USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 5 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 84 SER OG : rot 123:sc= 0.869! USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.102 USER MOD Set 2.3: A 92 ASN : amide:sc= -0.748 K(o=0.22,f=-3.4!) USER MOD Set 3.1: A 60 TYR OH : rot 176:sc= 1.53 USER MOD Set 3.2: A 81 TYR OH : rot -155:sc= 0.587 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 18 ASN : amide:sc= -0.672 K(o=-0.67,f=-3.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.59) USER MOD Single : A 26 MET CE :methyl -161:sc= -1.85 (180deg=-2.54!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.289 USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.481) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0641) USER MOD Single : A 38 THR OG1 : rot 7:sc= -6.08! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -0.0289 (180deg=-0.247) USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= -0.016 (180deg=-0.582) USER MOD Single : A 53 THR OG1 : rot 143:sc= 1.42 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -77:sc= 0.124 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= -0.0224 (180deg=-0.212) USER MOD Single : A 65 ASN : amide:sc= -0.396 K(o=-0.4,f=-4.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0.642 (180deg=0.583) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.718 K(o=-0.72,f=-2.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 78 GLN : amide:sc= -0.0052 X(o=-0.0052,f=0.19) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -84:sc= 0.0664 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 8.052 5.166 -10.586 1.00 0.00 N ATOM 74 CA ASN A 5 8.336 5.425 -9.178 1.00 0.00 C ATOM 75 C ASN A 5 7.418 4.604 -8.296 1.00 0.00 C ATOM 76 O ASN A 5 6.855 5.069 -7.295 1.00 0.00 O ATOM 77 CB ASN A 5 8.181 6.945 -8.884 1.00 0.00 C ATOM 78 CG ASN A 5 9.128 7.564 -7.852 1.00 0.00 C ATOM 79 OD1 ASN A 5 8.720 8.136 -6.852 1.00 0.00 O ATOM 80 ND2 ASN A 5 10.416 7.500 -8.062 1.00 0.00 N ATOM 0 HA ASN A 5 9.362 5.131 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.307 7.484 -9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.158 7.121 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.063 7.923 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.775 7.027 -8.891 1.00 0.00 H new ATOM 87 N ALA A 6 7.245 3.350 -8.687 1.00 0.00 N ATOM 88 CA ALA A 6 6.284 2.457 -8.049 1.00 0.00 C ATOM 89 C ALA A 6 6.911 1.644 -6.937 1.00 0.00 C ATOM 90 O ALA A 6 8.124 1.661 -6.689 1.00 0.00 O ATOM 91 CB ALA A 6 5.679 1.569 -9.154 1.00 0.00 C ATOM 0 H ALA A 6 7.764 2.922 -9.453 1.00 0.00 H new ATOM 0 HA ALA A 6 5.498 3.036 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.953 0.885 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.184 2.197 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.472 0.996 -9.635 1.00 0.00 H new ATOM 97 N LEU A 7 6.061 0.900 -6.243 1.00 0.00 N ATOM 98 CA LEU A 7 6.476 0.054 -5.130 1.00 0.00 C ATOM 99 C LEU A 7 6.438 -1.407 -5.517 1.00 0.00 C ATOM 100 O LEU A 7 5.380 -2.001 -5.764 1.00 0.00 O ATOM 101 CB LEU A 7 5.592 0.310 -3.875 1.00 0.00 C ATOM 102 CG LEU A 7 5.373 1.790 -3.448 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.173 1.972 -2.506 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.643 2.337 -2.781 1.00 0.00 C ATOM 0 H LEU A 7 5.060 0.865 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 7 7.505 0.314 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.614 -0.138 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.037 -0.222 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 7 5.153 2.350 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.073 3.025 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.265 1.634 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.329 1.386 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.481 3.374 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.877 1.740 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.474 2.286 -3.484 1.00 0.00 H new ATOM 116 N GLU A 8 7.620 -2.000 -5.597 1.00 0.00 N ATOM 117 CA GLU A 8 7.756 -3.434 -5.823 1.00 0.00 C ATOM 118 C GLU A 8 7.043 -4.220 -4.747 1.00 0.00 C ATOM 119 O GLU A 8 7.617 -4.557 -3.698 1.00 0.00 O ATOM 120 CB GLU A 8 9.269 -3.786 -5.866 1.00 0.00 C ATOM 121 CG GLU A 8 10.148 -3.072 -6.945 1.00 0.00 C ATOM 122 CD GLU A 8 10.593 -3.876 -8.168 1.00 0.00 C ATOM 123 OE1 GLU A 8 9.820 -4.541 -8.845 1.00 0.00 O ATOM 124 OE2 GLU A 8 11.926 -3.783 -8.431 1.00 0.00 O ATOM 0 H GLU A 8 8.508 -1.506 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 8 7.294 -3.702 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.693 -3.565 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.360 -4.862 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.595 -2.203 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.044 -2.698 -6.449 1.00 0.00 H new ATOM 131 N THR A 9 5.788 -4.547 -4.988 1.00 0.00 N ATOM 132 CA THR A 9 4.950 -5.189 -3.974 1.00 0.00 C ATOM 133 C THR A 9 4.891 -6.681 -4.202 1.00 0.00 C ATOM 134 O THR A 9 4.777 -7.164 -5.339 1.00 0.00 O ATOM 135 CB THR A 9 3.521 -4.550 -3.970 1.00 0.00 C ATOM 136 OG1 THR A 9 3.463 -3.467 -3.049 1.00 0.00 O ATOM 137 CG2 THR A 9 2.357 -5.474 -3.550 1.00 0.00 C ATOM 0 H THR A 9 5.318 -4.381 -5.878 1.00 0.00 H new ATOM 0 HA THR A 9 5.393 -5.024 -2.992 1.00 0.00 H new ATOM 0 HB THR A 9 3.386 -4.270 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.564 -3.077 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.420 -4.918 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.302 -6.323 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.526 -5.834 -2.535 1.00 0.00 H new ATOM 145 N TRP A 10 4.991 -7.441 -3.128 1.00 0.00 N ATOM 146 CA TRP A 10 5.101 -8.896 -3.214 1.00 0.00 C ATOM 147 C TRP A 10 4.071 -9.582 -2.349 1.00 0.00 C ATOM 148 O TRP A 10 3.499 -8.997 -1.417 1.00 0.00 O ATOM 149 CB TRP A 10 6.528 -9.317 -2.763 1.00 0.00 C ATOM 150 CG TRP A 10 7.612 -9.128 -3.831 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.576 -8.100 -3.857 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.793 -9.846 -4.994 1.00 0.00 C ATOM 153 NE1 TRP A 10 9.360 -8.154 -5.026 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.855 -9.245 -5.715 1.00 0.00 C ATOM 155 CE3 TRP A 10 7.131 -10.992 -5.504 1.00 0.00 C ATOM 156 CZ2 TRP A 10 9.240 -9.768 -6.969 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.505 -11.468 -6.761 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.522 -10.844 -7.499 1.00 0.00 C ATOM 0 H TRP A 10 4.999 -7.077 -2.175 1.00 0.00 H new ATOM 0 HA TRP A 10 4.921 -9.198 -4.246 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.801 -8.740 -1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.507 -10.365 -2.466 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.698 -7.363 -3.077 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.122 -7.534 -5.301 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.357 -11.484 -4.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 10.074 -9.344 -7.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 7.003 -12.331 -7.173 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.754 -11.200 -8.492 1.00 0.00 H new ATOM 169 N GLY A 11 3.833 -10.851 -2.629 1.00 0.00 N ATOM 170 CA GLY A 11 2.961 -11.674 -1.797 1.00 0.00 C ATOM 171 C GLY A 11 3.281 -13.144 -1.942 1.00 0.00 C ATOM 172 O GLY A 11 4.379 -13.549 -2.349 1.00 0.00 O ATOM 0 H GLY A 11 4.232 -11.340 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.068 -11.379 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.921 -11.498 -2.073 1.00 0.00 H new ATOM 176 N ALA A 12 2.321 -13.976 -1.584 1.00 0.00 N ATOM 177 CA ALA A 12 2.404 -15.422 -1.776 1.00 0.00 C ATOM 178 C ALA A 12 1.020 -16.029 -1.796 1.00 0.00 C ATOM 179 O ALA A 12 0.090 -15.503 -1.142 1.00 0.00 O ATOM 180 CB ALA A 12 3.295 -15.994 -0.660 1.00 0.00 C ATOM 0 H ALA A 12 1.452 -13.670 -1.147 1.00 0.00 H new ATOM 0 HA ALA A 12 2.853 -15.669 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.376 -17.075 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.287 -15.547 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.854 -15.766 0.310 1.00 0.00 H new ATOM 186 N LEU A 13 0.828 -17.126 -2.506 1.00 0.00 N ATOM 187 CA LEU A 13 -0.518 -17.676 -2.690 1.00 0.00 C ATOM 188 C LEU A 13 -1.098 -18.153 -1.375 1.00 0.00 C ATOM 189 O LEU A 13 -0.464 -18.860 -0.580 1.00 0.00 O ATOM 190 CB LEU A 13 -0.547 -18.820 -3.742 1.00 0.00 C ATOM 191 CG LEU A 13 -0.992 -18.476 -5.189 1.00 0.00 C ATOM 192 CD1 LEU A 13 -0.135 -17.377 -5.836 1.00 0.00 C ATOM 193 CD2 LEU A 13 -0.965 -19.737 -6.063 1.00 0.00 C ATOM 0 H LEU A 13 1.572 -17.654 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.138 -16.865 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.454 -19.249 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.209 -19.600 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.009 -18.089 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.496 -17.182 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.205 -16.465 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.904 -17.704 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.279 -19.484 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.047 -20.142 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.644 -20.482 -5.648 1.00 0.00 H new ATOM 205 N GLY A 14 -2.347 -17.774 -1.148 1.00 0.00 N ATOM 206 CA GLY A 14 -3.025 -18.044 0.114 1.00 0.00 C ATOM 207 C GLY A 14 -2.598 -17.064 1.181 1.00 0.00 C ATOM 208 O GLY A 14 -2.358 -17.452 2.346 1.00 0.00 O ATOM 0 H GLY A 14 -2.918 -17.273 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.104 -17.983 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.803 -19.060 0.439 1.00 0.00 H new ATOM 212 N GLN A 15 -2.508 -15.790 0.852 1.00 0.00 N ATOM 213 CA GLN A 15 -1.966 -14.798 1.783 1.00 0.00 C ATOM 214 C GLN A 15 -2.858 -13.582 1.856 1.00 0.00 C ATOM 215 O GLN A 15 -3.932 -13.486 1.247 1.00 0.00 O ATOM 216 CB GLN A 15 -0.539 -14.412 1.337 1.00 0.00 C ATOM 217 CG GLN A 15 0.476 -14.080 2.481 1.00 0.00 C ATOM 218 CD GLN A 15 1.161 -12.708 2.500 1.00 0.00 C ATOM 219 OE1 GLN A 15 1.431 -12.123 1.463 1.00 0.00 O ATOM 220 NE2 GLN A 15 1.489 -12.157 3.641 1.00 0.00 N ATOM 0 H GLN A 15 -2.800 -15.410 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.924 -15.229 2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.132 -15.231 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.608 -13.546 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.049 -14.198 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.260 -14.837 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.271 -12.631 4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.962 -11.253 3.654 1.00 0.00 H new ATOM 229 N ASP A 16 -2.435 -12.621 2.665 1.00 0.00 N ATOM 230 CA ASP A 16 -3.105 -11.326 2.719 1.00 0.00 C ATOM 231 C ASP A 16 -2.082 -10.212 2.747 1.00 0.00 C ATOM 232 O ASP A 16 -1.131 -10.205 3.542 1.00 0.00 O ATOM 233 CB ASP A 16 -4.111 -11.297 3.902 1.00 0.00 C ATOM 234 CG ASP A 16 -4.291 -9.968 4.647 1.00 0.00 C ATOM 235 OD1 ASP A 16 -3.366 -9.369 5.176 1.00 0.00 O ATOM 236 OD2 ASP A 16 -5.592 -9.549 4.675 1.00 0.00 O ATOM 0 H ASP A 16 -1.635 -12.711 3.291 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.697 -11.165 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.085 -11.604 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.800 -12.049 4.627 1.00 0.00 H new ATOM 241 N ILE A 17 -2.256 -9.256 1.851 1.00 0.00 N ATOM 242 CA ILE A 17 -1.258 -8.219 1.606 1.00 0.00 C ATOM 243 C ILE A 17 -1.843 -6.831 1.712 1.00 0.00 C ATOM 244 O ILE A 17 -3.064 -6.638 1.795 1.00 0.00 O ATOM 245 CB ILE A 17 -0.551 -8.449 0.204 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.826 -7.731 0.026 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.461 -8.050 -0.998 1.00 0.00 C ATOM 248 CD1 ILE A 17 1.904 -8.062 1.078 1.00 0.00 C ATOM 0 H ILE A 17 -3.091 -9.173 1.271 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.501 -8.296 2.387 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.366 -9.523 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.219 -7.982 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.656 -6.654 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.928 -8.227 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.371 -8.649 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.720 -6.994 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.815 -7.507 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.544 -7.783 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.116 -9.131 1.057 1.00 0.00 H new ATOM 260 N ASN A 18 -0.976 -5.833 1.730 1.00 0.00 N ATOM 261 CA ASN A 18 -1.397 -4.447 1.919 1.00 0.00 C ATOM 262 C ASN A 18 -0.832 -3.541 0.845 1.00 0.00 C ATOM 263 O ASN A 18 -0.155 -3.957 -0.105 1.00 0.00 O ATOM 264 CB ASN A 18 -0.969 -3.945 3.329 1.00 0.00 C ATOM 265 CG ASN A 18 0.056 -4.731 4.152 1.00 0.00 C ATOM 