM 795 N LYS A 53 -0.503 -0.448 6.979 1.00 0.00 N ATOM 796 CA LYS A 53 0.422 0.651 6.731 1.00 0.00 C ATOM 797 C LYS A 53 -0.282 1.807 6.027 1.00 0.00 C ATOM 798 O LYS A 53 -0.320 2.926 6.539 1.00 0.00 O ATOM 799 CB LYS A 53 1.604 0.170 5.886 1.00 0.00 C ATOM 800 CG LYS A 53 2.765 -0.360 6.709 1.00 0.00 C ATOM 801 CD LYS A 53 2.629 -1.851 6.968 1.00 0.00 C ATOM 802 CE LYS A 53 3.868 -2.413 7.647 1.00 0.00 C ATOM 803 NZ LYS A 53 3.860 -2.162 9.115 1.00 0.00 N ATOM 0 H LYS A 53 -0.253 -1.321 6.515 1.00 0.00 H new ATOM 0 HA LYS A 53 0.791 1.005 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.261 -0.613 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.956 0.995 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.702 -0.164 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.812 0.173 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.755 -2.035 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.462 -2.372 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.928 -3.486 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.758 -1.964 7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.721 -2.561 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.829 -1.138 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.024 -2.612 9.540 1.00 0.00 H new ATOM 817 N MET A 54 -0.840 1.529 4.854 1.00 0.00 N ATOM 818 CA MET A 54 -1.546 2.546 4.082 1.00 0.00 C ATOM 819 C MET A 54 -2.667 3.172 4.906 1.00 0.00 C ATOM 820 O MET A 54 -2.815 4.392 4.941 1.00 0.00 O ATOM 821 CB MET A 54 -2.117 1.938 2.800 1.00 0.00 C ATOM 822 CG MET A 54 -2.240 2.933 1.658 1.00 0.00 C ATOM 823 SD MET A 54 -3.811 3.819 1.675 1.00 0.00 S ATOM 824 CE MET A 54 -4.608 3.122 0.229 1.00 0.00 C ATOM 0 H MET A 54 -0.817 0.608 4.416 1.00 0.00 H new ATOM 0 HA MET A 54 -0.833 3.327 3.818 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.480 1.112 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.100 1.519 3.013 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.422 3.651 1.717 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.134 2.406 0.709 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.448 3.752 -0.063 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.892 3.069 -0.591 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.969 2.120 0.460 1.00 0.00 H new ATOM 834 N GLN A 55 -3.452 2.327 5.567 1.00 0.00 N ATOM 835 CA GLN A 55 -4.560 2.800 6.389 1.00 0.00 C ATOM 836 C GLN A 55 -4.060 3.720 7.498 1.00 0.00 C ATOM 837 O GLN A 55 -4.765 4.636 7.921 1.00 0.00 O ATOM 838 CB GLN A 55 -5.317 1.615 6.992 1.00 0.00 C ATOM 839 CG GLN A 55 -6.246 0.922 6.009 1.00 0.00 C ATOM 840 CD GLN A 55 -7.011 -0.226 6.640 1.00 0.00 C ATOM 841 OE1 GLN A 55 -7.195 -1.301 5.882 1.00 0.00 O flip ATOM 842 NE2 GLN A 55 -7.430 -0.148 7.795 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.342 1.313 5.550 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.238 3.367 5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.597 0.890 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.899 1.963 7.845 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.953 1.649 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.664 0.547 5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.266 0.698 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.942 -0.929 8.206 1.00 0.00 H new ATOM 851 N ALA A 56 -2.843 3.467 7.965 