USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 826 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 92 GLN : amide:sc= 2.56 K(o=2.9,f=0.8) USER MOD Set 1.2: A 104 HIS : no HE2:sc= 0.32 K(o=2.9,f=-2.1!) USER MOD Set 2.1: A 91 THR OG1 : rot -170:sc=-0.00277 USER MOD Set 2.2: A 93 GLN : amide:sc= -4.6 K(o=-4.6,f=-3) USER MOD Set 3.1: A 52 SER OG : rot 75:sc= 1.19 USER MOD Set 3.2: A 61 HIS : no HD1:sc= 0.975 K(o=2.2,f=-3.6!) USER MOD Set 4.1: A 19 TYR OH : rot 35:sc= 0.541 USER MOD Set 4.2: A 49 TYR OH : rot 180:sc= 0.0934 USER MOD Single : A 10 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.2) USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= -0.603 (180deg=-0.798) USER MOD Single : A 14 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.32) USER MOD Single : A 16 GLN : amide:sc= 0.416 K(o=0.42,f=-0.53) USER MOD Single : A 20 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-1.1) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 39:sc= 0.453 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.263! C(o=-0.26!,f=-3.8!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.5) USER MOD Single : A 65 GLN : amide:sc= 0.548 K(o=0.55,f=-7.2!) USER MOD Single : A 66 SER OG : rot 109:sc= 0.434 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc=-0.000161 X(o=-0.00016,f=-0.018) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 14:sc= 0.238 USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00248) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -90:sc= 0.807 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0175 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 11.148 8.727 6.918 1.00 0.00 N ATOM 67 CA GLU A 8 10.949 7.511 6.126 1.00 0.00 C ATOM 68 C GLU A 8 9.881 7.660 5.055 1.00 0.00 C ATOM 69 O GLU A 8 10.044 7.156 3.943 1.00 0.00 O ATOM 70 CB GLU A 8 10.579 6.361 7.071 1.00 0.00 C ATOM 71 CG GLU A 8 11.831 5.753 7.703 1.00 0.00 C ATOM 72 CD GLU A 8 12.698 6.790 8.425 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.332 7.211 9.548 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.701 7.258 7.828 1.00 0.00 O ATOM 0 HA GLU A 8 11.883 7.305 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.913 6.727 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.034 5.593 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.535 4.978 8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.424 5.267 6.928 1.00 0.00 H new ATOM 81 N VAL A 9 8.812 8.396 5.347 1.00 0.00 N ATOM 82 CA VAL A 9 7.747 8.581 4.382 1.00 0.00 C ATOM 83 C VAL A 9 8.242 9.312 3.117 1.00 0.00 C ATOM 84 O VAL A 9 7.684 9.136 2.033 1.00 0.00 O ATOM 85 CB VAL A 9 6.573 9.285 5.086 1.00 0.00 C ATOM 86 CG1 VAL A 9 6.786 10.796 5.248 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.278 9.015 4.336 1.00 0.00 C ATOM 0 H VAL A 9 8.666 8.869 6.239 1.00 0.00 H new ATOM 0 HA VAL A 9 7.395 7.616 4.018 1.00 0.00 H new ATOM 0 HB VAL A 9 6.514 8.869 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.923 11.233 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.682 10.975 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.904 11.254 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.453 9.517 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.362 9.392 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.089 7.942 4.311 1.00 0.00 H new ATOM 97 N GLN A 10 9.293 10.133 3.246 1.00 0.00 N ATOM 98 CA GLN A 10 9.874 10.883 2.144 1.00 0.00 C ATOM 99 C GLN A 10 10.694 9.986 1.219 1.00 0.00 C ATOM 100 O GLN A 10 11.064 10.442 0.136 1.00 0.00 O ATOM 101 CB GLN A 10 10.770 12.029 2.651 1.00 0.00 C ATOM 102 CG GLN A 10 10.103 12.978 3.657 1.00 0.00 C ATOM 103 CD GLN A 10 8.832 13.620 3.109 1.00 0.00 C ATOM 104 OE1 GLN A 10 8.721 13.934 1.923 1.00 0.00 O ATOM 105 NE2 GLN A 10 7.851 13.837 3.962 1.00 0.00 N ATOM 0 H GLN A 10 9.765 10.291 4.136 1.00 0.00 H new ATOM 0 HA GLN A 10 9.037 11.301 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.658 11.598 3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.109 12.612 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.863 12.427 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.809 13.760 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.958 13.571 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.985 14.271 3.643 1.00 0.00 H new ATOM 114 N LYS A 11 11.028 8.751 1.621 1.00 0.00 N ATOM 115 CA LYS A 11 11.801 7.843 0.774 1.00 0.00 C ATOM 116 C LYS A 11 10.999 7.668 -0.520 1.00 0.00 C ATOM 117 O LYS A 11 9.764 7.586 -0.456 1.00 0.00 O ATOM 118 CB LYS A 11 12.060 6.502 1.481 1.00 0.00 C ATOM 119 CG LYS A 11 12.970 6.665 2.710 1.00 0.00 C ATOM 120 CD LYS A 11 12.930 5.484 3.692 1.00 0.00 C ATOM 121 CE LYS A 11 13.734 4.250 3.281 1.00 0.00 C ATOM 122 NZ LYS A 11 13.116 3.467 2.193 1.00 0.00 N ATOM 0 H LYS A 11 10.773 8.362 2.529 1.00 0.00 H new ATOM 0 HA LYS A 11 12.788 8.251 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.110 6.065 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.519 5.805 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.996 6.805 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.683 7.573 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.296 5.828 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.891 5.187 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.729 4.565 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.862 3.606 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.816 2.541 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.289 3.978 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.807 3.329 1.428 1.00 0.00 H new ATOM 136 N PRO A 12 11.654 7.627 -1.690 1.00 0.00 N ATOM 137 CA PRO A 12 10.929 7.484 -2.936 1.00 0.00 C ATOM 138 C PRO A 12 10.206 6.145 -2.942 1.00 0.00 C ATOM 139 O PRO A 12 10.683 5.180 -2.342 1.00 0.00 O ATOM 140 CB PRO A 12 11.968 7.640 -4.043 1.00 0.00 C ATOM 141 CG PRO A 12 13.284 7.253 -3.371 1.00 0.00 C ATOM 142 CD PRO A 12 13.087 7.692 -1.922 1.00 0.00 C ATOM 0 HA PRO A 12 10.150 8.233 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.748 6.992 -4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.998 8.662 -4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.472 6.182 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.133 7.758 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.626 7.038 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.465 8.702 -1.763 1.00 0.00 H new ATOM 150 N LEU A 13 9.077 6.051 -3.650 1.00 0.00 N ATOM 151 CA LEU A 13 8.305 4.811 -3.701 1.00 0.00 C ATOM 152 C LEU A 13 9.150 3.603 -4.133 1.00 0.00 C ATOM 153 O LEU A 13 8.930 2.510 -3.621 1.00 0.00 O ATOM 154 CB LEU A 13 7.041 4.992 -4.556 1.00 0.00 C ATOM 155 CG LEU A 13 6.319 3.675 -4.946 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.820 3.932 -5.062 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.796 3.157 -6.309 1.00 0.00 C ATOM 0 H LEU A 13 8.680 6.817 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 13 7.981 4.583 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.340 5.625 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.311 5.525 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 13 6.543 2.939 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.312 3.007 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.437 4.287 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.638 4.686 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.270 2.233 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.589 3.904 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.868 2.965 -6.270 1.00 0.00 H new ATOM 169 N HIS A 14 10.126 3.770 -5.030 1.00 0.00 N ATOM 170 CA HIS A 14 10.959 2.648 -5.467 1.00 0.00 C ATOM 171 C HIS A 14 11.854 2.081 -4.354 1.00 0.00 C ATOM 172 O HIS A 14 12.418 0.999 -4.522 1.00 0.00 O ATOM 173 CB HIS A 14 11.789 3.035 -6.695 1.00 0.00 C ATOM 174 CG HIS A 14 12.739 4.186 -6.478 1.00 0.00 C ATOM 175 ND1 HIS A 14 12.599 5.451 -6.998 1.00 0.00 N ATOM 176 CD2 HIS A 14 13.926 4.144 -5.797 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.676 6.164 -6.630 1.00 0.00 C ATOM 178 NE2 HIS A 14 14.504 5.413 -5.885 1.00 0.00 N ATOM 0 H HIS A 14 10.357 4.664 -5.464 1.00 0.00 H new ATOM 0 HA HIS A 14 10.274 1.846 -5.740 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.361 2.166 -7.018 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.111 3.290 -7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.340 3.287 -5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.852 7.196 -6.896 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.384 5.711 -5.465 1.00 0.00 H new ATOM 186 N GLU A 15 12.028 2.809 -3.250 1.00 0.00 N ATOM 187 CA GLU A 15 12.833 2.440 -2.093 1.00 0.00 C ATOM 188 C GLU A 15 11.930 1.975 -0.946 1.00 0.00 C ATOM 189 O GLU A 15 12.428 1.602 0.119 1.00 0.00 O ATOM 190 CB GLU A 15 13.601 3.681 -1.593 1.00 0.00 C ATOM 191 CG GLU A 15 15.008 3.894 -2.170 1.00 0.00 C ATOM 192 CD GLU A 15 15.899 4.726 -1.233 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.642 4.765 -0.006 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.934 5.258 -1.682 1.00 0.00 O ATOM 0 H GLU A 15 11.585 3.721 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 15 13.514 1.642 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.003 4.565 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.683 3.617 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.476 2.926 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.931 4.395 -3.135 1.00 0.00 H new ATOM 201 N GLN A 16 10.611 2.071 -1.109 1.00 0.00 N ATOM 202 CA GLN A 16 9.683 1.685 -0.075 1.00 0.00 C ATOM 203 C GLN A 16 9.733 0.188 0.163 1.00 0.00 C ATOM 204 O GLN A 16 9.594 -0.610 -0.764 1.00 0.00 O ATOM 205 CB GLN A 16 8.275 2.152 -0.418 1.00 0.00 C ATOM 206 CG GLN A 16 8.145 3.677 -0.328 1.00 0.00 C ATOM 207 CD GLN A 16 8.217 4.249 1.082 1.00 0.00 C ATOM 208 OE1 GLN A 16 7.972 3.576 2.078 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.553 5.520 1.185 1.00 0.00 N ATOM 0 H GLN A 16 10.169 2.418 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 16 9.977 2.173 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.018 1.824 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.561 1.685 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.935 4.130 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.196 3.972 -0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.753 6.064 0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.613 5.959 2.104 1.00 0.00 H new ATOM 218 N LEU A 17 9.843 -0.182 1.434 1.00 0.00 N ATOM 219 CA LEU A 17 9.913 -1.566 1.878 1.00 0.00 C ATOM 220 C LEU A 17 8.677 -2.400 1.513 1.00 0.00 C ATOM 221 O LEU A 17 8.726 -3.613 1.663 1.00 0.00 O ATOM 222 CB LEU A 17 10.348 -1.659 3.353 1.00 0.00 C ATOM 223 CG LEU A 17 9.315 -1.323 4.449 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.970 -1.500 5.815 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.732 0.092 4.362 1.00 0.00 C ATOM 0 H LEU A 17 9.887 0.489 2.201 1.00 0.00 H new ATOM 0 HA LEU A 17 10.704 -2.048 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.701 -2.675 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.203 -0.996 3.489 1.00 0.00 H new ATOM 0 HG LEU A 17 8.480 -2.008 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.249 -1.265 6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.304 -2.531 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.826 -0.830 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.016 0.241 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.536 0.823 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.229 0.220 3.403 1.00 0.00 H new ATOM 237 N TRP A 18 7.573 -1.807 1.046 1.00 0.00 N ATOM 238 CA TRP A 18 6.352 -2.511 0.622 1.00 0.00 C ATOM 239 C TRP A 18 6.252 -2.571 -0.906 1.00 0.00 C ATOM 240 O TRP A 18 5.283 -3.120 -1.446 1.00 0.00 O ATOM 241 CB TRP A 18 5.102 -1.830 1.191 1.00 0.00 C ATOM 242 CG TRP A 18 5.180 -0.352 1.409 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.485 0.261 2.575 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.004 0.715 0.436 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.434 1.631 2.407 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.064 1.956 1.122 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.843 0.767 -0.962 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.860 3.172 0.470 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.685 1.992 -1.639 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.658 3.198 -0.919 1.00 0.00 C ATOM 0 H TRP A 18 7.499 -0.794 0.949 1.00 0.00 H new ATOM 0 HA TRP A 18 6.411 -3.528 1.011 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.269 -2.031 0.517 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.862 -2.302 2.144 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.731 -0.244 3.497 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.643 2.311 3.138 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.841 -0.153 -1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.857 4.093 1.