USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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: B 12 HIS : no HE2:sc= -5.06! C(o=-3.9!,f=-6.4!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= 0.00628 X(o=-3.9,f=-4.3) USER MOD Set 1.3: B 40 CYS SG : rot -143:sc= 0.447 USER MOD Set 1.4: B 43 CYS SG : rot 138:sc= 0.688 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -5.18! C(o=-4.1!,f=-6.7!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= 0.00721 X(o=-4.1,f=-4.3) USER MOD Set 2.3: A 40 CYS SG : rot -144:sc= 0.444 USER MOD Set 2.4: A 43 CYS SG : rot 139:sc= 0.675 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 91:sc= 1.16 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.283 (180deg=-0.977!) USER MOD Single : A 30 ASN : amide:sc=-0.000598 K(o=-0.0006,f=-1.5!) USER MOD Single : A 35 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 38 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.3) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.8!) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 86:sc= 1.13 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ -164:sc= -0.376 (180deg=-1.04) USER MOD Single : B 30 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-1.5!) USER MOD Single : B 35 GLN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD Single : B 38 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 44 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -9.312 -7.708 -10.548 1.00 0.00 N ATOM 99 CA GLU A 6 -9.946 -7.306 -11.804 1.00 0.00 C ATOM 100 C GLU A 6 -11.465 -7.492 -11.732 1.00 0.00 C ATOM 101 O GLU A 6 -12.222 -6.559 -11.994 1.00 0.00 O ATOM 102 CB GLU A 6 -9.368 -8.107 -12.973 1.00 0.00 C ATOM 103 CG GLU A 6 -8.234 -7.398 -13.693 1.00 0.00 C ATOM 104 CD GLU A 6 -7.615 -8.248 -14.785 1.00 0.00 C ATOM 105 OE1 GLU A 6 -7.809 -9.481 -14.761 1.00 0.00 O ATOM 106 OE2 GLU A 6 -6.932 -7.680 -15.664 1.00 0.00 O ATOM 0 HA GLU A 6 -9.738 -6.248 -11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.008 -9.067 -12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.164 -8.319 -13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.608 -6.471 -14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.465 -7.124 -12.971 1.00 0.00 H new ATOM 113 N PRO A 7 -11.938 -8.704 -11.360 1.00 0.00 N ATOM 114 CA PRO A 7 -13.375 -8.990 -11.243 1.00 0.00 C ATOM 115 C PRO A 7 -14.130 -7.894 -10.495 1.00 0.00 C ATOM 116 O PRO A 7 -15.214 -7.480 -10.906 1.00 0.00 O ATOM 117 CB PRO A 7 -13.403 -10.291 -10.442 1.00 0.00 C ATOM 118 CG PRO A 7 -12.129 -10.975 -10.796 1.00 0.00 C ATOM 119 CD PRO A 7 -11.116 -9.883 -11.015 1.00 0.00 C ATOM 0 HA PRO A 7 -13.860 -9.054 -12.217 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.465 -10.096 -9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.267 -10.901 -10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.812 -11.646 -9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.249 -11.581 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.519 -9.706 -10.121 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.422 -10.136 -11.817 1.00 0.00 H new ATOM 127 N ALA A 8 -13.542 -7.426 -9.398 1.00 0.00 N ATOM 128 CA ALA A 8 -14.150 -6.375 -8.594 1.00 0.00 C ATOM 129 C ALA A 8 -14.322 -5.102 -9.412 1.00 0.00 C ATOM 130 O ALA A 8 -15.336 -4.411 -9.301 1.00 0.00 O ATOM 131 CB ALA A 8 -13.308 -6.103 -7.354 1.00 0.00 C ATOM 0 H ALA A 8 -12.644 -7.759 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.137 -6.712 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.775 -5.315 -6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.237 -7.012 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.309 -5.787 -7.655 1.00 0.00 H new ATOM 137 N GLN A 9 -13.324 -4.801 -10.234 1.00 0.00 N ATOM 138 CA GLN A 9 -13.362 -3.613 -11.078 1.00 0.00 C ATOM 139 C GLN A 9 -14.536 -3.682 -12.050 1.00 0.00 C ATOM 140 O GLN A 9 -15.215 -2.683 -12.289 1.00 0.00 O ATOM 141 CB GLN A 9 -12.047 -3.467 -11.846 1.00 0.00 C ATOM 142 CG GLN A 9 -10.856 -3.154 -10.956 1.00 0.00 C ATOM 143 CD GLN A 9 -9.593 -2.874 -11.746 1.00 0.00 C ATOM 144 OE1 GLN A 9 -9.580 -2.022 -12.635 1.00 0.00 O ATOM 145 NE2 GLN A 9 -8.523 -3.592 -11.427 1.00 0.00 N ATOM 0 H GLN A 9 -12.479 -5.363 -10.334 1.00 0.00 H new ATOM 0 HA GLN A 9 -13.495 -2.740 -10.439 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.850 -4.390 -12.392 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.154 -2.675 -12.587 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.090 -2.290 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.680 -3.993 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.579 -4.288 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.645 -3.448 -11.926 1.00 0.00 H new ATOM 154 N GLU A 10 -14.774 -4.869 -12.603 1.00 0.00 N ATOM 155 CA GLU A 10 -15.872 -5.067 -13.542 1.00 0.00 C ATOM 156 C GLU A 10 -17.213 -4.834 -12.851 1.00 0.00 C ATOM 157 O GLU A 10 -18.156 -4.327 -13.456 1.00 0.00 O ATOM 158 CB GLU A 10 -15.825 -6.477 -14.131 1.00 0.00 C ATOM 159 CG GLU A 10 -16.756 -6.673 -15.318 1.00 0.00 C ATOM 160 CD GLU A 10 -16.821 -8.116 -15.780 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.867 -8.872 -15.498 1.00 0.00 O ATOM 162 OE2 GLU A 10 -17.824 -8.491 -16.421 1.00 0.00 O ATOM 0 H GLU A 10 -14.222 -5.706 -12.417 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.764 -4.345 -14.352 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.804 -6.698 -14.441 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.085 -7.195 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.757 -6.337 -15.048 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.421 -6.046 -16.144 1.00 0.00 H new ATOM 169 N GLU A 11 -17.284 -5.208 -11.576 1.00 0.00 N ATOM 170 CA GLU A 11 -18.504 -5.038 -10.795 1.00 0.00 C ATOM 171 C GLU A 11 -18.781 -3.561 -10.550 1.00 0.00 C ATOM 172 O GLU A 11 -19.926 -3.117 -10.633 1.00 0.00 O ATOM 173 CB GLU A 11 -18.391 -5.780 -9.463 1.00 0.00 C ATOM 174 CG GLU A 11 -19.654 -5.715 -8.621 1.00 0.00 C ATOM 175 CD GLU A 11 -20.881 -6.191 -9.375 1.00 0.00 C ATOM 176 OE1 GLU A 11 -20.736 -7.076 -10.244 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.984 -5.679 -9.096 1.00 0.00 O ATOM 0 H GLU A 11 -16.511 -5.631 -11.063 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.335 -5.458 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.148 -6.824 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.562 -5.361 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.522 -6.324 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.812 -4.689 -8.287 1.00 0.00 H new ATOM 184 N HIS A 12 -17.731 -2.796 -10.260 1.00 0.00 N ATOM 185 CA HIS A 12 -17.897 -1.371 -10.024 1.00 0.00 C ATOM 186 C HIS A 12 -18.291 -0.668 -11.322 1.00 0.00 C ATOM 187 O HIS A 12 -19.093 0.259 -11.316 1.00 0.00 O ATOM 188 CB HIS A 12 -16.616 -0.734 -9.451 1.00 0.00 C ATOM 189 CG HIS A 12 -16.774 0.736 -9.218 1.00 0.00 C ATOM 190 ND1 HIS A 12 -16.794 1.336 -7.976 1.00 0.00 N ATOM 191 CD2 HIS A 12 -17.043 1.714 -10.113 1.00 0.00 C ATOM 192 CE1 HIS A 12 -17.090 2.633 -8.156 1.00 0.00 C ATOM 193 NE2 HIS A 12 -17.250 2.906 -9.437 1.00 0.00 N ATOM 0 H HIS A 12 -16.772 -3.135 -10.184 1.00 0.00 H new ATOM 0 HA HIS A 12 -18.690 -1.248 -9.286 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -16.357 -1.224 -8.512 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.788 -0.905 -10.139 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -16.616 0.877 -7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -17.089 1.586 -11.184 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.184 3.356 -7.359 1.00 0.00 H new ATOM 201 N GLU A 13 -17.711 -1.101 -12.427 1.00 0.00 N ATOM 202 CA GLU A 13 -18.001 -0.502 -13.722 1.00 0.00 C ATOM 203 C GLU A 13 -19.446 -0.751 -14.163 1.00 0.00 C ATOM 204 O GLU A 13 -19.910 -0.155 -15.136 1.00 0.00 O ATOM 205 CB GLU A 13 -17.038 -1.044 -14.777 1.00 0.00 C ATOM 206 CG GLU A 13 -15.644 -0.439 -14.693 1.00 0.00 C ATOM 207 CD GLU A 13 -14.721 -0.941 -15.786 1.00 0.00 C ATOM 208 OE1 GLU A 13 -15.231 -1.455 -16.805 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.489 -0.822 -15.623 1.00 0.00 O ATOM 0 H GLU A 13 -17.036 -1.865 -12.456 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.869 0.575 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.963 -2.126 -14.668 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.450 -0.851 -15.767 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.719 0.647 -14.757 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.209 -0.672 -13.721 1.00 0.00 H new ATOM 216 N LYS A 14 -20.157 -1.640 -13.463 1.00 0.00 N ATOM 217 CA LYS A 14 -21.536 -1.956 -13.822 1.00 0.00 C ATOM 218 C LYS A 14 -22.554 -1.329 -12.862 1.00 0.00 C ATOM 219 O LYS A 14 -23.724 -1.182 -13.212 1.00 0.00 O ATOM 220 CB LYS A 14 -21.720 -3.475 -13.862 1.00 0.00 C ATOM 221 CG LYS A 14 -22.591 -3.956 -15.011 1.00 0.00 C ATOM 222 CD LYS A 14 -23.020 -5.401 -14.811 1.00 0.00 C ATOM 223 CE LYS A 14 -22.068 -6.374 -15.499 1.00 0.00 C ATOM 224 NZ LYS A 14 -22.734 -7.128 -16.603 1.00 0.00 N ATOM 0 H LYS A 14 -19.802 -2.147 -12.653 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.723 -1.529 -14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.741 -3.949 -13.937 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -22.162 -3.803 -12.921 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.473 -3.320 -15.093 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.043 -3.863 -15.949 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.060 -5.624 -13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.027 -5.539 -15.204 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -21.216 -5.825 -15.899 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.677 -7.078 -14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -22.050 -7.777 -17.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.532 -7.674 -16.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -23.085 -6.459 -17.318 1.00 0.00 H new ATOM 238 N TYR A 15 -22.124 -0.969 -11.649 1.00 0.00 N ATOM 239 CA TYR A 15 -23.046 -0.378 -10.672 1.00 0.00 C ATOM 240 C TYR A 15 -22.365 0.634 -9.742 1.00 0.00 C ATOM 241 O TYR A 15 -22.918 0.982 -8.698 1.00 0.00 O ATOM 242 CB TYR A 15 -23.676 -1.486 -9.827 1.00 0.00 C ATOM 243 CG TYR A 15 -24.245 -2.627 -10.638 1.00 0.00 C ATOM 244 CD1 TYR A 15 -25.526 -2.552 -11.174 1.00 0.00 C ATOM 245 CD2 TYR A 15 -23.507 -3.784 -10.863 1.00 0.00 C ATOM 246 CE1 TYR A 15 -26.052 -3.592 -11.914 1.00 0.00 C ATOM 247 CE2 TYR A 15 -24.030 -4.829 -11.601 1.00 0.00 C ATOM 248 CZ TYR A 15 -25.300 -4.728 -12.124 1.00 0.00 C ATOM 249 OH TYR A 15 -25.823 -5.766 -12.858 1.00 0.00 O ATOM 0 H TYR A 15 -21.163 -1.073 -11.323 1.00 0.00 H new ATOM 0 HA TYR A 15 -23.806 0.160 -11.239 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.924 -1.879 -9.143 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -24.470 -1.056 -9.216 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -26.120 -1.665 -11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -22.510 -3.867 -10.455 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -27.047 -3.516 -12.326 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -23.445 -5.721 -11.767 1.00 0.00 H new ATOM 0 HH TYR A 15 -25.166 -6.491 -12.914 1.00 0.00 H new ATOM 259 N HIS A 16 -21.167 1.096 -10.110 1.00 0.00 N ATOM 260 CA HIS A 16 -20.401 2.057 -9.299 1.00 0.00 C ATOM 261 C HIS A 16 -20.460 1.726 -7.805 1.00 0.00 C ATOM 262 O HIS A 16 -20.681 2.600 -6.967 1.00 0.00 O ATOM 263 CB HIS A 16 -20.874 3.494 -9.544 1.00 0.00 C ATOM 264 CG HIS A 16 -20.622 3.984 -10.938 1.00 0.00 C ATOM 265 ND1 HIS A 16 -19.393 4.482 -11.341 1.00 0.00 N ATOM 266 CD2 HIS A 16 -21.477 4.037 -11.989 1.00 0.00 C ATOM 267 CE1 HIS A 16 -19.538 4.818 -12.610 1.00 0.00 C ATOM 268 NE2 HIS A 16 -20.781 4.569 -13.045 1.00 0.00 N ATOM 0 H HIS A 16 -20.699 0.819 -10.973 1.00 0.00 H new ATOM 0 HA HIS A 16 -19.362 1.975 -9.616 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.942 3.556 -9.335 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -20.372 4.157 -8.839 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -18.550 4.571 -10.774 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.510 3.721 -11.994 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.754 5.240 -13.220 1.00 0.00 H new ATOM 276 N SER A 17 -20.265 0.449 -7.486 1.00 0.00 N ATOM 277 CA SER A 17 -20.301 -0.015 -6.103 1.00 0.00 C ATOM 278 C SER A 17 -19.159 0.585 -5.286 1.00 0.00 C ATOM 279 O SER A 17 -18.039 0.731 -5.779 1.00 0.00 O ATOM 280 CB SER A 17 -20.224 -1.540 -6.059 1.00 0.00 C ATOM 281 OG SER A 17 -21.486 -2.123 -6.332 1.00 0.00 O ATOM 0 H SER A 17 -20.080 -0.285 -8.170 1.00 0.00 H new ATOM 0 HA SER A 17 -21.243 0.314 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.493 -1.891 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.876 -1.861 -5.077 1.00 0.00 H new ATOM 0 HG SER A 17 -21.409 -3.099 -6.299 1.00 0.00 H new ATOM 287 N ASN A 18 -19.451 0.927 -4.034 1.00 0.00 N ATOM 288 CA ASN A 18 -18.454 1.508 -3.142 1.00 0.00 C ATOM 289 C ASN A 18 -17.498 0.438 -2.617 1.00 0.00 C ATOM 290 O ASN A 18 -17.696 -0.753 -2.851 1.00 0.00 O ATOM 291 CB ASN A 18 -19.137 2.215 -1.971 1.00 0.00 C ATOM 292 CG ASN A 18 -19.877 3.467 -2.400 1.00 0.00 C ATOM 293 OD1 ASN A 18 -20.116 3.683 -3.588 1.00 0.00 O ATOM 294 ND2 ASN A 18 -20.243 4.302 -1.434 1.00 0.00 N ATOM 0 H ASN A 18 -20.373 0.811 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.877 2.236 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.837 1.528 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.389 2.477 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.742 5.161 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.025 4.084 -0.462 1.00 0.00 H new ATOM 301 N VAL A 19 -16.464 0.878 -1.906 1.00 0.00 N ATOM 302 CA VAL A 19 -15.467 -0.031 -1.343 1.00 0.00 C ATOM 303 C VAL A 19 -16.112 -1.091 -0.453 1.00 0.00 C ATOM 304 O VAL A 19 -15.867 -2.286 -0.621 1.00 0.00 O ATOM 305 CB VAL A 19 -14.417 0.744 -0.519 1.00 0.00 C ATOM 306 CG1 VAL A 19 -13.314 -0.181 -0.021 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.834 1.880 -1.342 1.00 0.00 C ATOM 0 H VAL A 19 -16.293 1.863 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.980 -0.525 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.915 1.166 