266 OD1 ASN A 18 0.163 -5.948 4.111 1.00 0.00 O ATOM 267 ND2 ASN A 18 0.842 -4.066 4.965 1.00 0.00 N ATOM 0 H ASN A 18 0.030 -5.954 1.616 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.484 -4.414 1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.578 -2.935 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.874 -3.866 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.519 -4.565 5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.776 -3.050 5.021 1.00 0.00 H new ATOM 274 N LEU A 19 -1.131 -2.258 0.976 1.00 0.00 N ATOM 275 CA LEU A 19 -0.740 -1.232 0.015 1.00 0.00 C ATOM 276 C LEU A 19 -0.320 0.031 0.736 1.00 0.00 C ATOM 277 O LEU A 19 -1.133 0.934 0.989 1.00 0.00 O ATOM 278 CB LEU A 19 -1.895 -0.945 -0.987 1.00 0.00 C ATOM 279 CG LEU A 19 -1.766 -1.483 -2.437 1.00 0.00 C ATOM 280 CD1 LEU A 19 -0.428 -1.044 -3.046 1.00 0.00 C ATOM 281 CD2 LEU A 19 -1.895 -3.013 -2.519 1.00 0.00 C ATOM 0 H LEU A 19 -1.662 -1.891 1.766 1.00 0.00 H new ATOM 0 HA LEU A 19 0.113 -1.599 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.812 -1.353 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.024 0.136 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.593 -1.058 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.348 -1.427 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.376 0.045 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.392 -1.437 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.797 -3.331 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.110 -3.477 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.870 -3.317 -2.137 1.00 0.00 H new ATOM 293 N ASP A 20 0.955 0.132 1.060 1.00 0.00 N ATOM 294 CA ASP A 20 1.471 1.220 1.889 1.00 0.00 C ATOM 295 C ASP A 20 1.935 2.370 1.023 1.00 0.00 C ATOM 296 O ASP A 20 2.972 2.333 0.347 1.00 0.00 O ATOM 297 CB ASP A 20 2.588 0.705 2.832 1.00 0.00 C ATOM 298 CG ASP A 20 2.343 -0.651 3.512 1.00 0.00 C ATOM 299 OD1 ASP A 20 1.018 -0.979 3.579 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.244 -1.343 3.962 1.00 0.00 O ATOM 0 H ASP A 20 1.667 -0.534 0.759 1.00 0.00 H new ATOM 0 HA ASP A 20 0.667 1.597 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.513 0.637 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.749 1.452 3.609 1.00 0.00 H new ATOM 305 N ILE A 21 1.139 3.425 1.017 1.00 0.00 N ATOM 306 CA ILE A 21 1.307 4.562 0.118 1.00 0.00 C ATOM 307 C ILE A 21 2.008 5.760 0.717 1.00 0.00 C ATOM 308 O ILE A 21 2.910 6.355 0.098 1.00 0.00 O ATOM 309 CB ILE A 21 -0.113 5.007 -0.454 1.00 0.00 C ATOM 310 CG1 ILE A 21 -0.177 6.456 -1.037 1.00 0.00 C ATOM 311 CG2 ILE A 21 -1.244 4.867 0.608 1.00 0.00 C ATOM 312 CD1 ILE A 21 0.025 7.618 -0.039 1.00 0.00 C ATOM 0 H ILE A 21 0.342 3.521 1.647 1.00 0.00 H new ATOM 0 HA ILE A 21 1.965 4.207 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.266 4.315 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.580 6.542 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.146 6.586 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.193 5.182 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.318 3.827 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.014 5.494 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.042 8.568 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.746 7.576 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.007 7.531 0.427 1.00 0.00 H new ATOM 324 N PRO A 22 1.585 6.169 1.894 1.00 0.00 N ATOM 325 CA PRO A 22 1.985 7.468 2.594 1.00 0.00 C ATOM 326 C PRO A 22 3.470 7.750 2.754 1.00 0.00 C ATOM 327 O PRO A 22 4.207 7.083 3.489 1.00 0.00 O ATOM 328 CB PRO A 22 1.431 7.422 4.024 1.00 0.00 C ATOM 329 CG PRO A 22 0.174 6.585 3.779 1.00 0.00 C ATOM 330 CD PRO A 22 0.608 5.496 2.781 1.00 0.00 C ATOM 0 HA PRO A 22 1.587 8.247 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.119 6.950 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.205 8.413 4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.195 6.146 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.633 7.194 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.058 4.646 3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.243 5.114 2.216 1.00 0.00 H new ATOM 338 N SER A 23 3.930 8.786 2.065 1.00 0.00 N ATOM 339 CA SER A 23 5.258 9.352 2.222 1.00 0.00 C ATOM 340 C SER A 23 5.239 10.517 3.189 1.00 0.00 C ATOM 341 O SER A 23 6.165 11.341 3.239 1.00 0.00 O ATOM 342 CB SER A 23 5.820 9.798 0.847 1.00 0.00 C ATOM 343 OG SER A 23 7.251 9.780 0.795 1.00 0.00 O ATOM 0 H SER A 23 3.371 9.268 1.361 1.00 0.00 H new ATOM 0 HA SER A 23 5.910 8.581 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.425 9.143 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.466 10.805 0.625 1.00 0.00 H new ATOM 0 HG SER A 23 7.550 10.068 -0.093 1.00 0.00 H new ATOM 349 N PHE A 24 4.174 10.620 3.959 1.00 0.00 N ATOM 350 CA PHE A 24 3.881 11.805 4.757 1.00 0.00 C ATOM 351 C PHE A 24 2.790 11.535 5.767 1.00 0.00 C ATOM 352 O PHE A 24 2.203 10.445 5.825 1.00 0.00 O ATOM 353 CB PHE A 24 3.408 12.961 3.817 1.00 0.00 C ATOM 354 CG PHE A 24 2.066 12.740 3.100 1.00 0.00 C ATOM 355 CD1 PHE A 24 1.459 11.478 3.148 1.00 0.00 C ATOM 356 CD2 PHE A 24 1.424 13.786 2.433 1.00 0.00 C ATOM 357 CE1 PHE A 24 0.218 11.273 2.556 1.00 0.00 C ATOM 358 CE2 PHE A 24 0.185 13.577 1.834 1.00 0.00 C ATOM 359 CZ PHE A 24 -0.420 12.323 1.899 1.00 0.00 C ATOM 0 H PHE A 24 3.479 9.880 4.053 1.00 0.00 H new ATOM 0 HA PHE A 24 4.792 12.083 5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.336 13.875 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.177 13.127 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.958 10.661 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.890 14.759 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.251 10.301 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.308 14.388 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.385 12.165 1.440 1.00 0.00 H new ATOM 369 N GLN A 25 2.484 12.547 6.559 1.00 0.00 N ATOM 370 CA GLN A 25 1.367 12.486 7.498 1.00 0.00 C ATOM 371 C GLN A 25 0.525 13.745 7.456 1.00 0.00 C ATOM 372 O GLN A 25 0.604 14.634 8.315 1.00 0.00 O ATOM 373 CB GLN A 25 1.931 12.225 8.914 1.00 0.00 C ATOM 374 CG GLN A 25 3.481 12.034 9.018 1.00 0.00 C ATOM 375 CD GLN A 25 4.083 10.644 8.774 1.00 0.00 C ATOM 376 OE1 GLN A 25 3.509 9.819 8.082 1.00 0.00 O ATOM 377 NE2 GLN A 25 5.232 10.325 9.314 1.00 0.00 N ATOM 0 H GLN A 25 2.995 13.430 6.574 1.00 0.00 H new ATOM 0 HA GLN A 25 0.702 11.670 7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.645 13.059 9.555 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.449 11.334 9.316 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.944 12.721 8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.784 12.352 10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.727 11.001 9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.632 9.401 9.153 1.00 0.00 H new ATOM 386 N MET A 26 -0.294 13.850 6.423 1.00 0.00 N ATOM 387 CA MET A 26 -1.299 14.926 6.313 1.00 0.00 C ATOM 388 C MET A 26 -2.476 14.636 7.200 1.00 0.00 C ATOM 389 O MET A 26 -2.696 13.469 7.609 1.00 0.00 O ATOM 390 CB MET A 26 -1.790 15.018 4.859 1.00 0.00 C ATOM 391 CG MET A 26 -2.998 14.114 4.440 1.00 0.00 C ATOM 392 SD MET A 26 -2.492 12.389 4.433 1.00 0.00 S ATOM 393 CE MET A 26 -3.981 11.676 3.720 1.00 0.00 C ATOM 0 H MET A 26 -0.292 13.203 5.635 1.00 0.00 H new ATOM 0 HA MET A 26 -0.839 15.866 6.619 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.063 16.055 4.662 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.951 14.780 4.206 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.828 14.256 5.132 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.354 14.402 3.451 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.013 10.608 3.937 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.858 12.160 4.150 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.976 11.827 2.641 1.00 0.00 H new ATOM 403 N SER A 27 -3.280 15.638 7.518 1.00 0.00 N ATOM 404 CA SER A 27 -4.410 15.434 8.432 1.00 0.00 C ATOM 405 C SER A 27 -5.392 16.588 8.438 1.00 0.00 C ATOM 406 O SER A 27 -6.609 16.435 8.272 1.00 0.00 O ATOM 407 CB SER A 27 -3.890 15.149 9.866 1.00 0.00 C ATOM 408 OG SER A 27 -3.672 16.348 10.620 1.00 0.00 O ATOM 0 H SER A 27 -3.180 16.590 7.167 1.00 0.00 H new ATOM 0 HA SER A 27 -4.961 14.569 8.064 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.608 14.519 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.958 14.587 9.806 1.00 0.00 H new ATOM 0 HG SER A 27 -3.347 16.117 11.515 1.00 0.00 H new ATOM 414 N ASP A 28 -4.846 17.782 8.610 1.00 0.00 N ATOM 415 CA ASP A 28 -5.646 18.982 8.833 1.00 0.00 C ATOM 416 C ASP A 28 -6.311 19.497 7.576 1.00 0.00 C ATOM 417 O ASP A 28 -7.392 20.131 7.659 1.00 0.00 O ATOM 418 CB ASP A 28 -4.773 20.082 9.499 1.00 0.00 C ATOM 419 CG ASP A 28 -3.445 20.431 8.810 1.00 0.00 C ATOM 420 OD1 ASP A 28 -3.448 20.150 7.473 1.00 0.00 O ATOM 421 OD2 ASP A 28 -2.499 20.929 9.404 1.00 0.00 O ATOM 0 H ASP A 28 -3.840 17.949 8.599 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.458 18.708 9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.369 20.992 9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.553 19.768 10.519 1.00 0.00 H new ATOM 426 N ASP A 29 -5.756 19.251 6.407 1.00 0.00 N ATOM 427 CA ASP A 29 -6.251 19.864 5.173 1.00 0.00 C ATOM 428 C ASP A 29 -6.646 18.851 4.122 1.00 0.00 C ATOM 429 O ASP A 29 -6.974 19.245 2.973 1.00 0.00 O ATOM 430 CB ASP A 29 -5.189 20.859 4.626 1.00 0.00 C ATOM 431 CG ASP A 29 -4.816 22.037 5.537 1.00 0.00 C ATOM 432 OD1 ASP A 29 -5.855 22.449 6.324 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.703 22.543 5.553 1.00 0.00 O ATOM 0 H ASP A 29 -4.958 18.629 6.276 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.166 20.404 5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.280 20.299 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.554 21.262 3.681 1.00 0.00 H new ATOM 438 N ILE A 30 -6.667 17.568 4.423 1.00 0.00 N ATOM 439 CA ILE A 30 -6.921 16.541 3.407 1.00 0.00 C ATOM 440 C ILE A 30 -8.399 16.263 3.264 1.00 0.00 C ATOM 441 O ILE A 30 -9.205 16.561 4.163 1.00 0.00 O ATOM 442 CB ILE A 30 -6.103 15.217 3.697 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.887 14.303 2.448 1.00 0.00 C ATOM 444 CG2 ILE A 30 -6.735 14.351 4.829 1.00 0.00 C ATOM 445 CD1 ILE A 30 -7.008 13.281 2.162 1.00 0.00 C ATOM 0 H ILE A 30 -6.512 17.201 5.362 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.569 16.932 2.453 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.131 15.594 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.769 14.940 1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.950 13.760 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.131 13.457 4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.770 14.929 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.746 14.061 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.754 12.701 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.115 12.611 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.947 13.808 1.994 1.00 0.00 H new ATOM 457 N ASP A 31 -8.799 15.710 2.132 1.00 0.00 N ATOM 458 CA ASP A 31 -10.199 15.352 1.905 1.00 0.00 C ATOM 459 C ASP A 31 -10.366 13.963 1.334 1.00 0.00 C ATOM 460 O ASP A 31 -10.946 13.054 1.975 1.00 0.00 O ATOM 461 CB ASP A 31 -10.871 16.419 0.993 1.00 0.00 C ATOM 462 CG ASP A 31 -12.394 16.315 0.829 1.00 0.00 C ATOM 463 OD1 ASP A 31 -12.927 15.601 -0.008 1.00 0.00 O ATOM 464 OD2 ASP A 31 -13.078 17.082 1.730 1.00 0.00 O ATOM 0 H ASP A 31 -8.178 15.497 1.352 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.696 15.339 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.637 17.406 1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.416 16.359 0.004 1.00 0.00 H new ATOM 469 N ASP A 32 -9.860 13.718 0.140 1.00 0.00 N ATOM 470 CA ASP A 32 -10.143 12.475 -0.584 1.00 0.00 C ATOM 471 C ASP A 32 -8.983 11.504 -0.581 1.00 0.00 C ATOM 472 O ASP A 32 -7.800 11.853 -0.692 1.00 0.00 O ATOM 473 CB ASP A 32 -10.592 12.811 -2.033 1.00 0.00 C ATOM 474 CG ASP A 32 -10.518 11.672 -3.060 1.00 0.00 C ATOM 475 OD1 ASP A 32 -9.239 11.404 -3.462 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.505 11.089 -3.482 1.00 0.00 O ATOM 0 H ASP A 32 -9.246 14.362 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.951 11.966 -0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.621 13.169 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.980 13.637 -2.396 1.00 0.00 H new ATOM 481 N ILE A 33 -9.321 10.226 -0.471 1.00 0.00 N ATOM 482 CA ILE A 33 -8.373 9.124 -0.597 1.00 0.00 C ATOM 483 C ILE A 33 -8.854 8.134 -1.639 1.00 0.00 C ATOM 484 O ILE A 33 -9.985 7.607 -1.522 1.00 0.00 O ATOM 485 CB ILE A 33 -8.099 8.394 0.786 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.762 9.303 2.017 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.960 7.329 0.668 