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.584 2.004 -2.714 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.484 4.134 -1.428 1.00 0.00 H new ATOM 261 N TYR A 19 7.193 -1.964 -1.626 1.00 0.00 N ATOM 262 CA TYR A 19 7.203 -1.953 -3.069 1.00 0.00 C ATOM 263 C TYR A 19 7.872 -3.223 -3.573 1.00 0.00 C ATOM 264 O TYR A 19 9.095 -3.302 -3.673 1.00 0.00 O ATOM 265 CB TYR A 19 7.901 -0.682 -3.556 1.00 0.00 C ATOM 266 CG TYR A 19 7.834 -0.503 -5.054 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.577 -0.415 -5.671 1.00 0.00 C ATOM 268 CD2 TYR A 19 9.008 -0.367 -5.817 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.482 -0.121 -7.039 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.924 -0.029 -7.180 1.00 0.00 C ATOM 271 CZ TYR A 19 7.656 0.142 -7.779 1.00 0.00 C ATOM 272 OH TYR A 19 7.575 0.600 -9.057 1.00 0.00 O ATOM 0 H TYR A 19 7.976 -1.462 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 19 6.189 -1.940 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.446 0.183 -3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.946 -0.707 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.680 -0.574 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.973 -0.522 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.517 -0.096 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.823 0.099 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 19 6.799 1.193 -9.144 1.00 0.00 H new ATOM 282 N HIS A 20 7.065 -4.239 -3.874 1.00 0.00 N ATOM 283 CA HIS A 20 7.578 -5.516 -4.376 1.00 0.00 C ATOM 284 C HIS A 20 7.820 -5.477 -5.889 1.00 0.00 C ATOM 285 O HIS A 20 8.384 -6.416 -6.450 1.00 0.00 O ATOM 286 CB HIS A 20 6.625 -6.653 -4.009 1.00 0.00 C ATOM 287 CG HIS A 20 6.714 -7.075 -2.564 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.381 -8.183 -2.089 1.00 0.00 N ATOM 289 CD2 HIS A 20 6.136 -6.451 -1.492 1.00 0.00 C ATOM 290 CE1 HIS A 20 7.139 -8.264 -0.772 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.399 -7.223 -0.360 1.00 0.00 N ATOM 0 H HIS A 20 6.050 -4.204 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 20 8.541 -5.697 -3.899 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.603 -6.343 -4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.838 -7.513 -4.643 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.577 -5.527 -1.518 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.492 -9.058 -0.131 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.090 -7.033 0.593 1.00 0.00 H new ATOM 299 N GLY A 21 7.422 -4.402 -6.571 1.00 0.00 N ATOM 300 CA GLY A 21 7.596 -4.264 -8.005 1.00 0.00 C ATOM 301 C GLY A 21 6.401 -4.829 -8.773 1.00 0.00 C ATOM 302 O GLY A 21 5.325 -5.028 -8.207 1.00 0.00 O ATOM 0 H GLY A 21 6.967 -3.600 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.727 -3.212 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.505 -4.781 -8.313 1.00 0.00 H new ATOM 306 N ALA A 22 6.564 -5.095 -10.069 1.00 0.00 N ATOM 307 CA ALA A 22 5.542 -5.626 -10.973 1.00 0.00 C ATOM 308 C ALA A 22 5.197 -7.112 -10.721 1.00 0.00 C ATOM 309 O ALA A 22 5.068 -7.888 -11.674 1.00 0.00 O ATOM 310 CB ALA A 22 6.016 -5.378 -12.415 1.00 0.00 C ATOM 0 H ALA A 22 7.455 -4.939 -10.540 1.00 0.00 H new ATOM 0 HA ALA A 22 4.605 -5.103 -10.785 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.273 -5.764 -13.114 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.145 -4.308 -12.577 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.966 -5.886 -12.578 1.00 0.00 H new ATOM 316 N ILE A 23 5.048 -7.555 -9.472 1.00 0.00 N ATOM 317 CA ILE A 23 4.727 -8.949 -9.159 1.00 0.00 C ATOM 318 C ILE A 23 3.264 -9.310 -9.509 1.00 0.00 C ATOM 319 O ILE A 23 2.365 -8.463 -9.425 1.00 0.00 O ATOM 320 CB ILE A 23 5.080 -9.285 -7.695 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.349 -8.384 -6.679 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.607 -9.217 -7.513 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.303 -9.027 -5.293 1.00 0.00 C ATOM 0 H ILE A 23 5.146 -6.959 -8.650 1.00 0.00 H new ATOM 0 HA ILE A 23 5.350 -9.576 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 23 4.734 -10.298 -7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.853 -7.420 -6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.334 -8.191 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.861 -9.454 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.085 -9.936 -8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.958 -8.213 -7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.781 -8.365 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.776 -9.979 -5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.319 -9.196 -4.936 1.00 0.00 H new ATOM 335 N PRO A 24 2.991 -10.571 -9.884 1.00 0.00 N ATOM 336 CA PRO A 24 1.657 -11.048 -10.248 1.00 0.00 C ATOM 337 C PRO A 24 0.778 -11.305 -9.020 1.00 0.00 C ATOM 338 O PRO A 24 1.276 -11.609 -7.936 1.00 0.00 O ATOM 339 CB PRO A 24 1.909 -12.345 -11.018 1.00 0.00 C ATOM 340 CG PRO A 24 3.120 -12.891 -10.285 1.00 0.00 C ATOM 341 CD PRO A 24 3.956 -11.650 -10.025 1.00 0.00 C ATOM 0 HA PRO A 24 1.116 -10.306 -10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.058 -13.024 -10.970 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.113 -12.164 -12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.839 -13.389 -9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.660 -13.621 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.559 -11.761 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.645 -11.459 -10.847 1.00 0.00 H new ATOM 349 N ARG A 25 -0.547 -11.274 -9.190 1.00 0.00 N ATOM 350 CA ARG A 25 -1.502 -11.490 -8.093 1.00 0.00 C ATOM 351 C ARG A 25 -1.347 -12.837 -7.393 1.00 0.00 C ATOM 352 O ARG A 25 -1.587 -12.921 -6.187 1.00 0.00 O ATOM 353 CB ARG A 25 -2.947 -11.292 -8.570 1.00 0.00 C ATOM 354 CG ARG A 25 -3.397 -12.315 -9.635 1.00 0.00 C ATOM 355 CD ARG A 25 -4.799 -12.031 -10.174 1.00 0.00 C ATOM 356 NE ARG A 25 -4.891 -10.689 -10.767 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.879 -10.257 -11.551 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.978 -10.975 -11.747 1.00 0.00 N ATOM 359 NH2 ARG A 25 -5.754 -9.071 -12.128 1.00 0.00 N ATOM 0 H ARG A 25 -0.991 -11.099 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.264 -10.732 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.615 -11.357 -7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.050 -10.287 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.687 -12.308 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.374 -13.316 -9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.059 -12.779 -10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.525 -12.123 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.136 -10.034 -10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.082 -11.882 -11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.718 -10.620 -12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.916 -8.512 -11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.496 -8.717 -12.733 1.00 0.00 H new ATOM 373 N ALA A 26 -0.952 -13.870 -8.130 1.00 0.00 N ATOM 374 CA ALA A 26 -0.771 -15.196 -7.573 1.00 0.00 C ATOM 375 C ALA A 26 0.402 -15.222 -6.585 1.00 0.00 C ATOM 376 O ALA A 26 0.371 -15.988 -5.628 1.00 0.00 O ATOM 377 CB ALA A 26 -0.552 -16.165 -8.730 1.00 0.00 C ATOM 0 H ALA A 26 -0.750 -13.807 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.656 -15.492 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.413 -17.173 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.421 -16.148 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.334 -15.868 -9.291 1.00 0.00 H new ATOM 383 N GLU A 27 1.431 -14.397 -6.809 1.00 0.00 N ATOM 384 CA GLU A 27 2.600 -14.324 -5.934 1.00 0.00 C ATOM 385 C GLU A 27 2.316 -13.326 -4.807 1.00 0.00 C ATOM 386 O GLU A 27 2.789 -13.513 -3.690 1.00 0.00 O ATOM 387 CB GLU A 27 3.848 -13.926 -6.733 1.00 0.00 C ATOM 388 CG GLU A 27 4.214 -14.899 -7.874 1.00 0.00 C ATOM 389 CD GLU A 27 4.689 -16.303 -7.512 1.00 0.00 C ATOM 390 OE1 GLU A 27 4.841 -16.659 -6.323 1.00 0.00 O ATOM 391 OE2 GLU A 27 4.920 -17.072 -8.477 1.00 0.00 O ATOM 0 H GLU A 27 1.474 -13.761 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 27 2.795 -15.304 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.693 -12.933 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.694 -13.853 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.339 -15.001 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.995 -14.429 -8.472 1.00 0.00 H new ATOM 398 N VAL A 28 1.531 -12.273 -5.070 1.00 0.00 N ATOM 399 CA VAL A 28 1.142 -11.264 -4.078 1.00 0.00 C ATOM 400 C VAL A 28 0.459 -11.997 -2.926 1.00 0.00 C ATOM 401 O VAL A 28 0.775 -11.724 -1.774 1.00 0.00 O ATOM 402 CB VAL A 28 0.167 -10.262 -4.722 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.629 -9.441 -3.703 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.881 -9.313 -5.686 1.00 0.00 C ATOM 0 H VAL A 28 1.142 -12.096 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 28 2.011 -10.714 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.541 -10.879 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.295 -8.756 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.218 -10.111 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.059 -8.871 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.158 -8.622 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.642 -8.750 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.353 -9.890 -6.481 1.00 0.00 H new ATOM 414 N ALA A 29 -0.451 -12.928 -3.238 1.00 0.00 N ATOM 415 CA ALA A 29 -1.192 -13.707 -2.256 1.00 0.00 C ATOM 416 C ALA A 29 -0.298 -14.475 -1.279 1.00 0.00 C ATOM 417 O ALA A 29 -0.785 -14.874 -0.224 1.00 0.00 O ATOM 418 CB ALA A 29 -2.110 -14.688 -2.983 1.00 0.00 C ATOM 0 H ALA A 29 -0.693 -13.160 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.765 -12.998 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.668 -15.274 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.807 -14.135 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.511 -15.355 -3.603 1.00 0.00 H new ATOM 424 N GLU A 30 0.976 -14.703 -1.602 1.00 0.00 N ATOM 425 CA GLU A 30 1.895 -15.425 -0.735 1.00 0.00 C ATOM 426 C GLU A 30 2.587 -14.522 0.281 1.00 0.00 C ATOM 427 O GLU A 30 3.182 -15.031 1.233 1.00 0.00 O ATOM 428 CB GLU A 30 2.906 -16.212 -1.591 1.00 0.00 C ATOM 429 CG GLU A 30 2.228 -17.265 -2.485 1.00 0.00 C ATOM 430 CD GLU A 30 1.224 -18.117 -1.706 1.00 0.00 C ATOM 431 OE1 GLU A 30 1.490 -18.460 -0.533 1.00 0.00 O ATOM 432 OE2 GLU A 30 0.089 -18.324 -2.186 1.00 0.00 O ATOM 0 H GLU A 30 1.396 -14.389 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 30 1.311 -16.130 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.467 -15.517 -2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.625 -16.705 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.718 -16.767 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.988 -17.911 -2.924 1.00 0.00 H new ATOM 439 N LEU A 31 2.498 -13.205 0.102 1.00 0.00 N ATOM 440 CA LEU A 31 3.103 -12.201 0.964 1.00 0.00 C ATOM 441 C LEU A 31 2.242 -11.934 2.192 1.00 0.00 C ATOM 442 O LEU A 31 2.743 -11.915 3.313 1.00 0.00 O ATOM 443 CB LEU A 31 3.282 -10.903 0.154 1.00 0.00 C ATOM 444 CG LEU A 31 4.242 -11.063 -1.032 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.209 -9.802 -1.889 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.669 -11.337 -0.547 1.00 0.00 C ATOM 0 H LEU A 31 1.982 -12.797 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 31 4.069 -12.567 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.310 -10.574 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.655 -10.119 0.813 1.00 0.00 H new ATOM 0 HG LEU A 31 3.920 -11.916 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.891 -9.917 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.197 -9.641 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.515 -8.946 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.331 -11.447 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.010 -10.505 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.683 -12.254 0.041 1.00 0.00 H new ATOM 458 N LEU A 32 0.954 -11.667 1.970 1.00 0.00 N ATOM 459 CA LEU A 32 -0.006 -11.376 3.032 1.00 0.00 C ATOM 460 C LEU A 32 -0.500 -12.690 3.631 1.00 0.00 C ATOM 461 O LEU A 32 -0.958 -13.555 2.885 1.00 0.00 O ATOM 462 CB LEU A 32 -1.205 -10.532 2.526 1.00 0.00 C ATOM 463 CG LEU A 32 -1.058 -9.877 1.148 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.477 -10.861 0.049 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.970 -8.672 0.999 1.00 0.00 C ATOM 0 H LEU A 32 0.545 -11.647 1.036 1.00 0.00 H new ATOM 0 HA LEU A 32 0.500 -10.782 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.086 -11.173 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.399 -9.746 3.256 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.013 -9.580 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.369 -10.385 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.843 -11.747 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.517 -11.151 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.837 -8.235 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.007 -8.983 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.721 -7.931 1.759 1.00 0.00 H new ATOM 477 N VAL A 33 -0.508 -12.813 4.963 1.00 0.00 N ATOM 478 CA VAL A 33 -0.957 -14.021 5.669 1.00 0.00 C ATOM 479 C VAL A 33 -1.892 -13.680 6.841 1.00 0.00 C ATOM 480 O VAL A 33 -2.813 -14.445 7.140 1.00 0.00 O ATOM 481 CB VAL A 33 0.273 -14.823 6.166 1.00 0.00 C ATOM 482 CG1 VAL A 33 -0.121 -16.235 6.630 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.359 -14.978 5.090 1.00 0.00 C ATOM 0 H VAL A 33 -0.200 -12.069 5.589 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.527 -14.632 4.969 1.00 0.00 H new ATOM 0 HB VAL A 33 0.670 -14.242 6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.767 -16.767 6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.837 -16.162 7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.573 -16.778 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.195 -15.548 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.946 -15.503 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.708 -13.993 4.781 1.00 0.00 H new ATOM 493 N HIS A 34 -1.715 -12.508 7.456 1.00 0.00 N ATOM 494 CA HIS A 34 -2.482 -12.025 8.595 1.00 0.00 C ATOM 495 C HIS A 34 -3.217 -10.740 8.217 1.00 0.00 C ATOM 496 O HIS A 34 -2.599 -9.819 7.680 1.00 0.00 O ATOM 497 CB HIS A 34 -1.499 -11.826 9.750 1.00 0.00 C ATOM 498 CG HIS A 34 -0.677 -13.072 10.001 1.00 0.00 C ATOM 499 ND1 HIS A 34 -1.161 -14.343 10.250 1.00 0.00 N ATOM 500 CD2 HIS A 34 0.662 -13.187 9.752 1.00 0.00 C ATOM 501 CE1 HIS A 34 -0.127 -15.196 10.170 1.00 0.00 C ATOM 502 NE2 HIS A 34 1.006 -14.534 9.887 1.00 0.00 N ATOM 0 H HIS A 34 -1.000 -11.845 7.156 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.249 -12.737 8.901 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.836 -10.991 9.525 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.047 -11.563 10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.334 -12.381 9.497 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.197 -16.264 10.313 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.938 -14.937 9.789 1.00 0.00 H new ATOM 510 N SER A 35 -4.535 -10.699 8.427 1.00 0.00 N ATOM 511 CA SER A 35 -5.416 -9.569 8.121 1.00 0.00 C ATOM 512 C SER A 35 -4.783 -8.255 8.595 1.00 0.00 C ATOM 513 O SER A 35 -4.691 -8.051 9.809 1.00 0.00 O ATOM 514 CB SER A 35 -6.770 -9.830 8.794 1.00 0.00 C ATOM 515 OG SER A 35 -6.574 -10.119 10.167 1.00 0.00 O ATOM 0 H SER A 35 -5.040 -11.487 8.833 1.00 0.00 H new ATOM 0 HA SER A 35 -5.564 -9.474 7.045 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.415 -8.958 8.685 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.275 -10.664 8.306 1.00 0.00 H new ATOM 0 HG SER A 35 -5.866 -9.544 10.525 1.00 0.00 H new ATOM 521 N GLY A 36 -4.389 -7.363 7.680 1.00 0.00 N ATOM 522 CA GLY A 36 -3.742 -6.104 8.036 1.00 0.00 C ATOM 523 C GLY A 36 -2.448 -5.898 7.249 1.00 0.00 C ATOM 524 O GLY A 36 -1.943 -4.775 7.182 1.00 0.00 O ATOM 0 H GLY A 36 -4.511 -7.496 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.423 -5.276 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.525 -6.094 9.104 1.00 0.00 H new ATOM 528 N ASP A 37 -1.908 -6.983 6.699 1.00 0.00 N ATOM 529 CA ASP A 37 -0.711 -7.043 5.878 1.00 0.00 C ATOM 530 C ASP A 37 -1.087 -6.457 4.515 1.00 0.00 C ATOM 531 O ASP A 37 -2.061 -6.900 3.899 1.00 0.00 O ATOM 532 CB ASP A 37 -0.311 -8.496 5.587 1.00 0.00 C ATOM 533 CG ASP A 37 0.328 -9.318 6.695 1.00 0.00 C ATOM 534 OD1 ASP A 37 1.027 -8.742 7.557 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.157 -10.560 6.622 1.00 0.00 O ATOM 0 H ASP A 37 -2.327 -7.904 6.827 1.00 0.00 H new ATOM 0 HA ASP A 37 0.096 -6.522 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.206 -9.025 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.380 -8.485 4.744 1.00 0.00 H new ATOM 540 N PHE A 38 -0.314 -5.518 3.992 1.00 0.00 N ATOM 541 CA PHE A 38 -0.527 -4.883 2.702 1.00 0.00 C ATOM 542 C PHE A 38 0.799 -4.693 1.946 1.00 0.00 C ATOM 543 O PHE A 38 1.874 -4.717 2.549 1.00 0.00 O ATOM 544 CB PHE A 38 -1.245 -3.542 2.907 1.00 0.00 C ATOM 545 CG PHE A 38 -0.364 -2.399 3.373 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.141 -2.185 4.745 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.261 -1.567 2.426 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.720 -1.154 5.158 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.098 -0.519 2.845 1.00 0.00 C ATOM 550 CZ PHE A 38 1.330 -0.317 4.210 1.00 0.00 C ATOM 0 H PHE A 38 0.512 -5.164 4.475 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.153 -5.532 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.718 -3.255 1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.043 -3.684 3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.629 -2.810 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.097 -1.735 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.913 -1.005 6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.561 0.129 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.979 0.483 4.535 1.00 0.00 H new ATOM 560 N LEU A 39 0.737 -4.480 0.624 1.00 0.00 N ATOM 561 CA LEU A 39 1.890 -4.256 -0.259 1.00 0.00 C ATOM 562 C LEU A 39 1.470 -3.523 -1.539 1.00 0.00 C ATOM 563 O LEU A 39 0.273 -3.444 -1.843 1.00 0.00 O ATOM 564 CB LEU A 39 2.657 -5.558 -0.582 1.00 0.00 C ATOM 565 CG LEU A 39 1.977 -6.713 -1.353 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.881 -7.389 -0.533 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.483 -6.339 -2.760 1.00 0.00 C ATOM 0 H LEU A 39 -0.151 -4.458 0.122 1.00 0.00 H new ATOM 0 HA LEU A 39 2.584 -3.618 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.543 -5.274 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.004 -5.968 0.367 1.00 0.00 H new ATOM 0 HG LEU A 39 2.773 -7.440 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.433 -8.193 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.311 -7.800 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.115 -6.657 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.020 -7.209 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.751 -5.534 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.327 -6.008 -3.366 1.00 0.00 H new ATOM 579 N VAL A 40 2.436 -3.019 -2.319 1.00 0.00 N ATOM 580 CA VAL A 40 2.198 -2.295 -3.572 1.00 0.00 C ATOM 581 C VAL A 40 2.851 -3.010 -4.747 1.00 0.00 C ATOM 582 O VAL A 40 3.937 -3.580 -4.606 1.00 0.00 O ATOM 583 CB VAL A 40 2.750 -0.851 -3.495 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.662 -0.067 -4.819 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.969 -0.027 -2.475 1.00 0.00 C ATOM 0 H VAL A 40 3.426 -3.106 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 40 1.119 -2.260 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 40 3.797 -0.982 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.070 0.934 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.234 -0.586 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.620 0.007 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.374 0.984 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.919 0.013 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.055 -0.489 -1.492 1.00 0.00 H new ATOM 595 N ARG A 41 2.183 -2.990 -5.910 1.00 0.00 N ATOM 596 CA ARG A 41 2.708 -3.574 -7.138 1.00 0.00 C ATOM 597 C ARG A 41 2.362 -2.634 -8.285 1.00 0.00 C ATOM 598 O ARG A 41 1.473 -1.786 -8.144 1.00 0.00 O ATOM 599 CB ARG A 41 2.210 -5.008 -7.358 1.00 0.00 C ATOM 600 CG ARG A 41 0.740 -5.041 -7.788 1.00 0.00 C ATOM 601 CD ARG A 41 0.056 -6.321 -7.300 1.00 0.00 C ATOM 602 NE ARG A 41 -1.346 -6.094 -6.922 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.762 -5.380 -5.876 1.00 0.00 C ATOM 604 NH1 ARG A 41 -0.888 -4.735 -5.104 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.063 -5.341 -5.616 1.00 0.00 N ATOM 0 H ARG A 41 1.262 -2.566 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 41 3.792 -3.673 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.822 -5.492 -8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.332 -5.580 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.220 -4.171 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.673 -4.980 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.101 -7.076 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.601 -6.718 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.062 -6.519 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.109 -4.785 -5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.217 -4.191 -4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.717 -5.850 -6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.408 -4.802 -4.822 1.00 0.00 H new ATOM 619 N GLU A 42 3.040 -2.791 -9.412 1.00 0.00 N ATOM 620 CA GLU A 42 2.844 -1.983 -10.607 1.00 0.00 C ATOM 621 C GLU A 42 2.001 -2.761 -11.611 1.00 0.00 C ATOM 622 O GLU A 42 2.182 -3.974 -11.747 1.00 0.00 O ATOM 623 CB GLU A 42 4.233 -1.663 -11.166 1.00 0.00 C ATOM 624 CG GLU A 42 4.190 -0.680 -12.341 1.00 0.00 C ATOM 625 CD GLU A 42 5.560 -0.159 -12.777 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.599 -0.556 -12.210 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.601 0.707 -13.677 1.00 0.00 O ATOM 0 H GLU A 42 3.761 -3.503 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 42 2.315 -1.056 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.852 -1.245 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.711 -2.588 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.713 -1.168 -13.191 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.562 0.168 -12.067 1.00 0.00 H new ATOM 634 N SER A 43 1.053 -2.103 -12.283 1.00 0.00 N ATOM 635 CA SER A 43 0.216 -2.752 -13.276 1.00 0.00 C ATOM 636 C SER A 43 1.063 -3.114 -14.517 1.00 0.00 C ATOM 637 O SER A 43 1.861 -2.322 -15.009 1.00 0.00 O ATOM 638 CB SER A 43 -0.944 -1.812 -13.599 1.00 0.00 C ATOM 639 OG SER A 43 -2.086 -2.528 -14.038 1.00 0.00 O ATOM 0 H SER A 43 0.851 -1.112 -12.150 1.00 0.00 H new ATOM 0 HA SER A 43 -0.197 -3.689 -12.902 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.197 -1.228 -12.714 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.637 -1.106 -14.370 1.00 0.00 H new ATOM 0 HG SER A 43 -2.811 -1.899 -14.235 1.00 0.00 H new ATOM 645 N GLN A 44 0.806 -4.298 -15.067 1.00 0.00 N ATOM 646 CA GLN A 44 1.443 -4.944 -16.215 1.00 0.00 C ATOM 647 C GLN A 44 1.641 -4.088 -17.472 1.00 0.00 C ATOM 648 O GLN A 44 2.697 -4.179 -18.109 1.00 0.00 O ATOM 649 CB GLN A 44 0.635 -6.196 -16.612 1.00 0.00 C ATOM 650 CG GLN A 44 0.256 -7.126 -15.450 1.00 0.00 C ATOM 651 CD GLN A 44 -1.062 -6.736 -14.789 1.00 0.00 C ATOM 652 OE1 GLN A 44 -1.105 -5.964 -13.833 1.00 0.00 O ATOM 653 NE2 GLN A 44 -2.178 -7.198 -15.307 1.00 0.00 N ATOM 0 H GLN A 44 0.071 -4.891 -14.681 1.00 0.00 H new ATOM 0 HA GLN A 44 2.448 -5.171 -15.861 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.279 -5.875 -17.112 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.213 -6.766 -17.339 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.184 -8.150 -15.818 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.050 -7.111 -14.704 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.145 -7.839 -16.100 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.077 -6.916 -14.916 1.00 0.00 H new ATOM 662 N GLY A 45 0.625 -3.321 -17.878 1.00 0.00 N ATOM 663 CA GLY A 45 0.671 -2.471 -19.069 1.00 0.00 C ATOM 664 C GLY A 45 0.441 -0.998 -18.772 1.00 0.00 C ATOM 665 O GLY A 45 0.807 -0.157 -19.594 1.00 0.00 O ATOM 0 H GLY A 45 -0.264 -3.273 -17.381 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.641 -2.589 -19.553 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.083 -2.812 -19.779 1.00 0.00 H new ATOM 669 N LYS A 46 -0.228 -0.670 -17.664 1.00 0.00 N ATOM 670 CA LYS A 46 -0.461 0.719 -17.286 1.00 0.00 C ATOM 671 C LYS A 46 0.794 1.240 -16.601 1.00 0.00 C ATOM 672 O LYS A 46 1.814 0.559 -16.515 1.00 0.00 O ATOM 673 CB LYS A 46 -1.708 0.862 -16.380 1.00 0.00 C ATOM 674 CG LYS A 46 -2.971 0.709 -17.221 1.00 0.00 C ATOM 675 CD LYS A 46 -4.246 1.328 -16.626 1.00 0.00 C ATOM 676 CE LYS A 46 -4.072 2.852 -16.581 1.00 0.00 C ATOM 677 NZ LYS A 46 -5.332 3.613 -16.565 1.00 0.00 N ATOM 0 H LYS A 46 -0.617 -1.352 -17.014 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.666 1.313 -18.177 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.688 0.106 -15.595 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.703 1.834 -15.887 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.792 1.159 -18.198 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.148 -0.354 -17.387 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.113 1.063 -17.231 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.425 0.937 -15.624 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.494 3.112 -15.694 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.486 3.163 -17.