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.590 0.394 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.747 -0.957 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.815 -0.643 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.095 2.418 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.357 1.475 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.631 2.563 -1.635 1.00 0.00 H new ATOM 317 N LYS A 20 -16.928 -0.646 0.499 1.00 0.00 N ATOM 318 CA LYS A 20 -17.598 -1.557 1.427 1.00 0.00 C ATOM 319 C LYS A 20 -18.337 -2.671 0.686 1.00 0.00 C ATOM 320 O LYS A 20 -18.485 -3.779 1.202 1.00 0.00 O ATOM 321 CB LYS A 20 -18.575 -0.787 2.319 1.00 0.00 C ATOM 322 CG LYS A 20 -19.063 -1.588 3.516 1.00 0.00 C ATOM 323 CD LYS A 20 -20.349 -2.339 3.199 1.00 0.00 C ATOM 324 CE LYS A 20 -21.572 -1.628 3.760 1.00 0.00 C ATOM 325 NZ LYS A 20 -22.221 -2.417 4.844 1.00 0.00 N ATOM 0 H LYS A 20 -17.142 0.340 0.649 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.829 -2.017 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.091 0.123 2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.434 -0.480 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.292 -2.296 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.230 -0.918 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.452 -2.443 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.293 -3.346 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.280 -0.652 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -22.290 -1.452 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -23.050 -1.900 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.523 -3.339 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.544 -2.563 5.620 1.00 0.00 H new ATOM 339 N GLU A 21 -18.793 -2.371 -0.524 1.00 0.00 N ATOM 340 CA GLU A 21 -19.507 -3.354 -1.330 1.00 0.00 C ATOM 341 C GLU A 21 -18.527 -4.307 -2.004 1.00 0.00 C ATOM 342 O GLU A 21 -18.715 -5.523 -1.986 1.00 0.00 O ATOM 343 CB GLU A 21 -20.361 -2.657 -2.386 1.00 0.00 C ATOM 344 CG GLU A 21 -21.171 -1.493 -1.840 1.00 0.00 C ATOM 345 CD GLU A 21 -22.668 -1.703 -1.968 1.00 0.00 C ATOM 346 OE1 GLU A 21 -23.148 -1.877 -3.107 1.00 0.00 O ATOM 347 OE2 GLU A 21 -23.357 -1.698 -0.926 1.00 0.00 O ATOM 0 H GLU A 21 -18.682 -1.459 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.158 -3.928 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -19.713 -2.295 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.040 -3.385 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.919 -1.342 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.891 -0.582 -2.369 1.00 0.00 H new ATOM 354 N LEU A 22 -17.475 -3.745 -2.595 1.00 0.00 N ATOM 355 CA LEU A 22 -16.460 -4.544 -3.268 1.00 0.00 C ATOM 356 C LEU A 22 -15.707 -5.409 -2.263 1.00 0.00 C ATOM 357 O LEU A 22 -15.280 -6.519 -2.578 1.00 0.00 O ATOM 358 CB LEU A 22 -15.471 -3.642 -4.013 1.00 0.00 C ATOM 359 CG LEU A 22 -15.944 -3.108 -5.372 1.00 0.00 C ATOM 360 CD1 LEU A 22 -16.503 -4.228 -6.237 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.977 -2.008 -5.183 1.00 0.00 C ATOM 0 H LEU A 22 -17.305 -2.740 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.962 -5.191 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.232 -2.792 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.546 -4.198 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.081 -2.687 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.830 -3.820 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.729 -4.977 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.350 -4.690 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -17.301 -1.642 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.835 -2.404 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -16.536 -1.189 -4.615 1.00 0.00 H new ATOM 373 N SER A 23 -15.546 -4.888 -1.049 1.00 0.00 N ATOM 374 CA SER A 23 -14.842 -5.608 0.005 1.00 0.00 C ATOM 375 C SER A 23 -15.719 -6.709 0.595 1.00 0.00 C ATOM 376 O SER A 23 -15.232 -7.783 0.949 1.00 0.00 O ATOM 377 CB SER A 23 -14.409 -4.638 1.107 1.00 0.00 C ATOM 378 OG SER A 23 -14.088 -5.328 2.303 1.00 0.00 O ATOM 0 H SER A 23 -15.894 -3.970 -0.772 1.00 0.00 H new ATOM 0 HA SER A 23 -13.958 -6.072 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.544 -4.066 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.209 -3.923 1.300 1.00 0.00 H new ATOM 0 HG SER A 23 -13.133 -5.547 2.308 1.00 0.00 H new ATOM 384 N HIS A 24 -17.014 -6.434 0.702 1.00 0.00 N ATOM 385 CA HIS A 24 -17.961 -7.396 1.253 1.00 0.00 C ATOM 386 C HIS A 24 -18.353 -8.442 0.211 1.00 0.00 C ATOM 387 O HIS A 24 -18.604 -9.600 0.546 1.00 0.00 O ATOM 388 CB HIS A 24 -19.212 -6.672 1.766 1.00 0.00 C ATOM 389 CG HIS A 24 -20.253 -7.589 2.334 1.00 0.00 C ATOM 390 ND1 HIS A 24 -20.133 -8.116 3.597 1.00 0.00 N ATOM 391 CD2 HIS A 24 -21.400 -8.041 1.773 1.00 0.00 C ATOM 392 CE1 HIS A 24 -21.202 -8.873 3.775 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.998 -8.859 2.697 1.00 0.00 N ATOM 0 H HIS A 24 -17.433 -5.550 0.413 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.477 -7.908 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.917 -5.955 2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.651 -6.102 0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.772 -7.803 0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -21.408 -9.432 4.676 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.879 -9.360 2.585 1.00 0.00 H new ATOM 401 N LYS A 25 -18.415 -8.026 -1.048 1.00 0.00 N ATOM 402 CA LYS A 25 -18.791 -8.928 -2.132 1.00 0.00 C ATOM 403 C LYS A 25 -17.637 -9.846 -2.523 1.00 0.00 C ATOM 404 O LYS A 25 -17.766 -11.070 -2.486 1.00 0.00 O ATOM 405 CB LYS A 25 -19.253 -8.127 -3.351 1.00 0.00 C ATOM 406 CG LYS A 25 -20.032 -8.958 -4.359 1.00 0.00 C ATOM 407 CD LYS A 25 -20.101 -8.273 -5.716 1.00 0.00 C ATOM 408 CE LYS A 25 -20.594 -9.223 -6.793 1.00 0.00 C ATOM 409 NZ LYS A 25 -19.908 -10.543 -6.721 1.00 0.00 N ATOM 0 H LYS A 25 -18.210 -7.072 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.612 -9.550 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.876 -7.297 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.382 -7.694 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.561 -9.935 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.042 -9.131 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.766 -7.411 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.114 -7.896 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.669 -9.366 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.426 -8.779 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.958 -11.011 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.912 -10.403 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.375 -11.138 -6.007 1.00 0.00 H new ATOM 423 N PHE A 26 -16.512 -9.252 -2.908 1.00 0.00 N ATOM 424 CA PHE A 26 -15.344 -10.027 -3.318 1.00 0.00 C ATOM 425 C PHE A 26 -14.415 -10.346 -2.142 1.00 0.00 C ATOM 426 O PHE A 26 -13.318 -10.871 -2.343 1.00 0.00 O ATOM 427 CB PHE A 26 -14.578 -9.278 -4.406 1.00 0.00 C ATOM 428 CG PHE A 26 -15.334 -9.180 -5.698 1.00 0.00 C ATOM 429 CD1 PHE A 26 -16.194 -8.120 -5.935 