1.00 0.00 N ATOM 852 CA ALA A 56 -2.250 4.273 9.025 1.00 0.00 C ATOM 853 C ALA A 56 -1.696 5.583 8.475 1.00 0.00 C ATOM 854 O ALA A 56 -1.683 6.601 9.165 1.00 0.00 O ATOM 855 CB ALA A 56 -1.152 3.491 9.731 1.00 0.00 C ATOM 0 H ALA A 56 -2.248 2.711 7.627 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.032 4.513 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.718 4.105 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.573 2.585 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.377 3.222 9.013 1.00 0.00 H new ATOM 861 N GLY A 57 -1.241 5.550 7.226 1.00 0.00 N ATOM 862 CA GLY A 57 -0.694 6.741 6.603 1.00 0.00 C ATOM 863 C GLY A 57 0.813 6.675 6.451 1.00 0.00 C ATOM 864 O GLY A 57 1.477 7.704 6.333 1.00 0.00 O ATOM 0 H GLY A 57 -1.242 4.719 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.150 6.876 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.958 7.614 7.200 1.00 0.00 H new ATOM 868 N GLN A 58 1.354 5.461 6.455 1.00 0.00 N ATOM 869 CA GLN A 58 2.791 5.265 6.319 1.00 0.00 C ATOM 870 C GLN A 58 3.208 5.284 4.851 1.00 0.00 C ATOM 871 O GLN A 58 4.195 5.922 4.484 1.00 0.00 O ATOM 872 CB GLN A 58 3.211 3.942 6.962 1.00 0.00 C ATOM 873 CG GLN A 58 2.841 3.836 8.432 1.00 0.00 C ATOM 874 CD GLN A 58 3.610 4.812 9.300 1.00 0.00 C ATOM 875 OE1 GLN A 58 4.780 5.097 9.046 1.00 0.00 O ATOM 876 NE2 GLN A 58 2.954 5.333 10.330 1.00 0.00 N ATOM 0 H GLN A 58 0.818 4.599 6.551 1.00 0.00 H new ATOM 0 HA GLN A 58 3.293 6.086 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.746 3.120 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.289 3.823 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.772 4.017 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.031 2.820 8.778 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.984 5.068 10.504 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.420 5.998 10.948 1.00 0.00 H new ATOM 885 N ILE A 59 2.448 4.582 4.017 1.00 0.00 N ATOM 886 CA ILE A 59 2.737 4.520 2.590 1.00 0.00 C ATOM 887 C ILE A 59 2.422 5.848 1.907 1.00 0.00 C ATOM 888 O ILE A 59 1.340 6.405 2.081 1.00 0.00 O ATOM 889 CB ILE A 59 1.936 3.400 1.901 1.00 0.00 C ATOM 890 CG1 ILE A 59 2.234 2.052 2.561 1.00 0.00 C ATOM 891 CG2 ILE A 59 2.262 3.351 0.416 1.00 0.00 C ATOM 892 CD1 ILE A 59 1.336 0.932 2.081 1.00 0.00 C ATOM 0 H ILE A 59 1.628 4.048 4.305 1.00 0.00 H new ATOM 0 HA ILE A 59 3.802 4.307 2.493 1.00 0.00 H new ATOM 0 HB ILE A 59 0.873 3.613 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.272 1.783 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.128 2.154 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.688 2.554 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.006 4.305 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.327 3.159 0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.604 0.007 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.297 1.179 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.459 0.802 1.006 1.00 0.00 H new ATOM 904 N SER A 60 3.377 6.347 1.128 1.00 0.00 N ATOM 905 CA SER A 60 3.203 7.609 0.420 1.00 0.00 C ATOM 906 C SER A 60 2.609 8.672 1.340 1.00 0.00 C ATOM 907 O SER A 60 1.732 9.436 0.940 1.00 0.00 O ATOM 908 CB SER A 60 2.301 7.414 -0.800 1.00 0.00 C ATOM 909 OG SER A 60 3.061 7.071 -1.946 1.00 0.00 O ATOM 0 H SER A 60 4.279 5.896 0.972 1.00 0.00 H new ATOM 0 HA SER A 60 