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.122 4.631 -16.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.879 3.398 -17.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.887 3.349 -15.726 1.00 0.00 H new ATOM 691 N GLN A 47 0.683 2.469 -16.121 1.00 0.00 N ATOM 692 CA GLN A 47 1.673 3.225 -15.391 1.00 0.00 C ATOM 693 C GLN A 47 0.890 3.690 -14.155 1.00 0.00 C ATOM 694 O GLN A 47 0.725 4.890 -13.934 1.00 0.00 O ATOM 695 CB GLN A 47 2.257 4.368 -16.253 1.00 0.00 C ATOM 696 CG GLN A 47 3.050 3.909 -17.497 1.00 0.00 C ATOM 697 CD GLN A 47 2.179 3.286 -18.593 1.00 0.00 C ATOM 698 OE1 GLN A 47 1.065 3.734 -18.858 1.00 0.00 O ATOM 699 NE2 GLN A 47 2.629 2.228 -19.239 1.00 0.00 N ATOM 0 H GLN A 47 -0.177 3.003 -16.246 1.00 0.00 H new ATOM 0 HA GLN A 47 2.563 2.661 -15.110 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.439 5.011 -16.579 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.911 4.976 -15.628 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.583 4.764 -17.912 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.803 3.184 -17.189 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.552 1.853 -19.023 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.054 1.785 -19.955 1.00 0.00 H new ATOM 708 N GLU A 48 0.287 2.745 -13.420 1.00 0.00 N ATOM 709 CA GLU A 48 -0.498 2.989 -12.210 1.00 0.00 C ATOM 710 C GLU A 48 -0.189 1.933 -11.140 1.00 0.00 C ATOM 711 O GLU A 48 -0.047 0.748 -11.458 1.00 0.00 O ATOM 712 CB GLU A 48 -1.987 2.898 -12.566 1.00 0.00 C ATOM 713 CG GLU A 48 -2.886 3.556 -11.509 1.00 0.00 C ATOM 714 CD GLU A 48 -3.081 5.054 -11.742 1.00 0.00 C ATOM 715 OE1 GLU A 48 -2.291 5.872 -11.227 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.116 5.410 -12.352 1.00 0.00 O ATOM 0 H GLU A 48 0.337 1.756 -13.664 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.247 3.975 -11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.156 3.376 -13.531 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.268 1.850 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.859 3.064 -11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.451 3.401 -10.522 1.00 0.00 H new ATOM 723 N TYR A 49 -0.120 2.344 -9.872 1.00 0.00 N ATOM 724 CA TYR A 49 0.147 1.437 -8.763 1.00 0.00 C ATOM 725 C TYR A 49 -1.144 0.873 -8.185 1.00 0.00 C ATOM 726 O TYR A 49 -2.236 1.433 -8.336 1.00 0.00 O ATOM 727 CB TYR A 49 0.990 2.135 -7.688 1.00 0.00 C ATOM 728 CG TYR A 49 2.397 2.414 -8.163 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.184 1.356 -8.654 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.887 3.730 -8.201 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.418 1.622 -9.261 1.00 0.00 C ATOM 732 CE2 TYR A 49 4.141 3.997 -8.780 1.00 0.00 C ATOM 733 CZ TYR A 49 4.899 2.942 -9.336 1.00 0.00 C ATOM 734 OH TYR A 49 6.099 3.151 -9.935 1.00 0.00 O ATOM 0 H TYR A 49 -0.248 3.316 -9.589 1.00 0.00 H new ATOM 0 HA TYR A 49 0.722 0.593 -9.144 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.511 3.072 -7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.026 1.512 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.836 0.338 -8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.301 4.537 -7.786 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.002 0.812 -9.672 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.524 5.007 -8.800 1.00 0.00 H new ATOM 0 HH TYR A 49 6.310 4.108 -9.919 1.00 0.00 H new ATOM 744 N VAL A 50 -0.997 -0.230 -7.456 1.00 0.00 N ATOM 745 CA VAL A 50 -2.091 -0.940 -6.830 1.00 0.00 C ATOM 746 C VAL A 50 -1.665 -1.383 -5.438 1.00 0.00 C ATOM 747 O VAL A 50 -0.538 -1.842 -5.259 1.00 0.00 O ATOM 748 CB VAL A 50 -2.429 -2.182 -7.676 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.745 -2.781 -7.168 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.487 -1.934 -9.186 1.00 0.00 C ATOM 0 H VAL A 50 -0.088 -0.660 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.964 -0.291 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.605 -2.884 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.996 -3.662 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.635 -3.065 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.541 -2.042 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.731 -2.865 -9.698 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.252 -1.189 -9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.519 -1.572 -9.533 1.00 0.00 H new ATOM 760 N LEU A 51 -2.576 -1.297 -4.470 1.00 0.00 N ATOM 761 CA LEU A 51 -2.378 -1.699 -3.088 1.00 0.00 C ATOM 762 C LEU A 51 -3.135 -3.019 -2.903 1.00 0.00 C ATOM 763 O LEU A 51 -4.277 -3.154 -3.348 1.00 0.00 O ATOM 764 CB LEU A 51 -2.930 -0.608 -2.136 1.00 0.00 C ATOM 765 CG LEU A 51 -2.287 -0.518 -0.727 1.00 0.00 C ATOM 766 CD1 LEU A 51 -0.795 -0.211 -0.824 1.00 0.00 C ATOM 767 CD2 LEU A 51 -2.847 0.644 0.106 1.00 0.00 C ATOM 0 H LEU A 51 -3.512 -0.928 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.321 -1.827 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.814 0.359 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.000 -0.776 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.500 -1.483 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.369 -0.153 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.297 -1.002 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.652 0.742 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.362 0.659 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.656 1.586 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.921 0.513 0.237 1.00 0.00 H new ATOM 779 N SER A 52 -2.473 -4.076 -2.439 1.00 0.00 N ATOM 780 CA SER A 52 -3.126 -5.357 -2.160 1.00 0.00 C ATOM 781 C SER A 52 -3.047 -5.534 -0.659 1.00 0.00 C ATOM 782 O SER A 52 -1.980 -5.314 -0.090 1.00 0.00 O ATOM 783 CB SER A 52 -2.453 -6.609 -2.750 1.00 0.00 C ATOM 784 OG SER A 52 -3.446 -7.549 -3.101 1.00 0.00 O ATOM 0 H SER A 52 -1.472 -4.071 -2.246 1.00 0.00 H new ATOM 0 HA SER A 52 -4.120 -5.298 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.864 -6.340 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.765 -7.043 -2.024 1.00 0.00 H new ATOM 0 HG SER A 52 -3.893 -7.261 -3.924 1.00 0.00 H new ATOM 790 N VAL A 53 -4.148 -5.924 -0.041 1.00 0.00 N ATOM 791 CA VAL A 53 -4.222 -6.214 1.384 1.00 0.00 C ATOM 792 C VAL A 53 -5.159 -7.427 1.493 1.00 0.00 C ATOM 793 O VAL A 53 -5.828 -7.781 0.521 1.00 0.00 O ATOM 794 CB VAL A 53 -4.572 -4.994 2.266 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.503 -3.622 1.602 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.907 -5.082 2.940 1.00 0.00 C ATOM 0 H VAL A 53 -5.037 -6.051 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.246 -6.461 1.803 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.762 -5.061 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.771 -2.853 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.490 -3.443 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.199 -3.588 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.072 -4.186 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.690 -5.165 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.931 -5.959 3.586 1.00 0.00 H new ATOM 806 N LEU A 54 -5.186 -8.104 2.632 1.00 0.00 N ATOM 807 CA LEU A 54 -6.033 -9.264 2.906 1.00 0.00 C ATOM 808 C LEU A 54 -6.835 -8.926 4.162 1.00 0.00 C ATOM 809 O LEU A 54 -6.448 -8.074 4.966 1.00 0.00 O ATOM 810 CB LEU A 54 -5.144 -10.524 3.024 1.00 0.00 C ATOM 811 CG LEU A 54 -5.789 -11.826 3.542 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.655 -12.424 2.439 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.747 -12.867 3.971 1.00 0.00 C ATOM 0 H LEU A 54 -4.596 -7.853 3.425 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.740 -9.488 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.725 -10.729 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.309 -10.282 3.681 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.384 -11.571 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.115 -13.345 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.434 -11.713 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.036 -12.642 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.254 -13.764 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.115 -13.121 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.131 -12.457 4.771 1.00 0.00 H new ATOM 825 N TRP A 55 -8.005 -9.536 4.322 1.00 0.00 N ATOM 826 CA TRP A 55 -8.808 -9.265 5.500 1.00 0.00 C ATOM 827 C TRP A 55 -9.684 -10.455 5.837 1.00 0.00 C ATOM 828 O TRP A 55 -9.273 -11.317 6.604 1.00 0.00 O ATOM 829 CB TRP A 55 -9.582 -7.964 5.292 1.00 0.00 C ATOM 830 CG TRP A 55 -10.161 -7.399 6.539 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.445 -7.544 6.927 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.506 -6.588 7.566 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.646 -6.844 8.095 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.508 -6.185 8.494 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.188 -6.132 7.814 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.240 -5.314 9.553 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.909 -5.270 8.888 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.935 -4.844 9.748 1.00 0.00 C ATOM 0 H TRP A 55 -8.408 -10.205 3.666 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.170 -9.120 6.372 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.917 -7.225 4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.386 -8.142 4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.196 -8.118 6.404 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.531 -6.818 8.602 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.385 -6.452 7.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.034 -5.005 10.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.897 -4.932 9.054 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.719 -4.159 10.554 1.00 0.00 H new ATOM 849 N ASP A 56 -10.861 -10.542 5.224 1.00 0.00 N ATOM 850 CA ASP A 56 -11.864 -11.585 5.401 1.00 0.00 C ATOM 851 C ASP A 56 -11.533 -12.866 4.630 1.00 0.00 C ATOM 852 O ASP A 56 -12.439 -13.620 4.281 1.00 0.00 O ATOM 853 CB ASP A 56 -13.266 -11.023 5.083 1.00 0.00 C ATOM 854 CG ASP A 56 -13.425 -10.304 3.743 1.00 0.00 C ATOM 855 OD1 ASP A 56 -12.744 -9.274 3.536 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.354 -10.635 2.966 1.00 0.00 O ATOM 0 H ASP A 56 -11.158 -9.840 4.547 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.859 -11.891 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.979 -11.847 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.544 -10.330 5.877 1.00 0.00 H new ATOM 861 N GLY A 57 -10.257 -13.107 4.317 1.00 0.00 N ATOM 862 CA GLY A 57 -9.782 -14.286 3.598 1.00 0.00 C ATOM 863 C GLY A 57 -9.604 -14.062 2.095 1.00 0.00 C ATOM 864 O GLY A 57 -9.018 -14.915 1.428 1.00 0.00 O ATOM 0 H GLY A 57 -9.505 -12.465 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.830 -14.601 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.486 -15.103 3.753 1.00 0.00 H new ATOM 868 N LEU A 58 -10.040 -12.916 1.568 1.00 0.00 N ATOM 869 CA LEU A 58 -9.942 -12.553 0.159 1.00 0.00 C ATOM 870 C LEU A 58 -8.960 -11.387 0.046 1.00 0.00 C ATOM 871 O LEU A 58 -9.218 -10.357 0.673 1.00 0.00 O ATOM 872 CB LEU A 58 -11.342 -12.159 -0.339 1.00 0.00 C ATOM 873 CG LEU A 58 -11.489 -11.998 -1.865 1.00 0.00 C ATOM 874 CD1 LEU A 58 -12.977 -11.798 -2.161 1.00 0.00 C ATOM 875 CD2 LEU A 58 -10.713 -10.822 -2.470 1.00 0.00 C ATOM 0 H LEU A 58 -10.486 -12.193 2.133 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.581 -13.381 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.053 -12.913 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.625 -11.220 0.136 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.069 -12.895 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.122 -11.680 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.537 -12.666 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.334 -10.906 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.879 -10.792 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.059 -9.890 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.649 -10.947 -2.271 1.00 0.00 H new ATOM 887 N PRO A 59 -7.842 -11.503 -0.696 1.00 0.00 N ATOM 888 CA PRO A 59 -6.892 -10.409 -0.846 1.00 0.00 C ATOM 889 C PRO A 59 -7.536 -9.280 -1.676 1.00 0.00 C ATOM 890 O PRO A 59 -7.548 -9.318 -2.909 1.00 0.00 O ATOM 891 CB PRO A 59 -5.634 -11.026 -1.463 1.00 0.00 C ATOM 892 CG PRO A 59 -6.141 -12.262 -2.203 1.00 0.00 C ATOM 893 CD PRO A 59 -7.416 -12.667 -1.461 