USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 938 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 73 GLN : amide:sc= -8.52! C(o=-15!,f=-18!) USER MOD Set 1.2: A 118 ASN : amide:sc= -6.57! C(o=-15!,f=-22!) USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 GLN : amide:sc= -9.52! C(o=-9.5!,f=-13!) USER MOD Set 3.2: A 62 GLN :FLIP amide:sc= 0.00104 F(o=-15!,f=-9.5) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= -0.117 USER MOD Set 4.2: A 8 SER OG : rot 125:sc= -2.82! USER MOD Single : A 17 LYS NZ :NH3+ -167:sc=-0.00847 (180deg=-0.278) USER MOD Single : A 20 SER OG : rot -29:sc= 0.0499 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -72:sc= 1.1 USER MOD Single : A 42 ASN : amide:sc= -0.491 K(o=-0.49,f=-4.8!) USER MOD Single : A 43 SER OG : rot 120:sc=-0.00149 USER MOD Single : A 44 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.96) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.1 F(o=-0.61,f=-0.1) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.5) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -107:sc= 0.474 (180deg=-1.21!) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.0323 (180deg=-0.366) USER MOD Single : A 71 SER OG : rot 73:sc= 0.0321 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -32:sc= 0.553 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -4.58! C(o=-8.6!,f=-4.6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.113) USER MOD Single : A 93 CYS SG : rot 180:sc= -0.732 USER MOD Single : A 96 THR OG1 : rot -170:sc= -0.41 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -117:sc= -0.682 (180deg=-4.58!) USER MOD Single : A 101 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.43) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 112 SER OG : rot 16:sc= 1.19 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 8.216 -15.372 -4.842 1.00 0.00 N ATOM 83 CA THR A 7 9.374 -15.101 -3.927 1.00 0.00 C ATOM 84 C THR A 7 9.821 -13.636 -4.128 1.00 0.00 C ATOM 85 O THR A 7 9.975 -13.226 -5.251 1.00 0.00 O ATOM 86 CB THR A 7 10.496 -16.150 -4.166 1.00 0.00 C ATOM 87 OG1 THR A 7 11.737 -15.614 -3.727 1.00 0.00 O ATOM 88 CG2 THR A 7 10.631 -16.503 -5.659 1.00 0.00 C ATOM 0 HA THR A 7 9.093 -15.210 -2.879 1.00 0.00 H new ATOM 0 HB THR A 7 10.234 -17.051 -3.611 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.448 -16.272 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.425 -17.239 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.690 -16.917 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.874 -15.604 -6.225 1.00 0.00 H new ATOM 96 N SER A 8 10.182 -12.865 -3.096 1.00 0.00 N ATOM 97 CA SER A 8 10.043 -13.272 -1.655 1.00 0.00 C ATOM 98 C SER A 8 10.173 -11.995 -0.855 1.00 0.00 C ATOM 99 O SER A 8 11.250 -11.510 -0.579 1.00 0.00 O ATOM 100 CB SER A 8 11.139 -14.276 -1.270 1.00 0.00 C ATOM 101 OG SER A 8 10.681 -15.603 -1.492 1.00 0.00 O ATOM 0 H SER A 8 10.582 -11.934 -3.216 1.00 0.00 H new ATOM 0 HA SER A 8 9.090 -13.765 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.038 -14.089 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.411 -14.147 -0.222 1.00 0.00 H new ATOM 0 HG SER A 8 11.308 -16.071 -2.082 1.00 0.00 H new ATOM 107 N TRP A 9 9.067 -11.573 -0.342 1.00 0.00 N ATOM 108 CA TRP A 9 9.004 -10.463 0.583 1.00 0.00 C ATOM 109 C TRP A 9 7.513 -10.248 0.741 1.00 0.00 C ATOM 110 O TRP A 9 6.794 -10.205 -0.206 1.00 0.00 O ATOM 111 CB TRP A 9 9.802 -9.252 0.023 1.00 0.00 C ATOM 112 CG TRP A 9 9.003 -8.692 -1.133 1.00 0.00 C ATOM 113 CD1 TRP A 9 8.643 -9.422 -2.199 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.440 -7.365 -1.354 1.00 0.00 C ATOM 115 NE1 TRP A 9 7.847 -8.690 -3.039 1.00 0.00 N ATOM 116 CE2 TRP A 9 7.710 -7.390 -2.588 1.00 0.00 C ATOM 117 CE3 TRP A 9 8.477 -6.153 -0.626 1.00 0.00 C ATOM 118 CZ2 TRP A 9 7.045 -6.253 -3.066 1.00 0.00 C ATOM 119 CZ3 TRP A 9 7.811 -5.006 -1.111 1.00 0.00 C ATOM 120 CH2 TRP A 9 7.099 -5.056 -2.328 1.00 0.00 C ATOM 0 H TRP A 9 8.159 -11.989 -0.549 1.00 0.00 H new ATOM 0 HA TRP A 9 9.468 -10.630 1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.946 -8.495 0.794 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.793 -9.563 -0.308 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.940 -10.446 -2.371 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.412 -9.056 -3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.018 -6.104 0.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.495 -6.295 -3.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 7.847 -4.086 -0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.594 -4.174 -2.694 1.00 0.00 H new ATOM 131 N ASP A 10 7.037 -10.116 1.938 1.00 0.00 N ATOM 132 CA ASP A 10 5.575 -9.950 2.120 1.00 0.00 C ATOM 133 C ASP A 10 5.185 -8.493 1.937 1.00 0.00 C ATOM 134 O ASP A 10 5.468 -7.672 2.786 1.00 0.00 O ATOM 135 CB ASP A 10 5.166 -10.515 3.519 1.00 0.00 C ATOM 136 CG ASP A 10 3.645 -10.461 3.812 1.00 0.00 C ATOM 137 OD1 ASP A 10 2.897 -9.895 3.030 1.00 0.00 O ATOM 138 OD2 ASP A 10 3.248 -11.048 4.804 1.00 0.00 O ATOM 0 H ASP A 10 7.591 -10.115 2.795 1.00 0.00 H new ATOM 0 HA ASP A 10 5.031 -10.514 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.501 -11.550 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.693 -9.955 4.292 1.00 0.00 H new ATOM 143 N PHE A 11 4.487 -8.156 0.904 1.00 0.00 N ATOM 144 CA PHE A 11 4.065 -6.723 0.795 1.00 0.00 C ATOM 145 C PHE A 11 2.587 -6.727 0.357 1.00 0.00 C ATOM 146 O PHE A 11 2.212 -5.926 -0.436 1.00 0.00 O ATOM 147 CB PHE A 11 4.902 -6.005 -0.304 1.00 0.00 C ATOM 148 CG PHE A 11 5.267 -4.572 0.064 1.00 0.00 C ATOM 149 CD1 PHE A 11 5.989 -4.264 1.243 1.00 0.00 C ATOM 150 CD2 PHE A 11 4.924 -3.529 -0.824 1.00 0.00 C ATOM 151 CE1 PHE A 11 6.361 -2.932 1.515 1.00 0.00 C ATOM 152 CE2 PHE A 11 5.289 -2.201 -0.538 1.00 0.00 C ATOM 153 CZ PHE A 11 6.008 -1.903 0.628 1.00 0.00 C ATOM 0 H PHE A 11 4.192 -8.775 0.149 1.00 0.00 H new ATOM 0 HA PHE A 11 4.209 -6.207 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.816 -6.571 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.339 -6.002 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.255 -5.050 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.378 -3.752 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.920 -2.702 2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.015 -1.409 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.290 -0.883 0.844 1.00 0.00 H new ATOM 163 N GLY A 12 1.715 -7.547 0.895 1.00 0.00 N ATOM 164 CA GLY A 12 0.288 -7.455 0.413 1.00 0.00 C ATOM 165 C GLY A 12 -0.272 -6.035 0.562 1.00 0.00 C ATOM 166 O GLY A 12 -0.852 -5.472 -0.358 1.00 0.00 O ATOM 0 H GLY A 12 1.908 -8.246 1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.237 -7.758 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.332 -8.152 0.977 1.00 0.00 H new ATOM 170 N PRO A 13 -0.039 -5.426 1.692 1.00 0.00 N ATOM 171 CA PRO A 13 -0.516 -4.054 1.975 1.00 0.00 C ATOM 172 C PRO A 13 -0.584 -3.211 0.707 1.00 0.00 C ATOM 173 O PRO A 13 -1.647 -2.970 0.167 1.00 0.00 O ATOM 174 CB PRO A 13 0.524 -3.501 2.959 1.00 0.00 C ATOM 175 CG PRO A 13 0.938 -4.679 3.777 1.00 0.00 C ATOM 176 CD PRO A 13 0.709 -5.928 2.911 1.00 0.00 C ATOM 0 HA PRO A 13 -1.528 -4.039 2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.374 -3.066 2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.099 -2.715 3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.985 -4.598 4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.355 -4.735 4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.654 -6.393 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.130 -6.680 3.447 1.00 0.00 H new ATOM 184 N GLN A 14 0.537 -2.750 0.220 1.00 0.00 N ATOM 185 CA GLN A 14 0.494 -1.911 -0.998 1.00 0.00 C ATOM 186 C GLN A 14 -0.278 -2.644 -2.091 1.00 0.00 C ATOM 187 O GLN A 14 -0.899 -2.013 -2.895 1.00 0.00 O ATOM 188 CB GLN A 14 1.918 -1.547 -1.479 1.00 0.00 C ATOM 189 CG GLN A 14 2.410 -0.246 -0.807 1.00 0.00 C ATOM 190 CD GLN A 14 3.365 0.507 -1.735 1.00 0.00 C ATOM 191 OE1 GLN A 14 3.650 1.665 -1.517 1.00 0.00 O ATOM 192 NE2 GLN A 14 3.863 -0.109 -2.770 1.00 0.00 N ATOM 0 H GLN A 14 1.464 -2.918 0.610 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.017 -0.977 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.604 -2.362 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.920 -1.425 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.558 0.388 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.914 -0.482 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.620 -1.083 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.496 0.383 -3.401 1.00 0.00 H new ATOM 201 N ALA A 15 -0.266 -3.954 -2.144 1.00 0.00 N ATOM 202 CA ALA A 15 -1.002 -4.604 -3.262 1.00 0.00 C ATOM 203 C ALA A 15 -2.470 -4.623 -2.898 1.00 0.00 C ATOM 204 O ALA A 15 -3.310 -4.204 -3.668 1.00 0.00 O ATOM 205 CB ALA A 15 -0.485 -6.018 -3.554 1.00 0.00 C ATOM 0 H ALA A 15 0.203 -4.578 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.843 -4.035 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.053 -6.450 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.569 -5.971 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.603 -6.639 -2.666 1.00 0.00 H new ATOM 211 N PHE A 16 -2.800 -5.029 -1.702 1.00 0.00 N ATOM 212 CA PHE A 16 -4.224 -5.054 -1.327 1.00 0.00 C ATOM 213 C PHE A 16 -4.636 -3.595 -1.339 1.00 0.00 C ATOM 214 O PHE A 16 -5.612 -3.211 -1.916 1.00 0.00 O ATOM 215 CB PHE A 16 -4.391 -5.679 0.076 1.00 0.00 C ATOM 216 CG PHE A 16 -4.183 -7.186 0.029 1.00 0.00 C ATOM 217 CD1 PHE A 16 -5.042 -7.990 -0.739 1.00 0.00 C ATOM 218 CD2 PHE A 16 -3.127 -7.776 0.756 1.00 0.00 C ATOM 219 CE1 PHE A 16 -4.851 -9.387 -0.779 1.00 0.00 C ATOM 220 CE2 PHE A 16 -2.938 -9.174 0.711 1.00 0.00 C ATOM 221 CZ PHE A 16 -3.799 -9.976 -0.056 1.00 0.00 C ATOM 0 H PHE A 16 -2.147 -5.339 -0.982 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.836 -5.654 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.676 -5.231 0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.386 -5.457 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.848 -7.539 -1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.465 -7.159 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.514 -10.005 -1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.131 -9.627 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.653 -11.046 -0.090 1.00 0.00 H new ATOM 231 N LYS A 17 -3.842 -2.761 -0.755 1.00 0.00 N ATOM 232 CA LYS A 17 -4.181 -1.323 -0.761 1.00 0.00 C ATOM 233 C LYS A 17 -4.256 -0.805 -2.208 1.00 0.00 C ATOM 234 O LYS A 17 -5.161 -0.068 -2.534 1.00 0.00 O ATOM 235 CB LYS A 17 -3.147 -0.561 0.086 1.00 0.00 C ATOM 236 CG LYS A 17 -3.228 -0.931 1.592 1.00 0.00 C ATOM 237 CD LYS A 17 -2.178 -0.203 2.477 1.00 0.00 C ATOM 238 CE LYS A 17 -2.271 -0.707 3.942 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.616 -0.414 4.510 1.00 0.00 N ATOM 0 H LYS A 17 -2.977 -3.009 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.163 -1.160 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.146 -0.779 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.305 0.511 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.226 -0.695 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.095 -2.008 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.176 -0.381 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.347 0.873 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.081 -1.780 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.502 -0.227 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.595 -0.552 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.876 0.570 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.318 -1.056 4.089 1.00 0.00 H new ATOM 253 N LEU A 18 -3.371 -1.185 -3.111 1.00 0.00 N ATOM 254 CA LEU A 18 -3.530 -0.674 -4.504 1.00 0.00 C ATOM 255 C LEU A 18 -4.878 -1.190 -4.983 1.00 0.00 C ATOM 256 O LEU A 18 -5.634 -0.474 -5.590 1.00 0.00 O ATOM 257 CB LEU A 18 -2.403 -1.198 -5.443 1.00 0.00 C ATOM 258 CG LEU A 18 -2.575 -0.715 -6.899 1.00 0.00 C ATOM 259 CD1 LEU A 18 -1.215 -0.367 -7.525 1.00 0.00 C ATOM 260 CD2 LEU A 18 -3.298 -1.775 -7.744 1.00 0.00 C ATOM 0 H LEU A 18 -2.577 -1.804 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.470 0.414 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.436 -0.866 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.396 -2.288 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.186 0.188 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.362 -0.029 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.740 0.426 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.576 -1.250 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.408 -1.413 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.717 -2.697 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.283 -1.969 -7.320 1.00 0.00 H new ATOM 272 N LEU A 19 -5.193 -2.417 -4.688 1.00 0.00 N ATOM 273 CA LEU A 19 -6.497 -2.956 -5.123 1.00 0.00 C ATOM 274 C LEU A 19 -7.687 -2.165 -4.493 1.00 0.00 C ATOM 275 O LEU A 19 -8.666 -1.902 -5.196 1.00 0.00 O ATOM 276 CB LEU A 19 -6.538 -4.476 -4.843 1.00 0.00 C ATOM 277 CG LEU A 19 -5.524 -5.282 -5.685 1.00 0.00 C ATOM 278 CD1 LEU A 19 -5.522 -6.802 -5.340 1.00 0.00 C ATOM 279 CD2 LEU A 19 -5.902 -5.130 -7.166 1.00 0.00 C ATOM 0 H LEU A 19 -4.603 -3.065 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.613 -2.820 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.339 -4.649 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.543 -4.848 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.530 -4.891 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.790 -7.316 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.262 -6.936 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.512 -7.218 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.198 -5.692 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.910 -5.513 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.866 -4.077 -7.444 1.00 0.00 H new ATOM 291 N SER A 20 -7.717 -1.798 -3.205 1.00 0.00 N ATOM 292 CA SER A 20 -8.976 -1.053 -2.784 1.00 0.00 C ATOM 293 C SER A 20 -9.073 0.323 -3.503 1.00 0.00 C ATOM 294 O SER A 20 -10.152 0.907 -3.611 1.00 0.00 O ATOM 295 CB SER A 20 -9.078 -0.882 -1.257 1.00 0.00 C ATOM 296 OG SER A 20 -10.337 -0.307 -0.930 1.00 0.00 O ATOM 0 H SER A 20 -7.003 -1.961 -2.495 1.00 0.00 H new ATOM 0 HA SER A 20 -9.823 -1.667 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.967 -1.848 