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.459 10.677 2.096 1.00 0.00 C ATOM 0 H ILE A 33 -10.277 9.920 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.424 9.551 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.070 7.942 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.007 8.748 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.685 9.470 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.805 6.853 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.242 6.574 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.038 7.816 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.134 11.198 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.197 11.269 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.539 10.536 2.128 1.00 0.00 H new ATOM 500 N LYS A 34 -8.059 7.827 -2.646 1.00 0.00 N ATOM 501 CA LYS A 34 -8.507 6.961 -3.739 1.00 0.00 C ATOM 502 C LYS A 34 -7.525 5.848 -4.038 1.00 0.00 C ATOM 503 O LYS A 34 -6.298 5.979 -3.930 1.00 0.00 O ATOM 504 CB LYS A 34 -8.751 7.825 -5.007 1.00 0.00 C ATOM 505 CG LYS A 34 -9.588 7.104 -6.096 1.00 0.00 C ATOM 506 CD LYS A 34 -9.652 7.834 -7.441 1.00 0.00 C ATOM 507 CE LYS A 34 -9.775 6.808 -8.575 1.00 0.00 C ATOM 508 NZ LYS A 34 -10.870 5.870 -8.271 1.00 0.00 N ATOM 0 H LYS A 34 -7.099 8.160 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.435 6.481 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.260 8.744 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.789 8.113 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.171 6.110 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.603 6.967 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.504 8.514 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.757 8.441 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.968 7.316 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.838 6.264 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.204 5.429 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.526 5.133 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.654 6.385 -7.823 1.00 0.00 H new ATOM 522 N TRP A 35 -8.070 4.714 -4.451 1.00 0.00 N ATOM 523 CA TRP A 35 -7.294 3.576 -4.934 1.00 0.00 C ATOM 524 C TRP A 35 -8.014 2.896 -6.081 1.00 0.00 C ATOM 525 O TRP A 35 -9.188 2.511 -5.968 1.00 0.00 O ATOM 526 CB TRP A 35 -7.075 2.551 -3.789 1.00 0.00 C ATOM 527 CG TRP A 35 -5.904 2.805 -2.836 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.999 3.487 -1.600 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.604 2.354 -2.926 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.775 3.461 -0.904 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.929 2.752 -1.742 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.921 1.626 -3.935 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.580 2.384 -1.534 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.584 1.281 -3.708 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.941 1.608 -2.504 1.00 0.00 C ATOM 0 H TRP A 35 -9.077 4.553 -4.461 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.328 3.943 -5.282 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.989 2.506 -3.197 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.938 1.567 -4.238 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.896 3.966 -1.237 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.561 3.869 0.006 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.419 1.346 -4.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.054 2.696 -0.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.036 0.753 -4.474 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.936 1.254 -2.325 1.00 0.00 H new ATOM 546 N GLU A 36 -7.315 2.722 -7.185 1.00 0.00 N ATOM 547 CA GLU A 36 -7.894 2.142 -8.395 1.00 0.00 C ATOM 548 C GLU A 36 -7.231 0.827 -8.730 1.00 0.00 C ATOM 549 O GLU A 36 -6.116 0.527 -8.257 1.00 0.00 O ATOM 550 CB GLU A 36 -7.733 3.166 -9.553 1.00 0.00 C ATOM 551 CG GLU A 36 -8.899 3.292 -10.588 1.00 0.00 C ATOM 552 CD GLU A 36 -8.636 4.060 -11.886 1.00 0.00 C ATOM 553 OE1 GLU A 36 -7.641 4.984 -11.783 1.00 0.00 O ATOM 554 OE2 GLU A 36 -9.263 3.860 -12.918 1.00 0.00 O ATOM 0 H GLU A 36 -6.331 2.976 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.952 1.933 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.572 4.149 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.826 2.911 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.216 2.284 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.741 3.768 -10.085 1.00 0.00 H new ATOM 561 N LYS A 37 -7.865 0.026 -9.564 1.00 0.00 N ATOM 562 CA LYS A 37 -7.250 -1.209 -10.057 1.00 0.00 C ATOM 563 C LYS A 37 -6.620 -0.962 -11.407 1.00 0.00 C ATOM 564 O LYS A 37 -7.260 -1.167 -12.454 1.00 0.00 O ATOM 565 CB LYS A 37 -8.325 -2.328 -10.127 1.00 0.00 C ATOM 566 CG LYS A 37 -7.739 -3.754 -10.268 1.00 0.00 C ATOM 567 CD LYS A 37 -8.779 -4.879 -10.278 1.00 0.00 C ATOM 568 CE LYS A 37 -9.566 -4.852 -8.961 1.00 0.00 C ATOM 569 NZ LYS A 37 -11.010 -4.902 -9.251 1.00 0.00 N ATOM 0 H LYS A 37 -8.805 0.201 -9.919 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.464 -1.533 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.939 -2.285 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.985 -2.132 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.161 -3.804 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.044 -3.929 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.457 -4.756 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.287 -5.844 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.280 -5.698 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.328 -3.948 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.531 -5.138 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.326 -3.976 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.194 -5.628 -9.973 1.00 0.00 H new ATOM 583 N THR A 38 -5.368 -0.552 -11.423 1.00 0.00 N ATOM 584 CA THR A 38 -4.730 -0.059 -12.647 1.00 0.00 C ATOM 585 C THR A 38 -4.915 -0.988 -13.826 1.00 0.00 C ATOM 586 O THR A 38 -4.942 -0.535 -14.992 1.00 0.00 O ATOM 587 CB THR A 38 -3.204 0.225 -12.422 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.548 -0.926 -11.912 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.857 1.346 -11.419 1.00 0.00 C ATOM 0 H THR A 38 -4.762 -0.547 -10.603 1.00 0.00 H new ATOM 0 HA THR A 38 -5.235 0.876 -12.889 1.00 0.00 H new ATOM 0 HB THR A 38 -2.876 0.530 -13.416 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.169 -1.684 -11.914 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.774 1.449 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.289 2.287 -11.761 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.262 1.095 -10.439 1.00 0.00 H new ATOM 597 N SER A 39 -5.067 -2.277 -13.592 1.00 0.00 N ATOM 598 CA SER A 39 -5.124 -3.255 -14.679 1.00 0.00 C ATOM 599 C SER A 39 -6.214 -2.913 -15.668 1.00 0.00 C ATOM 600 O SER A 39 -6.013 -2.943 -16.895 1.00 0.00 O ATOM 601 CB SER A 39 -5.291 -4.692 -14.126 1.00 0.00 C ATOM 602 OG SER A 39 -5.601 -5.648 -15.147 1.00 0.00 O ATOM 0 H SER A 39 -5.154 -2.679 -12.659 1.00 0.00 H new ATOM 0 HA SER A 39 -4.175 -3.215 -15.214 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.372 -4.991 -13.622 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.083 -4.698 -13.377 1.00 0.00 H new ATOM 0 HG SER A 39 -5.694 -6.537 -14.745 1.00 0.00 H new ATOM 608 N ASP A 40 -7.396 -2.604 -15.169 1.00 0.00 N ATOM 609 CA ASP A 40 -8.508 -2.190 -16.022 1.00 0.00 C ATOM 610 C ASP A 40 -9.228 -0.979 -15.469 1.00 0.00 C ATOM 611 O ASP A 40 -10.448 -0.822 -15.661 1.00 0.00 O ATOM 612 CB ASP A 40 -9.480 -3.381 -16.236 1.00 0.00 C ATOM 613 CG ASP A 40 -10.112 -3.523 -17.628 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.187 -3.512 -18.635 1.00 0.00 O ATOM 615 OD2 ASP A 40 -11.315 -3.654 -17.804 1.00 0.00 O ATOM 0 H ASP A 40 -7.617 -2.630 -14.174 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.102 -1.892 -16.988 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.942 -4.302 -16.013 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.285 -3.297 -15.506 1.00 0.00 H new ATOM 620 N LYS A 41 -8.514 -0.115 -14.772 1.00 0.00 N ATOM 621 CA LYS A 41 -9.057 1.142 -14.254 1.00 0.00 C ATOM 622 C LYS A 41 -10.373 0.900 -13.552 1.00 0.00 C ATOM 623 O LYS A 41 -11.426 1.452 -13.899 1.00 0.00 O ATOM 624 CB LYS A 41 -9.205 2.168 -15.410 1.00 0.00 C ATOM 625 CG LYS A 41 -10.311 1.824 -16.436 1.00 0.00 C ATOM 626 CD LYS A 41 -10.913 3.029 -17.165 1.00 0.00 C ATOM 627 CE LYS A 41 -12.185 2.589 -17.902 1.00 0.00 C ATOM 628 NZ LYS A 41 -13.352 2.788 -17.025 1.00 0.00 N ATOM 0 H LYS A 41 -7.531 -0.261 -14.543 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.367 1.557 -13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.415 3.149 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.252 2.246 -15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.899 1.139 -17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.111 1.293 -15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.146 3.821 -16.453 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.192 3.439 -17.872 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.304 3.164 -18.820 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.107 1.541 -18.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.215 2.490 -17.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.238 2.221 -16.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.428 3.794 -16.771 1.00 0.00 H new ATOM 642 N LYS A 42 -10.326 0.035 -12.547 1.00 0.00 N ATOM 643 CA LYS A 42 -11.533 -0.424 -11.864 1.00 0.00 C ATOM 644 C LYS A 42 -11.520 -0.079 -10.391 1.00 0.00 C ATOM 645 O LYS A 42 -10.805 -0.673 -9.572 1.00 0.00 O ATOM 646 CB LYS A 42 -11.686 -1.957 -12.068 1.00 0.00 C ATOM 647 CG LYS A 42 -13.106 -2.384 -12.516 1.00 0.00 C ATOM 648 CD LYS A 42 -13.858 -3.266 -11.516 1.00 0.00 C ATOM 649 CE LYS A 42 -13.396 -4.721 -11.676 1.00 0.00 C ATOM 650 NZ LYS A 42 -14.238 -5.396 -12.679 1.00 0.00 N ATOM 0 H LYS A 42 -9.461 -0.366 -12.184 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.389 0.092 -12.299 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.964 -2.290 -12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.440 -2.466 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.697 -1.488 -12.704 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.027 -2.918 -13.463 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.671 -2.923 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.932 -3.193 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.351 -4.750 -11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.461 -5.242 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.925 -6.382 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.230 -5.380 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.154 -4.903 -13.591 1.00 0.00 H new ATOM 664 N LYS A 43 -12.358 0.878 -10.023 1.00 0.00 N ATOM 665 CA LYS A 43 -12.493 1.362 -8.653 1.00 0.00 C ATOM 666 C LYS A 43 -12.529 0.229 -7.653 1.00 0.00 C ATOM 667 O LYS A 43 -13.272 -0.752 -7.796 1.00 0.00 O ATOM 668 CB LYS A 43 -13.784 2.226 -8.540 1.00 0.00 C ATOM 669 CG LYS A 43 -15.025 1.409 -8.102 1.00 0.00 C ATOM 670 CD LYS A 43 -16.362 2.149 -8.201 1.00 0.00 C ATOM 671 CE LYS A 43 -16.122 3.593 -8.660 1.00 0.00 C ATOM 672 NZ LYS A 43 -17.416 4.228 -8.974 1.00 0.00 N ATOM 0 H LYS A 43 -12.977 1.351 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.618 1.968 -8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.614 3.030 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.986 2.694 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.081 0.508 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.882 1.087 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.020 1.638 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.864 2.144 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.609 4.154 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.476 3.605 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.256 5.207 -9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.889 3.696 -9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.017 4.229 -8.125 1.00 0.00 H new ATOM 686 N ILE A 44 -11.708 0.349 -6.623 1.00 0.00 N ATOM 687 CA ILE A 44 -11.660 -0.638 -5.549 1.00 0.00 C ATOM 688 C ILE A 44 -11.973 -0.008 -4.211 1.00 0.00 C ATOM 689 O ILE A 44 -12.623 -0.617 -3.343 1.00 0.00 O ATOM 690 CB ILE A 44 -10.272 -1.400 -5.533 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.115 -0.636 -4.812 1.00 0.00 C ATOM 692 CG2 ILE A 44 -9.780 -1.787 -6.962 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.684 -1.070 -5.191 1.00 0.00 C ATOM 0 H ILE A 44 -11.059 1.127 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.433 -1.381 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.495 -2.297 -4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.220 0.428 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.239 -0.760 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.825 -2.307 -6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.513 -2.440 -7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.658 -0.885 -7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.963 -0.474 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.548 -2.124 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.529 -0.918 -6.259 1.00 0.00 H new ATOM 705 N ALA A 45 -11.535 1.221 -4.011 1.00 0.00 N ATOM 706 CA ALA A 45 -11.758 1.925 -2.748 1.00 0.00 C ATOM 707 C ALA A 45 -11.780 3.419 -2.968 1.00 0.00 C ATOM 708 O ALA A 45 -11.175 3.921 -3.944 1.00 0.00 O ATOM 709 CB ALA A 45 -10.658 1.482 -1.768 1.00 0.00 C ATOM 0 H ALA A 45 -11.020 1.760 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.730 1.674 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.795 1.990 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.717 0.404 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.681 1.738 -2.178 1.00 0.00 H new ATOM 715 N GLN A 46 -12.469 4.165 -2.117 1.00 0.00 N ATOM 716 CA GLN A 46 -12.404 5.629 -2.198 1.00 0.00 C ATOM 717 C GLN A 46 -12.925 6.325 -0.958 1.00 0.00 C ATOM 718 O GLN A 46 -13.710 5.806 -0.154 1.00 0.00 O ATOM 719 CB GLN A 46 -13.194 6.089 -3.445 1.00 0.00 C ATOM 720 CG GLN A 46 -12.678 7.400 -4.129 1.00 0.00 C ATOM 721 CD GLN A 46 -13.594 8.172 -5.086 1.00 0.00 C ATOM 722 OE1 GLN A 46 -13.143 8.751 -6.062 1.00 0.00 O ATOM 723 NE2 GLN A 46 -14.879 8.240 -4.849 1.00 0.00 N ATOM 0 H GLN A 46 -13.068 3.799 -1.377 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.354 5.910 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.176 5.285 -4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.236 6.236 -3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.384 8.087 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.773 7.145 -4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.274 7.763 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.486 8.770 -5.475 1.00 0.00 H new ATOM 732 N PHE A 47 -12.490 7.568 -0.797 1.00 0.00 N ATOM 733 CA PHE A 47 -12.971 8.472 0.242 1.00 0.00 C ATOM 734 C PHE A 47 -13.279 9.832 -0.343 1.00 0.00 C ATOM 735 O PHE A 47 -12.440 10.437 -1.039 1.00 0.00 O ATOM 736 CB PHE A 47 -11.887 8.646 1.350 1.00 0.00 C ATOM 737 CG PHE A 47 -12.043 7.794 2.620 1.00 0.00 C ATOM 738 CD1 PHE A 47 -12.848 8.224 3.678 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.318 6.604 2.745 1.00 0.00 C ATOM 740 CE1 PHE A 47 -12.900 7.488 4.859 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.366 5.873 3.927 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.155 6.317 4.986 1.00 0.00 C ATOM 0 H PHE A 47 -11.778 7.985 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.876 8.041 0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.915 8.424 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.871 9.695 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.431 9.128 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.718 6.251 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.519 7.825 5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.793 4.963 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.189 5.753 5.906 1.00 0.00 H new ATOM 752 N ARG A 48 -14.456 10.361 -0.070 1.00 0.00 N ATOM 753 CA ARG A 48 -14.840 11.682 -0.569 1.00 0.00 C ATOM 754 C ARG A 48 -15.565 12.470 0.495 1.00 0.00 C ATOM 755 O ARG A 48 -16.718 12.901 0.311 1.00 0.00 O ATOM 756 CB ARG A 48 -15.714 11.509 -1.842 1.00 0.00 C ATOM 757 CG ARG A 48 -15.758 12.742 -2.784 1.00 0.00 C ATOM 758 CD ARG A 48 -16.772 13.799 -2.328 1.00 0.00 C ATOM 759 NE ARG A 48 -17.274 14.518 -3.526 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.701 15.576 -4.085 1.00 0.00 C ATOM 761 NH1 ARG A 48 -15.574 16.093 -3.693 1.00 0.00 N ATOM 762 NH2 ARG A 48 -17.307 16.123 -5.079 1.00 0.00 N ATOM 0 H ARG A 48 -15.169 9.901 0.495 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.945 12.247 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.342 10.654 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.732 11.269 -1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.767 13.193 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.009 12.415 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.598 13.327 -1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.304 14.498 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.131 14.169 -3.955 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.071 15.683 -2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.193 16.909 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.194 15.741 -5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.901 16.939 -5.538 1.00 0.00 H new ATOM 776 N LYS A 49 -14.932 12.655 1.637 1.00 0.00 N ATOM 777 CA LYS A 49 -15.593 13.279 2.784 1.00 0.00 C ATOM 778 C LYS A 49 -16.656 12.337 3.321 1.00 0.00 C ATOM 779 O LYS A 49 -16.929 11.251 2.789 1.00 0.00 O ATOM 780 CB LYS A 49 -16.132 14.674 2.363 1.00 0.00 C ATOM 781 CG LYS A 49 -17.657 14.812 2.141 1.00 0.00 C ATOM 782 CD LYS A 49 -18.420 15.445 3.309 1.00 0.00 C ATOM 783 CE LYS A 49 -17.864 16.852 3.569 1.00 0.00 C ATOM 784 NZ LYS A 49 -17.177 16.875 4.873 1.00 0.00 N ATOM 0 H LYS A 49 -13.962 12.385 1.803 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.897 13.453 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.837 15.393 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.630 14.964 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.827 15.411 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.073 13.823 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.484 15.498 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.318 14.829 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.171 17.133 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.673 17.582 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.477 17.644 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.873 17.031 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.695 15.966 5.028 1.00 0.00 H new ATOM 798 N GLU A 50 -17.238 12.733 4.443 1.00 0.00 N ATOM 799 CA GLU A 50 -18.231 11.907 5.131 1.00 0.00 C ATOM 800 C GLU A 50 -19.628 12.012 4.553 1.00 0.00 C ATOM 801 O GLU A 50 -20.630 11.965 5.299 1.00 0.00 O ATOM 802 CB GLU A 50 -18.232 12.314 6.634 1.00 0.00 C ATOM 803 CG GLU A 50 -18.640 11.217 7.671 1.00 0.00 C ATOM 804 CD GLU A 50 -18.958 11.652 9.104 1.00 0.00 C ATOM 805 OE1 GLU A 50 -20.244 12.063 9.280 1.00 0.00 O ATOM 806 OE2 GLU A 50 -18.130 11.630 10.005 1.00 0.00 O ATOM 0 H GLU A 50 -17.042 13.623 4.901 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.947 10.863 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.232 12.665 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.908 13.161 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.515 10.699 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.832 10.487 7.717 1.00 0.00 H new ATOM 813 N LYS A 51 -19.760 12.130 3.249 1.00 0.00 N ATOM 814 CA LYS A 51 -21.055 12.055 2.550 1.00 0.00 C ATOM 815 C LYS A 51 -21.140 10.939 1.508 1.00 0.00 C ATOM 816 O LYS A 51 -22.204 10.629 0.962 1.00 0.00 O ATOM 817 CB LYS A 51 -21.299 13.415 1.841 1.00 0.00 C ATOM 818 CG LYS A 51 -22.757 13.924 1.927 1.00 0.00 C ATOM 819 CD LYS A 51 -22.915 15.444 2.031 1.00 0.00 C ATOM 820 CE LYS A 51 -21.960 16.126 1.043 1.00 0.00 C ATOM 821 NZ LYS A 51 -22.219 15.624 -0.318 1.00 0.00 N ATOM 0 H LYS A 51 -18.969 12.283 2.623 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.811 11.832 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.639 14.164 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.021 13.319 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.297 13.579 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.234 13.466 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.944 15.729 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.700 15.774 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.097 17.207 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.926 15.927 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.158 16.411 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.512 14.902 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.170 15.205 -0.358 1.00 0.00 H new ATOM 835 N GLU A 52 -19.991 10.332 1.269 1.00 0.00 N ATOM 836 CA GLU A 52 -19.868 9.280 0.267 1.00 0.00 C ATOM 837 C GLU A 52 -18.471 8.706 0.212 1.00 0.00 C ATOM 838 O GLU A 52 -17.618 9.114 -0.590 1.00 0.00 O ATOM 839 CB GLU A 52 -20.281 9.868 -1.114 1.00 0.00 C ATOM 840 CG GLU A 52 -20.683 8.845 -2.228 1.00 0.00 C ATOM 841 CD GLU A 52 -21.372 9.370 -3.489 1.00 0.00 C ATOM 842 OE1 GLU A 52 -20.534 10.022 -4.341 1.00 0.00 O ATOM 843 OE2 GLU A 52 -22.566 9.216 -3.708 1.00 0.00 O ATOM 0 H GLU A 52 -19.122 10.549 1.757 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.527 8.455 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.120 10.545 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.452 10.469 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.779 8.321 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.341 8.104 -1.775 1.00 0.00 H new ATOM 850 N THR A 53 -18.209 7.738 1.069 1.00 0.00 N ATOM 851 CA THR A 53 -16.979 6.946 1.040 1.00 0.00 C ATOM 852 C THR A 53 -17.324 5.474 1.007 1.00 0.00 C ATOM 853 O THR A 53 -18.381 5.084 1.582 1.00 0.00 O ATOM 854 CB THR A 53 -16.058 7.279 2.262 1.00 0.00 C ATOM 855 OG1 THR A 53 -14.983 6.352 2.342 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.722 7.224 3.654 1.00 0.00 C ATOM 0 H THR A 53 -18.848 7.470 1.817 1.00 0.00 H new ATOM 0 HA THR A 53 -16.422 7.200 0.138 1.00 0.00 H new ATOM 0 HB THR A 53 -15.758 8.307 2.059 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.170 6.818 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.986 7.473 4.418 1.00 0.00 H new ATOM 0 HG22 THR A 53 -17.543 7.940 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.107 6.220 3.834 1.00 0.00 H new ATOM 864 N PHE A 54 -16.523 4.615 0.407 1.00 0.00 N ATOM 865 CA PHE A 54 -16.928 3.219 0.216 1.00 0.00 C ATOM 866 C PHE A 54 -15.777 2.230 0.145 1.00 0.00 C ATOM 867 O PHE A 54 -14.622 2.520 -0.194 1.00 0.00 O ATOM 868 CB PHE A 54 -17.756 3.091 -1.097 1.00 0.00 C ATOM 869 CG PHE A 54 -17.030 3.294 -2.435 1.00 0.00 C ATOM 870 CD1 PHE A 54 -15.692 3.687 -2.492 1.00 0.00 C ATOM 871 CD2 PHE A 54 -17.717 3.014 -3.628 1.00 0.00 C ATOM 872 CE1 PHE A 54 -15.036 3.761 -3.718 1.00 0.00 C ATOM 873 CE2 PHE A 54 -17.059 3.085 -4.850 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.717 3.454 -4.895 1.00 0.00 C ATOM 0 H PHE A 54 -15.598 4.846 0.044 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.513 2.964 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.208 2.099 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.572 3.812 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.164 3.934 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.762 2.742 -3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.998 4.057 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.588 2.854 -5.763 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.203 3.502 -5.844 1.00 0.00 H new ATOM 884 N LYS A 55 -16.113 0.982 0.457 1.00 0.00 N ATOM 885 CA LYS A 55 -15.222 -0.168 0.338 1.00 0.00 C ATOM 886 C LYS A 55 -16.023 -1.456 0.325 1.00 0.00 C ATOM 887 O LYS A 55 -16.477 -1.934 1.380 1.00 0.00 O ATOM 888 CB LYS A 55 -14.205 -0.158 1.511 1.00 0.00 C ATOM 889 CG LYS A 55 -14.693 0.657 2.737 1.00 0.00 C ATOM 890 CD LYS A 55 -13.706 0.728 3.906 1.00 0.00 C ATOM 891 CE LYS A 55 -14.346 1.517 5.056 1.00 0.00 C ATOM 892 NZ LYS A 55 -13.344 1.749 6.112 1.00 0.00 N ATOM 0 H LYS A 55 -17.038 0.736 0.809 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.674 -0.106 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.007 -1.184 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.260 0.257 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.920 1.672 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.626 0.221 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.444 -0.276 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.781 1.210 3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.729 2.469 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.195 0.966 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.778 2.284 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.998 0.836 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.547 2.292 5.721 1.00 0.00 H new ATOM 906 N GLU A 56 -16.237 -2.024 -0.846 1.00 0.00 N ATOM 907 CA GLU A 56 -17.138 -3.162 -1.030 1.00 0.00 C ATOM 908 C GLU A 56 -16.919 -4.251 -0.005 1.00 0.00 C ATOM 909 O GLU A 56 -17.881 -4.769 0.598 1.00 0.00 O ATOM 910 CB GLU A 56 -16.950 -3.713 -2.473 1.00 0.00 C ATOM 911 CG GLU A 56 -15.495 -4.050 -2.941 1.00 0.00 C ATOM 912 CD GLU A 56 -15.318 -5.015 -4.117 1.00 0.00 C ATOM 913 OE1 GLU A 56 -15.558 -4.704 -5.276 1.00 0.00 O ATOM 914 OE2 GLU