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.189 -10.152 -6.674 1.00 0.00 C ATOM 431 CE1 PHE A 26 -16.896 -8.030 -7.123 1.00 0.00 C ATOM 432 CE2 PHE A 26 -15.889 -10.069 -7.865 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.742 -9.005 -8.090 1.00 0.00 C ATOM 0 H PHE A 26 -16.383 -8.241 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.704 -10.978 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.345 -8.274 -4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.628 -9.782 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.318 -7.355 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.522 -10.984 -6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.564 -7.199 -7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.769 -10.834 -8.617 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.287 -8.936 -9.020 1.00 0.00 H new ATOM 443 N GLY A 27 -14.850 -10.040 -0.920 1.00 0.00 N ATOM 444 CA GLY A 27 -14.034 -10.320 0.253 1.00 0.00 C ATOM 445 C GLY A 27 -12.630 -9.749 0.164 1.00 0.00 C ATOM 446 O GLY A 27 -11.655 -10.434 0.474 1.00 0.00 O ATOM 0 H GLY A 27 -15.751 -9.604 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.528 -9.913 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.971 -11.399 0.393 1.00 0.00 H new ATOM 450 N ILE A 28 -12.523 -8.489 -0.255 1.00 0.00 N ATOM 451 CA ILE A 28 -11.225 -7.833 -0.375 1.00 0.00 C ATOM 452 C ILE A 28 -11.090 -6.702 0.646 1.00 0.00 C ATOM 453 O ILE A 28 -12.086 -6.098 1.040 1.00 0.00 O ATOM 454 CB ILE A 28 -11.006 -7.257 -1.787 1.00 0.00 C ATOM 455 CG1 ILE A 28 -12.185 -6.371 -2.191 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.812 -8.380 -2.796 1.00 0.00 C ATOM 457 CD1 ILE A 28 -12.013 -5.714 -3.542 1.00 0.00 C ATOM 0 H ILE A 28 -13.317 -7.905 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.469 -8.594 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.104 -6.646 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.094 -6.973 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.324 -5.598 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.659 -7.955 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.941 -8.974 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.697 -9.016 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.887 -5.101 -3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.123 -5.085 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.905 -6.481 -4.309 1.00 0.00 H new ATOM 469 N PRO A 29 -9.855 -6.393 1.091 1.00 0.00 N ATOM 470 CA PRO A 29 -9.621 -5.323 2.067 1.00 0.00 C ATOM 471 C PRO A 29 -9.968 -3.948 1.509 1.00 0.00 C ATOM 472 O PRO A 29 -10.043 -3.762 0.294 1.00 0.00 O ATOM 473 CB PRO A 29 -8.121 -5.419 2.361 1.00 0.00 C ATOM 474 CG PRO A 29 -7.541 -6.094 1.167 1.00 0.00 C ATOM 475 CD PRO A 29 -8.596 -7.049 0.684 1.00 0.00 C ATOM 0 HA PRO A 29 -10.246 -5.439 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.683 -4.432 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.932 -5.991 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.286 -5.369 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.623 -6.623 1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.547 -7.192 -0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.488 -8.033 1.141 1.00 0.00 H new ATOM 483 N ASN A 30 -10.180 -2.985 2.401 1.00 0.00 N ATOM 484 CA ASN A 30 -10.519 -1.625 1.996 1.00 0.00 C ATOM 485 C ASN A 30 -9.436 -1.038 1.094 1.00 0.00 C ATOM 486 O ASN A 30 -9.720 -0.223 0.216 1.00 0.00 O ATOM 487 CB ASN A 30 -10.711 -0.735 3.226 1.00 0.00 C ATOM 488 CG ASN A 30 -11.927 -1.129 4.042 1.00 0.00 C ATOM 489 OD1 ASN A 30 -11.995 -2.232 4.582 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.895 -0.225 4.134 1.00 0.00 N ATOM 0 H ASN A 30 -10.123 -3.122 3.410 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.453 -1.664 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.822 -0.791 3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.811 0.303 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.738 -0.433 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.796 0.678 3.669 1.00 0.00 H new ATOM 497 N LEU A 31 -8.196 -1.460 1.316 1.00 0.00 N ATOM 498 CA LEU A 31 -7.073 -0.978 0.521 1.00 0.00 C ATOM 499 C LEU A 31 -7.260 -1.330 -0.950 1.00 0.00 C ATOM 500 O LEU A 31 -7.363 -0.448 -1.801 1.00 0.00 O ATOM 501 CB LEU A 31 -5.763 -1.574 1.041 1.00 0.00 C ATOM 502 CG LEU A 31 -4.493 -1.039 0.375 1.00 0.00 C ATOM 503 CD1 LEU A 31 -4.460 0.482 0.432 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.250 -1.636 1.030 1.00 0.00 C ATOM 0 H LEU A 31 -7.943 -2.134 2.039 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.031 0.107 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.698 -1.387 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.796 -2.655 0.907 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.500 -1.339 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.550 0.844 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.329 0.885 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.478 0.808 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.358 -1.243 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.233 -1.370 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.271 -2.721 0.929 1.00 0.00 H new ATOM 516 N VAL A 32 -7.308 -2.627 -1.242 1.00 0.00 N ATOM 517 CA VAL A 32 -7.487 -3.094 -2.615 1.00 0.00 C ATOM 518 C VAL A 32 -8.779 -2.545 -3.211 1.00 0.00 C ATOM 519 O VAL A 32 -8.811 -2.123 -4.367 1.00 0.00 O ATOM 520 CB VAL A 32 -7.509 -4.636 -2.694 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.540 -5.099 -4.143 1.00 0.00 C ATOM 522 CG2 VAL A 32 -6.312 -5.228 -1.962 1.00 0.00 C ATOM 0 H VAL A 32 -7.226 -3.371 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.636 -2.727 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.416 -4.991 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.555 -6.188 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.433 -4.708 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.654 -4.732 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.346 -6.315 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.391 -4.865 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.341 -4.928 -0.914 1.00 0.00 H new ATOM 532 N ALA A 33 -9.841 -2.548 -2.412 1.00 0.00 N ATOM 533 CA ALA A 33 -11.131 -2.044 -2.861 1.00 0.00 C ATOM 534 C ALA A 33 -11.059 -0.554 -3.177 1.00 0.00 C ATOM 535 O ALA A 33 -11.662 -0.087 -4.141 1.00 0.00 O ATOM 536 CB ALA A 33 -12.197 -2.309 -1.811 1.00 0.00 C ATOM 0 H ALA A 33 -9.833 -2.893 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.399 -2.572 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.156 -1.926 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.276 -3.382 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.925 -1.809 -0.882 1.00 0.00 H new ATOM 542 N ARG A 34 -10.311 0.189 -2.361 1.00 0.00 N ATOM 543 CA ARG A 34 -10.159 1.626 -2.564 1.00 0.00 C ATOM 544 C ARG A 34 -9.569 1.911 -3.942 1.00 0.00 C ATOM 545 O ARG A 34 -9.952 2.872 -4.609 1.00 0.00 O ATOM 546 CB ARG A 34 -9.275 2.231 -1.468 1.00 0.00 C ATOM 547 CG ARG A 34 -10.062 2.876 -0.340 1.00 0.00 C ATOM 548 CD ARG A 