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.270 -0.245 -0.896 1.00 0.00 H new ATOM 0 HG SER A 20 -10.641 0.258 -1.671 1.00 0.00 H new ATOM 302 N ALA A 21 -7.988 0.876 -3.989 1.00 0.00 N ATOM 303 CA ALA A 21 -8.111 2.215 -4.658 1.00 0.00 C ATOM 304 C ALA A 21 -8.863 2.103 -5.996 1.00 0.00 C ATOM 305 O ALA A 21 -9.757 2.880 -6.261 1.00 0.00 O ATOM 306 CB ALA A 21 -6.734 2.851 -4.888 1.00 0.00 C ATOM 0 H ALA A 21 -7.050 0.477 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.684 2.857 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.857 3.819 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.231 2.987 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.134 2.200 -5.524 1.00 0.00 H new ATOM 312 N VAL A 22 -8.535 1.154 -6.844 1.00 0.00 N ATOM 313 CA VAL A 22 -9.284 1.036 -8.144 1.00 0.00 C ATOM 314 C VAL A 22 -10.748 0.777 -7.803 1.00 0.00 C ATOM 315 O VAL A 22 -11.646 1.328 -8.395 1.00 0.00 O ATOM 316 CB VAL A 22 -8.656 -0.121 -8.992 1.00 0.00 C ATOM 317 CG1 VAL A 22 -7.266 0.227 -9.541 1.00 0.00 C ATOM 318 CG2 VAL A 22 -8.560 -1.436 -8.176 1.00 0.00 C ATOM 0 H VAL A 22 -7.795 0.467 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.217 1.945 -8.742 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.330 -0.261 -9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.883 -0.613 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.337 1.106 -10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.589 0.436 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.120 -2.217 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.935 -1.274 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.557 -1.742 -7.861 1.00 0.00 H new ATOM 328 N ASP A 23 -10.962 -0.034 -6.831 1.00 0.00 N ATOM 329 CA ASP A 23 -12.342 -0.351 -6.393 1.00 0.00 C ATOM 330 C ASP A 23 -13.012 0.931 -5.899 1.00 0.00 C ATOM 331 O ASP A 23 -14.126 1.235 -6.279 1.00 0.00 O ATOM 332 CB ASP A 23 -12.300 -1.382 -5.262 1.00 0.00 C ATOM 333 CG ASP A 23 -13.713 -1.615 -4.727 1.00 0.00 C ATOM 334 OD1 ASP A 23 -14.607 -1.820 -5.533 1.00 0.00 O ATOM 335 OD2 ASP A 23 -13.878 -1.582 -3.518 1.00 0.00 O ATOM 0 H ASP A 23 -10.228 -0.506 -6.304 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.909 -0.764 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.879 -2.319 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.650 -1.031 -4.460 1.00 0.00 H new ATOM 340 N ILE A 24 -12.354 1.715 -5.069 1.00 0.00 N ATOM 341 CA ILE A 24 -13.026 2.974 -4.611 1.00 0.00 C ATOM 342 C ILE A 24 -13.342 3.812 -5.864 1.00 0.00 C ATOM 343 O ILE A 24 -14.277 4.582 -5.901 1.00 0.00 O ATOM 344 CB ILE A 24 -12.122 3.737 -3.591 1.00 0.00 C ATOM 345 CG1 ILE A 24 -12.039 2.943 -2.274 1.00 0.00 C ATOM 346 CG2 ILE A 24 -12.663 5.145 -3.280 1.00 0.00 C ATOM 347 CD1 ILE A 24 -13.262 3.245 -1.397 1.00 0.00 C ATOM 0 H ILE A 24 -11.417 1.546 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.955 2.756 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.136 3.838 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.989 1.875 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.125 3.204 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.003 5.639 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.706 5.729 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.663 5.065 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.193 2.678 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.293 4.311 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.170 2.961 -1.929 1.00 0.00 H new ATOM 359 N LEU A 25 -12.569 3.616 -6.902 1.00 0.00 N ATOM 360 CA LEU A 25 -12.792 4.346 -8.186 1.00 0.00 C ATOM 361 C LEU A 25 -13.797 3.537 -8.994 1.00 0.00 C ATOM 362 O LEU A 25 -14.173 3.896 -10.091 1.00 0.00 O ATOM 363 CB LEU A 25 -11.452 4.464 -8.932 1.00 0.00 C ATOM 364 CG LEU A 25 -10.463 5.331 -8.120 1.00 0.00 C ATOM 365 CD1 LEU A 25 -9.063 5.261 -8.734 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.937 6.794 -8.116 1.00 0.00 C ATOM 0 H LEU A 25 -11.780 2.970 -6.913 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.176 5.352 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.029 3.472 -9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.613 4.907 -9.915 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.426 4.950 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.379 5.877 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.715 4.228 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.097 5.628 -9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.237 7.402 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.984 7.164 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.926 6.855 -7.662 1.00 0.00 H new ATOM 378 N GLY A 26 -14.226 2.427 -8.438 1.00 0.00 N ATOM 379 CA GLY A 26 -15.210 1.544 -9.128 1.00 0.00 C ATOM 380 C GLY A 26 -14.525 0.790 -10.271 1.00 0.00 C ATOM 381 O GLY A 26 -15.172 0.349 -11.191 1.00 0.00 O ATOM 0 H GLY A 26 -13.928 2.095 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.636 0.835 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.035 2.140 -9.518 1.00 0.00 H new ATOM 385 N GLU A 27 -13.219 0.648 -10.183 1.00 0.00 N ATOM 386 CA GLU A 27 -12.403 -0.075 -11.226 1.00 0.00 C ATOM 387 C GLU A 27 -12.509 0.569 -12.634 1.00 0.00 C ATOM 388 O GLU A 27 -12.033 -0.004 -13.592 1.00 0.00 O ATOM 389 CB GLU A 27 -12.823 -1.553 -11.366 1.00 0.00 C ATOM 390 CG GLU A 27 -12.504 -2.390 -10.105 1.00 0.00 C ATOM 391 CD GLU A 27 -12.965 -3.840 -10.310 1.00 0.00 C ATOM 392 OE1 GLU A 27 -12.479 -4.481 -11.230 1.00 0.00 O ATOM 393 OE2 GLU A 27 -13.795 -4.285 -9.538 1.00 0.00 O ATOM 0 H GLU A 27 -12.666 1.014 -9.408 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.376 -0.001 -10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.893 -1.604 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.314 -1.991 -12.225 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.433 -2.365 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.003 -1.960 -9.237 1.00 0.00 H new ATOM 400 N LYS A 28 -13.085 1.745 -12.802 1.00 0.00 N ATOM 401 CA LYS A 28 -13.131 2.327 -14.200 1.00 0.00 C ATOM 402 C LYS A 28 -11.777 2.978 -14.498 1.00 0.00 C ATOM 403 O LYS A 28 -11.620 3.828 -15.347 1.00 0.00 O ATOM 404 CB LYS A 28 -14.324 3.322 -14.352 1.00 0.00 C ATOM 405 CG LYS A 28 -15.711 2.676 -14.105 1.00 0.00 C ATOM 406 CD LYS A 28 -16.128 1.716 -15.268 1.00 0.00 C ATOM 407 CE LYS A 28 -17.516 1.119 -14.999 1.00 0.00 C ATOM 408 NZ LYS A 28 -18.567 2.081 -15.438 1.00 0.00 N ATOM 0 H LYS A 28 -13.510 2.310 -12.067 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.305 1.539 -14.933 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.188 4.147 -13.653 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.305 3.747 -15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.690 2.121 -13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.461 3.459 -13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.136 2.261 -16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.394 0.916 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.627 0.175 -15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.629 0.900 -13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.507 1.675 -15.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.465 2.971 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.463 2.268 -16.456 1.00 0.00 H new ATOM 422 N PHE A 29 -10.759 2.552 -13.832 1.00 0.00 N ATOM 423 CA PHE A 29 -9.427 3.157 -14.107 1.00 0.00 C ATOM 424 C PHE A 29 -8.356 2.072 -14.089 1.00 0.00 C ATOM 425 O PHE A 29 -8.460 1.068 -13.399 1.00 0.00 O ATOM 426 CB PHE A 29 -9.100 4.207 -13.054 1.00 0.00 C ATOM 427 CG PHE A 29 -10.010 5.385 -13.249 1.00 0.00 C ATOM 428 CD1 PHE A 29 -11.317 5.348 -12.759 1.00 0.00 C ATOM 429 CD2 PHE A 29 -9.540 6.513 -13.919 1.00 0.00 C ATOM 430 CE1 PHE A 29 -12.164 6.448 -12.949 1.00 0.00 C ATOM 431 CE2 PHE A 29 -10.388 7.622 -14.112 1.00 0.00 C ATOM 432 CZ PHE A 29 -11.705 7.584 -13.630 1.00 0.00 C ATOM 0 H PHE A 29 -10.779 1.823 -13.118 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.452 3.630 -15.088 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.228 3.792 -12.054 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.058 4.516 -13.140 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.674 4.474 -12.235 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.526 6.537 -14.290 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.175 6.420 -12.569 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.025 8.498 -14.629 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.363 8.427 -13.783 1.00 0.00 H new ATOM 442 N GLY A 30 -7.333 2.304 -14.872 1.00 0.00 N ATOM 443 CA GLY A 30 -6.187 1.363 -14.997 1.00 0.00 C ATOM 444 C GLY A 30 -5.027 1.840 -14.102 1.00 0.00 C ATOM 445 O GLY A 30 -5.208 2.619 -13.186 1.00 0.00 O ATOM 0 H GLY A 30 -7.246 3.140 -15.450 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.495 0.359 -14.706 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.860 1.308 -16.035 1.00 0.00 H new ATOM 449 N ILE A 31 -3.841 1.350 -14.362 1.00 0.00 N ATOM 450 CA ILE A 31 -2.632 1.738 -13.539 1.00 0.00 C ATOM 451 C ILE A 31 -2.334 3.257 -13.597 1.00 0.00 C ATOM 452 O ILE A 31 -1.769 3.841 -12.665 1.00 0.00 O ATOM 453 CB ILE A 31 -1.420 0.968 -14.079 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.226 1.200 -13.145 1.00 0.00 C ATOM 455 CG2 ILE A 31 -1.079 1.469 -15.484 1.00 0.00 C ATOM 456 CD1 ILE A 31 0.919 0.249 -13.510 1.00 0.00 C ATOM 0 H ILE A 31 -3.647 0.690 -15.115 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.837 1.490 -12.498 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.649 -0.097 -14.125 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.111 2.234 -13.222 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.527 1.039 -12.110 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.218 0.921 -15.867 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.932 1.311 -16.144 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.844 2.533 -15.444 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.762 0.421 -12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.581 -0.782 -13.410 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.229 0.431 -14.539 1.00 0.00 H new ATOM 468 N GLY A 32 -2.655 3.874 -14.700 1.00 0.00 N ATOM 469 CA GLY A 32 -2.375 5.336 -14.903 1.00 0.00 C ATOM 470 C GLY A 32 -2.540 6.184 -13.630 1.00 0.00 C ATOM 471 O GLY A 32 -1.572 6.654 -13.066 1.00 0.00 O ATOM 0 H GLY A 32 -3.111 3.421 -15.492 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.358 5.453 -15.276 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.043 5.721 -15.673 1.00 0.00 H new ATOM 475 N LEU A 33 -3.755 6.437 -13.205 1.00 0.00 N ATOM 476 CA LEU A 33 -3.960 7.308 -12.003 1.00 0.00 C ATOM 477 C LEU A 33 -3.373 6.647 -10.730 1.00 0.00 C ATOM 478 O LEU A 33 -2.649 7.294 -10.004 1.00 0.00 O ATOM 479 CB LEU A 33 -5.467 7.634 -11.830 1.00 0.00 C ATOM 480 CG LEU A 33 -5.760 8.234 -10.429 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.948 9.525 -10.221 1.00 0.00 C ATOM 482 CD2 LEU A 33 -7.256 8.557 -10.341 1.00 0.00 C ATOM 0 H LEU A 33 -4.609 6.081 -13.635 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.425 8.245 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.779 8.338 -12.601 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.055 6.727 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.479 7.515 -9.659 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.163 9.935 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.884 9.302 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.221 10.254 -10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.480 8.980 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.519 9.277 -11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.834 7.644 -10.483 1.00 0.00 H new ATOM 494 N PRO A 34 -3.655 5.395 -10.434 1.00 0.00 N ATOM 495 CA PRO A 34 -3.101 4.709 -9.217 1.00 0.00 C ATOM 496 C PRO A 34 -1.641 5.084 -8.897 1.00 0.00 C ATOM 497 O PRO A 34 -1.347 5.523 -7.805 1.00 0.00 O ATOM 498 CB PRO A 34 -3.201 3.238 -9.604 1.00 0.00 C ATOM 499 CG PRO A 34 -4.453 3.165 -10.419 1.00 0.00 C ATOM 500 CD PRO A 34 -4.539 4.488 -11.200 1.00 0.00 C ATOM 0 HA PRO A 34 -3.643 4.989 -8.313 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.332 2.916 -10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.259 2.597 -8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.425 2.313 -11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.326 3.034 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.200 4.370 -12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.561 4.864 -11.243 1.00 0.00 H new ATOM 508 N ILE A 35 -0.714 4.958 -9.808 1.00 0.00 N ATOM 509 CA ILE A 35 0.697 5.372 -9.445 1.00 0.00 C ATOM 510 C ILE A 35 0.689 6.882 -9.127 1.00 0.00 C ATOM 511 O ILE A 35 1.226 7.313 -8.129 1.00 0.00 O ATOM 512 CB ILE A 35 1.614 5.042 -10.614 1.00 0.00 C ATOM 513 CG1 ILE A 35 3.084 5.058 -10.174 1.00 0.00 C ATOM 514 CG2 ILE A 35 1.390 6.017 -11.772 1.00 0.00 C ATOM 515 CD1 ILE A 35 3.984 4.478 -11.280 1.00 0.00 C ATOM 0 H ILE A 35 -0.850 4.603 -10.754 1.00 0.00 H new ATOM 0 HA ILE A 35 1.063 4.838 -8.568 1.00 0.00 H new ATOM 0 HB ILE A 35 1.371 4.037 -10.960 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.390 6.079 -9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.202 4.478 -9.259 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.056 5.762 -12.596 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.355 5.951 -12.108 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.599 7.033 -11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.023 4.497 -10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.688 3.450 -11.488 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.879 5.076 -12.185 1.00 0.00 H new ATOM 527 N LEU A 36 0.036 7.673 -9.947 1.00 0.00 N ATOM 528 CA LEU A 36 -0.072 9.139 -9.658 1.00 0.00 C ATOM 529 C LEU A 36 -0.810 9.385 -8.321 1.00 0.00 C ATOM 530 O LEU A 36 -0.392 10.210 -7.518 1.00 0.00 O ATOM 531 CB LEU A 36 -0.825 9.853 -10.792 1.00 0.00 C ATOM 532 CG LEU A 36 -0.015 9.791 -12.093 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.866 10.321 -13.260 1.00 0.00 C ATOM 534 CD2 LEU A 36 1.254 10.645 -11.963 1.00 0.00 C ATOM 0 H LEU A 36 -0.426 7.366 -10.803 1.00 0.00 H new ATOM 0 HA LEU A 36 0.939 9.540 -9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.799 9.387 -10.940 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.007 10.892 