A 56 -14.870 -6.248 -3.750 1.00 0.00 O ATOM 0 H GLU A 56 -15.790 -1.711 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.162 -2.817 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.550 -4.618 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.364 -2.982 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.004 -3.113 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.958 -4.464 -2.087 1.00 0.00 H new ATOM 921 N LYS A 57 -15.680 -4.647 0.215 1.00 0.00 N ATOM 922 CA LYS A 57 -15.376 -5.780 1.086 1.00 0.00 C ATOM 923 C LYS A 57 -14.012 -5.621 1.716 1.00 0.00 C ATOM 924 O LYS A 57 -13.276 -4.658 1.461 1.00 0.00 O ATOM 925 CB LYS A 57 -15.472 -7.100 0.271 1.00 0.00 C ATOM 926 CG LYS A 57 -16.512 -7.044 -0.876 1.00 0.00 C ATOM 927 CD LYS A 57 -16.633 -8.329 -1.700 1.00 0.00 C ATOM 928 CE LYS A 57 -17.608 -9.290 -1.006 1.00 0.00 C ATOM 929 NZ LYS A 57 -17.366 -10.663 -1.484 1.00 0.00 N ATOM 0 H LYS A 57 -14.860 -4.202 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.105 -5.816 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.493 -7.331 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.730 -7.916 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.488 -6.809 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.250 -6.224 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.986 -8.098 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.655 -8.799 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.477 -9.241 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.637 -8.996 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.026 -11.315 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.512 -10.703 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.389 -10.941 -1.262 1.00 0.00 H new ATOM 943 N ASP A 58 -13.664 -6.562 2.578 1.00 0.00 N ATOM 944 CA ASP A 58 -12.323 -6.600 3.163 1.00 0.00 C ATOM 945 C ASP A 58 -11.249 -6.820 2.118 1.00 0.00 C ATOM 946 O ASP A 58 -10.097 -6.389 2.265 1.00 0.00 O ATOM 947 CB ASP A 58 -12.247 -7.675 4.279 1.00 0.00 C ATOM 948 CG ASP A 58 -13.343 -7.658 5.352 1.00 0.00 C ATOM 949 OD1 ASP A 58 -14.496 -7.316 5.129 1.00 0.00 O ATOM 950 OD2 ASP A 58 -12.885 -8.040 6.584 1.00 0.00 O ATOM 0 H ASP A 58 -14.284 -7.309 2.891 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.133 -5.623 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.257 -8.656 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.284 -7.573 4.780 1.00 0.00 H new ATOM 955 N THR A 59 -11.622 -7.518 1.061 1.00 0.00 N ATOM 956 CA THR A 59 -10.700 -7.818 -0.029 1.00 0.00 C ATOM 957 C THR A 59 -10.007 -6.568 -0.513 1.00 0.00 C ATOM 958 O THR A 59 -8.951 -6.625 -1.168 1.00 0.00 O ATOM 959 CB THR A 59 -11.447 -8.508 -1.224 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.534 -8.795 -2.277 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.574 -7.694 -1.896 1.00 0.00 C ATOM 0 H THR A 59 -12.562 -7.892 0.930 1.00 0.00 H new ATOM 0 HA THR A 59 -9.949 -8.506 0.359 1.00 0.00 H new ATOM 0 HB THR A 59 -11.891 -9.384 -0.751 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.330 -7.971 -2.767 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.012 -8.278 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.343 -7.461 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.164 -6.767 -2.298 1.00 0.00 H new ATOM 969 N TYR A 60 -10.601 -5.419 -0.252 1.00 0.00 N ATOM 970 CA TYR A 60 -9.941 -4.145 -0.543 1.00 0.00 C ATOM 971 C TYR A 60 -10.342 -3.077 0.448 1.00 0.00 C ATOM 972 O TYR A 60 -11.419 -2.464 0.343 1.00 0.00 O ATOM 973 CB TYR A 60 -10.315 -3.639 -1.966 1.00 0.00 C ATOM 974 CG TYR A 60 -9.571 -4.287 -3.140 1.00 0.00 C ATOM 975 CD1 TYR A 60 -9.909 -5.571 -3.578 1.00 0.00 C ATOM 976 CD2 TYR A 60 -8.537 -3.593 -3.776 1.00 0.00 C ATOM 977 CE1 TYR A 60 -9.157 -6.189 -4.575 1.00 0.00 C ATOM 978 CE2 TYR A 60 -7.787 -4.212 -4.772 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.096 -5.511 -5.167 1.00 0.00 C ATOM 980 OH TYR A 60 -7.358 -6.122 -6.142 1.00 0.00 O ATOM 0 H TYR A 60 -11.531 -5.333 0.157 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.868 -4.326 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.384 -3.793 -2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.140 -2.564 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.754 -6.084 -3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.320 -2.574 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.398 -7.194 -4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.967 -3.686 -5.238 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.697 -5.491 -6.496 1.00 0.00 H new ATOM 990 N LYS A 61 -9.500 -2.834 1.435 1.00 0.00 N ATOM 991 CA LYS A 61 -9.797 -1.880 2.502 1.00 0.00 C ATOM 992 C LYS A 61 -9.138 -0.542 2.256 1.00 0.00 C ATOM 993 O LYS A 61 -8.093 -0.438 1.599 1.00 0.00 O ATOM 994 CB LYS A 61 -9.330 -2.475 3.861 1.00 0.00 C ATOM 995 CG LYS A 61 -10.368 -3.400 4.544 1.00 0.00 C ATOM 996 CD LYS A 61 -10.434 -3.277 6.069 1.00 0.00 C ATOM 997 CE LYS A 61 -9.216 -3.976 6.689 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.665 -5.122 7.498 1.00 0.00 N ATOM 0 H LYS A 61 -8.591 -3.288 1.525 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.873 -1.708 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.410 -3.037 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.089 -1.656 4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.354 -3.182 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.137 -4.434 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.452 -2.227 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.354 -3.727 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.539 -4.314 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.659 -3.275 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.840 -5.595 7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.294 -4.787 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.179 -5.794 6.893 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.748 0.516 2.756 1.00 0.00 N ATOM 1013 CA LEU A 62 -9.171 1.862 2.761 1.00 0.00 C ATOM 1014 C LEU A 62 -8.963 2.318 4.190 1.00 0.00 C ATOM 1015 O LEU A 62 -9.948 2.401 4.965 1.00 0.00 O ATOM 1016 CB LEU A 62 -10.073 2.857 1.978 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.452 3.626 0.780 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -10.477 4.492 0.030 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -8.288 4.503 1.264 1.00 0.00 C ATOM 0 H LEU A 62 -10.675 0.471 3.179 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.205 1.837 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.935 2.303 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.449 3.594 2.687 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.090 2.876 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.985 5.005 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.273 3.858 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.901 5.228 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.859 5.038 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.654 5.220 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.524 3.874 1.720 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.751 2.627 4.607 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.467 2.889 6.020 1.00 0.00 C ATOM 1033 C PHE A 63 -7.262 4.358 6.321 1.00 0.00 C ATOM 1034 O PHE A 63 -7.292 5.242 5.454 1.00 0.00 O ATOM 1035 CB PHE A 63 -6.177 2.120 6.445 1.00 0.00 C ATOM 1036 CG PHE A 63 -6.241 0.587 6.371 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.769 -0.139 7.445 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.800 -0.091 5.232 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.844 -1.526 7.385 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.874 -1.480 5.175 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.394 -2.197 6.250 1.00 0.00 C ATOM 0 H PHE A 63 -6.940 2.705 3.993 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.339 2.550 6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.354 2.459 5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.932 2.403 7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.120 0.381 8.324 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.401 0.463 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.250 -2.082 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.528 -2.003 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.448 -3.275 6.204 1.00 0.00 H new ATOM 1051 N LYS A 64 -7.020 4.637 7.594 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.879 5.997 8.103 1.00 0.00 C ATOM 1053 C LYS A 64 -5.568 6.608 7.670 1.00 0.00 C ATOM 1054 O LYS A 64 -5.519 7.706 7.091 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.995 5.983 9.654 1.00 0.00 C ATOM 1056 CG LYS A 64 -7.776 7.188 10.236 1.00 0.00 C ATOM 1057 CD LYS A 64 -7.250 7.709 11.576 1.00 0.00 C ATOM 1058 CE LYS A 64 -8.323 8.586 12.236 1.00 0.00 C ATOM 1059 NZ LYS A 64 -9.354 7.726 12.843 1.00 0.00 N ATOM 0 H LYS A 64 -6.915 3.919 8.311 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.678 6.612 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.486 5.061 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.993 5.970 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.752 8.002 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.820 6.901 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.994 6.874 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.337 8.285 11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.871 9.222 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.775 9.246 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.297 8.086 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.249 6.754 12.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.245 7.730 13.877 1.00 0.00 H new ATOM 1073 N ASN A 65 -4.471 5.927 7.958 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.161 6.352 7.468 1.00 0.00 C ATOM 1075 C ASN A 65 -3.111 6.338 5.957 1.00 0.00 C ATOM 1076 O ASN A 65 -2.125 6.817 5.353 1.00 0.00 O ATOM 1077 CB ASN A 65 -2.049 5.446 8.073 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.058 3.951 7.744 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.036 3.532 6.597 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -2.062 3.060 8.759 1.00 0.00 N ATOM 0 H ASN A 65 -4.456 5.080 8.526 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.988 7.379 7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.087 5.848 7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.095 5.546 9.157 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.047 2.060 8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.080 3.387 9.725 1.00 0.00 H new ATOM 1086 N GLY A 66 -4.116 5.800 5.294 1.00 0.00 N ATOM 1087 CA GLY A 66 -4.217 5.892 3.840 1.00 0.00 C ATOM 1088 C GLY A 66 -3.724 4.647 3.143 1.00 0.00 C ATOM 1089 O GLY A 66 -3.621 4.628 1.897 1.00 0.00 O ATOM 0 H GLY A 66 -4.881 5.291 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.256 6.072 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.641 6.750 3.493 1.00 0.00 H new ATOM 1093 N THR A 67 -3.433 3.578 3.859 1.00 0.00 N ATOM 1094 CA THR A 67 -3.003 2.319 3.244 1.00 0.00 C ATOM 1095 C THR A 67 -4.181 1.583 2.655 1.00 0.00 C ATOM 1096 O THR A 67 -5.337 1.755 3.080 1.00 0.00 O ATOM 1097 CB THR A 67 -2.264 1.431 4.301 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.859 1.637 4.234 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.439 -0.096 4.156 1.00 0.00 C ATOM 0 H THR A 67 -3.485 3.548 4.877 1.00 0.00 H new ATOM 0 HA THR A 67 -2.310 2.544 2.434 1.00 0.00 H new ATOM 0 HB THR A 67 -2.726 1.748 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.414 1.075 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.881 -0.603 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.496 -0.351 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.064 -0.415 3.183 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.926 0.763 1.652 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.954 -0.103 1.079 1.00 0.00 C ATOM 1109 C LEU A 68 -4.636 -1.560 1.316 1.00 0.00 C ATOM 1110 O LEU A 68 -3.622 -2.100 0.851 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.131 0.186 -0.440 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.186 -0.641 -1.224 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.570 0.011 -1.093 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.831 -0.800 -2.712 1.00 0.00 C ATOM 0 H LEU A 68 -3.011 0.675 1.211 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.896 0.117 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.384 1.240 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.165 0.037 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.196 -1.638 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.303 -0.576 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.856 0.051 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.535 1.022 