4.184 7.948 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.572 6.630 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.740 8.329 -0.992 1.00 0.00 H new ATOM 0 HG SER A 60 2.462 6.950 -2.712 1.00 0.00 H new ATOM 915 N VAL A 61 3.095 8.711 2.577 1.00 0.00 N ATOM 916 CA VAL A 61 2.614 9.679 3.556 1.00 0.00 C ATOM 917 C VAL A 61 2.603 11.089 2.975 1.00 0.00 C ATOM 918 O VAL A 61 1.842 11.947 3.422 1.00 0.00 O ATOM 919 CB VAL A 61 3.480 9.667 4.830 1.00 0.00 C ATOM 920 CG1 VAL A 61 4.947 9.865 4.480 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.007 10.735 5.805 1.00 0.00 C ATOM 0 H VAL A 61 3.821 8.084 2.925 1.00 0.00 H new ATOM 0 HA VAL A 61 1.596 9.388 3.815 1.00 0.00 H new ATOM 0 HB VAL A 61 3.374 8.695 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.543 9.854 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.276 9.061 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.075 10.822 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.630 10.713 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.082 11.716 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.970 10.543 6.080 1.00 0.00 H new ATOM 931 N GLN A 62 3.450 11.318 1.978 1.00 0.00 N ATOM 932 CA GLN A 62 3.537 12.625 1.336 1.00 0.00 C ATOM 933 C GLN A 62 2.524 12.743 0.204 1.00 0.00 C ATOM 934 O GLN A 62 2.775 12.299 -0.917 1.00 0.00 O ATOM 935 CB GLN A 62 4.950 12.859 0.799 1.00 0.00 C ATOM 936 CG GLN A 62 5.977 13.135 1.886 1.00 0.00 C ATOM 937 CD GLN A 62 7.242 13.772 1.345 1.00 0.00 C ATOM 938 OE1 GLN A 62 8.025 13.128 0.646 1.00 0.00 O ATOM 939 NE2 GLN A 62 7.449 15.043 1.667 1.00 0.00 N ATOM 0 H GLN A 62 4.085 10.617 1.597 1.00 0.00 H new ATOM 0 HA GLN A 62 3.309 13.385 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.263 11.984 0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.932 13.700 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.538 13.790 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.231 12.201 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.773 15.538 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.284 15.524 1.332 1.00 0.00 H new ATOM 948 N SER A 63 1.376 13.344 0.504 1.00 0.00 N ATOM 949 CA SER A 63 0.323 13.518 -0.489 1.00 0.00 C ATOM 950 C SER A 63 0.600 14.731 -1.371 1.00 0.00 C ATOM 951 O SER A 63 0.646 15.864 -0.891 1.00 0.00 O ATOM 952 CB SER A 63 -1.035 13.675 0.200 1.00 0.00 C ATOM 953 OG SER A 63 -2.097 13.436 -0.707 1.00 0.00 O ATOM 0 H SER A 63 1.152 13.718 1.426 1.00 0.00 H new ATOM 0 HA SER A 63 0.304 12.629 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.104 12.980 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.123 14.680 0.612 1.00 0.00 H new ATOM 0 HG SER A 63 -2.954 13.541 -0.243 1.00 0.00 H new ATOM 959 N SER A 64 0.787 14.485 -2.664 1.00 0.00 N ATOM 960 CA SER A 64 1.065 15.556 -3.614 1.00 0.00 C ATOM 961 C SER A 64 -0.164 16.437 -3.813 1.00 0.00 C ATOM 962 O SER A 64 -1.171 15.999 -4.365 1.00 0.00 O ATOM 963 CB SER A 64 1.512 14.972 -4.956 1.00 0.00 C ATOM 964 OG SER A 64 2.634 14.121 -4.794 1.00 0.00 O ATOM 0 H SER A 64 0.751 13.553 -3.078 1.00 0.00 H new ATOM 0 HA SER A 64 1.869 16.170 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.690 14.414 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.761 15.781 -5.643 1.00 0.00 H new ATOM 0 HG SER A 64 2.899 13.759 -5.665 1.00 0.00 H new TER 970 SER A 64