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 36 0.265 8.755 -12.285 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.287 10.275 -14.182 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.763 9.710 -13.364 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.152 11.354 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.823 10.595 -12.891 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.977 11.680 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.864 10.267 -11.143 1.00 0.00 H new ATOM 546 N PHE A 37 -1.907 8.693 -8.078 1.00 0.00 N ATOM 547 CA PHE A 37 -2.646 8.870 -6.777 1.00 0.00 C ATOM 548 C PHE A 37 -1.994 7.973 -5.736 1.00 0.00 C ATOM 549 O PHE A 37 -2.235 8.697 -4.777 1.00 0.00 O ATOM 550 CB PHE A 37 -4.117 8.359 -6.887 1.00 0.00 C ATOM 551 CG PHE A 37 -4.982 8.600 -5.664 1.00 0.00 C ATOM 552 CD1 PHE A 37 -4.999 7.646 -4.619 1.00 0.00 C ATOM 553 CD2 PHE A 37 -5.855 9.694 -5.611 1.00 0.00 C ATOM 554 CE1 PHE A 37 -5.869 7.803 -3.531 1.00 0.00 C ATOM 555 CE2 PHE A 37 -6.747 9.844 -4.535 1.00 0.00 C ATOM 556 CZ PHE A 37 -6.753 8.898 -3.491 1.00 0.00 C ATOM 0 H PHE A 37 -2.320 8.017 -8.721 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.622 9.929 -6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.588 8.840 -7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.098 7.289 -7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.338 6.793 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.843 10.428 -6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.861 7.085 -2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.427 10.683 -4.509 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.435 9.013 -2.661 1.00 0.00 H new ATOM 566 N LEU A 38 -1.367 6.867 -5.604 1.00 0.00 N ATOM 567 CA LEU A 38 -0.931 6.420 -4.328 1.00 0.00 C ATOM 568 C LEU A 38 0.097 7.414 -3.770 1.00 0.00 C ATOM 569 O LEU A 38 0.064 7.686 -2.602 1.00 0.00 O ATOM 570 CB LEU A 38 -0.413 5.006 -4.604 1.00 0.00 C ATOM 571 CG LEU A 38 -1.628 4.093 -5.034 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.141 2.820 -5.779 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.464 3.668 -3.799 1.00 0.00 C ATOM 0 H LEU A 38 -1.138 6.241 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.694 6.378 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.340 5.027 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.068 4.600 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.250 4.683 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.001 2.213 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.592 3.110 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.488 2.243 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.295 3.040 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.833 3.109 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.852 4.556 -3.300 1.00 0.00 H new ATOM 585 N ARG A 39 0.980 7.977 -4.559 1.00 0.00 N ATOM 586 CA ARG A 39 2.002 8.930 -4.007 1.00 0.00 C ATOM 587 C ARG A 39 1.430 10.325 -3.602 1.00 0.00 C ATOM 588 O ARG A 39 2.129 11.125 -3.023 1.00 0.00 O ATOM 589 CB ARG A 39 3.093 9.133 -5.071 1.00 0.00 C ATOM 590 CG ARG A 39 3.738 7.788 -5.449 1.00 0.00 C ATOM 591 CD ARG A 39 4.912 8.003 -6.411 1.00 0.00 C ATOM 592 NE ARG A 39 6.081 8.517 -5.642 1.00 0.00 N ATOM 593 CZ ARG A 39 7.281 8.413 -6.133 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.460 7.840 -7.292 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.304 8.873 -5.467 1.00 0.00 N ATOM 0 H ARG A 39 1.039 7.819 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 39 2.388 8.482 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.662 9.598 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.855 9.814 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.086 7.280 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.995 7.140 -5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.169 7.067 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.634 8.711 -7.192 1.00 0.00 H new ATOM 0 HE ARG A 39 5.940 8.951 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.660 7.476 -7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.400 7.757 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.164 9.316 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.244 8.790 -5.854 1.00 0.00 H new ATOM 609 N GLY A 40 0.168 10.594 -3.829 1.00 0.00 N ATOM 610 CA GLY A 40 -0.422 11.909 -3.420 1.00 0.00 C ATOM 611 C GLY A 40 0.048 12.982 -4.368 1.00 0.00 C ATOM 612 O GLY A 40 0.616 13.975 -3.970 1.00 0.00 O ATOM 0 H GLY A 40 -0.484 9.955 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.510 11.851 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.124 12.153 -2.400 1.00 0.00 H new ATOM 616 N SER A 41 -0.184 12.781 -5.636 1.00 0.00 N ATOM 617 CA SER A 41 0.266 13.804 -6.654 1.00 0.00 C ATOM 618 C SER A 41 -0.500 15.159 -6.554 1.00 0.00 C ATOM 619 O SER A 41 -1.549 15.279 -5.913 1.00 0.00 O ATOM 620 CB SER A 41 0.331 13.237 -8.055 1.00 0.00 C ATOM 621 OG SER A 41 -0.907 12.614 -8.364 1.00 0.00 O ATOM 0 H SER A 41 -0.660 11.965 -6.020 1.00 0.00 H new ATOM 0 HA SER A 41 1.294 14.056 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.541 14.031 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.144 12.515 -8.131 1.00 0.00 H new ATOM 0 HG SER A 41 -0.989 11.780 -7.857 1.00 0.00 H new ATOM 627 N ASN A 42 0.034 16.182 -7.176 1.00 0.00 N ATOM 628 CA ASN A 42 -0.627 17.535 -7.175 1.00 0.00 C ATOM 629 C ASN A 42 -1.912 17.347 -7.985 1.00 0.00 C ATOM 630 O ASN A 42 -1.903 17.186 -9.187 1.00 0.00 O ATOM 631 CB ASN A 42 0.225 18.634 -7.815 1.00 0.00 C ATOM 632 CG ASN A 42 -0.525 19.969 -7.718 1.00 0.00 C ATOM 633 OD1 ASN A 42 -1.640 20.017 -7.239 1.00 0.00 O ATOM 634 ND2 ASN A 42 0.050 21.062 -8.138 1.00 0.00 N ATOM 0 H ASN A 42 0.912 16.141 -7.693 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.796 17.863 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.188 18.706 -7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.430 18.392 -8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.437 21.955 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.986 21.023 -8.541 1.00 0.00 H new ATOM 641 N SER A 43 -3.023 17.375 -7.286 1.00 0.00 N ATOM 642 CA SER A 43 -4.368 17.214 -7.920 1.00 0.00 C ATOM 643 C SER A 43 -5.470 17.729 -6.990 1.00 0.00 C ATOM 644 O SER A 43 -5.904 17.053 -6.089 1.00 0.00 O ATOM 645 CB SER A 43 -4.612 15.736 -8.220 1.00 0.00 C ATOM 646 OG SER A 43 -5.841 15.601 -8.919 1.00 0.00 O ATOM 0 H SER A 43 -3.052 17.506 -6.275 1.00 0.00 H new ATOM 0 HA SER A 43 -4.390 17.793 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.794 15.333 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.642 15.164 -7.293 1.00 0.00 H new ATOM 0 HG SER A 43 -5.676 15.191 -9.794 1.00 0.00 H new ATOM 652 N GLN A 44 -5.907 18.944 -7.189 1.00 0.00 N ATOM 653 CA GLN A 44 -6.971 19.510 -6.310 1.00 0.00 C ATOM 654 C GLN A 44 -8.330 18.824 -6.553 1.00 0.00 C ATOM 655 O GLN A 44 -9.095 18.627 -5.631 1.00 0.00 O ATOM 656 CB GLN A 44 -7.108 21.007 -6.595 1.00 0.00 C ATOM 657 CG GLN A 44 -7.992 21.650 -5.524 1.00 0.00 C ATOM 658 CD GLN A 44 -7.268 21.623 -4.177 1.00 0.00 C ATOM 659 OE1 GLN A 44 -6.212 22.205 -4.034 1.00 0.00 O ATOM 660 NE2 GLN A 44 -7.795 20.967 -3.180 1.00 0.00 N ATOM 0 H GLN A 44 -5.573 19.569 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.684 19.339 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.125 21.478 -6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.543 21.162 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.227 22.678 -5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.939 21.115 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.682 20.479 -3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.320 20.942 -2.278 1.00 0.00 H new ATOM 669 N ARG A 45 -8.657 18.496 -7.778 1.00 0.00 N ATOM 670 CA ARG A 45 -9.989 17.859 -8.055 1.00 0.00 C ATOM 671 C ARG A 45 -10.094 16.467 -7.412 1.00 0.00 C ATOM 672 O ARG A 45 -11.123 16.101 -6.860 1.00 0.00 O ATOM 673 CB ARG A 45 -10.166 17.726 -9.575 1.00 0.00 C ATOM 674 CG ARG A 45 -11.554 17.140 -9.901 1.00 0.00 C ATOM 675 CD ARG A 45 -11.742 17.024 -11.423 1.00 0.00 C ATOM 676 NE ARG A 45 -13.130 16.559 -11.719 1.00 0.00 N ATOM 677 CZ ARG A 45 -13.415 15.286 -11.692 1.00 0.00 C ATOM 678 NH1 ARG A 45 -12.492 14.408 -11.412 1.00 0.00 N ATOM 679 NH2 ARG A 45 -14.635 14.891 -11.948 1.00 0.00 N ATOM 0 H ARG A 45 -8.066 18.639 -8.597 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.768 18.489 -7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.055 18.702 -10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.387 17.083 -9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.659 16.158 -9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.333 17.776 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.561 17.989 -11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.016 16.324 -11.838 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.857 17.238 -11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.540 14.715 -11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.722 13.415 -11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.358 15.577 -12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.864 13.897 -11.928 1.00 0.00 H new ATOM 693 N LEU A 46 -9.055 15.684 -7.480 1.00 0.00 N ATOM 694 CA LEU A 46 -9.119 14.313 -6.888 1.00 0.00 C ATOM 695 C LEU A 46 -8.694 14.389 -5.420 1.00 0.00 C ATOM 696 O LEU A 46 -8.807 13.435 -4.669 1.00 0.00 O ATOM 697 CB LEU A 46 -8.162 13.394 -7.667 1.00 0.00 C ATOM 698 CG LEU A 46 -8.629 13.210 -9.125 1.00 0.00 C ATOM 699 CD1 LEU A 46 -7.526 12.508 -9.921 1.00 0.00 C ATOM 700 CD2 LEU A 46 -9.901 12.357 -9.181 1.00 0.00 C ATOM 0 H LEU A 46 -8.167 15.929 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.132 13.916 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.157 13.817 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.105 12.423 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.841 14.191 -9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.850 12.375 -10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.620 13.114 -9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.321 11.534 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.214 12.239 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.701 11.377 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.693 12.848 -8.616 1.00 0.00 H new ATOM 712 N ALA A 47 -8.224 15.526 -4.987 1.00 0.00 N ATOM 713 CA ALA A 47 -7.828 15.635 -3.568 1.00 0.00 C ATOM 714 C ALA A 47 -9.027 16.107 -2.753 1.00 0.00 C ATOM 715 O ALA A 47 -9.051 15.937 -1.573 1.00 0.00 O ATOM 716 CB ALA A 47 -6.655 16.612 -3.410 1.00 0.00 C ATOM 0 H ALA A 47 -8.101 16.368 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.503 14.659 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.377 16.680 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.803 16.254 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.951 17.597 -3.771 1.00 0.00 H new ATOM 722 N ASP A 48 -10.033 16.692 -3.367 1.00 0.00 N ATOM 723 CA ASP A 48 -11.216 17.158 -2.572 1.00 0.00 C ATOM 724 C ASP A 48 -12.279 16.054 -2.562 1.00 0.00 C ATOM 725 O ASP A 48 -12.889 15.762 -1.554 1.00 0.00 O ATOM 726 CB ASP A 48 -11.805 18.427 -3.185 1.00 0.00 C ATOM 727 CG ASP A 48 -10.692 19.456 -3.404 1.00 0.00 C ATOM 728 OD1 ASP A 48 -9.732 19.429 -2.651 1.00 0.00 O ATOM 729 OD2 ASP A 48 -10.820 20.252 -4.319 1.00 0.00 O ATOM 0 H ASP A 48 -10.085 16.865 -4.371 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.896 17.379 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.290 18.194 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.571 18.839 -2.528 1.00 0.00 H new ATOM 734 N GLN A 49 -12.472 15.423 -3.688 1.00 0.00 N ATOM 735 CA GLN A 49 -13.477 14.315 -3.764 1.00 0.00 C ATOM 736 C GLN A 49 -12.963 13.098 -2.975 1.00 0.00 C ATOM 737 O GLN A 49 -13.629 12.588 -2.097 1.00 0.00 O ATOM 738 CB GLN A 49 -13.690 13.918 -5.227 1.00 0.00 C ATOM 739 CG GLN A 49 -14.332 15.083 -5.979 1.00 0.00 C ATOM 740 CD GLN A 49 -14.472 14.723 -7.459 1.00 0.00 C ATOM 741 OE1 GLN A 49 -14.043 15.560 -8.364 1.00 0.00 O flip ATOM 742 NE2 GLN A 49 -14.981 13.673 -7.795 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.980 15.623 -4.559 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.421 14.653 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.737 13.655 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.328 13.036 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.311 15.308 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.723 15.980 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.316 13.019 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.073 13.445 -8.785 1.00 0.00 H new ATOM 751 N TYR A 50 -11.780 12.630 -3.290 1.00 0.00 N ATOM 752 CA TYR A 50 -11.209 11.435 -2.581 1.00 0.00 C ATOM 753 C TYR A 50 -10.373 11.898 -1.379 1.00 0.00 C ATOM 754 O TYR A 50 -9.347 11.340 -1.057 1.00 0.00 O ATOM 755 CB TYR A 50 -10.346 10.648 -3.562 1.00 0.00 C ATOM 756 CG TYR A 50 -11.243 10.105 -4.647 1.00 0.00 C ATOM 757 CD1 TYR A 50 -12.047 8.977 -4.393 1.00 0.00 C ATOM 758 CD2 TYR A 50 -11.292 10.730 -5.906 1.00 0.00 C ATOM 759 CE1 TYR A 50 -12.897 8.475 -5.395 1.00 0.00 C ATOM 760 CE2 TYR A 50 -12.147 10.233 -6.908 1.00 0.00 C ATOM 761 CZ TYR A 50 -12.947 9.105 -6.652 1.00 0.00 C ATOM 762 OH TYR A 50 -13.784 8.613 -7.634 1.00 0.00 O ATOM 0 H TYR A 50 -11.179 13.025 -4.013 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.012 10.796 -2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.576 11.290 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.833 9.834 -3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.011 8.496 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.673 11.592 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.510 7.608 -5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.189 10.717 -7.872 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.700 9.163 -8.441 1.00 0.00 H new ATOM 772 N ARG A 51 -10.822 12.943 -0.754 1.00 0.00 N ATOM 773 CA ARG A 51 -10.135 13.555 0.426 1.00 0.00 C ATOM 774 C ARG A 51 -10.096 12.609 1.634 1.00 0.00 C ATOM 775 O ARG A 51 -9.120 12.599 2.361 1.00 0.00 O ATOM 776 CB ARG A 51 -10.890 14.859 0.828 1.00 0.00 C ATOM 777 CG ARG A 51 -12.348 14.557 1.199 1.00 0.00 C ATOM 778 CD ARG A 51 -13.064 15.862 1.569 1.00 0.00 C ATOM 779 NE ARG A 51 -14.485 15.572 1.908 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.297 16.548 2.213 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.864 