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.603 -1.386 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.766 0.183 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.872 -1.310 -2.805 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.515 -2.237 2.034 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.328 -3.652 2.340 1.00 0.00 C ATOM 1128 C LYS A 69 -5.954 -4.526 1.279 1.00 0.00 C ATOM 1129 O LYS A 69 -6.773 -4.082 0.463 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.929 -3.965 3.738 1.00 0.00 C ATOM 1131 CG LYS A 69 -5.349 -5.246 4.387 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.332 -6.415 4.492 1.00 0.00 C ATOM 1133 CE LYS A 69 -6.752 -6.592 5.957 1.00 0.00 C ATOM 1134 NZ LYS A 69 -5.730 -7.382 6.668 1.00 0.00 N ATOM 0 H LYS A 69 -6.369 -1.832 2.419 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.260 -3.869 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.749 -3.118 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.010 -4.072 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.483 -5.569 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.991 -5.000 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.207 -6.226 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.869 -7.329 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.871 -5.619 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.718 -7.094 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.074 -7.618 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.540 -8.258 6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.854 -6.827 6.745 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.554 -5.785 1.261 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.168 -6.785 0.393 1.00 0.00 C ATOM 1150 C ILE A 70 -6.111 -8.154 1.030 1.00 0.00 C ATOM 1151 O ILE A 70 -5.025 -8.642 1.404 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.524 -6.792 -1.055 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.088 -5.392 -1.599 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.453 -7.452 -2.121 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -4.048 -5.410 -2.741 1.00 0.00 C ATOM 0 H ILE A 70 -4.798 -6.146 1.843 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.216 -6.512 0.269 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.622 -7.387 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.976 -4.867 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.681 -4.812 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.963 -7.430 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.653 -8.486 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.393 -6.902 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.819 -4.387 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.137 -5.900 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.453 -5.955 -3.593 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.252 -8.799 1.194 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.287 -10.147 1.762 1.00 0.00 C ATOM 1169 C LYS A 71 -7.312 -11.202 0.678 1.00 0.00 C ATOM 1170 O LYS A 71 -7.873 -11.000 -0.408 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.521 -10.286 2.695 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.906 -11.758 2.991 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.656 -11.980 4.307 1.00 0.00 C ATOM 1174 CE LYS A 71 -8.725 -12.673 5.311 1.00 0.00 C ATOM 1175 NZ LYS A 71 -8.074 -11.657 6.157 1.00 0.00 N ATOM 0 H LYS A 71 -8.165 -8.419 0.945 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.378 -10.302 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.315 -9.776 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.372 -9.781 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.523 -12.128 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.997 -12.360 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.998 -11.026 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.543 -12.590 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.292 -13.368 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.973 -13.258 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.443 -12.125 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.520 -11.011 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.799 -11.117 6.671 1.00 0.00 H new ATOM 1189 N HIS A 72 -6.740 -12.354 0.982 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.657 -13.462 0.031 1.00 0.00 C ATOM 1191 C HIS A 72 -5.854 -13.071 -1.186 1.00 0.00 C ATOM 1192 O HIS A 72 -6.256 -12.268 -2.040 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.109 -13.807 -0.351 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.257 -15.199 -0.893 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -8.275 -16.370 -0.140 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -8.408 -15.462 -2.247 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.447 -17.273 -1.124 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -8.535 -16.818 -2.404 1.00 0.00 N ATOM 0 H HIS A 72 -6.320 -12.553 1.890 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.150 -14.322 0.469 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.746 -13.695 0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.463 -13.094 -1.095 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.184 -16.505 0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.423 -14.727 -3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.513 -18.328 -0.904 1.00 0.00 H new ATOM 1207 N LEU A 73 -4.672 -13.666 -1.311 1.00 0.00 N ATOM 1208 CA LEU A 73 -3.692 -13.248 -2.308 1.00 0.00 C ATOM 1209 C LEU A 73 -3.040 -14.391 -3.051 1.00 0.00 C ATOM 1210 O LEU A 73 -1.846 -14.684 -2.899 1.00 0.00 O ATOM 1211 CB LEU A 73 -2.598 -12.369 -1.622 1.00 0.00 C ATOM 1212 CG LEU A 73 -3.001 -10.903 -1.280 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -3.097 -10.074 -2.568 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -4.320 -10.799 -0.491 1.00 0.00 C ATOM 0 H LEU A 73 -4.368 -14.446 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.239 -12.677 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.291 -12.863 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.725 -12.340 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.218 -10.508 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.379 -9.050 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.131 -10.073 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.849 -10.509 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.540 -9.751 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.130 -11.232 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.224 -11.340 0.451 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.823 -15.044 -3.895 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.291 -16.041 -4.819 1.00 0.00 C ATOM 1228 C LYS A 74 -2.998 -15.412 -6.165 1.00 0.00 C ATOM 1229 O LYS A 74 -3.022 -14.183 -6.333 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.269 -17.239 -4.975 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.691 -16.989 -4.412 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.647 -18.179 -4.557 1.00 0.00 C ATOM 1233 CE LYS A 74 -5.870 -19.395 -5.083 1.00 0.00 C ATOM 1234 NZ LYS A 74 -6.765 -20.564 -5.139 1.00 0.00 N ATOM 0 H LYS A 74 -4.831 -14.903 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.358 -16.423 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.350 -17.489 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.842 -18.107 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.610 -16.730 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.123 -16.127 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.103 -18.413 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.458 -17.928 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.469 -19.183 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.020 -19.605 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.239 -21.387 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.127 -20.770 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.562 -20.361 -5.775 1.00 0.00 H new ATOM 1248 N THR A 75 -2.686 -16.243 -7.142 1.00 0.00 N ATOM 1249 CA THR A 75 -2.407 -15.757 -8.496 1.00 0.00 C ATOM 1250 C THR A 75 -3.515 -14.871 -9.028 1.00 0.00 C ATOM 1251 O THR A 75 -3.306 -13.967 -9.848 1.00 0.00 O ATOM 1252 CB THR A 75 -2.163 -16.963 -9.465 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.919 -17.589 -9.180 1.00 0.00 O ATOM 1254 CG2 THR A 75 -2.091 -16.627 -10.971 1.00 0.00 C ATOM 0 H THR A 75 -2.618 -17.255 -7.032 1.00 0.00 H new ATOM 0 HA THR A 75 -1.505 -15.148 -8.442 1.00 0.00 H new ATOM 0 HB THR A 75 -3.038 -17.588 -9.287 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.783 -18.341 -9.793 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.919 -17.541 -11.540 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.030 -16.173 -11.288 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.273 -15.929 -11.149 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.718 -15.123 -8.541 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.903 -14.383 -8.961 1.00 0.00 C ATOM 1264 C ASP A 76 -5.943 -13.011 -8.330 1.00 0.00 C ATOM 1265 O ASP A 76 -6.287 -12.007 -8.975 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.185 -15.200 -8.647 1.00 0.00 C ATOM 1267 CG ASP A 76 -8.029 -14.729 -7.454 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.788 -13.773 -7.511 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -7.857 -15.507 -6.343 1.00 0.00 O ATOM 0 H ASP A 76 -4.904 -15.844 -7.844 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.855 -14.234 -10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.818 -15.194 -9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.894 -16.235 -8.470 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.611 -12.934 -7.053 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.667 -11.669 -6.323 1.00 0.00 C ATOM 1276 C ASP A 77 -4.396 -10.865 -6.480 1.00 0.00 C ATOM 1277 O ASP A 77 -4.194 -9.855 -5.765 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.007 -11.928 -4.831 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.502 -11.996 -4.480 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.061 -13.209 -4.769 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.112 -11.057 -3.989 1.00 0.00 O ATOM 0 H ASP A 77 -5.299 -13.729 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.464 -11.064 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.541 -12.867 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.550 -11.140 -4.233 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.506 -11.248 -7.374 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.327 -10.437 -7.689 1.00 0.00 C ATOM 1288 C GLN A 78 -2.580 -9.554 -8.886 1.00 0.00 C ATOM 1289 O GLN A 78 -2.830 -10.028 -10.006 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.129 -11.381 -7.934 1.00 0.00 C ATOM 1291 CG GLN A 78 0.075 -10.793 -8.742 1.00 0.00 C ATOM 1292 CD GLN A 78 0.262 -11.206 -10.208 1.00 0.00 C ATOM 1293 OE1 GLN A 78 -0.356 -10.653 -11.104 1.00 0.00 O ATOM 1294 NE2 GLN A 78 1.076 -12.184 -10.512 1.00 0.00 N ATOM 0 H GLN A 78 -3.570 -12.118 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.103 -9.778 -6.850 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.757 -11.717 -6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.493 -12.264 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.010 -9.707 -8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.988 -11.055 -8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.601 -12.658 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.186 -12.473 -11.484 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.544 -8.251 -8.677 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.907 -7.293 -9.717 1.00 0.00 C ATOM 1305 C ASP A 79 -2.031 -6.061 -9.667 1.00 0.00 C ATOM 1306 O ASP A 79 -1.027 -5.992 -8.945 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.411 -6.928 -9.610 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.213 -6.929 -10.919 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.184 -7.854 -11.718 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -5.935 -5.782 -11.100 1.00 0.00 O ATOM 0 H ASP A 79 -2.266 -7.825 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.738 -7.762 -10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.883 -7.628 -8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.490 -5.937 -9.163 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.395 -5.074 -10.467 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.741 -3.768 -10.438 1.00 0.00 C ATOM 1317 C ILE A 80 -2.686 -2.724 -9.876 1.00 0.00 C ATOM 1318 O ILE A 80 -3.900 -2.719 -10.125 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.148 -3.397 -11.859 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.479 -4.591 -12.614 1.00 0.00 C ATOM 1321 CG2 ILE A 80 -0.116 -2.228 -11.800 