1.00 0.00 C ATOM 0 HA PRO A 59 -6.613 -9.935 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.142 -10.330 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.905 -11.292 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.347 -12.039 -3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.402 -13.063 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.191 -12.974 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.228 -13.515 -0.803 1.00 0.00 H new ATOM 901 N ARG A 60 -8.156 -8.312 -1.002 1.00 0.00 N ATOM 902 CA ARG A 60 -8.842 -7.156 -1.571 1.00 0.00 C ATOM 903 C ARG A 60 -7.837 -6.284 -2.329 1.00 0.00 C ATOM 904 O ARG A 60 -6.864 -5.803 -1.742 1.00 0.00 O ATOM 905 CB ARG A 60 -9.518 -6.349 -0.442 1.00 0.00 C ATOM 906 CG ARG A 60 -10.515 -7.097 0.464 1.00 0.00 C ATOM 907 CD ARG A 60 -11.784 -7.583 -0.254 1.00 0.00 C ATOM 908 NE ARG A 60 -12.817 -6.539 -0.394 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.511 -6.214 -1.491 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.103 -6.550 -2.710 1.00 0.00 N ATOM 911 NH2 ARG A 60 -14.642 -5.526 -1.389 1.00 0.00 N ATOM 0 H ARG A 60 -8.194 -8.316 0.017 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.609 -7.491 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.734 -5.933 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.041 -5.507 -0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.011 -7.956 0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.805 -6.440 1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.514 -7.951 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.203 -8.426 0.296 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.027 -6.000 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.235 -7.072 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.657 -6.286 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.986 -5.243 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.167 -5.281 -2.228 1.00 0.00 H new ATOM 925 N HIS A 61 -8.039 -6.082 -3.633 1.00 0.00 N ATOM 926 CA HIS A 61 -7.158 -5.250 -4.440 1.00 0.00 C ATOM 927 C HIS A 61 -7.764 -3.860 -4.563 1.00 0.00 C ATOM 928 O HIS A 61 -8.889 -3.716 -5.055 1.00 0.00 O ATOM 929 CB HIS A 61 -7.011 -5.831 -5.842 1.00 0.00 C ATOM 930 CG HIS A 61 -6.428 -7.210 -5.876 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.297 -7.657 -5.233 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.932 -8.240 -6.610 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.088 -8.924 -5.612 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.051 -9.320 -6.469 1.00 0.00 N ATOM 0 H HIS A 61 -8.816 -6.491 -4.153 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.181 -5.208 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.991 -5.851 -6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.381 -5.167 -6.434 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.841 -8.227 -7.192 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.266 -9.540 -5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.124 -10.229 -6.926 1.00 0.00 H new ATOM 942 N PHE A 62 -7.007 -2.832 -4.197 1.00 0.00 N ATOM 943 CA PHE A 62 -7.435 -1.453 -4.264 1.00 0.00 C ATOM 944 C PHE A 62 -6.537 -0.690 -5.243 1.00 0.00 C ATOM 945 O PHE A 62 -5.324 -0.582 -5.060 1.00 0.00 O ATOM 946 CB PHE A 62 -7.405 -0.850 -2.865 1.00 0.00 C ATOM 947 CG PHE A 62 -8.300 -1.528 -1.833 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.831 -2.637 -1.101 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.578 -1.007 -1.541 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.602 -3.182 -0.065 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.358 -1.571 -0.514 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.874 -2.666 0.222 1.00 0.00 C ATOM 0 H PHE A 62 -6.059 -2.944 -3.838 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.458 -1.385 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.378 -0.875 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.693 0.199 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.871 -3.070 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.960 -0.171 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.214 -4.005 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.332 -1.161 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.477 -3.107 1.002 1.00 0.00 H new ATOM 962 N ILE A 63 -7.131 -0.236 -6.343 1.00 0.00 N ATOM 963 CA ILE A 63 -6.509 0.532 -7.404 1.00 0.00 C ATOM 964 C ILE A 63 -6.244 1.898 -6.787 1.00 0.00 C ATOM 965 O ILE A 63 -7.196 2.533 -6.339 1.00 0.00 O ATOM 966 CB ILE A 63 -7.498 0.592 -8.591 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.558 -0.771 -9.313 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.132 1.704 -9.589 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.338 -1.887 -8.606 1.00 0.00 C ATOM 0 H ILE A 63 -8.120 -0.408 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.580 0.110 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.481 0.825 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.000 -0.616 -10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.537 -1.117 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.853 1.711 -10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.150 2.669 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.134 1.522 -9.987 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.307 -2.793 -9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.888 -2.085 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.374 -1.577 -8.470 1.00 0.00 H new ATOM 981 N ILE A 64 -4.992 2.336 -6.706 1.00 0.00 N ATOM 982 CA ILE A 64 -4.671 3.625 -6.113 1.00 0.00 C ATOM 983 C ILE A 64 -5.161 4.717 -7.073 1.00 0.00 C ATOM 984 O ILE A 64 -4.596 4.878 -8.164 1.00 0.00 O ATOM 985 CB ILE A 64 -3.162 3.694 -5.775 1.00 0.00 C ATOM 986 CG1 ILE A 64 -2.757 2.536 -4.825 1.00 0.00 C ATOM 987 CG2 ILE A 64 -2.843 5.047 -5.126 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.256 2.451 -4.522 1.00 0.00 C ATOM 0 H ILE A 64 -4.183 1.815 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.179 3.777 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.591 3.591 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.298 2.649 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.079 1.593 -5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.780 5.095 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.097 5.851 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.425 5.158 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.067 1.613 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.705 2.303 -5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.927 3.376 -4.048 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.245 5.417 -6.714 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.787 6.489 -7.541 1.00 0.00 C ATOM 1002 C GLN A 65 -5.759 7.623 -7.607 1.00 0.00 C ATOM 1003 O GLN A 65 -4.999 7.826 -6.660 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.129 6.986 -6.988 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.255 5.942 -7.078 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.384 4.987 -5.893 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -8.518 4.859 -5.039 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -10.494 4.280 -5.805 1.00 0.00 N ATOM 0 H GLN A 65 -6.762 5.254 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.978 6.115 -8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.998 7.278 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.429 7.880 -7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.202 6.468 -7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.102 5.350 -7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.221 4.381 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.626 3.632 -5.028 1.00 0.00 H new ATOM 1017 N SER A 66 -5.749 8.362 -8.715 1.00 0.00 N ATOM 1018 CA SER A 66 -4.846 9.467 -8.981 1.00 0.00 C ATOM 1019 C SER A 66 -5.609 10.441 -9.875 1.00 0.00 C ATOM 1020 O SER A 66 -5.916 10.109 -11.028 1.00 0.00 O ATOM 1021 CB SER A 66 -3.591 8.896 -9.659 1.00 0.00 C ATOM 1022 OG SER A 66 -2.660 9.908 -9.985 1.00 0.00 O ATOM 0 H SER A 66 -6.401 8.195 -9.482 1.00 0.00 H new ATOM 0 HA SER A 66 -4.521 9.993 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.120 8.169 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.879 8.362 -10.565 1.00 0.00 H new ATOM 0 HG SER A 66 -1.880 9.837 -9.396 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.953 11.628 -9.363 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.700 12.620 -10.137 1.00 0.00 C ATOM 1030 C LEU A 67 -6.038 13.992 -10.075 1.00 0.00 C ATOM 1031 O LEU A 67 -5.285 14.321 -10.986 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.183 12.601 -9.721 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.114 13.431 -10.629 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.079 12.982 -12.095 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -10.552 13.280 -10.119 1.00 0.00 C ATOM 0 H LEU A 67 -5.724 11.923 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.677 12.356 -11.194 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.531 11.568 -9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.265 12.974 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.768 14.464 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.754 13.604 -12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.065 13.082 -12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.393 11.940 -12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.225 13.861 -10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.841 12.230 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.614 13.642 -9.093 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.252 14.764 -9.007 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.696 16.112 -8.811 1.00 0.00 C ATOM 1049 C ASP A 68 -4.209 16.095 -8.427 1.00 0.00 C ATOM 1050 O ASP A 68 -3.777 16.860 -7.577 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.526 16.845 -7.739 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.320 18.361 -7.803 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.512 18.923 -8.909 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -6.042 18.990 -6.762 1.00 0.00 O ATOM 0 H ASP A 68 -6.836 14.461 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.757 16.641 -9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.583 16.615 -7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.247 16.481 -6.750 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.411 15.185 -8.999 1.00 0.00 N ATOM 1060 CA ASN A 69 -1.976 15.009 -8.723 1.00 0.00 C ATOM 1061 C ASN A 69 -1.746 14.485 -7.296 1.00 0.00 C ATOM 1062 O ASN A 69 -0.625 14.548 -6.777 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.145 16.281 -8.995 1.00 0.00 C ATOM 1064 CG ASN A 69 -1.362 16.834 -10.389 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -1.973 17.880 -10.581 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -0.890 16.147 -11.412 1.00 0.00 N ATOM 0 H ASN A 69 -3.759 14.524 -9.694 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.618 14.257 -9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.405 17.044 -8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.087 16.055 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.033 16.486 -12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.382 15.277 -11.251 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.812 14.015 -6.639 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.846 13.459 -5.295 1.00 0.00 C ATOM 1075 C LEU A 70 -3.470 12.068 -5.387 1.00 0.00 C ATOM 1076 O LEU A 70 -4.294 11.814 -6.273 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.691 14.320 -4.328 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.982 15.541 -3.715 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.896 16.732 -4.665 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.735 16.017 -2.475 1.00 0.00 C ATOM 0 H LEU A 70 -3.737 14.016 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.829 13.428 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.575 14.669 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.040 13.682 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.972 15.205 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.385 17.557 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.341 16.446 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.901 17.045 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.225 16.881 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.752 16.296 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.766 15.215 -1.738 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.127 11.213 -4.423 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.593 9.834 -4.308 1.00 0.00 C ATOM 1094 C TYR A 71 -4.434 9.687 -3.043 1.00 0.00 C ATOM 1095 O TYR A 71 -4.067 10.266 -2.016 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.385 