17.776 2.209 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.538 16.288 2.522 1.00 0.00 N ATOM 0 H ARG A 51 -11.680 13.426 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.105 13.767 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.386 15.330 1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.861 15.570 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.855 14.077 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.384 13.860 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.566 16.334 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.014 16.565 0.737 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.824 14.610 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.893 17.974 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.496 18.540 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.872 15.324 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.174 17.049 2.761 1.00 0.00 H new ATOM 796 N ARG A 52 -11.124 11.861 1.921 1.00 0.00 N ATOM 797 CA ARG A 52 -11.019 10.993 3.121 1.00 0.00 C ATOM 798 C ARG A 52 -10.169 9.778 2.796 1.00 0.00 C ATOM 799 O ARG A 52 -9.695 9.081 3.673 1.00 0.00 O ATOM 800 CB ARG A 52 -12.421 10.542 3.546 1.00 0.00 C ATOM 801 CG ARG A 52 -13.102 11.632 4.392 1.00 0.00 C ATOM 802 CD ARG A 52 -12.665 11.519 5.858 1.00 0.00 C ATOM 803 NE ARG A 52 -13.465 12.460 6.690 1.00 0.00 N ATOM 804 CZ ARG A 52 -13.098 12.719 7.912 1.00 0.00 C ATOM 805 NH1 ARG A 52 -12.038 12.146 8.412 1.00 0.00 N ATOM 806 NH2 ARG A 52 -13.798 13.549 8.643 1.00 0.00 N ATOM 0 H ARG A 52 -11.999 11.813 1.399 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.554 11.550 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.024 10.328 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.354 9.617 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.844 12.617 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.185 11.534 4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.803 10.497 6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.603 11.748 5.951 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.299 12.901 6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.495 11.494 7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.752 12.350 9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.631 13.993 8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.511 13.752 9.600 1.00 0.00 H new ATOM 820 N HIS A 53 -9.993 9.511 1.535 1.00 0.00 N ATOM 821 CA HIS A 53 -9.195 8.331 1.102 1.00 0.00 C ATOM 822 C HIS A 53 -7.901 8.170 1.906 1.00 0.00 C ATOM 823 O HIS A 53 -6.948 8.897 1.713 1.00 0.00 O ATOM 824 CB HIS A 53 -8.865 8.547 -0.344 1.00 0.00 C ATOM 825 CG HIS A 53 -8.657 7.209 -1.004 1.00 0.00 C ATOM 826 ND1 HIS A 53 -9.113 6.945 -2.289 1.00 0.00 N ATOM 827 CD2 HIS A 53 -8.067 6.050 -0.571 1.00 0.00 C ATOM 828 CE1 HIS A 53 -8.791 5.672 -2.580 1.00 0.00 C ATOM 829 NE2 HIS A 53 -8.155 5.085 -1.567 1.00 0.00 N ATOM 0 H HIS A 53 -10.375 10.070 0.772 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.773 7.422 1.265 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.672 9.089 -0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.967 9.157 -0.438 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -9.603 7.598 -2.901 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.605 5.909 0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.019 5.186 -3.517 1.00 0.00 H new ATOM 838 N SER A 54 -7.846 7.210 2.790 1.00 0.00 N ATOM 839 CA SER A 54 -6.604 7.005 3.595 1.00 0.00 C ATOM 840 C SER A 54 -5.407 6.633 2.691 1.00 0.00 C ATOM 841 O SER A 54 -4.306 7.104 2.885 1.00 0.00 O ATOM 842 CB SER A 54 -6.840 5.875 4.599 1.00 0.00 C ATOM 843 OG SER A 54 -5.594 5.482 5.165 1.00 0.00 O ATOM 0 H SER A 54 -8.605 6.559 2.990 1.00 0.00 H new ATOM 0 HA SER A 54 -6.371 7.936 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.521 6.206 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.312 5.026 4.104 1.00 0.00 H new ATOM 0 HG SER A 54 -5.741 4.759 5.810 1.00 0.00 H new ATOM 849 N LEU A 55 -5.604 5.766 1.729 1.00 0.00 N ATOM 850 CA LEU A 55 -4.469 5.332 0.838 1.00 0.00 C ATOM 851 C LEU A 55 -3.832 6.553 0.133 1.00 0.00 C ATOM 852 O LEU A 55 -2.716 6.490 -0.415 1.00 0.00 O ATOM 853 CB LEU A 55 -4.997 4.416 -0.317 1.00 0.00 C ATOM 854 CG LEU A 55 -5.684 3.093 0.143 1.00 0.00 C ATOM 855 CD1 LEU A 55 -5.795 2.110 -1.036 1.00 0.00 C ATOM 856 CD2 LEU A 55 -4.875 2.443 1.267 1.00 0.00 C ATOM 0 H LEU A 55 -6.504 5.335 1.517 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.752 4.812 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.708 4.986 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.161 4.164 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.683 3.333 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.276 1.192 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.389 2.561 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.798 1.880 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.364 1.520 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.870 2.218 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.814 3.127 2.114 1.00 0.00 H new ATOM 868 N PHE A 56 -4.503 7.664 0.053 1.00 0.00 N ATOM 869 CA PHE A 56 -3.846 8.744 -0.672 1.00 0.00 C ATOM 870 C PHE A 56 -2.484 9.046 -0.037 1.00 0.00 C ATOM 871 O PHE A 56 -2.404 9.316 1.135 1.00 0.00 O ATOM 872 CB PHE A 56 -4.818 9.892 -0.589 1.00 0.00 C ATOM 873 CG PHE A 56 -4.183 11.220 -1.017 1.00 0.00 C ATOM 874 CD1 PHE A 56 -3.301 11.932 -0.163 1.00 0.00 C ATOM 875 CD2 PHE A 56 -4.431 11.728 -2.319 1.00 0.00 C ATOM 876 CE1 PHE A 56 -2.701 13.117 -0.615 1.00 0.00 C ATOM 877 CE2 PHE A 56 -3.812 12.902 -2.754 1.00 0.00 C ATOM 878 CZ PHE A 56 -2.956 13.595 -1.903 1.00 0.00 C ATOM 0 H PHE A 56 -5.428 7.854 0.440 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.623 8.509 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.680 9.683 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.187 9.980 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.093 11.563 0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.105 11.202 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.037 13.664 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.998 13.272 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.486 14.507 -2.240 1.00 0.00 H new ATOM 888 N GLY A 57 -1.466 9.083 -0.834 1.00 0.00 N ATOM 889 CA GLY A 57 -0.048 9.416 -0.423 1.00 0.00 C ATOM 890 C GLY A 57 0.734 8.403 0.438 1.00 0.00 C ATOM 891 O GLY A 57 1.659 8.828 1.140 1.00 0.00 O ATOM 0 H GLY A 57 -1.550 8.883 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.527 9.589 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.075 10.360 0.121 1.00 0.00 H new ATOM 895 N THR A 58 0.473 7.118 0.471 1.00 0.00 N ATOM 896 CA THR A 58 1.363 6.354 1.413 1.00 0.00 C ATOM 897 C THR A 58 2.521 5.815 0.523 1.00 0.00 C ATOM 898 O THR A 58 3.578 5.527 0.967 1.00 0.00 O ATOM 899 CB THR A 58 0.475 5.209 1.949 1.00 0.00 C ATOM 900 OG1 THR A 58 -0.585 5.780 2.697 1.00 0.00 O ATOM 901 CG2 THR A 58 1.275 4.269 2.867 1.00 0.00 C ATOM 0 H THR A 58 -0.237 6.604 -0.050 1.00 0.00 H new ATOM 0 HA THR A 58 1.777 6.922 2.246 1.00 0.00 H new ATOM 0 HB THR A 58 0.098 4.631 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.161 5.067 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.624 3.473 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.104 3.834 2.309 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.665 4.833 3.715 1.00 0.00 H new ATOM 909 N GLY A 59 2.324 5.797 -0.765 1.00 0.00 N ATOM 910 CA GLY A 59 3.338 5.338 -1.783 1.00 0.00 C ATOM 911 C GLY A 59 4.311 6.431 -2.001 1.00 0.00 C ATOM 912 O GLY A 59 5.237 6.356 -2.786 1.00 0.00 O ATOM 0 H GLY A 59 1.446 6.100 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.848 4.441 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.844 5.078 -2.719 1.00 0.00 H new ATOM 916 N LYS A 60 4.044 7.449 -1.305 1.00 0.00 N ATOM 917 CA LYS A 60 4.833 8.689 -1.355 1.00 0.00 C ATOM 918 C LYS A 60 6.341 8.443 -1.019 1.00 0.00 C ATOM 919 O LYS A 60 7.204 8.993 -1.673 1.00 0.00 O ATOM 920 CB LYS A 60 4.179 9.621 -0.292 1.00 0.00 C ATOM 921 CG LYS A 60 4.822 11.086 -0.272 1.00 0.00 C ATOM 922 CD LYS A 60 4.062 11.974 0.734 1.00 0.00 C ATOM 923 CE LYS A 60 4.383 11.564 2.186 1.00 0.00 C ATOM 924 NZ LYS A 60 3.352 10.598 2.664 1.00 0.00 N ATOM 0 H LYS A 60 3.260 7.489 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 60 4.825 9.121 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.111 9.701 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.284 9.169 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.875 11.028 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.777 11.527 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.332 13.019 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.989 11.893 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.373 11.112 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.400 12.444 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.724 11.070 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.793 10.258 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.819 9.791 3.125 1.00 0.00 H new ATOM 938 N ASP A 61 6.662 7.631 -0.045 1.00 0.00 N ATOM 939 CA ASP A 61 8.114 7.352 0.310 1.00 0.00 C ATOM 940 C ASP A 61 8.770 6.524 -0.812 1.00 0.00 C ATOM 941 O ASP A 61 9.977 6.397 -0.881 1.00 0.00 O ATOM 942 CB ASP A 61 8.219 6.599 1.637 1.00 0.00 C ATOM 943 CG ASP A 61 7.333 5.349 1.580 1.00 0.00 C ATOM 944 OD1 ASP A 61 6.478 5.288 0.713 1.00 0.00 O ATOM 945 OD2 ASP A 61 7.526 4.469 2.407 1.00 0.00 O ATOM 0 H ASP A 61 5.983 7.137 0.534 1.00 0.00 H new ATOM 0 HA ASP A 61 8.633 8.305 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.254 6.317 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.907 7.243 2.460 1.00 0.00 H new ATOM 950 N GLN A 62 7.973 5.879 -1.611 1.00 0.00 N ATOM 951 CA GLN A 62 8.506 4.974 -2.683 1.00 0.00 C ATOM 952 C GLN A 62 8.672 5.680 -3.996 1.00 0.00 C ATOM 953 O GLN A 62 7.889 6.506 -4.403 1.00 0.00 O ATOM 954 CB GLN A 62 7.440 3.923 -2.933 1.00 0.00 C ATOM 955 CG GLN A 62 7.281 3.039 -1.639 1.00 0.00 C ATOM 956 CD GLN A 62 6.561 1.722 -1.969 1.00 0.00 C ATOM 957 OE1 GLN A 62 6.015 1.568 -3.144 1.00 0.00 O flip ATOM 958 NE2 GLN A 62 6.495 0.828 -1.149 1.00 0.00 N flip ATOM 0 H GLN A 62 6.955 5.936 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 62 9.469 4.586 -2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.492 4.400 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.717 3.300 -3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.262 2.827 -1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.719 3.588 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.921 0.946 -0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.013 -0.041 -1.380 1.00 0.00 H new ATOM 967 N THR A 63 9.691 5.308 -4.686 1.00 0.00 N ATOM 968 CA THR A 63 9.925 5.916 -5.990 1.00 0.00 C ATOM 969 C THR A 63 8.942 5.352 -7.011 1.00 0.00 C ATOM 970 O THR A 63 8.252 4.392 -6.772 1.00 0.00 O ATOM 971 CB THR A 63 11.392 5.713 -6.425 1.00 0.00 C ATOM 972 OG1 THR A 63 11.638 4.321 -6.573 1.00 0.00 O ATOM 973 CG2 THR A 63 12.349 6.287 -5.371 1.00 0.00 C ATOM 0 H THR A 63 10.372 4.606 -4.398 1.00 0.00 H new ATOM 0 HA THR A 63 9.755 6.991 -5.924 1.00 0.00 H new ATOM 0 HB THR A 63 11.560 6.231 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.567 4.181 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.379 6.135 -5.694 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.160 7.354 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.189 5.780 -4.419 1.00 0.00 H new ATOM 981 N GLU A 64 8.943 5.969 -8.157 1.00 0.00 N ATOM 982 CA GLU A 64 8.091 5.584 -9.325 1.00 0.00 C ATOM 983 C GLU A 64 8.352 4.147 -9.853 1.00 0.00 C ATOM 984 O GLU A 64 7.421 3.439 -10.138 1.00 0.00 O ATOM 985 CB GLU A 64 8.403 6.578 -10.458 1.00 0.00 C ATOM 986 CG GLU A 64 7.374 6.446 -11.587 1.00 0.00 C ATOM 987 CD GLU A 64 6.043 7.049 -11.137 1.00 0.00 C ATOM 988 OE1 GLU A 64 6.005 7.610 -10.053 1.00 0.00 O ATOM 989 OE2 GLU A 64 5.086 6.942 -11.883 1.00 0.00 O ATOM 0 H GLU A 64 9.538 6.776 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 64 7.051 5.609 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.396 7.596 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.404 6.393 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.732 6.956 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.240 5.397 -11.850 1.00 0.00 H new ATOM 996 N SER A 65 9.574 3.722 -10.058 1.00 0.00 N ATOM 997 CA SER A 65 9.807 2.375 -10.589 1.00 0.00 C ATOM 998 C SER A 65 9.438 1.313 -9.565 1.00 0.00 C ATOM 999 O SER A 65 9.025 0.256 -9.914 1.00 0.00 O ATOM 1000 CB SER A 65 11.289 2.279 -10.954 1.00 0.00 C ATOM 1001 OG SER A 65 12.072 2.536 -9.798 1.00 0.00 O ATOM 0 H SER A 65 10.417 4.266 -9.874 1.00 0.00 H new ATOM 0 HA SER A 65 9.183 2.202 -11.466 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.515 1.288 -11.348 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.530 2.997 -11.738 1.00 0.00 H new ATOM 0 HG SER A 65 13.023 2.474 -10.027 1.00 0.00 H new ATOM 1007 N TRP A 66 9.516 1.567 -8.306 1.00 0.00 N ATOM 1008 CA TRP A 66 9.135 0.500 -7.336 1.00 0.00 C ATOM 1009 C TRP A 66 7.675 0.218 -7.602 1.00 0.00 C ATOM 1010 O TRP A 66 7.229 -0.869 -7.704 1.00 0.00 O ATOM 1011 CB TRP A 66 9.368 0.926 -5.886 1.00 0.00 C ATOM 1012 CG TRP A 66 9.241 -0.252 -5.010 1.00 0.00 C ATOM 1013 CD1 TRP A 66 8.088 -0.734 -4.545 1.00 0.00 C ATOM 1014 CD2 TRP A 66 10.292 -1.068 -4.446 1.00 0.00 C ATOM 1015 NE1 TRP A 66 8.350 -1.867 -3.794 1.00 0.00 N ATOM 1016 CE2 TRP A 66 9.702 -2.082 -3.667 1.00 0.00 C ATOM 1017 CE3 TRP A 66 11.695 -1.029 -4.546 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 10.477 -3.024 -2.993 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 12.476 -1.970 -3.868 1.00 0.00 C ATOM 1020 CH2 TRP A 66 11.871 -2.967 -3.085 1.00 0.00 C ATOM 0 H TRP A 66 9.821 2.451 -7.898 1.00 0.00 H new ATOM 0 HA TRP A 66 9.751 -0.389 -7.470 1.00 0.00 H new ATOM 0 HB2 TRP A 66 10.358 1.369 -5.779 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.645 1.689 -5.597 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.111 -0.310 -4.725 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.632 -2.466 -3.387 1.00 0.00 H new ATOM 0 HE3 TRP A 66 12.170 -0.269 -5.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 10.003 -3.794 -2.