34 -9.308 4.047 0.270 1.00 0.00 C ATOM 549 NE ARG A 34 -10.121 4.775 1.243 1.00 0.00 N ATOM 550 CZ ARG A 34 -9.698 5.840 1.924 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.470 6.315 1.741 1.00 0.00 N ATOM 552 NH2 ARG A 34 -10.508 6.436 2.790 1.00 0.00 N ATOM 0 H ARG A 34 -9.804 -0.180 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.144 2.088 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.637 1.450 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.617 2.977 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.025 3.220 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.268 2.134 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.403 3.682 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.994 4.728 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.072 4.447 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.843 5.864 1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.155 7.130 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.453 6.079 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.186 7.251 3.312 1.00 0.00 H new ATOM 566 N GLN A 35 -8.644 1.056 -4.367 1.00 0.00 N ATOM 567 CA GLN A 35 -8.013 1.201 -5.672 1.00 0.00 C ATOM 568 C GLN A 35 -9.045 1.048 -6.788 1.00 0.00 C ATOM 569 O GLN A 35 -8.885 1.599 -7.875 1.00 0.00 O ATOM 570 CB GLN A 35 -6.901 0.164 -5.841 1.00 0.00 C ATOM 571 CG GLN A 35 -5.797 0.279 -4.803 1.00 0.00 C ATOM 572 CD GLN A 35 -4.707 1.248 -5.217 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.477 2.261 -4.556 1.00 0.00 O ATOM 574 NE2 GLN A 35 -4.027 0.940 -6.314 1.00 0.00 N ATOM 0 H GLN A 35 -8.316 0.256 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.579 2.199 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.336 -0.834 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.466 0.269 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.227 0.604 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.359 -0.704 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.251 0.090 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.280 1.553 -6.640 1.00 0.00 H new ATOM 583 N ILE A 36 -10.111 0.298 -6.506 1.00 0.00 N ATOM 584 CA ILE A 36 -11.171 0.080 -7.481 1.00 0.00 C ATOM 585 C ILE A 36 -11.909 1.382 -7.766 1.00 0.00 C ATOM 586 O ILE A 36 -11.963 1.841 -8.908 1.00 0.00 O ATOM 587 CB ILE A 36 -12.182 -0.979 -6.994 1.00 0.00 C ATOM 588 CG1 ILE A 36 -11.453 -2.254 -6.563 1.00 0.00 C ATOM 589 CG2 ILE A 36 -13.202 -1.285 -8.081 1.00 0.00 C ATOM 590 CD1 ILE A 36 -10.763 -2.975 -7.701 1.00 0.00 C ATOM 0 H ILE A 36 -10.260 -0.167 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.700 -0.284 -8.394 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.714 -0.578 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.713 -2.000 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.169 -2.931 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.906 -2.034 -7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.742 -0.374 -8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.689 -1.666 -8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.268 -3.868 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.501 -3.261 -8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.022 -2.316 -8.154 1.00 0.00 H new ATOM 602 N VAL A 37 -12.470 1.977 -6.718 1.00 0.00 N ATOM 603 CA VAL A 37 -13.197 3.231 -6.851 1.00 0.00 C ATOM 604 C VAL A 37 -12.281 4.331 -7.377 1.00 0.00 C ATOM 605 O VAL A 37 -12.688 5.152 -8.200 1.00 0.00 O ATOM 606 CB VAL A 37 -13.803 3.676 -5.505 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.670 4.912 -5.686 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.604 2.542 -4.882 1.00 0.00 C ATOM 0 H VAL A 37 -12.434 1.609 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.007 3.061 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.987 3.932 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.087 5.208 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.065 5.726 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.481 4.689 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.025 2.873 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.411 2.253 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.951 1.686 -4.711 1.00 0.00 H new ATOM 618 N ASN A 38 -11.039 4.334 -6.899 1.00 0.00 N ATOM 619 CA ASN A 38 -10.059 5.326 -7.326 1.00 0.00 C ATOM 620 C ASN A 38 -9.838 5.245 -8.833 1.00 0.00 C ATOM 621 O ASN A 38 -9.612 6.258 -9.495 1.00 0.00 O ATOM 622 CB ASN A 38 -8.735 5.120 -6.587 1.00 0.00 C ATOM 623 CG ASN A 38 -8.610 6.018 -5.372 1.00 0.00 C ATOM 624 OD1 ASN A 38 -8.066 7.118 -5.452 1.00 0.00 O ATOM 625 ND2 ASN A 38 -9.115 5.550 -4.236 1.00 0.00 N ATOM 0 H ASN A 38 -10.689 3.661 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.445 6.316 -7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.653 4.078 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.907 5.316 -7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.060 6.109 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.558 4.631 -4.215 1.00 0.00 H new ATOM 632 N SER A 39 -9.918 4.031 -9.369 1.00 0.00 N ATOM 633 CA SER A 39 -9.738 3.818 -10.797 1.00 0.00 C ATOM 634 C SER A 39 -10.874 4.466 -11.584 1.00 0.00 C ATOM 635 O SER A 39 -10.688 4.894 -12.722 1.00 0.00 O ATOM 636 CB SER A 39 -9.676 2.322 -11.109 1.00 0.00 C ATOM 637 OG SER A 39 -8.902 2.074 -12.269 1.00 0.00 O ATOM 0 H SER A 39 -10.106 3.182 -8.835 1.00 0.00 H new ATOM 0 HA SER A 39 -8.797 4.281 -11.095 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.247 1.788 -10.261 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.685 1.935 -11.252 1.00 0.00 H new ATOM 0 HG SER A 39 -8.877 1.110 -12.446 1.00 0.00 H new ATOM 643 N CYS A 40 -12.049 4.540 -10.964 1.00 0.00 N ATOM 644 CA CYS A 40 -13.214 5.142 -11.600 1.00 0.00 C ATOM 645 C CYS A 40 -13.069 6.658 -11.667 1.00 0.00 C ATOM 646 O CYS A 40 -12.838 7.314 -10.652 1.00 0.00 O ATOM 647 CB CYS A 40 -14.489 4.775 -10.837 1.00 0.00 C ATOM 648 SG CYS A 40 -16.006 5.351 -11.631 1.00 0.00 S ATOM 0 H CYS A 40 -12.218 4.190 -10.021 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.284 4.753 -12.616 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.536 3.692 -10.727 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.434 5.195 -9.833 1.00 0.00 H new ATOM 0 HG CYS A 40 -16.863 5.708 -10.721 1.00 0.00 H new ATOM 653 N ALA A 41 -13.201 7.208 -12.869 1.00 0.00 N ATOM 654 CA ALA A 41 -13.081 8.647 -13.069 1.00 0.00 C ATOM 655 C ALA A 41 -14.369 9.373 -12.691 1.00 0.00 C ATOM 656 O ALA A 41 -14.331 10.468 -12.129 1.00 0.00 O ATOM 657 CB ALA A 41 -12.707 8.947 -14.513 1.00 0.00 C ATOM 0 H ALA A 41 -13.391 6.679 -13.720 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.290 9.012 -12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.620 10.025 -14.650 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.754 8.474 -14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.479 8.558 -15.177 1.00 0.00 H new ATOM 663 N GLN A 42 -15.506 8.761 -13.007 1.00 0.00 N ATOM 664 CA GLN A 42 -16.806 9.356 -12.705 1.00 0.00 C ATOM 665 C GLN A 42 -17.034 9.460 -11.199 1.00 0.00 C ATOM 666 O GLN A 42 -17.769 10.333 -10.733 1.00 0.00 O ATOM 667 CB GLN A 42 -17.926 8.534 -13.343 1.00 0.00 C ATOM 668 CG GLN A 42 -17.864 8.493 -14.860 1.00 0.00 C ATOM 669 CD GLN A 42 -18.922 7.590 -15.463 1.00 0.00 C ATOM 670 OE1 GLN A 42 -20.061 8.009 -15.680 1.00 0.00 O ATOM 671 NE2 GLN A 42 -18.553 6.344 -15.733 1.00 0.00 N ATOM 0 H GLN A 42 -15.555 7.854 -13.472 1.00 0.00 H new ATOM 0 HA GLN A 42 -16.815 10.363 -13.121 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -17.881 7.515 -12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -18.887 8.948 -13.038 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -17.987 9.503 -15.252 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -16.878 8.148 -15.170 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -17.599 6.041 -15.537 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -19.223 5.690 -16.137 1.00 0.00 H new ATOM 680 N CYS A 43 -16.407 8.567 -10.440 1.00 0.00 N ATOM 681 CA CYS A 43 -16.550 8.565 -8.990 1.00 0.00 C ATOM 682 C CYS A 43 -15.475 9.422 -8.330 1.00 0.00 C ATOM 683 O CYS A 43 -15.698 9.999 -7.266 1.00 0.00 O ATOM 684 CB CYS A 43 -16.490 7.134 -8.451 1.00 0.00 C ATOM 685 SG CYS A 43 -18.049 6.227 -8.592 1.00 0.00 S ATOM 0 H CYS A 43 -15.796 7.837 -10.805 1.00 0.00 H new ATOM 0 HA CYS A 43 -17.522 8.994 -8.747 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -15.714 6.587 -8.987 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -16.193 7.164 -7.403 1.00 0.00 H new ATOM 0 HG CYS A 43 -17.808 5.006 -8.969 1.00 0.00 H new ATOM 690 N GLN A 44 -14.313 9.507 -8.967 1.00 0.00 N ATOM 691 CA GLN A 44 -13.211 10.302 -8.437 1.00 0.00 C ATOM 692 C GLN A 44 -13.608 11.772 -8.339 1.00 0.00 C ATOM 693 O GLN A 44 -13.437 12.406 -7.296 1.00 0.00 O ATOM 694 CB GLN A 44 -11.970 10.146 -9.320 1.00 0.00 C ATOM 695 CG GLN A 44 -10.956 9.152 -8.774 1.00 0.00 C ATOM 696 CD GLN A 44 -9.724 9.036 -9.649 1.00 0.00 C ATOM 697 OE1 GLN A 44 -8.632 9.453 -9.262 1.00 0.00 O ATOM 698 NE2 GLN A 44 -9.893 8.469 -10.837 1.00 0.00 N ATOM 0 H GLN A 44 -14.109 9.037 -9.849 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.976 9.940 -7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.280 9.827 -10.315 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.490 11.118 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.657 9.457 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.426 8.173 -8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.816 8.137 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.100 8.365 -11.470 1.00 0.00 H new ATOM 845 N GLU B 6 3.741 -7.702 2.683 1.00 0.00 N ATOM 846 CA GLU B 6 4.374 -7.295 3.936 1.00 0.00 C ATOM 847 C GLU B 6 5.892 -7.493 3.869 1.00 0.00 C ATOM 848 O GLU B 6 6.654 -6.562 4.128 1.00 0.00 O ATOM 849 CB GLU B 6 3.787 -8.085 5.108 1.00 0.00 C ATOM 850 CG GLU B 6 2.657 -7.362 5.820 1.00 0.00 C ATOM 851 CD GLU B 6 2.025 -8.201 6.916 1.00 0.00 C ATOM 852 OE1 GLU B 6 2.212 -9.436 6.899 1.00 0.00 O ATOM 853 OE2 GLU B 6 1.347 -7.623 7.788 1.00 0.00 O ATOM 0 HA GLU B 6 4.174 -6.235 4.091 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.421 -9.044 4.742 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.580 -8.299 5.825 1.00 0.00 H new ATOM 0 HG2 GLU B 6 3.038 -6.436 6.251 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.893 -7.085 5.093 1.00 0.00 H new ATOM 860 N PRO B 7 6.358 -8.709 3.507 1.00 0.00 N ATOM 861 CA PRO B 7 7.792 -9.006 3.397 1.00 0.00 C ATOM 862 C PRO B 7 8.558 -7.919 2.643 1.00 0.00 C ATOM 863 O PRO B 7 9.644 -7.509 3.054 1.00 0.00 O ATOM 864 CB PRO B 7 7.815 -10.312 2.607 1.00 0.00 C ATOM 865 CG PRO B 7 6.537 -10.985 2.961 1.00 0.00 C ATOM 866 CD PRO B 7 5.530 -9.886 3.170 1.00 0.00 C ATOM 0 HA PRO B 7 8.272 -9.066 4.374 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.882 -10.126 1.535 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.675 -10.925 2.878 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.218 -11.659 2.166 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.650 -11.587 3.863 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.935 -9.713 2.273 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.834 -10.129 3.973 1.00 0.00 H new ATOM 874 N ALA B 8 7.977 -7.455 1.542 1.00 0.00 N ATOM 875 CA ALA B 8 8.596 -6.412 0.732 1.00 0.00 C ATOM 876 C ALA B 8 8.772 -5.135 1.542 1.00 0.00 C ATOM 877 O ALA B 8 9.790 -4.453 1.433 1.00 0.00 O ATOM 878 CB ALA B 8 7.760 -6.144 -0.513 1.00 0.00 C ATOM 0 H ALA B 8 7.078 -7.785 1.190 1.00 0.00 H new ATOM 0 HA ALA B 8 9.582 -6.757 0.421 1.00 0.00 H new ATOM 0 HB1 ALA B 8 8.234 -5.363 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.685 -7.056 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.762 -5.820 -0.218 1.00 0.00 H new ATOM 884 N GLN B 9 7.774 -4.822 2.360 1.00 0.00 N ATOM 885 CA GLN B 9 7.816 -3.630 3.197 1.00 0.00 C ATOM 886 C GLN B 9 8.986 -3.699 4.173 1.00 0.00 C ATOM 887 O GLN B 9 9.674 -2.706 4.407 1.00 0.00 O ATOM 888 CB GLN B 9 6.501 -3.469 3.959 1.00 0.00 C ATOM 889 CG GLN B 9 5.313 -3.155 3.061 1.00 0.00 C ATOM 890 CD GLN B 9 4.050 -2.861 3.847 1.00 0.00 C ATOM 891 OE1 GLN B 9 4.039 -2.001 4.728 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.977 -3.576 3.531 1.00 0.00 N ATOM 0 H GLN B 9 6.925 -5.378 2.461 1.00 0.00 H new ATOM 0 HA GLN B 9 7.956 -2.763 2.552 1.00 0.00 H new ATOM 0 HB2 GLN B 9 6.296 -4.386 4.512 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.611 -2.672 4.694 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.554 -2.297 2.433 1.00 0.00 H new ATOM 0 HG3 GLN B 9 5.134 -3.998 2.394 1.00 0.00 H new ATOM 0 HE21 GLN B 9 3.031 -4.279 2.794 1.00 0.00 H new ATOM 0 HE22 GLN B 9 2.098 -3.423 4.026 1.00 0.00 H new ATOM 901 N GLU B 10 9.214 -4.885 4.734 1.00 0.00 N ATOM 902 CA GLU B 10 10.310 -5.083 5.678 1.00 0.00 C ATOM 903 C GLU B 10 11.653 -4.864 4.992 1.00 0.00 C ATOM 904 O GLU B 10 12.597 -4.359 5.597 1.00 0.00 O ATOM 905 CB GLU B 10 10.252 -6.492 6.277 1.00 0.00 C ATOM 906 CG GLU B 10 11.178 -6.682 7.469 1.00 0.00 C ATOM 907 CD GLU B 10 11.231 -8.123 7.941 1.00 0.00 C ATOM 908 OE1 GLU B 10 10.274 -8.875 7.662 1.00 0.00 O ATOM 909 OE2 GLU B 10 12.230 -8.498 8.589 1.00 0.00 O ATOM 0 H GLU B 10 8.657 -5.720 4.552 1.00 0.00 H new ATOM 0 HA GLU B 10 10.204 -4.354 6.481 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.228 -6.706 6.584 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.512 -7.217 5.506 1.00 0.00 H new ATOM 0 HG2 GLU B 10 12.182 -6.354 7.200 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.844 -6.047 8.289 1.00 0.00 H new ATOM 916 N GLU B 11 11.726 -5.246 3.719 1.00 0.00 N ATOM 917 CA GLU B 11 12.949 -5.088 2.941 1.00 0.00 C ATOM 918 C GLU B 11 13.237 -3.616 2.687 1.00 0.00 C ATOM 919 O GLU B 11 14.385 -3.179 2.771 1.00 0.00 O ATOM 920 CB GLU B 11 12.837 -5.839 1.612 1.00 0.00 C ATOM 921 CG GLU B 11 14.103 -5.789 0.775 1.00 0.00 C ATOM 922 CD GLU B 11 15.324 -6.268 1.536 1.00 0.00 C ATOM 923 OE1 GLU B 11 15.171 -7.147 2.410 1.00 0.00 O ATOM 924 OE2 GLU B 11 16.432 -5.766 1.256 1.00 0.00 O ATOM 0 H GLU B 11 10.952 -5.667 3.206 1.00 0.00 H new ATOM 0 HA GLU B 11 13.775 -5.509 3.514 1.00 0.00 H new ATOM 0 HB2 GLU B 11 12.586 -6.880 1.813 1.00 0.00 H new ATOM 0 HB3 GLU