8.892 -4.228 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.374 9.089 -5.337 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.595 8.514 -6.599 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.224 9.870 -5.115 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.676 8.718 -7.641 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.688 10.091 -6.159 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.464 9.520 -7.429 1.00 0.00 C ATOM 1103 OH TYR A 71 1.318 9.789 -8.453 1.00 0.00 O ATOM 0 H TYR A 71 -2.490 11.475 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.196 9.580 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.888 9.036 -3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.739 7.861 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.476 7.912 -6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.043 10.299 -4.141 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.843 8.260 -8.605 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.564 10.700 -5.989 1.00 0.00 H new ATOM 0 HH TYR A 71 2.048 10.357 -8.129 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.536 8.928 -3.101 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.455 8.669 -1.983 1.00 0.00 C ATOM 1115 C ARG A 72 -7.545 7.691 -2.384 1.00 0.00 C ATOM 1116 O ARG A 72 -7.761 7.476 -3.574 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.183 9.953 -1.550 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.855 10.723 -2.699 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.793 11.767 -2.108 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.208 12.757 -3.110 1.00 0.00 N ATOM 1121 CZ ARG A 72 -9.525 14.022 -2.819 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -9.701 14.384 -1.553 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -9.636 14.916 -3.795 1.00 0.00 N ATOM 0 H ARG A 72 -5.824 8.459 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.840 8.271 -1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.941 9.694 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.469 10.612 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.101 11.203 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.409 10.037 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.674 11.273 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.297 12.274 -1.280 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.257 12.462 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.594 13.697 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.943 15.349 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.479 14.636 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.878 15.882 -3.576 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.292 7.194 -1.404 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.406 6.274 -1.568 1.00 0.00 C ATOM 1139 C LEU A 73 -10.660 6.866 -0.923 1.00 0.00 C ATOM 1140 O LEU A 73 -11.752 6.683 -1.469 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.090 4.926 -0.904 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.690 3.830 -1.890 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -7.240 3.965 -2.373 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -8.869 2.487 -1.192 1.00 0.00 C ATOM 0 H LEU A 73 -8.127 7.435 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.573 6.118 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.283 5.066 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.964 4.595 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.323 3.915 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.012 3.159 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.111 4.925 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.565 3.907 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.590 1.683 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.234 2.449 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.911 2.367 -0.896 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.519 7.564 0.210 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.603 8.181 0.962 1.00 0.00 C ATOM 1158 C GLU A 74 -11.021 9.295 1.853 1.00 0.00 C ATOM 1159 O GLU A 74 -10.118 9.023 2.650 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.259 7.061 1.798 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.509 7.482 2.575 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.727 7.672 1.670 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -14.813 8.691 0.949 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.643 6.807 1.713 1.00 0.00 O ATOM 0 H GLU A 74 -9.607 7.717 0.640 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.351 8.638 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.523 6.239 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.523 6.676 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.735 6.728 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.306 8.412 3.106 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.519 10.531 1.749 1.00 0.00 N ATOM 1172 CA GLY A 75 -11.056 11.673 2.539 1.00 0.00 C ATOM 1173 C GLY A 75 -9.964 12.436 1.791 1.00 0.00 C ATOM 1174 O GLY A 75 -10.000 12.513 0.560 1.00 0.00 O ATOM 0 H GLY A 75 -12.270 10.769 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.893 12.339 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.673 11.327 3.499 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.042 13.076 2.513 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.933 13.814 1.903 1.00 0.00 C ATOM 1180 C GLU A 76 -7.003 12.848 1.170 1.00 0.00 C ATOM 1181 O GLU A 76 -7.119 11.625 1.284 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.106 14.563 2.970 1.00 0.00 C ATOM 1183 CG GLU A 76 -7.608 15.984 3.225 1.00 0.00 C ATOM 1184 CD GLU A 76 -7.543 16.911 2.008 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -6.816 16.637 1.023 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -8.278 17.922 2.024 1.00 0.00 O ATOM 0 H GLU A 76 -9.042 13.098 3.533 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.362 14.535 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.133 14.001 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.064 14.603 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.640 15.934 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.021 16.423 4.032 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.101 13.412 0.373 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.109 12.677 -0.382 1.00 0.00 C ATOM 1195 C GLY A 77 -3.753 13.272 -0.097 1.00 0.00 C ATOM 1196 O GLY A 77 -3.636 14.193 0.709 1.00 0.00 O ATOM 0 H GLY A 77 -6.044 14.421 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.126 11.623 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.329 12.729 -1.448 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.717 12.759 -0.748 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.369 13.269 -0.544 1.00 0.00 C ATOM 1202 C PHE A 78 -0.633 13.376 -1.868 1.00 0.00 C ATOM 1203 O PHE A 78 -0.977 12.652 -2.808 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.614 12.348 0.413 1.00 0.00 C ATOM 1205 CG PHE A 78 -1.006 12.543 1.860 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.164 11.923 2.357 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.255 13.390 2.697 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.575 12.145 3.677 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.650 13.590 4.028 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.816 12.976 4.515 1.00 0.00 C ATOM 0 H PHE A 78 -2.784 11.994 -1.419 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.429 14.266 -0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.797 11.311 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.457 12.523 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.741 11.271 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.625 13.886 2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.475 11.677 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.058 14.216 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.128 13.144 5.535 1.00 0.00 H new ATOM 1220 N PRO A 79 0.420 14.213 -1.930 1.00 0.00 N ATOM 1221 CA PRO A 79 1.216 14.412 -3.133 1.00 0.00 C ATOM 1222 C PRO A 79 1.945 13.149 -3.583 1.00 0.00 C ATOM 1223 O PRO A 79 2.414 13.095 -4.724 1.00 0.00 O ATOM 1224 CB PRO A 79 2.223 15.513 -2.775 1.00 0.00 C ATOM 1225 CG PRO A 79 2.328 15.450 -1.259 1.00 0.00 C ATOM 1226 CD PRO A 79 0.899 15.098 -0.872 1.00 0.00 C ATOM 0 HA PRO A 79 0.573 14.682 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.189 15.337 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.878 16.491 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.041 14.695 -0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.647 16.400 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.865 14.604 0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.280 15.992 -0.797 1.00 0.00 H new ATOM 1234 N SER A 80 2.087 12.144 -2.716 1.00 0.00 N ATOM 1235 CA SER A 80 2.774 10.919 -3.078 1.00 0.00 C ATOM 1236 C SER A 80 2.094 9.702 -2.471 1.00 0.00 C ATOM 1237 O SER A 80 1.298 9.802 -1.534 1.00 0.00 O ATOM 1238 CB SER A 80 4.253 11.023 -2.690 1.00 0.00 C ATOM 1239 OG SER A 80 5.039 10.516 -3.747 1.00 0.00 O ATOM 0 H SER A 80 1.732 12.162 -1.760 1.00 0.00 H new ATOM 0 HA SER A 80 2.721 10.785 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.518 12.061 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.443 10.461 -1.775 1.00 0.00 H new ATOM 0 HG SER A 80 5.988 10.580 -3.509 1.00 0.00 H new ATOM 1245 N ILE A 81 2.425 8.546 -3.039 1.00 0.00 N ATOM 1246 CA ILE A 81 1.909 7.253 -2.650 1.00 0.00 C ATOM 1247 C ILE A 81 2.274 6.933 -1.186 1.00 0.00 C ATOM 1248 O ILE A 81 1.352 6.599 -0.438 1.00 0.00 O ATOM 1249 CB ILE A 81 2.389 6.163 -3.638 1.00 0.00 C ATOM 1250 CG1 ILE A 81 2.023 6.470 -5.111 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.886 4.764 -3.224 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.581 6.152 -5.496 1.00 0.00 C ATOM 0 H ILE A 81 3.087 8.491 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 81 0.820 7.274 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 81 3.478 6.168 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.210 7.526 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.690 5.904 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.242 4.023 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.264 4.520 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.796 4.759 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.421 6.401 -6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.389 5.090 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.099 6.738 -4.877 1.00 0.00 H new ATOM 1264 N PRO A 82 3.553 7.044 -0.746 1.00 0.00 N ATOM 1265 CA PRO A 82 3.926 6.721 0.632 1.00 0.00 C ATOM 1266 C PRO A 82 3.281 7.642 1.658 1.00 0.00 C ATOM 1267 O PRO A 82 2.853 7.162 2.704 1.00 0.00 O ATOM 1268 CB PRO A 82 5.457 6.791 0.696 1.00 0.00 C ATOM 1269 CG PRO A 82 5.835 7.707 -0.453 1.00 0.00 C ATOM 1270 CD PRO A 82 4.753 7.429 -1.490 1.00 0.00 C ATOM 0 HA PRO A 82 3.561 5.727 0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.798 7.189 1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.906 5.804 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.841 8.754 -0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.829 7.481 -0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.564 8.312 -2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.061 6.633 -2.168 1.00 0.00 H new ATOM 1278 N LEU A 83 3.176 8.937 1.346 1.00 0.00 N ATOM 1279 CA LEU A 83 2.582 9.952 2.212 1.00 0.00 C ATOM 1280 C LEU A 83 1.173 9.519 2.632 1.00 0.00 C ATOM 1281 O LEU A 83 0.825 9.574 3.807 1.00 0.00 O ATOM 1282 CB LEU A 83 2.580 11.312 1.483 1.00 0.00 C ATOM 1283 CG LEU A 83 3.824 12.213 1.616 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.019 12.681 3.060 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.113 11.560 1.104 1.00 0.00 C ATOM 0 H LEU A 83 3.512 9.315 0.460 1.00 0.00 H new ATOM 0 HA LEU A 83 3.173 10.062 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.420 11.121 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.719 11.879 1.838 1.00 0.00 H new ATOM 0 HG LEU A 83 3.627 13.074 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.904 13.314 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.145 13.248 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.147 11.815 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.946 12.252 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.309 10.649 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.002 11.314 0.048 1.00 0.00 H new ATOM 1297 N LEU A 84 0.372 9.058 1.668 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.988 8.594 1.911 1.00 0.00 C ATOM 1299 C LEU A 84 -0.955 7.358 2.799 1.00 0.00 C ATOM 1300 O LEU A 84 -1.580 7.361 3.853 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.660 8.349 0.552 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.138 