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.552 -1.930 -3.947 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.480 -3.686 -2.557 1.00 0.00 H new ATOM 1031 N TRP A 67 6.921 1.242 -7.698 1.00 0.00 N ATOM 1032 CA TRP A 67 5.490 1.045 -7.891 1.00 0.00 C ATOM 1033 C TRP A 67 5.396 0.330 -9.266 1.00 0.00 C ATOM 1034 O TRP A 67 4.775 -0.722 -9.400 1.00 0.00 O ATOM 1035 CB TRP A 67 4.771 2.409 -7.869 1.00 0.00 C ATOM 1036 CG TRP A 67 4.287 2.818 -6.457 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.711 3.872 -5.672 1.00 0.00 C ATOM 1038 CD2 TRP A 67 3.258 2.154 -5.652 1.00 0.00 C ATOM 1039 NE1 TRP A 67 3.983 3.912 -4.512 1.00 0.00 N ATOM 1040 CE2 TRP A 67 3.084 2.870 -4.430 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.448 1.012 -5.871 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 2.150 2.469 -3.468 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.510 0.600 -4.901 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.363 1.327 -3.701 1.00 0.00 C ATOM 0 H TRP A 67 7.233 2.212 -7.651 1.00 0.00 H new ATOM 0 HA TRP A 67 5.009 0.455 -7.111 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.446 3.175 -8.251 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.915 2.373 -8.543 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.499 4.562 -5.934 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.093 4.628 -3.794 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.550 0.452 -6.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.034 3.032 -2.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.902 -0.275 -5.078 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.645 1.006 -2.960 1.00 0.00 H new ATOM 1055 N LYS A 68 6.113 0.826 -10.257 1.00 0.00 N ATOM 1056 CA LYS A 68 6.114 0.153 -11.617 1.00 0.00 C ATOM 1057 C LYS A 68 6.300 -1.336 -11.389 1.00 0.00 C ATOM 1058 O LYS A 68 5.419 -2.146 -11.592 1.00 0.00 O ATOM 1059 CB LYS A 68 7.286 0.687 -12.532 1.00 0.00 C ATOM 1060 CG LYS A 68 7.217 0.200 -14.042 1.00 0.00 C ATOM 1061 CD LYS A 68 6.059 0.905 -14.814 1.00 0.00 C ATOM 1062 CE LYS A 68 6.085 0.517 -16.302 1.00 0.00 C ATOM 1063 NZ LYS A 68 7.309 1.072 -16.943 1.00 0.00 N ATOM 0 H LYS A 68 6.695 1.661 -10.189 1.00 0.00 H new ATOM 0 HA LYS A 68 5.175 0.370 -12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.276 1.777 -12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.237 0.370 -12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.166 0.408 -14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.072 -0.880 -14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.100 0.626 -14.377 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.153 1.986 -14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.069 -0.568 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.195 0.898 -16.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.180 1.097 -17.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.478 2.036 -16.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.125 0.471 -16.711 1.00 0.00 H new ATOM 1077 N ALA A 69 7.479 -1.672 -11.003 1.00 0.00 N ATOM 1078 CA ALA A 69 7.841 -3.062 -10.774 1.00 0.00 C ATOM 1079 C ALA A 69 6.835 -3.718 -9.824 1.00 0.00 C ATOM 1080 O ALA A 69 6.487 -4.858 -9.997 1.00 0.00 O ATOM 1081 CB ALA A 69 9.257 -3.117 -10.206 1.00 0.00 C ATOM 0 H ALA A 69 8.233 -1.007 -10.832 1.00 0.00 H new ATOM 0 HA ALA A 69 7.817 -3.615 -11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.539 -4.155 -10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.951 -2.668 -10.916 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.293 -2.567 -9.265 1.00 0.00 H new ATOM 1087 N PHE A 70 6.354 -3.009 -8.836 1.00 0.00 N ATOM 1088 CA PHE A 70 5.357 -3.624 -7.879 1.00 0.00 C ATOM 1089 C PHE A 70 4.101 -4.054 -8.637 1.00 0.00 C ATOM 1090 O PHE A 70 3.591 -5.139 -8.451 1.00 0.00 O ATOM 1091 CB PHE A 70 4.937 -2.599 -6.847 1.00 0.00 C ATOM 1092 CG PHE A 70 4.064 -3.167 -5.751 1.00 0.00 C ATOM 1093 CD1 PHE A 70 4.490 -4.312 -5.052 1.00 0.00 C ATOM 1094 CD2 PHE A 70 2.800 -2.606 -5.484 1.00 0.00 C ATOM 1095 CE1 PHE A 70 3.655 -4.895 -4.082 1.00 0.00 C ATOM 1096 CE2 PHE A 70 1.969 -3.184 -4.508 1.00 0.00 C ATOM 1097 CZ PHE A 70 2.393 -4.331 -3.812 1.00 0.00 C ATOM 0 H PHE A 70 6.599 -2.038 -8.643 1.00 0.00 H new ATOM 0 HA PHE A 70 5.828 -4.483 -7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.829 -2.160 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.401 -1.792 -7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.458 -4.743 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.470 -1.733 -6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.981 -5.774 -3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.005 -2.747 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.750 -4.780 -3.070 1.00 0.00 H new ATOM 1107 N SER A 71 3.596 -3.197 -9.496 1.00 0.00 N ATOM 1108 CA SER A 71 2.376 -3.568 -10.262 1.00 0.00 C ATOM 1109 C SER A 71 2.642 -4.853 -11.057 1.00 0.00 C ATOM 1110 O SER A 71 1.800 -5.723 -11.159 1.00 0.00 O ATOM 1111 CB SER A 71 2.017 -2.440 -11.227 1.00 0.00 C ATOM 1112 OG SER A 71 1.763 -1.251 -10.491 1.00 0.00 O ATOM 0 H SER A 71 3.975 -2.271 -9.693 1.00 0.00 H new ATOM 0 HA SER A 71 1.550 -3.732 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.832 -2.277 -11.932 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.139 -2.713 -11.812 1.00 0.00 H new ATOM 0 HG SER A 71 2.609 -0.887 -10.156 1.00 0.00 H new ATOM 1118 N ARG A 72 3.816 -4.959 -11.617 1.00 0.00 N ATOM 1119 CA ARG A 72 4.171 -6.172 -12.411 1.00 0.00 C ATOM 1120 C ARG A 72 4.069 -7.433 -11.534 1.00 0.00 C ATOM 1121 O ARG A 72 3.593 -8.464 -11.964 1.00 0.00 O ATOM 1122 CB ARG A 72 5.608 -5.979 -12.940 1.00 0.00 C ATOM 1123 CG ARG A 72 6.045 -7.153 -13.826 1.00 0.00 C ATOM 1124 CD ARG A 72 7.401 -6.837 -14.463 1.00 0.00 C ATOM 1125 NE ARG A 72 7.249 -5.704 -15.420 1.00 0.00 N ATOM 1126 CZ ARG A 72 8.144 -5.510 -16.351 1.00 0.00 C ATOM 1127 NH1 ARG A 72 9.175 -6.311 -16.441 1.00 0.00 N ATOM 1128 NH2 ARG A 72 8.008 -4.522 -17.191 1.00 0.00 N ATOM 0 H ARG A 72 4.550 -4.253 -11.559 1.00 0.00 H new ATOM 0 HA ARG A 72 3.482 -6.302 -13.245 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.665 -5.051 -13.509 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.296 -5.880 -12.100 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.114 -8.064 -13.232 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.301 -7.334 -14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.126 -6.580 -13.691 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.785 -7.716 -14.981 1.00 0.00 H new ATOM 0 HE ARG A 72 6.445 -5.080 -15.348 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.278 -7.085 -15.785 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.875 -6.161 -17.167 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.202 -3.900 -17.121 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.707 -4.371 -17.918 1.00 0.00 H new ATOM 1142 N GLN A 73 4.523 -7.361 -10.316 1.00 0.00 N ATOM 1143 CA GLN A 73 4.460 -8.547 -9.409 1.00 0.00 C ATOM 1144 C GLN A 73 3.025 -9.114 -9.329 1.00 0.00 C ATOM 1145 O GLN A 73 2.819 -10.318 -9.338 1.00 0.00 O ATOM 1146 CB GLN A 73 4.886 -8.124 -7.987 1.00 0.00 C ATOM 1147 CG GLN A 73 6.361 -7.719 -7.930 1.00 0.00 C ATOM 1148 CD GLN A 73 6.768 -7.497 -6.440 1.00 0.00 C ATOM 1149 OE1 GLN A 73 6.147 -8.038 -5.552 1.00 0.00 O ATOM 1150 NE2 GLN A 73 7.774 -6.691 -6.130 1.00 0.00 N ATOM 0 H GLN A 73 4.939 -6.526 -9.903 1.00 0.00 H new ATOM 0 HA GLN A 73 5.126 -9.312 -9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.267 -7.290 -7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.708 -8.947 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.982 -8.494 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.524 -6.807 -8.505 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.304 -6.230 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.018 -6.532 -5.152 1.00 0.00 H new ATOM 1159 N LEU A 74 2.039 -8.254 -9.212 1.00 0.00 N ATOM 1160 CA LEU A 74 0.611 -8.718 -9.095 1.00 0.00 C ATOM 1161 C LEU A 74 0.115 -9.452 -10.352 1.00 0.00 C ATOM 1162 O LEU A 74 -0.639 -10.400 -10.264 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.288 -7.496 -8.849 1.00 0.00 C ATOM 1164 CG LEU A 74 -0.067 -6.957 -7.407 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.499 -5.471 -7.313 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.854 -7.798 -6.361 1.00 0.00 C ATOM 0 H LEU A 74 2.160 -7.241 -9.192 1.00 0.00 H new ATOM 0 HA LEU A 74 0.565 -9.424 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.063 -6.716 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.334 -7.769 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 74 0.997 -7.039 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.338 -5.109 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.092 -4.876 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.555 -5.382 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.678 -7.395 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.919 -7.755 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.517 -8.834 -6.399 1.00 0.00 H new ATOM 1178 N ILE A 75 0.482 -8.991 -11.512 1.00 0.00 N ATOM 1179 CA ILE A 75 -0.012 -9.646 -12.766 1.00 0.00 C ATOM 1180 C ILE A 75 0.452 -11.107 -12.876 1.00 0.00 C ATOM 1181 O ILE A 75 -0.313 -11.981 -13.238 1.00 0.00 O ATOM 1182 CB ILE A 75 0.511 -8.866 -13.972 1.00 0.00 C ATOM 1183 CG1 ILE A 75 -0.056 -7.442 -13.936 1.00 0.00 C ATOM 1184 CG2 ILE A 75 0.075 -9.559 -15.263 1.00 0.00 C ATOM 1185 CD1 ILE A 75 0.652 -6.576 -14.981 1.00 0.00 C ATOM 0 H ILE A 75 1.100 -8.192 -11.653 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.102 -9.642 -12.739 1.00 0.00 H new ATOM 0 HB ILE A 75 1.600 -8.828 -13.937 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.128 -7.462 -14.133 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.078 -7.012 -12.943 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.450 -9.000 -16.120 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.477 -10.572 -15.286 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.013 -9.600 -15.304 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.246 -5.565 -14.952 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.720 -6.544 -14.764 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.495 -7.001 -15.972 1.00 0.00 H new ATOM 1197 N THR A 76 1.701 -11.374 -12.616 1.00 0.00 N ATOM 1198 CA THR A 76 2.216 -12.777 -12.732 1.00 0.00 C ATOM 1199 C THR A 76 1.604 -13.693 -11.661 1.00 0.00 C ATOM 1200 O THR A 76 1.266 -14.825 -11.938 1.00 0.00 O ATOM 1201 CB THR A 76 3.741 -12.770 -12.584 1.00 0.00 C ATOM 1202 OG1 THR A 76 4.286 -11.762 -13.425 1.00 0.00 O ATOM 1203 CG2 THR A 76 4.310 -14.133 -12.985 1.00 0.00 C ATOM 0 H THR A 76 2.393 -10.683 -12.327 1.00 0.00 H new ATOM 0 HA THR A 76 1.931 -13.164 -13.710 1.00 0.00 H new ATOM 0 HB THR A 76 4.003 -12.567 -11.546 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.262 -11.752 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.395 -14.120 -12.877 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.890 -14.906 -12.341 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.051 -14.344 -14.022 1.00 0.00 H new ATOM 1211 N GLU A 77 1.484 -13.239 -10.444 1.00 0.00 N ATOM 1212 CA GLU A 77 0.929 -14.134 -9.378 1.00 0.00 C ATOM 1213 C GLU A 77 -0.484 -14.620 -9.741 1.00 0.00 C ATOM 1214 O GLU A 77 -0.920 -15.652 -9.273 1.00 0.00 O ATOM 1215 CB GLU A 77 0.875 -13.361 -8.055 1.00 0.00 C ATOM 1216 CG GLU A 77 2.299 -13.032 -7.593 1.00 0.00 C ATOM 1217 CD GLU A 77 2.233 -12.150 -6.349 1.00 0.00 C ATOM 1218 OE1 GLU A 77 1.136 -11.776 -5.967 1.00 0.00 O ATOM 1219 OE2 GLU A 77 3.280 -11.863 -5.792 1.00 0.00 O ATOM 0 H GLU A 77 1.741 -12.300 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 77 1.577 -15.006 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.302 -12.443 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.364 -13.954 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.844 -13.950 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.843 -12.521 -8.387 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.217 -13.893 -10.543 1.00 0.00 N ATOM 1227 CA GLY A 78 -2.600 -14.349 -10.901 1.00 0.00 C ATOM 1228 C GLY A 78 -3.599 -13.499 -10.115 1.00 0.00 C ATOM 1229 O GLY A 78 -4.751 -13.356 -10.476 1.00 0.00 O ATOM 0 H GLY A 78 -0.925 -13.011 -10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.770 -14.243 -11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.727 -15.405 -10.661 1.00 0.00 H new ATOM 1233 N PHE A 79 -3.129 -12.903 -9.058 1.00 0.00 N ATOM 1234 CA PHE A 79 -3.967 -12.019 -8.199 1.00 0.00 C ATOM 1235 C PHE A 79 -4.560 -10.899 -9.063 1.00 0.00 C ATOM 1236 O PHE A 79 -5.589 -10.342 -8.746 1.00 0.00 O ATOM 1237 CB PHE A 79 -3.021 -11.425 -7.147 1.00 0.00 C ATOM 1238 CG PHE A 79 -2.939 -12.318 -5.921 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.295 -13.566 -6.020 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -3.507 -11.920 -4.687 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -2.212 -14.412 -4.897 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -3.422 -12.769 -3.568 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.773 -14.013 -3.672 1.00 0.00 C ATOM 0 H PHE A 79 -2.164 -12.995 -8.742 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.787 -12.562 -7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.027 -11.299 -7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.371 -10.434 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.863 -13.876 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.005 -10.965 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.717 -15.368 -4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.856 -12.465 -2.627 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.706 -14.661 -2.811 1.00 0.00 H new ATOM 1253 N LEU A 80 -3.896 -10.534 -10.138 1.00 0.00 N ATOM 1254 CA LEU A 80 -4.417 -9.426 -11.004 1.00 0.00 C ATOM 1255 C LEU A 80 -4.446 -9.851 -12.487 1.00 0.00 C ATOM 1256 O LEU A 80 -3.529 -10.454 -13.008 1.00 0.00 O ATOM 1257 CB LEU A 80 -3.483 -8.203 -10.822 1.00 0.00 C ATOM 1258 CG LEU A 80 -3.922 -6.993 -11.672 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -5.327 -6.526 -11.257 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -2.897 -5.846 -11.551 1.00 0.00 C ATOM 0 H LEU A 80 -3.021 -10.954 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.438 -9.179 -10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.465 -7.917 -9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.465 -8.484 -11.093 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.963 -7.298 -12.718 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.621 -5.672 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.039 -7.339 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.319 -6.236 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.223 -5.001 -12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.819 -5.536 -10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.924 -6.189 -11.901 1.00 0.00 H new ATOM 1272 N VAL A 81 -5.510 -9.488 -13.154 1.00 0.00 N ATOM 1273 CA VAL A 81 -5.698 -9.810 -14.600 1.00 0.00 C ATOM 1274 C VAL A 81 -5.873 -8.467 -15.318 1.00 0.00 C ATOM 1275 O VAL A 81 -6.585 -7.619 -14.836 1.00 0.00 O ATOM 1276 CB VAL A 81 -6.957 -10.669 -14.789 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -8.209 -9.805 -14.587 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -6.965 -11.260 -16.207 1.00 0.00 C ATOM 0 H VAL A 81 -6.282 -8.964 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.850 -10.369 -14.996 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.956 -11.477 -14.057 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.100 -10.418 -14.722 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.205 -9.388 -13.580 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.213 -8.994 -15.315 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.858 -11.870 -16.342 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.964 -10.452 -16.938 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.079 -11.879 -16.348 1.00 0.00 H new ATOM 1288 N GLU A 82 -5.237 -8.235 -16.438 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.416 -6.900 -17.115 1.00 0.00 C ATOM 1290 C GLU A 82 -6.105 -7.048 -18.462 1.00 0.00 C ATOM 1291 O GLU A 82 -5.806 -7.948 -19.222 1.00 0.00 O ATOM 1292 CB GLU A 82 -4.047 -6.231 -17.296 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.449 -5.889 -15.926 1.00 0.00 C ATOM 1294 CD GLU A 82 -2.042 -5.311 -16.107 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.313 -5.826 -16.938 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.721 -4.361 -15.412 1.00 0.00 O ATOM 0 H GLU A 82 -4.614 -8.890 -16.910 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.050 -6.278 -16.484 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.376 -6.896 -17.840 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.151 -5.325 -17.894 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.085 -5.169 -15.410 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.408 -6.782 -15.303 1.00 0.00 H new ATOM 1303 N VAL A 83 -7.026 -6.160 -18.788 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.697 -6.281 -20.107 1.00 0.00 C ATOM 1305 C VAL A 83 -7.348 -5.050 -20.929 1.00 0.00 C ATOM 1306 O VAL A 83 -7.486 -3.897 -20.516 1.00 0.00 O ATOM 1307 CB VAL A 83 -9.208 -6.407 -19.928 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -9.907 -6.275 -21.284 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.534 -7.783 -19.329 1.00 0.00 C ATOM 0 H VAL A 83 -7.328 -5.379 -18.206 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.355 -7.178 -20.623 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.557 -5.617 -19.263 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.985 -6.366 -21.148 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.677 -5.302 -21.719 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.558 -7.063 -21.952 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.612 -7.877 -19.199 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.179 -8.565 -20.000 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.042 -7.884 -18.362 1.00 0.00 H new ATOM 1319 N SER A 84 -6.937 -5.327 -22.113 1.00 0.00 N ATOM 1320 CA SER A 84 -6.563 -4.281 -23.071 1.00 0.00 C ATOM 1321 C SER A 84 -7.798 -3.792 -23.787 1.00 0.00 C ATOM 1322 O SER A 84 -7.740 -2.836 -24.513 1.00 0.00 O ATOM 1323 CB SER A 84 -5.503 -4.776 -24.058 1.00 0.00 C ATOM 1324 OG SER A 84 -5.112 -3.702 -24.901 1.00 0.00 O ATOM 0 H SER A 84 -6.841 -6.277 -22.472 1.00 0.00 H new ATOM 0 HA SER A 84 -6.118 -3.448 -22.526 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.639 -5.163 -23.518 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.900 -5.597 -24.655 1.00 0.00 H new ATOM 0 HG SER A 84 -5.873 -3.101 -25.039 1.00 0.00 H new ATOM 1330 N ARG A 85 -8.904 -4.487 -23.688 1.00 0.00 N ATOM 1331 CA ARG A 85 -10.104 -4.054 -24.464 1.00 0.00 C ATOM 1332 C ARG A 85 -10.848 -2.979 -23.667 1.00 0.00 C ATOM 1333 O ARG A 85 -11.985 -2.615 -23.885 1.00 0.00 O ATOM 1334 CB ARG A 85 -11.026 -5.264 -24.684 1.00 0.00 C ATOM 1335 CG ARG A 85 -10.383 -6.279 -25.677 1.00 0.00 C ATOM 1336 CD ARG A 85 -11.297 -7.501 -25.853 1.00 0.00 C ATOM 1337 NE ARG A 85 -10.679 -8.458 -26.812 1.00 0.00 N ATOM 1338 CZ ARG A 85 -11.298 -9.567 -27.113 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -12.452 -9.838 -26.568 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -10.764 -10.406 -27.957 1.00 0.00 N ATOM 0 H ARG A 85 -9.027 -5.321 -23.114 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.800 -3.650 -25.430 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.222 -5.755 -23.731 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.987 -4.928 -25.073 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.216 -5.799 -26.641 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.409 -6.595 -25.305 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.458 -7.988 -24.891 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.275 -7.186 -26.218 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.774 -8.247 -27.233 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.870 -9.183 -25.907 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.936 -10.705 -26.803 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.861 -10.196 -28.383 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.249 -11.272 -28.191 1.00 0.00 H new ATOM 1354 N TYR A 86 -10.138 -2.604 -22.640 1.00 0.00 N ATOM 1355 CA TYR A 86 -10.560 -1.660 -21.574 1.00 0.00 C ATOM 1356 C TYR A 86 -9.440 -0.693 -21.142 1.00 0.00 C ATOM 1357 O TYR A 86 -8.397 -1.084 -20.662 1.00 0.00 O ATOM 1358 CB TYR A 86 -10.966 -2.545 -20.361 1.00 0.00 C ATOM 1359 CG TYR A 86 -12.422 -2.971 -20.479 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -12.787 -4.020 -21.349 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -13.409 -2.311 -19.719 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -14.135 -4.408 -21.454 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -14.756 -2.704 -19.825 1.00 0.00 C ATOM 1364 CZ TYR A 86 -15.120 -3.750 -20.694 1.00 0.00 C ATOM 1365 OH TYR A 86 -16.441 -4.133 -20.800 1.00 0.00 O ATOM 0 H TYR A 86 -9.191 -2.953 -22.491 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.372 -1.035 -21.945 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.325 -3.426 -20.315 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.816 -1.993 -19.433 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.032 -4.525 -21.934 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.132 -1.505 -19.056 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.415 -5.212 -22.119 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.512 -2.202 -19.239 1.00 0.00 H new ATOM 0 HH TYR A 86 -16.991 -3.579 -20.208 1.00 0.00 H new ATOM 1375 N ASN A 87 -9.688 0.569 -21.417 1.00 0.00 N ATOM 1376 CA ASN A 87 -8.752 1.721 -21.165 1.00 0.00 C ATOM 1377 C ASN A 87 -7.865 1.931 -22.400 1.00 0.00 C ATOM 1378 O ASN A 87 -6.766 1.419 -22.460 1.00 0.00 O ATOM 1379 CB ASN A 87 -7.864 1.457 -19.945 1.00 0.00 C ATOM 1380 CG ASN A 87 -8.707 1.552 -18.671 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -9.981 1.260 -18.726 1.00 0.00 O flip ATOM 1382 ND2 ASN A 87 -8.209 1.897 -17.620 1.00 0.00 N flip ATOM 0 H ASN A 87 -10.569 0.866 -21.838 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.348 2.612 -20.970 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.409 0.469 -20.020 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.050 2.181 -19.910 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.216 2.125 -17.577 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.784 1.959 -16.780 1.00 0.00 H new ATOM 1389 N LYS A 88 -8.263 2.773 -23.322 1.00 0.00 N ATOM 1390 CA LYS A 88 -7.357 3.079 -24.478 1.00 0.00 C ATOM 1391 C LYS A 88 -6.126 3.789 -23.896 1.00 0.00 C ATOM 1392 O LYS A 88 -5.140 4.045 -24.556 1.00 0.00 O ATOM 1393 CB LYS A 88 -8.064 4.014 -25.465 1.00 0.00 C ATOM 1394 CG LYS A 88 -7.150 4.312 -26.658 1.00 0.00 C ATOM 1395 CD LYS A 88 -6.535 5.702 -26.481 1.00 0.00 C ATOM 1396 CE LYS A 88 -7.532 6.757 -26.958 1.00 0.00 C ATOM 1397 NZ LYS A 88 -7.045 8.112 -26.571 1.00 0.00 N ATOM 0 H LYS A 88 -9.161 3.256 -23.328 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.080 2.168 -25.008 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.990 3.555 -25.812 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.337 4.943 -24.965 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.365 3.559 -26.728 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.718 4.267 -27.587 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.282 5.870 -25.434 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.608 5.778 -27.049 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.651 6.697 -28.040 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.512 6.572 -26.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.723 8.830 -26.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.953 8.165 -25.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.119 8.287 -27.011 1.00 0.00 H new ATOM 1411 N PHE A 89 -6.211 4.048 -22.613 1.00 0.00 N ATOM 1412 CA PHE A 89 -5.134 4.724 -21.825 1.00 0.00 C ATOM 1413 C PHE A 89 -4.051 3.665 -21.632 1.00 0.00 C ATOM 1414 O PHE A 89 -2.983 3.718 -22.199 1.00 0.00 O ATOM 1415 CB PHE A 89 -5.673 5.187 -20.471 1.00 0.00 C ATOM 1416 CG PHE A 89 -6.596 6.366 -20.676 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -6.064 7.662 -20.795 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -7.986 6.165 -20.758 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -6.924 8.763 -20.994 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -8.845 7.262 -20.955 1.00 0.00 C ATOM 1421 CZ PHE A 89 -8.313 8.562 -21.074 1.00 0.00 C ATOM 0 H PHE A 89 -7.028 3.804 -22.053 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.753 5.609 -22.334 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.208 4.373 -19.982 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.849 5.466 -19.815 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.997 7.815 -20.734 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.394 5.169 -20.670 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.516 9.759 -21.085 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.912 7.108 -21.015 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.973 9.404 -21.227 1.00 0.00 H new ATOM 1431 N MET A 90 -4.316 2.781 -20.721 1.00 0.00 N ATOM 1432 CA MET A 90 -3.349 1.720 -20.310 1.00 0.00 C ATOM 1433 C MET A 90 -3.939 0.515 -19.589 1.00 0.00 C ATOM 1434 O MET A 90 -4.033 0.444 -18.382 1.00 0.00 O ATOM 1435 CB MET A 90 -2.303 2.337 -19.371 1.00 0.00 C ATOM 1436 CG MET A 90 -1.097 1.383 -19.195 1.00 0.00 C ATOM 1437 SD MET A 90 0.175 2.194 -18.197 1.00 0.00 S ATOM 1438 CE MET A 90 1.163 2.852 -19.568 1.00 0.00 C ATOM 0 H MET A 90 -5.203 2.745 -20.219 1.00 0.00 H new ATOM 0 HA MET A 90 -2.939 1.347 -21.249 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.963 3.291 -19.774 1.00 0.00 H new ATOM 0 HB3 MET A 90 -2.755 2.544 -18.401 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.418 0.459 -18.713 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.691 1.110 -20.169 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.017 3.400 -19.171 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.517 2.029 -20.189 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.549 3.523 -20.170 1.00 0.00 H new ATOM 1448 N LYS A 91 -4.285 -0.455 -20.414 1.00 0.00 N ATOM 1449 CA LYS A 91 -4.820 -1.769 -19.964 1.00 0.00 C ATOM 1450 C LYS A 91 -5.562 -1.682 -18.646 1.00 0.00 C ATOM 1451 O LYS A 91 -4.943 -1.869 -17.624 1.00 0.00 O ATOM 1452 CB LYS A 91 -3.644 -2.792 -19.855 1.00 0.00 C ATOM 1453 CG LYS A 91 -2.662 -2.747 -21.087 1.00 0.00 C ATOM 1454 CD LYS A 91 -1.203 -2.455 -20.624 1.00 0.00 C ATOM 1455 CE LYS A 91 -0.275 -2.112 -21.817 1.00 0.00 C ATOM 1456 NZ LYS A 91 -0.292 -3.233 -22.793 1.00 0.00 N ATOM 0 H LYS A 91 -4.210 -0.373 -21.428 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.545 -2.102 -20.707 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.081 -2.592 -18.943 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.054 -3.798 -19.763 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.696 -3.698 -21.619 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.986 -1.978 -21.788 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.206 -1.626 -19.916 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.809 -3.323 -20.096 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.607 -1.192 -22.298 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.741 -1.938 -21.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.463 -3.094 -23.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.138 -4.131 -22.