B 11 12.014 -5.418 1.035 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.970 -6.404 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU B 11 14.269 -4.767 0.435 1.00 0.00 H new ATOM 931 N HIS B 12 12.194 -2.847 2.387 1.00 0.00 N ATOM 932 CA HIS B 12 12.369 -1.424 2.142 1.00 0.00 C ATOM 933 C HIS B 12 12.763 -0.715 3.436 1.00 0.00 C ATOM 934 O HIS B 12 13.571 0.208 3.428 1.00 0.00 O ATOM 935 CB HIS B 12 11.097 -0.783 1.559 1.00 0.00 C ATOM 936 CG HIS B 12 11.263 0.685 1.317 1.00 0.00 C ATOM 937 ND1 HIS B 12 11.293 1.275 0.071 1.00 0.00 N ATOM 938 CD2 HIS B 12 11.536 1.666 2.205 1.00 0.00 C ATOM 939 CE1 HIS B 12 11.596 2.572 0.243 1.00 0.00 C ATOM 940 NE2 HIS B 12 11.752 2.852 1.522 1.00 0.00 N ATOM 0 H HIS B 12 11.233 -3.181 2.309 1.00 0.00 H new ATOM 0 HA HIS B 12 13.165 -1.311 1.406 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.840 -1.277 0.622 1.00 0.00 H new ATOM 0 HB3 HIS B 12 10.264 -0.945 2.244 1.00 0.00 H new ATOM 0 HD1 HIS B 12 11.117 0.811 -0.820 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.579 1.545 3.277 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.698 3.289 -0.558 1.00 0.00 H new ATOM 948 N GLU B 13 12.179 -1.138 4.544 1.00 0.00 N ATOM 949 CA GLU B 13 12.467 -0.530 5.835 1.00 0.00 C ATOM 950 C GLU B 13 13.909 -0.785 6.281 1.00 0.00 C ATOM 951 O GLU B 13 14.374 -0.187 7.251 1.00 0.00 O ATOM 952 CB GLU B 13 11.496 -1.058 6.892 1.00 0.00 C ATOM 953 CG GLU B 13 10.108 -0.446 6.799 1.00 0.00 C ATOM 954 CD GLU B 13 9.178 -0.935 7.892 1.00 0.00 C ATOM 955 OE1 GLU B 13 9.680 -1.444 8.914 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.946 -0.809 7.724 1.00 0.00 O ATOM 0 H GLU B 13 11.502 -1.900 4.577 1.00 0.00 H new ATOM 0 HA GLU B 13 12.340 0.547 5.724 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.415 -2.140 6.791 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.906 -0.860 7.882 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.190 0.639 6.856 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.675 -0.683 5.827 1.00 0.00 H new ATOM 963 N LYS B 14 14.617 -1.683 5.591 1.00 0.00 N ATOM 964 CA LYS B 14 15.990 -2.006 5.956 1.00 0.00 C ATOM 965 C LYS B 14 17.017 -1.391 4.996 1.00 0.00 C ATOM 966 O LYS B 14 18.187 -1.249 5.350 1.00 0.00 O ATOM 967 CB LYS B 14 16.168 -3.526 6.009 1.00 0.00 C ATOM 968 CG LYS B 14 17.029 -4.005 7.163 1.00 0.00 C ATOM 969 CD LYS B 14 17.450 -5.456 6.975 1.00 0.00 C ATOM 970 CE LYS B 14 16.491 -6.417 7.665 1.00 0.00 C ATOM 971 NZ LYS B 14 17.145 -7.168 8.777 1.00 0.00 N ATOM 0 H LYS B 14 14.261 -2.194 4.783 1.00 0.00 H new ATOM 0 HA LYS B 14 16.173 -1.573 6.940 1.00 0.00 H new ATOM 0 HB2 LYS B 14 15.187 -3.994 6.082 1.00 0.00 H new ATOM 0 HB3 LYS B 14 16.613 -3.863 5.073 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.915 -3.375 7.244 1.00 0.00 H new ATOM 0 HG3 LYS B 14 16.478 -3.902 8.098 1.00 0.00 H new ATOM 0 HD2 LYS B 14 17.493 -5.687 5.911 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.455 -5.597 7.373 1.00 0.00 H new ATOM 0 HE2 LYS B 14 15.640 -5.859 8.057 1.00 0.00 H new ATOM 0 HE3 LYS B 14 16.099 -7.124 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 16.454 -7.809 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 17.941 -7.722 8.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 17.496 -6.497 9.490 1.00 0.00 H new ATOM 985 N TYR B 15 16.595 -1.040 3.778 1.00 0.00 N ATOM 986 CA TYR B 15 17.523 -0.460 2.802 1.00 0.00 C ATOM 987 C TYR B 15 16.852 0.551 1.863 1.00 0.00 C ATOM 988 O TYR B 15 17.411 0.887 0.818 1.00 0.00 O ATOM 989 CB TYR B 15 18.147 -1.576 1.965 1.00 0.00 C ATOM 990 CG TYR B 15 18.707 -2.716 2.786 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.986 -2.645 3.325 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.961 -3.870 3.017 1.00 0.00 C ATOM 993 CE1 TYR B 15 20.504 -3.685 4.073 1.00 0.00 C ATOM 994 CE2 TYR B 15 18.475 -4.911 3.764 1.00 0.00 C ATOM 995 CZ TYR B 15 19.745 -4.815 4.290 1.00 0.00 C ATOM 996 OH TYR B 15 20.258 -5.852 5.034 1.00 0.00 O ATOM 0 H TYR B 15 15.636 -1.144 3.448 1.00 0.00 H new ATOM 0 HA TYR B 15 18.283 0.076 3.370 1.00 0.00 H new ATOM 0 HB2 TYR B 15 17.394 -1.969 1.281 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.945 -1.155 1.353 1.00 0.00 H new ATOM 0 HD1 TYR B 15 20.585 -1.762 3.156 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.966 -3.951 2.605 1.00 0.00 H new ATOM 0 HE1 TYR B 15 21.499 -3.613 4.486 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.883 -5.798 3.936 1.00 0.00 H new ATOM 0 HH TYR B 15 19.595 -6.572 5.093 1.00 0.00 H new ATOM 1006 N HIS B 16 15.656 1.021 2.223 1.00 0.00 N ATOM 1007 CA HIS B 16 14.898 1.982 1.404 1.00 0.00 C ATOM 1008 C HIS B 16 14.959 1.640 -0.088 1.00 0.00 C ATOM 1009 O HIS B 16 15.187 2.510 -0.931 1.00 0.00 O ATOM 1010 CB HIS B 16 15.381 3.417 1.639 1.00 0.00 C ATOM 1011 CG HIS B 16 15.127 3.920 3.030 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.900 4.427 3.424 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.979 3.974 4.083 1.00 0.00 C ATOM 1014 CE1 HIS B 16 14.042 4.770 4.692 1.00 0.00 C ATOM 1015 NE2 HIS B 16 15.282 4.516 5.133 1.00 0.00 N ATOM 0 H HIS B 16 15.183 0.751 3.086 1.00 0.00 H new ATOM 0 HA HIS B 16 13.857 1.909 1.720 1.00 0.00 H new ATOM 0 HB2 HIS B 16 16.450 3.469 1.433 1.00 0.00 H new ATOM 0 HB3 HIS B 16 14.887 4.078 0.927 1.00 0.00 H new ATOM 0 HD1 HIS B 16 13.060 4.517 2.853 1.00 0.00 H new ATOM 0 HD2 HIS B 16 17.010 3.652 4.093 1.00 0.00 H new ATOM 0 HE1 HIS B 16 13.258 5.201 5.297 1.00 0.00 H new ATOM 1023 N SER B 17 14.758 0.364 -0.401 1.00 0.00 N ATOM 1024 CA SER B 17 14.795 -0.110 -1.780 1.00 0.00 C ATOM 1025 C SER B 17 13.659 0.493 -2.604 1.00 0.00 C ATOM 1026 O SER B 17 12.540 0.653 -2.115 1.00 0.00 O ATOM 1027 CB SER B 17 14.708 -1.634 -1.814 1.00 0.00 C ATOM 1028 OG SER B 17 15.966 -2.224 -1.534 1.00 0.00 O ATOM 0 H SER B 17 14.567 -0.365 0.287 1.00 0.00 H new ATOM 0 HA SER B 17 15.740 0.209 -2.219 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.973 -1.976 -1.086 1.00 0.00 H new ATOM 0 HB3 SER B 17 14.360 -1.960 -2.794 1.00 0.00 H new ATOM 0 HG SER B 17 15.883 -3.200 -1.560 1.00 0.00 H new ATOM 1034 N ASN B 18 13.957 0.822 -3.857 1.00 0.00 N ATOM 1035 CA ASN B 18 12.967 1.404 -4.755 1.00 0.00 C ATOM 1036 C ASN B 18 12.008 0.338 -5.278 1.00 0.00 C ATOM 1037 O ASN B 18 12.199 -0.855 -5.037 1.00 0.00 O ATOM 1038 CB ASN B 18 13.659 2.099 -5.931 1.00 0.00 C ATOM 1039 CG ASN B 18 14.406 3.348 -5.506 1.00 0.00 C ATOM 1040 OD1 ASN B 18 14.645 3.571 -4.320 1.00 0.00 O ATOM 1041 ND2 ASN B 18 14.780 4.173 -6.478 1.00 0.00 N ATOM 0 H ASN B 18 14.879 0.695 -4.274 1.00 0.00 H new ATOM 0 HA ASN B 18 12.393 2.139 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN B 18 14.355 1.405 -6.401 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.915 2.362 -6.683 1.00 0.00 H new ATOM 0 HD21 ASN B 18 15.286 5.030 -6.253 1.00 0.00 H new ATOM 0 HD22 ASN B 18 14.561 3.950 -7.449 1.00 0.00 H new ATOM 1048 N VAL B 19 10.978 0.778 -5.995 1.00 0.00 N ATOM 1049 CA VAL B 19 9.978 -0.126 -6.556 1.00 0.00 C ATOM 1050 C VAL B 19 10.617 -1.197 -7.437 1.00 0.00 C ATOM 1051 O VAL B 19 10.365 -2.389 -7.261 1.00 0.00 O ATOM 1052 CB VAL B 19 8.935 