7.907 0.469 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.385 6.423 0.762 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -4.074 8.818 1.266 1.00 0.00 C ATOM 0 H LEU A 84 0.656 8.998 0.690 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.578 9.339 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.569 9.272 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.070 7.593 0.035 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.391 8.026 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.450 6.208 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.836 5.814 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.045 6.190 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.099 8.459 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.782 8.810 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.008 9.835 0.879 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.232 6.309 2.384 1.00 0.00 N ATOM 1317 CA ILE A 85 -0.120 5.054 3.130 1.00 0.00 C ATOM 1318 C ILE A 85 0.215 5.336 4.596 1.00 0.00 C ATOM 1319 O ILE A 85 -0.419 4.762 5.476 1.00 0.00 O ATOM 1320 CB ILE A 85 0.887 4.106 2.413 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.187 3.114 1.457 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.761 3.252 3.349 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.803 3.761 0.492 1.00 0.00 C ATOM 0 H ILE A 85 0.296 6.311 1.511 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.076 4.530 3.144 1.00 0.00 H new ATOM 0 HB ILE A 85 1.523 4.809 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.947 2.587 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.339 2.366 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.427 2.627 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.352 3.905 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.123 2.618 3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.248 2.994 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.587 4.264 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.282 4.488 -0.131 1.00 0.00 H new ATOM 1335 N ASP A 86 1.181 6.217 4.852 1.00 0.00 N ATOM 1336 CA ASP A 86 1.622 6.596 6.187 1.00 0.00 C ATOM 1337 C ASP A 86 0.530 7.306 6.975 1.00 0.00 C ATOM 1338 O ASP A 86 0.351 7.014 8.160 1.00 0.00 O ATOM 1339 CB ASP A 86 2.831 7.514 6.056 1.00 0.00 C ATOM 1340 CG ASP A 86 3.324 8.020 7.406 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.791 7.186 8.218 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.327 9.254 7.628 1.00 0.00 O ATOM 0 H ASP A 86 1.691 6.699 4.112 1.00 0.00 H new ATOM 0 HA ASP A 86 1.877 5.687 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.638 6.979 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.572 8.364 5.425 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.213 8.225 6.342 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.268 8.931 7.056 1.00 0.00 C ATOM 1349 C HIS A 87 -2.329 7.942 7.538 1.00 0.00 C ATOM 1350 O HIS A 87 -2.748 8.003 8.697 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.880 10.015 6.166 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.030 10.736 6.828 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -2.935 11.638 7.866 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.359 10.576 6.536 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.182 12.011 8.199 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.081 11.408 7.400 1.00 0.00 N ATOM 0 H HIS A 87 -0.103 8.487 5.362 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.840 9.421 7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.109 10.738 5.900 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.227 9.563 5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.773 9.927 5.779 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.428 12.698 8.995 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.093 11.533 7.420 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.743 7.029 6.655 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.751 5.999 6.907 1.00 0.00 C ATOM 1366 C LEU A 88 -3.274 5.070 8.000 1.00 0.00 C ATOM 1367 O LEU A 88 -4.012 4.777 8.940 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.012 5.180 5.629 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.134 5.804 4.796 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.690 7.109 4.169 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.579 4.828 3.699 1.00 0.00 C ATOM 0 H LEU A 88 -2.369 6.987 5.707 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.675 6.488 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.100 5.127 5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.279 4.157 5.896 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.972 6.011 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.508 7.528 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.407 7.812 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.834 6.928 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.378 5.281 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.734 4.601 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.942 3.908 4.156 1.00 0.00 H new ATOM 1383 N LEU A 89 -2.045 4.589 7.872 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.431 3.699 8.844 1.00 0.00 C ATOM 1385 C LEU A 89 -1.463 4.338 10.230 1.00 0.00 C ATOM 1386 O LEU A 89 -1.622 3.620 11.212 1.00 0.00 O ATOM 1387 CB LEU A 89 0.007 3.428 8.409 1.00 0.00 C ATOM 1388 CG LEU A 89 0.200 2.094 7.674 1.00 0.00 C ATOM 1389 CD1 LEU A 89 1.612 2.050 7.096 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.035 0.881 8.597 1.00 0.00 C ATOM 0 H LEU A 89 -1.440 4.809 7.081 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.980 2.759 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.338 4.239 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.650 3.442 9.289 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.564 2.040 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.761 1.106 6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.746 2.878 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.339 2.134 7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.182 -0.035 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.773 0.930 9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.967 0.884 9.026 1.00 0.00 H new ATOM 1402 N SER A 90 -1.356 5.661 10.330 1.00 0.00 N ATOM 1403 CA SER A 90 -1.399 6.353 11.600 1.00 0.00 C ATOM 1404 C SER A 90 -2.856 6.538 12.069 1.00 0.00 C ATOM 1405 O SER A 90 -3.154 6.209 13.217 1.00 0.00 O ATOM 1406 CB SER A 90 -0.582 7.638 11.462 1.00 0.00 C ATOM 1407 OG SER A 90 -0.618 8.411 12.643 1.00 0.00 O ATOM 0 H SER A 90 -1.237 6.278 9.526 1.00 0.00 H new ATOM 0 HA SER A 90 -0.940 5.772 12.400 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.452 7.388 11.223 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.968 8.227 10.630 1.00 0.00 H new ATOM 0 HG SER A 90 -0.084 9.223 12.519 1.00 0.00 H new ATOM 1413 N THR A 91 -3.783 7.004 11.217 1.00 0.00 N ATOM 1414 CA THR A 91 -5.185 7.203 11.612 1.00 0.00 C ATOM 1415 C THR A 91 -5.904 5.885 11.919 1.00 0.00 C ATOM 1416 O THR A 91 -6.884 5.864 12.675 1.00 0.00 O ATOM 1417 CB THR A 91 -5.957 7.986 10.539 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.891 7.352 9.274 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.451 9.420 10.381 1.00 0.00 C ATOM 0 H THR A 91 -3.585 7.250 10.247 1.00 0.00 H new ATOM 0 HA THR A 91 -5.163 7.786 12.533 1.00 0.00 H new ATOM 0 HB THR A 91 -6.989 8.009 10.888 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.254 7.951 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.031 9.928 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.561 9.951 11.327 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.400 9.405 10.093 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.400 4.773 11.370 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.931 3.427 11.545 1.00 0.00 C ATOM 1429 C GLN A 92 -7.391 3.314 11.076 1.00 0.00 C ATOM 1430 O GLN A 92 -8.143 2.460 11.546 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.653 2.933 12.988 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.241 2.378 13.211 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.959 1.175 12.316 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.491 0.086 12.526 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.191 1.387 11.265 1.00 0.00 N ATOM 0 H GLN A 92 -4.577 4.794 10.768 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.403 2.736 10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.818 3.760 13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.378 2.158 13.239 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.507 3.159 13.012 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.124 2.090 14.256 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.765 2.303 11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.023 0.635 10.596 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.779 4.186 10.145 1.00 0.00 N ATOM 1445 CA GLN A 93 -9.101 4.256 9.546 1.00 0.00 C ATOM 1446 C GLN A 93 -9.376 3.080 8.597 1.00 0.00 C ATOM 1447 O GLN A 93 -8.435 2.377 8.200 1.00 0.00 O ATOM 1448 CB GLN A 93 -9.240 5.607 8.804 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.496 5.949 7.501 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.618 4.856 6.939 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.952 4.202 5.955 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -6.467 4.642 7.543 1.00 0.00 N ATOM 0 H GLN A 93 -7.145 4.894 9.774 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.844 4.187 10.340 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.302 5.730 8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.968 6.380 9.523 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.232 6.222 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.879 6.830 7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.208 5.197 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.834 3.922 7.194 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.637 2.853 8.195 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.956 1.803 7.265 1.00 0.00 C ATOM 1463 C PRO A 94 -10.771 2.333 5.841 1.00 0.00 C ATOM 1464 O PRO A 94 -11.230 3.415 5.471 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.414 1.438 7.517 1.00 0.00 C ATOM 1466 CG PRO A 94 -13.025 2.677 8.160 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.849 3.561 8.577 1.00 0.00 C ATOM 0 HA PRO A 94 -10.315 0.930 7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.924 1.184 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.496 0.571 8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.676 3.199 7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.635 2.408 9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.901 4.532 8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.866 3.747 9.651 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.171 1.488 5.017 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.884 1.701 3.602 1.00 0.00 C ATOM 1477 C LEU A 95 -11.141 2.156 2.867 1.00 0.00 C ATOM 1478 O LEU A 95 -11.062 3.044 2.020 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.370 0.390 2.973 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.837 0.288 2.991 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.408 -1.168 2.828 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.244 1.095 1.835 1.00 0.00 C ATOM 0 H LEU A 95 -9.850 0.575 5.337 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.122 2.475 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.793 -0.458 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.723 0.322 1.944 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.479 0.680 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.320 -1.230 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.816 -1.761 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.781 -1.553 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.157 1.016 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.618 0.704 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.534 2.141 1.935 1.00 0.00 H new ATOM 1494 N THR A 96 -12.283 1.509 3.130 1.00 0.00 N ATOM 1495 CA THR A 96 -13.554 1.867 2.501 1.00 0.00 C ATOM 1496 C THR A 96 -14.712 1.483 3.419 1.00 0.00 C ATOM 1497 O THR A 96 -14.607 0.486 4.129 1.00 0.00 O ATOM 1498 CB THR A 96 -13.724 1.132 1.152 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.428 -0.256 1.262 1.00 0.00 O ATOM 1500 CG2 THR A 96 -12.879 1.696 0.008 1.00 0.00 C ATOM 0 H THR A 96 -12.349 0.727 3.782 1.00 0.00 H new ATOM 0 HA THR A 96 -13.555 2.943 2.326 1.00 0.00 H new ATOM 0 HB THR A 96 -14.774 1.290 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.387 -0.508 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.062 1.119 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.149 2.738 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.823 