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.213 -3.259 -23.275 1.00 0.00 H new ATOM 1470 N ILE A 92 -6.879 -1.449 -18.566 1.00 0.00 N ATOM 1471 CA ILE A 92 -7.373 -1.433 -17.149 1.00 0.00 C ATOM 1472 C ILE A 92 -6.845 -2.525 -16.219 1.00 0.00 C ATOM 1473 O ILE A 92 -6.622 -3.654 -16.609 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.945 -1.372 -17.154 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -9.492 -0.487 -15.999 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.527 -2.793 -17.057 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -11.004 -0.243 -16.163 1.00 0.00 C ATOM 0 H ILE A 92 -7.546 -1.290 -19.321 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.947 -0.533 -16.705 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.257 -0.916 -18.093 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.299 -0.971 -15.042 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.965 0.467 -15.985 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -10.616 -2.741 -17.061 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.189 -3.384 -17.908 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.190 -3.262 -16.133 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.363 0.379 -15.343 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.190 0.263 -17.110 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.530 -1.198 -16.152 1.00 0.00 H new ATOM 1489 N CYS A 93 -6.811 -2.221 -14.928 1.00 0.00 N ATOM 1490 CA CYS A 93 -6.419 -3.260 -13.966 1.00 0.00 C ATOM 1491 C CYS A 93 -7.779 -3.876 -13.594 1.00 0.00 C ATOM 1492 O CYS A 93 -8.719 -3.154 -13.327 1.00 0.00 O ATOM 1493 CB CYS A 93 -5.743 -2.637 -12.735 1.00 0.00 C ATOM 1494 SG CYS A 93 -3.953 -2.549 -13.014 1.00 0.00 S ATOM 0 H CYS A 93 -7.037 -1.310 -14.529 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.701 -3.980 -14.358 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.143 -1.640 -12.552 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.955 -3.234 -11.848 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.377 -2.020 -11.975 1.00 0.00 H new ATOM 1500 N ALA A 94 -7.934 -5.166 -13.633 1.00 0.00 N ATOM 1501 CA ALA A 94 -9.268 -5.770 -13.311 1.00 0.00 C ATOM 1502 C ALA A 94 -9.178 -6.726 -12.127 1.00 0.00 C ATOM 1503 O ALA A 94 -8.305 -7.572 -12.045 1.00 0.00 O ATOM 1504 CB ALA A 94 -9.764 -6.541 -14.540 1.00 0.00 C ATOM 0 H ALA A 94 -7.201 -5.834 -13.873 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.957 -4.968 -13.047 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.734 -6.987 -14.322 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.860 -5.858 -15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.051 -7.327 -14.789 1.00 0.00 H new ATOM 1510 N LEU A 95 -10.103 -6.604 -11.212 1.00 0.00 N ATOM 1511 CA LEU A 95 -10.118 -7.496 -10.012 1.00 0.00 C ATOM 1512 C LEU A 95 -10.711 -8.848 -10.419 1.00 0.00 C ATOM 1513 O LEU A 95 -11.707 -8.912 -11.122 1.00 0.00 O ATOM 1514 CB LEU A 95 -10.958 -6.846 -8.894 1.00 0.00 C ATOM 1515 CG LEU A 95 -10.072 -5.986 -7.984 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -10.905 -4.869 -7.334 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -9.467 -6.877 -6.895 1.00 0.00 C ATOM 0 H LEU A 95 -10.857 -5.918 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.106 -7.644 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -11.743 -6.231 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.451 -7.620 -8.305 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.278 -5.530 -8.576 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.265 -4.265 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.337 -4.238 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.705 -5.311 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.835 -6.275 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.267 -7.330 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.868 -7.661 -7.358 1.00 0.00 H new ATOM 1529 N THR A 96 -10.110 -9.936 -10.000 1.00 0.00 N ATOM 1530 CA THR A 96 -10.631 -11.299 -10.361 1.00 0.00 C ATOM 1531 C THR A 96 -11.442 -11.878 -9.198 1.00 0.00 C ATOM 1532 O THR A 96 -11.485 -11.325 -8.114 1.00 0.00 O ATOM 1533 CB THR A 96 -9.444 -12.219 -10.657 1.00 0.00 C ATOM 1534 OG1 THR A 96 -8.452 -12.046 -9.651 1.00 0.00 O ATOM 1535 CG2 THR A 96 -8.858 -11.875 -12.025 1.00 0.00 C ATOM 0 H THR A 96 -9.273 -9.941 -9.418 1.00 0.00 H new ATOM 0 HA THR A 96 -11.275 -11.220 -11.237 1.00 0.00 H new ATOM 0 HB THR A 96 -9.778 -13.257 -10.662 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.631 -12.510 -9.918 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.013 -12.531 -12.234 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.621 -12.010 -12.792 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.522 -10.838 -12.026 1.00 0.00 H new ATOM 1543 N LYS A 97 -12.083 -12.996 -9.416 1.00 0.00 N ATOM 1544 CA LYS A 97 -12.903 -13.625 -8.337 1.00 0.00 C ATOM 1545 C LYS A 97 -12.007 -13.936 -7.138 1.00 0.00 C ATOM 1546 O LYS A 97 -12.397 -13.768 -5.999 1.00 0.00 O ATOM 1547 CB LYS A 97 -13.522 -14.924 -8.853 1.00 0.00 C ATOM 1548 CG LYS A 97 -14.326 -14.639 -10.132 1.00 0.00 C ATOM 1549 CD LYS A 97 -15.630 -13.889 -9.803 1.00 0.00 C ATOM 1550 CE LYS A 97 -16.463 -13.695 -11.072 1.00 0.00 C ATOM 1551 NZ LYS A 97 -17.705 -12.942 -10.743 1.00 0.00 N ATOM 0 H LYS A 97 -12.074 -13.504 -10.300 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.695 -12.939 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.740 -15.655 -9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.171 -15.357 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.724 -14.046 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.558 -15.576 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.204 -14.449 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.399 -12.921 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.884 -13.153 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.716 -14.663 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.270 -12.811 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.260 -13.476 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.454 -12.013 -10.349 1.00 0.00 H new ATOM 1565 N LYS A 98 -10.810 -14.392 -7.387 1.00 0.00 N ATOM 1566 CA LYS A 98 -9.878 -14.731 -6.273 1.00 0.00 C ATOM 1567 C LYS A 98 -9.575 -13.472 -5.454 1.00 0.00 C ATOM 1568 O LYS A 98 -9.542 -13.504 -4.240 1.00 0.00 O ATOM 1569 CB LYS A 98 -8.582 -15.356 -6.868 1.00 0.00 C ATOM 1570 CG LYS A 98 -7.933 -14.493 -7.982 1.00 0.00 C ATOM 1571 CD LYS A 98 -6.806 -15.268 -8.677 1.00 0.00 C ATOM 1572 CE LYS A 98 -5.678 -15.534 -7.674 1.00 0.00 C ATOM 1573 NZ LYS A 98 -4.423 -15.857 -8.407 1.00 0.00 N ATOM 0 H LYS A 98 -10.434 -14.546 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.334 -15.460 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.858 -15.504 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.816 -16.341 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.688 -14.205 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.538 -13.572 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.187 -16.210 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.427 -14.698 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.527 -14.659 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.950 -16.360 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.127 -16.827 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.589 -15.778 -9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.675 -15.192 -8.125 1.00 0.00 H new ATOM 1587 N GLY A 99 -9.289 -12.387 -6.103 1.00 0.00 N ATOM 1588 CA GLY A 99 -8.921 -11.148 -5.348 1.00 0.00 C ATOM 1589 C GLY A 99 -10.178 -10.425 -4.837 1.00 0.00 C ATOM 1590 O GLY A 99 -10.153 -9.860 -3.785 1.00 0.00 O ATOM 0 H GLY A 99 -9.291 -12.295 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.278 -11.407 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.349 -10.481 -5.993 1.00 0.00 H new ATOM 1594 N ARG A 100 -11.277 -10.466 -5.542 1.00 0.00 N ATOM 1595 CA ARG A 100 -12.521 -9.762 -5.050 1.00 0.00 C ATOM 1596 C ARG A 100 -12.958 -10.380 -3.716 1.00 0.00 C ATOM 1597 O ARG A 100 -13.358 -9.681 -2.753 1.00 0.00 O ATOM 1598 CB ARG A 100 -13.643 -9.935 -6.079 1.00 0.00 C ATOM 1599 CG ARG A 100 -14.877 -9.157 -5.623 1.00 0.00 C ATOM 1600 CD ARG A 100 -15.939 -9.190 -6.726 1.00 0.00 C ATOM 1601 NE ARG A 100 -15.459 -8.413 -7.900 1.00 0.00 N ATOM 1602 CZ ARG A 100 -16.219 -8.284 -8.955 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -17.395 -8.849 -8.984 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -15.799 -7.595 -9.977 1.00 0.00 N ATOM 0 H ARG A 100 -11.378 -10.951 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 100 -12.311 -8.701 -4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.314 -9.577 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.887 -10.991 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -15.276 -9.592 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -14.606 -8.126 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.144 -10.220 -7.017 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -16.875 -8.771 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 100 -14.535 -7.980 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.720 -9.391 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -17.989 -8.749 -9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -14.878 -7.157 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -16.391 -7.493 -10.801 1.00 0.00 H new ATOM 1618 N ASN A 101 -12.832 -11.692 -3.615 1.00 0.00 N ATOM 1619 CA ASN A 101 -13.211 -12.361 -2.349 1.00 0.00 C ATOM 1620 C ASN A 101 -12.265 -11.801 -1.310 1.00 0.00 C ATOM 1621 O ASN A 101 -12.657 -11.407 -0.237 1.00 0.00 O ATOM 1622 CB ASN A 101 -13.037 -13.882 -2.466 1.00 0.00 C ATOM 1623 CG ASN A 101 -14.203 -14.471 -3.267 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -15.351 -14.249 -2.943 1.00 0.00 O ATOM 1625 ND2 ASN A 101 -13.953 -15.217 -4.308 1.00 0.00 N ATOM 0 H ASN A 101 -12.487 -12.308 -4.351 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.256 -12.184 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -12.092 -14.114 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.000 -14.332 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.722 -15.613 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.988 -15.404 -4.581 1.00 0.00 H new ATOM 1632 N TRP A 102 -11.014 -11.644 -1.669 1.00 0.00 N ATOM 1633 CA TRP A 102 -10.076 -11.047 -0.700 1.00 0.00 C ATOM 1634 C TRP A 102 -10.528 -9.625 -0.294 1.00 0.00 C ATOM 1635 O TRP A 102 -10.421 -9.223 0.844 1.00 0.00 O ATOM 1636 CB TRP A 102 -8.658 -10.953 -1.288 1.00 0.00 C ATOM 1637 CG TRP A 102 -7.725 -10.606 -0.165 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -7.016 -11.496 0.539 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -7.472 -9.316 0.445 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -6.327 -10.842 1.545 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -6.570 -9.491 1.527 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -7.925 -8.017 0.162 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -6.139 -8.410 2.308 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -7.497 -6.929 0.940 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -6.609 -7.121 2.007 1.00 0.00 C ATOM 0 H TRP A 102 -10.619 -11.901 -2.574 1.00 0.00 H new ATOM 0 HA TRP A 102 -10.069 -11.696 0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.370 -11.899 -1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.617 -10.194 -2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -6.986 -12.559 0.351 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -5.715 -11.306 2.216 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.607 -7.854 -0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.455 -8.566 3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.855 -5.936 0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.286 -6.277 2.598 1.00 0.00 H new ATOM 1656 N LEU A 103 -11.012 -8.872 -1.263 1.00 0.00 N ATOM 1657 CA LEU A 103 -11.448 -7.460 -1.040 1.00 0.00 C ATOM 1658 C LEU A 103 -12.616 -7.414 -0.045 1.00 0.00 C ATOM 1659 O LEU A 103 -12.684 -6.544 0.803 1.00 0.00 O ATOM 1660 CB LEU A 103 -11.931 -6.873 -2.384 1.00 0.00 C ATOM 1661 CG LEU A 103 -12.389 -5.395 -2.219 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -11.221 -4.520 -1.752 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -12.899 -4.862 -3.565 1.00 0.00 C ATOM 0 H LEU A 103 -11.123 -9.194 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.610 -6.887 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.127 -6.928 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.756 -7.472 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.184 -5.360 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.559 -3.490 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.853 -4.886 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.418 -4.561 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.220 -3.827 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.099 -4.913 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.741 -5.467 -3.900 1.00 0.00 H new ATOM 1675 N HIS A 104 -13.548 -8.322 -0.146 1.00 0.00 N ATOM 1676 CA HIS A 104 -14.725 -8.296 0.777 1.00 0.00 C ATOM 1677 C HIS A 104 -14.680 -9.378 1.874 1.00 0.00 C ATOM 1678 O HIS A 104 -15.690 -9.638 2.500 1.00 0.00 O ATOM 1679 CB HIS A 104 -16.001 -8.495 -0.049 1.00 0.00 C ATOM 1680 CG HIS A 104 -16.249 -7.283 -0.910 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -16.925 -6.165 -0.440 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -15.918 -7.003 -2.215 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -16.982 -5.271 -1.450 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -16.383 -5.735 -2.550 1.00 0.00 N ATOM 0 H HIS A 104 -13.548 -9.082 -0.827 1.00 0.00 H new ATOM 0 HA HIS A 104 -14.706 -7.330 1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -15.905 -9.383 -0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -16.851 -8.662 0.613 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -15.380 -7.665 -2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -17.453 -4.302 -1.378 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -16.287 -5.260 -3.447 1.00 0.00 H new ATOM 1693 N LYS A 105 -13.568 -10.067 2.093 1.00 0.00 N ATOM 1694 CA LYS A 105 -13.556 -11.142 3.151 1.00 0.00 C ATOM 1695 C LYS A 105 -12.303 -11.089 4.030 1.00 0.00 C ATOM 1696 O LYS A 105 -12.412 -11.088 5.237 1.00 0.00 O ATOM 1697 CB LYS A 105 -13.709 -12.531 2.477 1.00 0.00 C ATOM 1698 CG LYS A 105 -15.090 -12.684 1.812 1.00 0.00 C ATOM 1699 CD LYS A 105 -15.203 -14.065 1.162 1.00 0.00 C ATOM 1700 CE LYS A 105 -16.590 -14.217 0.538 1.00 0.00 C ATOM 1701 NZ LYS A 105 -16.686 -15.548 -0.125 1.00 0.00 N ATOM 0 H LYS A 105 -12.688 -9.933 1.595 1.00 0.00 H new ATOM 0 HA LYS A 105 -14.400 -10.966 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.927 -12.662 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.573 -13.315 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.877 -12.556 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.230 -11.906 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.433 -14.185 0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.039 -14.844 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.359 -14.123 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.764 -13.423 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.628 -15.656 -0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.960 -15.620 -0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.536 -16.298 0.579 1.00 0.00 H new ATOM 1715 N ALA A 106 -11.122 -11.094 3.463 1.00 0.00 N ATOM 1716 CA ALA A 106 -9.890 -11.079 4.380 1.00 0.00 C ATOM 1717 C ALA A 106 -9.555 -9.654 4.819 1.00 0.00 C ATOM 1718 O ALA A 106 -8.416 -9.311 5.070 1.00 0.00 O ATOM 1719 CB ALA A 106 -8.642 -11.648 3.681 1.00 0.00 C ATOM 0 H ALA A 106 -10.939 -11.107 2.460 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.146 -11.700 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.795 -11.618 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.831 -12.679 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.415 -11.050 2.798 1.00 0.00 H new ATOM 1725 N ASN A 107 -10.529 -8.831 4.861 1.00 0.00 N ATOM 1726 CA ASN A 107 -10.323 -7.405 5.244 1.00 0.00 C ATOM 1727 C ASN A 107 -9.850 -7.275 6.704 1.00 0.00 C ATOM 1728 O ASN A 107 -9.453 -6.207 7.124 1.00 0.00 O ATOM 1729 CB ASN A 107 -11.645 -6.647 5.069 1.00 0.00 C ATOM 1730 CG ASN A 107 -12.737 -7.304 5.926 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -12.531 -7.559 7.097 1.00 0.00 O ATOM 1732 ND2 ASN A 107 -13.890 -7.596 5.390 1.00 0.00 N ATOM 0 H ASN A 107 -11.495 -9.076 4.643 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.550 -6.984 4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.519 -5.604 5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.941 -6.651 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -14.617 -8.037 5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -14.064 -7.383 4.408 1.00 0.00 H new ATOM 1739 N THR A 108 -9.865 -8.330 7.489 1.00 0.00 N ATOM 1740 CA THR A 108 -9.388 -8.190 8.905 1.00 0.00 C ATOM 1741 C THR A 108 -7.852 -8.061 8.927 1.00 0.00 C ATOM 1742 O THR A 108 -7.321 -6.975 9.062 1.00 0.00 O ATOM 1743 CB THR A 108 -9.804 -9.429 9.695 1.00 0.00 C ATOM 1744 OG1 THR A 108 -9.355 -10.594 9.018 1.00 0.00 O ATOM 1745 CG2 THR A 108 -11.329 -9.464 9.824 1.00 0.00 C ATOM 0 H THR A 108 -10.179 -9.262 7.219 1.00 0.00 H new ATOM 0 HA THR A 108 -9.829 -7.299 9.352 1.00 0.00 H new ATOM 0 HB THR A 108 -9.358 -9.394 10.689 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.620 -11.390 9.525 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.626 -10.348 10.388 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.671 -8.570 10.345 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.777 -9.499 8.831 1.00 0.00 H new ATOM 1753 N GLU A 109 -7.129 -9.144 8.774 1.00 0.00 N ATOM 1754 CA GLU A 109 -5.670 -9.075 8.765 1.00 0.00 C ATOM 1755 C GLU A 109 -5.203 -8.642 7.368 1.00 0.00 C ATOM 1756 O GLU A 109 -5.254 -9.404 6.424 1.00 0.00 O ATOM 1757 CB GLU A 109 -5.170 -10.490 9.074 1.00 0.00 C ATOM 1758 CG GLU A 109 -5.503 -10.868 10.530 1.00 0.00 C ATOM 1759 CD GLU A 109 -5.081 -12.312 10.823 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -4.528 -12.941 9.939 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -5.303 -12.758 11.938 1.00 0.00 O ATOM 0 H GLU A 109 -7.514 -10.081 8.654 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.288 -8.360 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.631 -11.203 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.093 -10.546 8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.993 -10.189 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.573 -10.753 10.706 1.00 0.00 H new ATOM 1768 N SER A 110 -4.743 -7.428 7.223 1.00 0.00 N ATOM 1769 CA SER A 110 -4.305 -6.976 5.871 1.00 0.00 C ATOM 1770 C SER A 110 -2.851 -7.399 5.688 1.00 0.00 C ATOM 1771 O SER A 110 -1.950 -6.626 5.899 1.00 0.00 O ATOM 1772 CB SER A 110 -4.410 -5.451 5.781 1.00 0.00 C ATOM 1773 OG SER A 110 -5.766 -5.064 5.936 1.00 0.00 O ATOM 0 H SER A 110 -4.652 -6.739 7.970 1.00 0.00 H new ATOM 0 HA SER A 110 -4.933 -7.418 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.797 -4.987 6.553 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.029 -5.105 4.820 1.00 0.00 H new ATOM 0 HG SER A 110 -5.836 -4.088 5.881 1.00 0.00 H new ATOM 1779 N GLN A 111 -2.626 -8.640 5.332 1.00 0.00 N ATOM 1780 CA GLN A 111 -1.228 -9.148 5.135 1.00 0.00 C ATOM 1781 C GLN A 111 -1.293 -10.597 4.662 1.00 0.00 C ATOM 1782 O GLN A 111 -1.193 -11.472 5.481 1.00 0.00 O ATOM 1783 CB GLN A 111 -0.522 -9.130 6.491 1.00 0.00 C ATOM 1784 CG GLN A 111 -1.493 -9.519 7.619 1.00 0.00 C ATOM 1785 CD GLN A 111 -0.725 -9.886 8.891 1.00 0.00 C ATOM 1786 OE1 GLN A 111 0.303 -9.309 9.182 1.00 0.00 O ATOM 1787 NE2 GLN A 111 -1.185 -10.823 9.670 1.00 0.00 N ATOM 0 H GLN A 111 -3.358 -9.331 5.167 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.701 -8.532 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.321 -9.821 6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.116 -8.136 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -2.171 -8.690 7.824 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -2.107 -10.362 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -2.048 -11.309 9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.682 -11.070 10.522 1.00 0.00 H new ATOM 1796 N SER A 112 -1.418 -10.891 3.365 1.00 0.00 N ATOM 1797 CA SER A 112 -1.439 -12.349 2.976 1.00 0.00 C ATOM 1798 C SER A 112 -1.087 -12.479 1.482 1.00 0.00 C ATOM 1799 O SER A 112 -1.921 -12.594 0.610 1.00 0.00 O ATOM 1800 CB SER A 112 -2.857 -12.884 3.227 1.00 0.00 C ATOM 1801 OG SER A 112 -3.010 -13.236 4.590 1.00 0.00 O ATOM 0 H SER A 112 -1.502 -10.218 2.603 1.00 0.00 H new ATOM 0 HA SER A 112 -0.715 -12.917 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.593 -12.128 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.043 -13.753 2.596 1.00 0.00 H new ATOM 0 HG SER A 112 -2.285 -12.837 5.114 1.00 0.00 H new ATOM 1807 N LEU A 113 0.187 -12.516 1.238 1.00 0.00 N ATOM 1808 CA LEU A 113 0.794 -12.678 -0.115 1.00 0.00 C ATOM 1809 C LEU A 113 2.293 -12.668 0.193 1.00 0.00 C ATOM 1810 O LEU A 113 2.843 -11.593 0.336 1.00 0.00 O ATOM 1811 CB LEU A 113 0.448 -11.451 -1.016 1.00 0.00 C ATOM 1812 CG LEU A 113 0.865 -11.627 -2.487 1.00 0.00 C ATOM 1813 CD1 LEU A 113 0.379 -12.973 -3.030 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.287 -10.488 -3.339 1.00 0.00 C ATOM 0 H LEU A 113 0.885 -12.434 1.977 1.00 0.00 H new ATOM 0 HA LEU A 113 0.447 -13.568 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.626 -11.270 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.938 -10.565 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 113 1.953 -11.601 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.684 -13.077 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.814 -13.781 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.708 -13.021 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.588 -10.622 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.801 -10.499 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.663 -9.533 -2.973 1.00 0.00 H new ATOM 1826 N ILE A 114 3.026 -13.746 0.097 1.00 0.00 N ATOM 1827 CA ILE A 114 4.493 -13.532 0.267 1.00 0.00 C ATOM 1828 C ILE A 114 4.675 -13.156 -1.208 1.00 0.00 C ATOM 1829 O ILE A 114 4.020 -13.745 -2.040 1.00 0.00 O ATOM 1830 CB ILE A 114 5.201 -14.839 0.750 1.00 0.00 C ATOM 1831 CG1 ILE A 114 4.710 -15.219 2.157 1.00 0.00 C ATOM 1832 CG2 ILE A 114 6.710 -14.674 0.788 1.00 0.00 C ATOM 1833 CD1 ILE A 114 5.157 -16.645 2.517 1.00 0.00 C ATOM 0 H ILE A 114 2.706 -14.698 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 114 4.887 -12.829 1.001 1.00 0.00 H new ATOM 0 HB ILE A 114 4.951 -15.626 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.103 -14.513 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.623 -15.151 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.169 -15.602 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.075 -14.433 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 114 6.971 -13.868 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.801 -16.897 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.742 -17.349 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.245 -16.702 2.495 1.00 0.00 H new ATOM 1845 N LEU A 115 5.337 -12.056 -1.551 1.00 0.00 N ATOM 1846 CA LEU A 115 5.328 -11.667 -3.028 1.00 0.00 C ATOM 1847 C LEU A 115 6.552 -11.987 -3.870 1.00 0.00 C ATOM 1848 O LEU A 115 7.658 -12.252 -3.402 1.00 0.00 O ATOM 1849 CB LEU A 115 5.231 -10.139 -3.058 1.00 0.00 C ATOM 1850 CG LEU A 115 3.744 -9.632 -2.935 1.00 0.00 C ATOM 1851 CD1 LEU A 115 2.700 -8.538 -2.575 1.00 0.00 C ATOM 1852 CD2 LEU A 115 5.091 -8.933 -3.188 1.00 0.00 C ATOM 0 H LEU A 115 5.854 -11.442 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 115 4.512 -12.248 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.823 -9.723 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.663 -9.768 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 115 2.863 -10.274 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.696 -8.919 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.799 -8.273 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.872 -7.654 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.929 -7.861 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.759 -9.114 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.541 -9.328 -4.099 1.00 0.00 H new ATOM 1864 N GLN A 116 6.344 -11.758 -5.116 1.00 0.00 N ATOM 1865 CA GLN A 116 7.398 -11.897 -6.102 1.00 0.00 C ATOM 1866 C GLN A 116 8.333 -10.770 -5.744 1.00 0.00 C ATOM 1867 O GLN A 116 7.815 -9.701 -5.658 1.00 0.00 O ATOM 1868 CB GLN A 116 6.812 -11.518 -7.461 1.00 0.00 C ATOM 1869 CG GLN A 116 7.911 -11.466 -8.527 1.00 0.00 C ATOM 1870 CD GLN A 116 7.282 -11.395 -9.921 1.00 0.00 C ATOM 1871 OE1 GLN A 116 6.591 -12.302 -10.335 1.00 0.00 O ATOM 1872 NE2 GLN A 116 7.488 -10.343 -10.663 1.00 0.00 N ATOM 0 H GLN A 116 5.444 -11.468 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 116 7.844 -12.891 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.052 -12.243 -7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.318 -10.549 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.549 -10.598 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.547 -12.348 -8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.069 -9.580 -10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.068 -10.283 -11.591 1.00 0.00 H new ATOM 1881 N ALA A 117 9.615 -10.929 -5.547 1.00 0.00 N ATOM 1882 CA ALA A 117 10.456 -9.717 -5.219 1.00 0.00 C ATOM 1883 C ALA A 117 10.591 -8.784 -6.452 1.00 0.00 C ATOM 1884 O ALA A 117 10.702 -9.260 -7.565 1.00 0.00 O ATOM 1885 CB ALA A 117 11.860 -10.144 -4.792 1.00 0.00 C ATOM 0 H ALA A 117 10.115 -11.817 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 117 9.959 -9.185 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.454 -9.260 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 117 11.794 -10.780 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.335 -10.697 -5.603 1.00 0.00 H new ATOM 1891 N ASN A 118 10.554 -7.474 -6.283 1.00 0.00 N ATOM 1892 CA ASN A 118 10.664 -6.551 -7.451 1.00 0.00 C ATOM 1893 C ASN A 118 12.079 -6.632 -8.013 1.00 0.00 C ATOM 1894 O ASN A 118 13.058 -6.465 -7.314 1.00 0.00 O ATOM 1895 CB ASN A 118 10.402 -5.090 -7.034 1.00 0.00 C ATOM 1896 CG ASN A 118 10.137 -4.960 -5.529 1.00 0.00 C ATOM 1897 OD1 ASN A 118 10.830 -5.547 -4.724 1.00 0.00 O ATOM 1898 ND2 ASN A 118 9.146 -4.202 -5.112 1.00 0.00 N ATOM 0 H ASN A 118 10.452 -7.012 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 118 9.923 -6.850 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 118 11.261 -4.476 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.546 -4.703 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.961 -4.108 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.563 -3.708 -5.787 1.00 0.00 H new ATOM 1905 N GLU A 119 12.188 -6.900 -9.270 1.00 0.00 N ATOM 1906 CA GLU A 119 13.529 -7.013 -9.895 1.00 0.00 C ATOM 1907 C GLU A 119 14.305 -5.680 -9.834 1.00 0.00 C ATOM 1908 O GLU A 119 15.483 -5.681 -9.537 1.00 0.00 O ATOM 1909 CB GLU A 119 13.360 -7.456 -11.349 1.00 0.00 C ATOM 1910 CG GLU A 119 12.693 -6.342 -12.175 1.00 0.00 C ATOM 1911 CD GLU A 119 12.256 -6.894 -13.538 1.00 0.00 C ATOM 1912 OE1 GLU A 119 12.927 -7.777 -14.042 1.00 0.00 O ATOM 1913 OE2 GLU A 119 11.257 -6.416 -14.053 1.00 0.00 O ATOM 0 H GLU A 119 11.402 -7.048 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 119 14.109 -7.750 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.332 -7.702 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.755 -8.361 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.830 -5.947 -11.639 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.388 -5.514 -12.314 1.00 0.00 H new ATOM 1920 N GLU A 120 13.704 -4.548 -10.134 1.00 0.00 N ATOM 1921 CA GLU A 120 14.518 -3.280 -10.076 1.00 0.00 C ATOM 1922 C GLU A 120 14.631 -2.828 -8.625 1.00 0.00 C ATOM 1923 O GLU A 120 13.850 -2.023 -8.164 1.00 0.00 O ATOM 1924 CB GLU A 120 13.855 -2.143 -10.922 1.00 0.00 C ATOM 1925 CG GLU A 120 13.919 -2.408 -12.466 1.00 0.00 C ATOM 1926 CD GLU A 120 13.292 -1.262 -13.218 1.00 0.00 C ATOM 1927 OE1 GLU A 120 12.928 -0.323 -12.564 1.00 0.00 O ATOM 1928 OE2 GLU A 120 13.179 -1.345 -14.431 1.00 0.00 O ATOM 0 H GLU A 120 12.726 -4.444 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 120 15.506 -3.483 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.813 -2.035 -10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 120 14.351 -1.198 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.956 -2.533 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.400 -3.336 -12.705 1.00 0.00 H new ATOM 1935 N LEU A 121 15.600 -3.317 -7.889 1.00 0.00 N ATOM 1936 CA LEU A 121 15.704 -2.864 -6.447 1.00 0.00 C ATOM 1937 C LEU A 121 16.695 -1.699 -6.272 1.00 0.00 C ATOM 1938 O LEU A 121 16.683 -1.020 -5.263 1.00 0.00 O ATOM 1939 CB LEU A 121 16.099 -4.076 -5.564 1.00 0.00 C ATOM 1940 CG LEU A 121 15.111 -5.248 -5.760 1.00 0.00 C ATOM 1941 CD1 LEU A 121 15.561 -6.453 -4.938 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.714 -4.819 -5.306 1.00 0.00 C ATOM 0 H LEU A 121 16.304 -3.986 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 121 14.732 -2.485 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 121 17.109 -4.401 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.112 -3.778 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 121 15.088 -5.521 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.859 -7.274 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.554 -6.764 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.591 -6.183 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.017 -5.645 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.743 -4.541 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.386 -3.965 -5.898 1.00 0.00 H new