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -1.412 -5.463 -13.477 1.00 0.00 C ATOM 0 H ILE A 80 -3.147 -5.149 -11.152 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.884 -3.803 -9.766 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.032 -3.089 -12.418 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.307 -4.193 -13.256 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.005 -5.233 -11.878 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.255 -2.019 -12.803 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.598 -1.337 -11.399 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.717 -2.510 -11.156 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.834 -6.257 -13.950 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.185 -5.903 -12.847 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.878 -4.847 -14.246 1.00 0.00 H new ATOM 1334 N TYR A 81 -2.126 -1.801 -9.119 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.888 -0.830 -8.339 1.00 0.00 C ATOM 1336 C TYR A 81 -2.259 0.539 -8.429 1.00 0.00 C ATOM 1337 O TYR A 81 -1.142 0.712 -8.938 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.939 -1.293 -6.844 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.390 -2.750 -6.655 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.649 -3.793 -7.217 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.548 -3.035 -5.931 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -3.043 -5.114 -7.016 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -4.929 -4.355 -5.715 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.178 -5.394 -6.260 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.555 -6.691 -6.056 1.00 0.00 O ATOM 0 H TYR A 81 -1.116 -1.698 -9.023 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.899 -0.770 -8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.950 -1.170 -6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.617 -0.640 -6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.771 -3.575 -7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.150 -2.229 -5.538 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.468 -5.921 -7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.807 -4.574 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.518 -6.728 -5.879 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.988 1.540 -7.976 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.455 2.895 -7.868 1.00 0.00 C ATOM 1357 C LYS A 82 -3.239 3.695 -6.857 1.00 0.00 C ATOM 1358 O LYS A 82 -4.431 3.445 -6.611 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.486 3.582 -9.261 1.00 0.00 C ATOM 1360 CG LYS A 82 -2.171 5.098 -9.205 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.150 5.806 -10.563 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.699 7.230 -10.399 1.00 0.00 C ATOM 1363 NZ LYS A 82 -2.596 7.945 -11.683 1.00 0.00 N ATOM 0 H LYS A 82 -3.958 1.445 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.422 2.844 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.765 3.092 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.470 3.439 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.912 5.584 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.202 5.235 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.133 5.838 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.751 5.253 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.738 7.196 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.140 7.761 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.968 8.910 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.599 7.989 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.148 7.441 -12.406 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.589 4.661 -6.235 1.00 0.00 N ATOM 1378 CA VAL A 83 -3.230 5.482 -5.213 1.00 0.00 C ATOM 1379 C VAL A 83 -3.124 6.952 -5.550 1.00 0.00 C ATOM 1380 O VAL A 83 -2.050 7.489 -5.854 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.586 5.187 -3.800 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -1.104 5.616 -3.622 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -3.344 5.834 -2.615 1.00 0.00 C ATOM 0 H VAL A 83 -1.614 4.900 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.289 5.224 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.657 4.099 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.771 5.364 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.484 5.094 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.016 6.692 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.840 5.585 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.360 6.917 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.366 5.457 -2.587 1.00 0.00 H new ATOM 1393 N SER A 84 -4.255 7.630 -5.506 1.00 0.00 N ATOM 1394 CA SER A 84 -4.326 9.081 -5.656 1.00 0.00 C ATOM 1395 C SER A 84 -5.097 9.681 -4.503 1.00 0.00 C ATOM 1396 O SER A 84 -6.331 9.549 -4.412 1.00 0.00 O ATOM 1397 CB SER A 84 -4.933 9.468 -7.027 1.00 0.00 C ATOM 1398 OG SER A 84 -6.342 9.227 -7.101 1.00 0.00 O ATOM 0 H SER A 84 -5.164 7.189 -5.364 1.00 0.00 H new ATOM 0 HA SER A 84 -3.316 9.491 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.740 10.523 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.431 8.904 -7.813 1.00 0.00 H new ATOM 0 HG SER A 84 -6.805 10.059 -7.332 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.401 10.328 -3.589 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.019 10.793 -2.345 1.00 0.00 C ATOM 1406 C ILE A 85 -4.964 12.303 -2.272 1.00 0.00 C ATOM 1407 O ILE A 85 -3.904 12.918 -2.065 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.380 10.065 -1.092 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.839 8.618 -1.381 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.352 10.001 0.128 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -3.587 7.744 -0.136 1.00 0.00 C ATOM 0 H ILE A 85 -3.409 10.547 -3.676 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.075 10.522 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.524 10.695 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.552 8.104 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.907 8.702 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.862 9.492 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.622 11.012 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.252 9.454 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.216 6.767 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.848 8.227 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.519 7.619 0.416 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.101 12.941 -2.465 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.207 14.381 -2.685 1.00 0.00 C ATOM 1425 C TYR A 86 -6.580 15.134 -1.431 1.00 0.00 C ATOM 1426 O TYR A 86 -7.136 14.588 -0.468 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.300 14.663 -3.767 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.160 13.899 -5.090 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.604 12.614 -5.104 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -7.595 14.469 -6.289 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.495 11.907 -6.297 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -7.495 13.757 -7.482 1.00 0.00 C ATOM 1433 CZ TYR A 86 -6.943 12.479 -7.486 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.837 11.786 -8.659 1.00 0.00 O ATOM 0 H TYR A 86 -7.003 12.466 -2.475 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.225 14.726 -3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.274 14.429 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.297 15.731 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.258 12.169 -4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.011 15.466 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.064 10.917 -6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.846 14.196 -8.404 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.197 12.327 -9.392 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.271 16.422 -1.425 1.00 0.00 N ATOM 1445 CA ASP A 87 -6.668 17.323 -0.347 1.00 0.00 C ATOM 1446 C ASP A 87 -8.035 17.908 -0.610 1.00 0.00 C ATOM 1447 O ASP A 87 -8.810 17.423 -1.447 1.00 0.00 O ATOM 1448 CB ASP A 87 -5.586 18.420 -0.146 1.00 0.00 C ATOM 1449 CG ASP A 87 -5.408 19.421 -1.297 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -5.847 19.228 -2.421 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.692 20.527 -0.932 1.00 0.00 O ATOM 0 H ASP A 87 -5.737 16.875 -2.167 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.743 16.758 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.829 18.978 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.629 17.928 0.030 1.00 0.00 H new ATOM 1456 N THR A 88 -8.363 18.958 0.121 1.00 0.00 N ATOM 1457 CA THR A 88 -9.670 19.602 0.028 1.00 0.00 C ATOM 1458 C THR A 88 -9.790 20.404 -1.245 1.00 0.00 C ATOM 1459 O THR A 88 -10.876 20.551 -1.827 1.00 0.00 O ATOM 1460 CB THR A 88 -9.926 20.513 1.277 1.00 0.00 C ATOM 1461 OG1 THR A 88 -8.827 21.390 1.486 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.106 19.789 2.628 1.00 0.00 C ATOM 0 H THR A 88 -7.734 19.392 0.797 1.00 0.00 H new ATOM 0 HA THR A 88 -10.429 18.820 0.008 1.00 0.00 H new ATOM 0 HB THR A 88 -10.862 21.008 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.130 20.926 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.276 20.524 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.961 19.116 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.208 19.215 2.856 1.00 0.00 H new ATOM 1470 N LYS A 89 -8.680 20.962 -1.696 1.00 0.00 N ATOM 1471 CA LYS A 89 -8.659 21.743 -2.931 1.00 0.00 C ATOM 1472 C LYS A 89 -8.968 20.894 -4.145 1.00 0.00 C ATOM 1473 O LYS A 89 -9.183 21.438 -5.254 1.00 0.00 O ATOM 1474 CB LYS A 89 -7.273 22.431 -3.081 1.00 0.00 C ATOM 1475 CG LYS A 89 -7.118 23.698 -2.203 1.00 0.00 C ATOM 1476 CD LYS A 89 -6.420 24.879 -2.885 1.00 0.00 C ATOM 1477 CE LYS A 89 -5.058 24.422 -3.424 1.00 0.00 C ATOM 1478 NZ LYS A 89 -4.556 25.416 -4.390 1.00 0.00 N ATOM 0 H LYS A 89 -7.777 20.891 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.440 22.501 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.491 21.718 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.121 22.701 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.108 24.019 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.558 23.433 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.037 25.260 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.288 25.696 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.350 24.306 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.152 23.448 -3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.633 25.108 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.229 25.505 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.451 26.337 -3.918 1.00 0.00 H new ATOM 1492 N GLY A 90 -8.987 19.581 -4.022 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.183 18.698 -5.173 1.00 0.00 C ATOM 1494 C GLY A 90 -7.914 18.496 -5.964 1.00 0.00 C ATOM 1495 O GLY A 90 -7.948 17.988 -7.106 1.00 0.00 O ATOM 0 H GLY A 90 -8.869 19.093 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.551 17.732 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.951 19.118 -5.823 1.00 0.00 H new ATOM 1499 N LYS A 91 -6.768 18.848 -5.413 1.00 0.00 N ATOM 1500 CA LYS A 91 -5.482 18.565 -6.050 1.00 0.00 C ATOM 1501 C LYS A 91 -4.998 17.173 -5.724 1.00 0.00 C ATOM 1502 O LYS A 91 -5.348 16.586 -4.690 1.00 0.00 O ATOM 1503 CB LYS A 91 -4.439 19.621 -5.578 1.00 0.00 C ATOM 1504 CG LYS A 91 -4.515 20.961 -6.348 1.00 0.00 C ATOM 1505 CD LYS A 91 -3.679 21.021 -7.631 1.00 0.00 C ATOM 1506 CE LYS A 91 -2.231 20.627 -7.312 1.00 0.00 C ATOM 1507 NZ LYS A 91 -1.313 21.391 -8.176 1.00 0.00 N ATOM 0 H LYS A 91 -6.695 19.334 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.608 18.622 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.587 19.814 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.438 19.205 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.557 21.158 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.192 21.763 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.094 20.348 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.710 22.026 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.011 20.826 -6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.091 19.558 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.331 21.125 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.518 21.179 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.441 22.409 -8.005 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.162 16.628 -6.587 1.00 0.00 N ATOM 1522 CA ASN A 92 -3.490 15.360 -6.313 1.00 0.00 C ATOM 1523 C ASN A 92 -2.248 15.592 -5.484 1.00 0.00 C ATOM 1524 O ASN A 92 -1.114 15.572 -5.985 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.138 14.649 -7.652 1.00 0.00 C ATOM 1526 CG ASN A 92 -4.263 14.499 -8.681 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -5.242 15.230 -8.693 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -4.164 13.562 -9.586 1.00 0.00 N ATOM 0 H ASN A 92 -3.927 17.041 -7.489 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.161 14.716 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.322 15.198 -8.122 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.760 13.654 -7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.897 13.450 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.354 12.942 -9.592 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.442 15.838 -4.202 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.340 16.226 -3.318 1.00 0.00 C ATOM 1537 C VAL A 93 -0.256 15.172 -3.252 1.00 0.00 C ATOM 1538 O VAL A 93 0.896 15.440 -2.882 1.00 0.00 O ATOM 1539 CB VAL A 93 -1.904 16.540 -1.876 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.317 17.185 -1.820 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -1.979 15.304 -0.947 1.00 0.00 C ATOM 0 H VAL A 93 -3.350 15.778 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.878 17.122 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.161 17.260 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.599 17.354 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.304 18.136 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.041 16.517 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.376 15.602 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.633 14.554 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.981 14.885 -0.818 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.611 13.960 -3.633 1.00 0.00 N ATOM 1552 CA LEU A 94 0.352 12.873 -3.770 1.00 0.00 C ATOM 1553 C LEU A 94 -0.233 11.739 -4.582 1.00 0.00 C ATOM 1554 O LEU A 94 -1.419 11.396 -4.492 1.00 0.00 O ATOM 1555 CB LEU A 94 0.837 12.370 -2.381 1.00 0.00 C ATOM 1556 CG LEU A 94 1.475 10.956 -2.299 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.919 11.001 -2.820 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.455 10.374 -0.877 1.00 0.00 C ATOM 0 H LEU A 94 -1.571 13.697 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 94 1.221 13.261 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.565 13.087 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.015 12.392 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 94 0.870 10.299 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.359 10.006 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.921 11.336 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.503 11.694 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.914 9.385 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.012 11.029 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.424 10.294 -0.531 1.00 0.00 H new ATOM 1570 N GLU A 95 0.609 11.152 -5.414 1.00 0.00 N ATOM 1571 CA GLU A 95 0.192 10.130 -6.369 1.00 0.00 C ATOM 1572 C GLU A 95 1.275 9.091 -6.539 1.00 0.00 C ATOM 1573 O GLU A 95 2.480 9.396 -6.466 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.139 10.822 -7.720 1.00 0.00 C ATOM 1575 CG GLU A 95 0.833 10.553 -8.917 1.00 0.00 C ATOM 1576 CD GLU A 95 1.116 11.691 -9.900 1.00 0.00 C ATOM 1577 OE1 GLU A 95 1.120 12.925 -9.324 1.00 0.00 O ATOM 1578 OE2 GLU A 95 1.320 11.506 -11.093 1.00 0.00 O ATOM 0 H GLU A 95 1.605 11.369 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.696 9.616 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.140 10.514 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.175 11.898 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.787 10.229 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.432 9.715 -9.487 1.00 0.00 H new ATOM 1585 N LYS A 96 0.888 7.847 -6.747 1.00 0.00 N ATOM 1586 CA LYS A 96 1.850 6.749 -6.811 1.00 0.00 C ATOM 1587 C LYS A 96 1.251 5.534 -7.480 1.00 0.00 C ATOM 1588 O LYS A 96 0.030 5.326 -7.499 1.00 0.00 O ATOM 1589 CB LYS A 96 2.341 6.411 -5.376 1.00 0.00 C ATOM 1590 CG LYS A 96 3.859 6.644 -5.174 1.00 0.00 C ATOM 1591 CD LYS A 96 4.225 7.966 -4.493 1.00 0.00 C ATOM 1592 CE LYS A 96 5.482 7.763 -3.637 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.671 8.164 -4.409 1.00 0.00 N ATOM 0 H LYS A 96 -0.084 7.565 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 96 2.702 7.061 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.789 7.019 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.109 5.369 -5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.262 5.823 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.350 6.605 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.402 8.738 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.398 8.309 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.412 8.353 -2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.566 6.719 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.524 8.027 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.739 7.582 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.591 9.166 -4.675 1.00 0.00 H new ATOM 1607 N ILE A 97 2.115 4.699 -8.028 1.00 0.00 N ATOM 1608 CA ILE A 97 1.701 3.507 -8.763 1.00 0.00 C ATOM 1609 C ILE A 97 2.243 2.260 -8.107 1.00 0.00 C ATOM 1610 O ILE A 97 3.402 2.193 -7.673 1.00 0.00 O ATOM 1611 CB ILE A 97 2.109 3.601 -10.289 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.172 5.055 -10.858 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.180 2.758 -11.217 1.00 0.00 C ATOM 1614 CD1 ILE A 97 2.930 5.225 -12.191 1.00 0.00 C ATOM 0 H ILE A 97 3.126 4.824 -7.979 1.00 0.00 H new ATOM 0 HA ILE A 97 0.613 3.447 -8.731 1.00 0.00 H new ATOM 0 HB ILE A 97 3.119 3.190 -10.296 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.152 5.416 -10.994 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.640 5.697 -10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.508 2.861 -12.251 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.228 1.709 -10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.154 3.114 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.910 6.273 -12.490 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.964 4.904 -12.065 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.453 4.619 -12.961 1.00 0.00 H new ATOM 1626 N PHE A 98 1.401 1.250 -7.996 1.00 0.00 N ATOM 1627 CA PHE A 98 1.748 0.033 -7.266 1.00 0.00 C ATOM 1628 C PHE A 98 1.540 -1.196 -8.118 1.00 0.00 C ATOM 1629 O PHE A 98 0.897 -1.156 -9.179 1.00 0.00 O ATOM 1630 CB PHE A 98 0.861 -0.077 -5.987 1.00 0.00 C ATOM 1631 CG PHE A 98 0.840 1.162 -5.076 1.00 0.00 C ATOM 1632 CD1 PHE A 98 0.383 2.381 -5.591 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.331 1.107 -3.769 1.00 0.00 C ATOM 1634 CE1 PHE A 98 0.417 3.529 -4.808 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.349 2.255 -2.981 1.00 0.00 C ATOM 1636 CZ PHE A 98 0.889 3.465 -3.499 1.00 0.00 C ATOM 0 H PHE A 98 0.466 1.243 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 98 2.802 0.090 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.162 -0.295 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.206 -0.929 -5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.003 2.430 -6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.697 0.173 -3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.078 4.470 -5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.720 2.208 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.899 4.353 -2.885 1.00 0.00 H new ATOM 1646 N ASP A 99 2.065 -2.318 -7.663 1.00 0.00 N ATOM 1647 CA ASP A 99 2.034 -3.558 -8.432 1.00 0.00 C ATOM 1648 C ASP A 99 2.202 -4.757 -7.526 1.00 0.00 C ATOM 1649 O ASP A 99 3.308 -5.097 -7.084 1.00 0.00 O ATOM 1650 CB ASP A 99 3.112 -3.543 -9.549 1.00 0.00 C ATOM 1651 CG ASP A 99 2.779 -4.296 -10.846 1.00 0.00 C ATOM 1652 OD1 ASP A 99 2.716 -5.516 -10.908 1.00 0.00 O ATOM 1653 OD2 ASP A 99 2.590 -3.463 -11.913 1.00 0.00 O ATOM 0 H ASP A 99 2.524 -2.401 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 99 1.058 -3.636 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.322 -2.504 -9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.031 -3.963 -9.139 1.00 0.00 H new ATOM 1658 N LEU A 100 1.099 -5.431 -7.259 1.00 0.00 N ATOM 1659 CA LEU A 100 1.120 -6.662 -6.476 1.00 0.00 C ATOM 1660 C LEU A 100 1.689 -7.810 -7.277 1.00 0.00 C ATOM 1661 O LEU A 100 1.363 -8.019 -8.454 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.306 -7.003 -5.958 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.440 -8.063 -4.831 1.00 0.00 C ATOM 1664 CD1 LEU A 100 0.443 -7.747 -3.613 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -1.906 -8.181 -4.393 1.00 0.00 C ATOM 0 H LEU A 100 0.170 -5.148 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 100 1.771 -6.503 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.762 -6.079 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.897 -7.343 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.095 -9.012 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.310 -8.520 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.488 -7.716 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.158 -6.780 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.991 -8.927 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.253 -7.217 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.517 -8.483 -5.244 1.00 0.00 H new ATOM 1677 N LYS A 101 2.555 -8.579 -6.640 1.00 0.00 N ATOM 1678 CA LYS A 101 3.185 -9.732 -7.274 1.00 0.00 C ATOM 1679 C LYS A 101 2.995 -10.987 -6.452 1.00 0.00 C ATOM 1680 O LYS A 101 2.536 -10.958 -5.302 1.00 0.00 O ATOM 1681 CB LYS A 101 4.702 -9.450 -7.476 1.00 0.00 C ATOM 1682 CG LYS A 101 5.008 -8.340 -8.511 1.00 0.00 C ATOM 1683 CD LYS A 101 6.467 -7.871 -8.533 1.00 0.00 C ATOM 1684 CE LYS A 101 6.736 -7.098 -9.830 1.00 0.00 C ATOM 1685 NZ LYS A 101 7.473 -7.962 -10.770 1.00 0.00 N ATOM 0 H LYS A 101 2.842 -8.426 -5.673 1.00 0.00 H new ATOM 0 HA LYS A 101 2.709 -9.894 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.139 -9.168 -6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.193 -10.371 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.742 -8.704 -9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.368 -7.482 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.669 -7.236 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.137 -8.728 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.795 -6.776 -10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.313 -6.198 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.657 -7.440 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.377 -8.249 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.906 -8.808 -10.981 1.00 0.00 H new ATOM 1699 N ILE A 102 3.331 -12.116 -7.048 1.00 0.00 N ATOM 1700 CA ILE A 102 3.377 -13.390 -6.336 1.00 0.00 C ATOM 1701 C ILE A 102 4.755 -14.004 -6.455 1.00 0.00 C ATOM 1702 O ILE A 102 5.421 -13.933 -7.497 1.00 0.00 O ATOM 1703 CB ILE A 102 2.250 -14.396 -6.805 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.817 -13.776 -6.880 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.178 -15.676 -5.914 1.00 0.00 C ATOM 1706 CD1 ILE A 102 0.088 -13.605 -5.530 1.00 0.00 C ATOM 0 H ILE A 102 3.580 -12.181 -8.035 1.00 0.00 H new ATOM 0 HA ILE A 102 3.174 -13.184 -5.285 1.00 0.00 H new ATOM 0 HB ILE A 102 2.559 -14.659 -7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.889 -12.800 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.203 -14.404 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.388 -16.331 -6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.132 -16.201 -5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.964 -15.391 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.895 -13.167 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.026 -14.578 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.670 -12.949 -4.883 1.00 0.00 H new ATOM 1718 N GLN A 103 5.183 -14.651 -5.387 1.00 0.00 N ATOM 1719 CA GLN A 103 6.550 -15.148 -5.269 1.00 0.00 C ATOM 1720 C GLN A 103 6.592 -16.653 -5.127 1.00 0.00 C ATOM 1721 O GLN A 103 5.574 -17.334 -4.941 1.00 0.00 O ATOM 1722 CB GLN A 103 7.219 -14.452 -4.060 1.00 0.00 C ATOM 1723 CG GLN A 103 8.232 -15.305 -3.228 1.00 0.00 C ATOM 1724 CD GLN A 103 7.894 -15.668 -1.777 1.00 0.00 C ATOM 1725 OE1 GLN A 103 8.463 -15.126 -0.842 1.00 0.00 O ATOM 1726 NE2 GLN A 103 6.987 -16.576 -1.524 1.00 0.00 N ATOM 0 H GLN A 103 4.597 -14.849 -4.576 1.00 0.00 H new ATOM 0 HA GLN A 103 7.097 -14.913 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.739 -13.566 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.433 -14.107 -3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.397 -16.237 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.181 -14.769 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.501 -17.039 -2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.766 -16.821 -0.559 1.00 0.00 H new