1.633 0.271 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.861 2.166 3.350 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.991 1.784 4.204 1.00 0.00 C ATOM 1510 C LYS A 97 -17.503 0.390 3.835 1.00 0.00 C ATOM 1511 O LYS A 97 -18.002 -0.329 4.696 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.072 2.876 4.273 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.851 3.228 3.003 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.891 2.175 2.608 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.817 2.689 1.502 1.00 0.00 C ATOM 1516 NZ LYS A 97 -20.083 2.928 0.242 1.00 0.00 N ATOM 0 H LYS A 97 -16.031 2.960 2.733 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.638 1.706 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.796 2.576 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.596 3.789 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.353 4.185 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.148 3.358 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.385 1.271 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.483 1.901 3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.613 1.965 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.293 3.614 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.745 3.259 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.351 3.650 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.635 2.043 -0.072 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.324 -0.024 2.574 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.757 -1.316 2.043 1.00 0.00 C ATOM 1532 C LYS A 98 -16.824 -2.464 2.434 1.00 0.00 C ATOM 1533 O LYS A 98 -17.211 -3.632 2.366 1.00 0.00 O ATOM 1534 CB LYS A 98 -17.836 -1.160 0.515 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.650 -2.227 -0.220 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.125 -2.246 0.213 1.00 0.00 C ATOM 1537 CE LYS A 98 -21.077 -2.210 -0.986 1.00 0.00 C ATOM 1538 NZ LYS A 98 -20.983 -3.410 -1.845 1.00 0.00 N ATOM 0 H LYS A 98 -16.858 0.553 1.874 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.725 -1.582 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.264 -0.183 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.822 -1.163 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.592 -2.048 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.208 -3.206 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.318 -3.143 0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.324 -1.391 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -22.101 -2.110 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.862 -1.325 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -21.652 -3.323 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.015 -3.496 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -21.216 -4.256 -1.286 1.00 0.00 H new ATOM 1552 N SER A 99 -15.583 -2.169 2.801 1.00 0.00 N ATOM 1553 CA SER A 99 -14.577 -3.128 3.213 1.00 0.00 C ATOM 1554 C SER A 99 -13.798 -2.366 4.267 1.00 0.00 C ATOM 1555 O SER A 99 -12.854 -1.645 3.924 1.00 0.00 O ATOM 1556 CB SER A 99 -13.710 -3.580 2.019 1.00 0.00 C ATOM 1557 OG SER A 99 -13.785 -4.979 1.815 1.00 0.00 O ATOM 0 H SER A 99 -15.239 -1.209 2.819 1.00 0.00 H new ATOM 0 HA SER A 99 -14.986 -4.061 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.036 -3.063 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.673 -3.293 2.193 1.00 0.00 H new ATOM 0 HG SER A 99 -13.083 -5.423 2.334 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.222 -2.508 5.526 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.644 -1.867 6.700 1.00 0.00 C ATOM 1565 C GLY A 100 -12.283 -2.432 7.085 1.00 0.00 C ATOM 1566 O GLY A 100 -12.006 -2.653 8.264 1.00 0.00 O ATOM 0 H GLY A 100 -15.017 -3.103 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.546 -0.798 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.328 -1.980 7.541 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.488 -2.752 6.073 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.152 -3.280 6.117 1.00 0.00 C ATOM 1572 C VAL A 101 -9.258 -2.130 6.573 1.00 0.00 C ATOM 1573 O VAL A 101 -9.450 -0.999 6.122 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.833 -3.722 4.679 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.434 -4.300 4.557 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.833 -4.756 4.135 1.00 0.00 C ATOM 0 H VAL A 101 -11.804 -2.632 5.111 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.014 -4.124 6.793 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.909 -2.812 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.252 -4.599 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.702 -3.547 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.342 -5.169 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.556 -5.029 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.817 -5.644 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.835 -4.328 4.136 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.266 -2.402 7.411 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.354 -1.392 7.925 1.00 0.00 C ATOM 1588 C VAL A 102 -5.927 -1.869 7.668 1.00 0.00 C ATOM 1589 O VAL A 102 -5.649 -3.067 7.761 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.631 -1.196 9.431 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.746 -0.110 10.050 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.103 -0.866 9.748 1.00 0.00 C ATOM 0 H VAL A 102 -8.071 -3.342 7.756 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.494 -0.431 7.429 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.391 -2.162 9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.980 -0.011 11.110 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.698 -0.385 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.930 0.840 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.224 -0.742 10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.386 0.057 9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.741 -1.680 9.403 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.045 -0.955 7.264 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.635 -1.236 7.015 1.00 0.00 C ATOM 1604 C LEU A 103 -3.045 -1.347 8.407 1.00 0.00 C ATOM 1605 O LEU A 103 -3.075 -0.356 9.135 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.894 -0.084 6.307 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.079 0.049 4.790 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.524 0.324 4.380 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.205 1.203 4.279 1.00 0.00 C ATOM 0 H LEU A 103 -5.297 0.019 7.098 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.537 -2.114 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.209 0.852 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.828 -0.196 6.508 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.789 -0.906 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.585 0.407 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.160 -0.494 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.860 1.256 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.330 1.305 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.504 2.130 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.159 0.995 4.505 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.560 -2.514 8.806 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.960 -2.686 10.123 1.00 0.00 C ATOM 1623 C HIS A 104 -0.445 -2.786 9.981 1.00 0.00 C ATOM 1624 O HIS A 104 0.271 -2.253 10.825 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.563 -3.890 10.859 1.00 0.00 C ATOM 1626 CG HIS A 104 -4.033 -3.760 11.215 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.627 -2.670 11.821 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -5.009 -4.716 11.062 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.917 -2.970 12.031 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.188 -4.220 11.630 1.00 0.00 N ATOM 0 H HIS A 104 -2.570 -3.359 8.235 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.185 -1.815 10.738 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.433 -4.777 10.239 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.997 -4.056 11.776 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -4.166 -1.793 12.065 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.888 -5.679 10.588 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.640 -2.295 12.465 1.00 0.00 H new ATOM 1638 N ARG A 105 0.068 -3.435 8.927 1.00 0.00 N ATOM 1639 CA ARG A 105 1.509 -3.555 8.731 1.00 0.00 C ATOM 1640 C ARG A 105 1.832 -3.771 7.262 1.00 0.00 C ATOM 1641 O ARG A 105 1.107 -4.453 6.544 1.00 0.00 O ATOM 1642 CB ARG A 105 2.075 -4.708 9.580 1.00 0.00 C ATOM 1643 CG ARG A 105 3.586 -4.526 9.798 1.00 0.00 C ATOM 1644 CD ARG A 105 4.206 -5.645 10.640 1.00 0.00 C ATOM 1645 NE ARG A 105 4.326 -6.888 9.870 1.00 0.00 N ATOM 1646 CZ ARG A 105 4.800 -8.060 10.297 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.219 -8.229 11.549 1.00 0.00 N ATOM 1648 NH2 ARG A 105 4.875 -9.057 9.431 1.00 0.00 N ATOM 0 H ARG A 105 -0.495 -3.881 8.203 1.00 0.00 H new ATOM 0 HA ARG A 105 1.977 -2.625 9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.565 -4.743 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.885 -5.660 9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.086 -4.487 8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.765 -3.569 10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.190 -5.336 10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.593 -5.820 11.524 1.00 0.00 H new ATOM 0 HE ARG A 105 4.012 -6.852 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.182 -7.452 12.208 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.577 -9.136 11.849 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.575 -8.918 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.233 -9.965 9.728 1.00 0.00 H new ATOM 1662 N ALA A 106 2.912 -3.156 6.805 1.00 0.00 N ATOM 1663 CA ALA A 106 3.377 -3.273 5.438 1.00 0.00 C ATOM 1664 C ALA A 106 4.229 -4.545 5.356 1.00 0.00 C ATOM 1665 O ALA A 106 5.075 -4.743 6.236 1.00 0.00 O ATOM 1666 CB ALA A 106 4.185 -2.015 5.144 1.00 0.00 C ATOM 0 H ALA A 106 3.496 -2.554 7.385 1.00 0.00 H new ATOM 0 HA ALA A 106 2.574 -3.354 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.560 -2.054 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.549 -1.138 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.025 -1.952 5.836 1.00 0.00 H new ATOM 1672 N VAL A 107 4.029 -5.411 4.354 1.00 0.00 N ATOM 1673 CA VAL A 107 4.795 -6.635 4.217 1.00 0.00 C ATOM 1674 C VAL A 107 6.171 -6.235 3.685 1.00 0.00 C ATOM 1675 O VAL A 107 6.216 -5.652 2.599 1.00 0.00 O ATOM 1676 CB VAL A 107 4.062 -7.587 3.259 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.879 -8.864 3.101 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.668 -7.961 3.768 1.00 0.00 C ATOM 0 H VAL A 107 3.331 -5.274 3.623 1.00 0.00 H new ATOM 0 HA VAL A 107 4.908 -7.161 5.165 1.00 0.00 H new ATOM 0 HB VAL A 107 3.948 -7.070 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.364 -9.544 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.861 -8.620 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.998 -9.343 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.190 -8.635 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.755 -8.456 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.065 -7.059 3.874 1.00 0.00 H new ATOM 1688 N PRO A 108 7.278 -6.447 4.418 1.00 0.00 N ATOM 1689 CA PRO A 108 8.595 -6.066 3.939 1.00 0.00 C ATOM 1690 C PRO A 108 9.005 -6.935 2.744 1.00 0.00 C ATOM 1691 O PRO A 108 8.811 -8.158 2.749 1.00 0.00 O ATOM 1692 CB PRO A 108 9.523 -6.184 5.147 1.00 0.00 C ATOM 1693 CG PRO A 108 8.837 -7.171 6.082 1.00 0.00 C ATOM 1694 CD PRO A 108 7.355 -7.110 5.713 1.00 0.00 C ATOM 0 HA PRO A 108 8.631 -5.046 3.555 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.510 -6.541 4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.665 -5.217 5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.234 -8.178 5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 108 8.994 -6.899 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 108 6.926 -8.111 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.790 -6.559 6.465 1.00 0.00 H new ATOM 1702 N SER A 109 9.607 -6.315 1.732 1.00 0.00 N ATOM 1703 CA SER A 109 10.059 -6.972 0.517 1.00 0.00 C ATOM 1704 C SER A 109 11.290 -7.850 0.735 1.00 0.00 C ATOM 1705 O SER A 109 11.429 -8.877 0.067 1.00 0.00 O ATOM 1706 CB SER A 109 10.284 -5.907 -0.563 1.00 0.00 C ATOM 1707 OG SER A 109 11.122 -4.855 -0.111 1.00 0.00 O ATOM 0 H SER A 109 9.797 -5.313 1.739 1.00 0.00 H new ATOM 0 HA SER A 109 9.284 -7.663 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.730 -6.372 -1.442 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.323 -5.496 -0.872 1.00 0.00 H new ATOM 0 HG SER A 109 11.241 -4.199 -0.830 1.00 0.00 H new