0.650 -7.389 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.827 -0.273 -7.883 1.00 0.00 C ATOM 1054 CG2 VAL B 19 8.357 1.794 -6.576 1.00 0.00 C ATOM 0 H VAL B 19 10.813 1.763 -6.203 1.00 0.00 H new ATOM 0 HA VAL B 19 9.485 -0.610 -5.713 1.00 0.00 H new ATOM 0 HB VAL B 19 9.438 1.063 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL B 19 7.108 0.302 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL B 19 8.257 -1.056 -8.507 1.00 0.00 H new ATOM 0 HG13 VAL B 19 7.323 -0.726 -7.029 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.623 2.332 -7.176 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.875 1.398 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL B 19 9.157 2.474 -6.285 1.00 0.00 H new ATOM 1064 N LYS B 20 11.439 -0.764 -8.389 1.00 0.00 N ATOM 1065 CA LYS B 20 12.109 -1.687 -9.308 1.00 0.00 C ATOM 1066 C LYS B 20 12.838 -2.799 -8.557 1.00 0.00 C ATOM 1067 O LYS B 20 12.979 -3.912 -9.066 1.00 0.00 O ATOM 1068 CB LYS B 20 13.093 -0.929 -10.201 1.00 0.00 C ATOM 1069 CG LYS B 20 13.580 -1.741 -11.391 1.00 0.00 C ATOM 1070 CD LYS B 20 14.859 -2.499 -11.065 1.00 0.00 C ATOM 1071 CE LYS B 20 16.089 -1.800 -11.628 1.00 0.00 C ATOM 1072 NZ LYS B 20 16.737 -2.599 -12.705 1.00 0.00 N ATOM 0 H LYS B 20 11.659 0.220 -8.546 1.00 0.00 H new ATOM 0 HA LYS B 20 11.340 -2.148 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.616 -0.018 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.952 -0.623 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS B 20 12.805 -2.446 -11.693 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.755 -1.078 -12.238 1.00 0.00 H new ATOM 0 HD2 LYS B 20 14.959 -2.596 -9.984 1.00 0.00 H new ATOM 0 HD3 LYS B 20 14.797 -3.509 -11.471 1.00 0.00 H new ATOM 0 HE2 LYS B 20 15.804 -0.824 -12.021 1.00 0.00 H new ATOM 0 HE3 LYS B 20 16.805 -1.623 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 17.570 -2.089 -13.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 17.032 -3.521 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 16.062 -2.746 -13.482 1.00 0.00 H new ATOM 1086 N GLU B 21 13.290 -2.497 -7.347 1.00 0.00 N ATOM 1087 CA GLU B 21 13.996 -3.477 -6.531 1.00 0.00 C ATOM 1088 C GLU B 21 13.006 -4.419 -5.855 1.00 0.00 C ATOM 1089 O GLU B 21 13.185 -5.636 -5.865 1.00 0.00 O ATOM 1090 CB GLU B 21 14.850 -2.776 -5.477 1.00 0.00 C ATOM 1091 CG GLU B 21 15.669 -1.620 -6.029 1.00 0.00 C ATOM 1092 CD GLU B 21 17.165 -1.841 -5.895 1.00 0.00 C ATOM 1093 OE1 GLU B 21 17.641 -2.010 -4.753 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.858 -1.846 -6.935 1.00 0.00 O ATOM 0 H GLU B 21 13.181 -1.582 -6.909 1.00 0.00 H new ATOM 0 HA GLU B 21 14.648 -4.060 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.201 -2.405 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU B 21 15.523 -3.504 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.421 -1.474 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.394 -0.704 -5.507 1.00 0.00 H new ATOM 1101 N LEU B 22 11.957 -3.845 -5.271 1.00 0.00 N ATOM 1102 CA LEU B 22 10.934 -4.633 -4.595 1.00 0.00 C ATOM 1103 C LEU B 22 10.180 -5.502 -5.598 1.00 0.00 C ATOM 1104 O LEU B 22 9.744 -6.607 -5.276 1.00 0.00 O ATOM 1105 CB LEU B 22 9.948 -3.718 -3.861 1.00 0.00 C ATOM 1106 CG LEU B 22 10.421 -3.179 -2.505 1.00 0.00 C ATOM 1107 CD1 LEU B 22 10.970 -4.298 -1.632 1.00 0.00 C ATOM 1108 CD2 LEU B 22 11.463 -2.087 -2.698 1.00 0.00 C ATOM 0 H LEU B 22 11.795 -2.838 -5.253 1.00 0.00 H new ATOM 0 HA LEU B 22 11.428 -5.277 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.717 -2.871 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.018 -4.265 -3.709 1.00 0.00 H new ATOM 0 HG LEU B 22 9.560 -2.748 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.298 -3.887 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.191 -5.040 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.815 -4.769 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.787 -1.717 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.320 -2.493 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.030 -1.268 -3.272 1.00 0.00 H new ATOM 1120 N SER B 23 10.025 -4.988 -6.815 1.00 0.00 N ATOM 1121 CA SER B 23 9.322 -5.711 -7.870 1.00 0.00 C ATOM 1122 C SER B 23 10.194 -6.823 -8.449 1.00 0.00 C ATOM 1123 O SER B 23 9.701 -7.894 -8.797 1.00 0.00 O ATOM 1124 CB SER B 23 8.899 -4.744 -8.978 1.00 0.00 C ATOM 1125 OG SER B 23 8.577 -5.439 -10.171 1.00 0.00 O ATOM 0 H SER B 23 10.377 -4.073 -7.095 1.00 0.00 H new ATOM 0 HA SER B 23 8.433 -6.168 -7.435 1.00 0.00 H new ATOM 0 HB2 SER B 23 8.037 -4.164 -8.648 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.704 -4.036 -9.173 1.00 0.00 H new ATOM 0 HG SER B 23 7.639 -5.722 -10.142 1.00 0.00 H new ATOM 1131 N HIS B 24 11.490 -6.554 -8.552 1.00 0.00 N ATOM 1132 CA HIS B 24 12.431 -7.528 -9.093 1.00 0.00 C ATOM 1133 C HIS B 24 12.812 -8.568 -8.043 1.00 0.00 C ATOM 1134 O HIS B 24 13.056 -9.732 -8.368 1.00 0.00 O ATOM 1135 CB HIS B 24 13.689 -6.816 -9.606 1.00 0.00 C ATOM 1136 CG HIS B 24 14.726 -7.744 -10.165 1.00 0.00 C ATOM 1137 ND1 HIS B 24 14.608 -8.276 -11.424 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.870 -8.199 -9.596 1.00 0.00 C ATOM 1139 CE1 HIS B 24 15.671 -9.040 -11.595 1.00 0.00 C ATOM 1140 NE2 HIS B 24 16.467 -9.025 -10.514 1.00 0.00 N ATOM 0 H HIS B 24 11.913 -5.670 -8.268 1.00 0.00 H new ATOM 0 HA HIS B 24 11.945 -8.043 -9.922 1.00 0.00 H new ATOM 0 HB2 HIS B 24 13.401 -6.101 -10.377 1.00 0.00 H new ATOM 0 HB3 HIS B 24 14.130 -6.244 -8.789 1.00 0.00 H new ATOM 0 HD2 HIS B 24 16.240 -7.958 -8.610 1.00 0.00 H new ATOM 0 HE1 HIS B 24 15.875 -9.606 -12.492 1.00 0.00 H new ATOM 0 HE2 HIS B 24 17.346 -9.530 -10.398 1.00 0.00 H new ATOM 1148 N LYS B 25 12.874 -8.143 -6.787 1.00 0.00 N ATOM 1149 CA LYS B 25 13.240 -9.040 -5.695 1.00 0.00 C ATOM 1150 C LYS B 25 12.078 -9.948 -5.301 1.00 0.00 C ATOM 1151 O LYS B 25 12.200 -11.173 -5.330 1.00 0.00 O ATOM 1152 CB LYS B 25 13.704 -8.235 -4.479 1.00 0.00 C ATOM 1153 CG LYS B 25 14.473 -9.063 -3.463 1.00 0.00 C ATOM 1154 CD LYS B 25 14.543 -8.369 -2.113 1.00 0.00 C ATOM 1155 CE LYS B 25 15.025 -9.316 -1.028 1.00 0.00 C ATOM 1156 NZ LYS B 25 14.332 -10.633 -1.092 1.00 0.00 N ATOM 0 H LYS B 25 12.676 -7.185 -6.498 1.00 0.00 H new ATOM 0 HA LYS B 25 14.058 -9.669 -6.046 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.334 -7.412 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.835 -7.793 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS B 25 13.994 -10.035 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.482 -9.246 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.215 -7.513 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS B 25 13.559 -7.982 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS B 25 16.100 -9.466 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.856 -8.864 -0.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.477 -11.145 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 13.314 -10.483 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.720 -11.192 -1.879 1.00 0.00 H new ATOM 1170 N PHE B 26 10.957 -9.344 -4.924 1.00 0.00 N ATOM 1171 CA PHE B 26 9.782 -10.109 -4.512 1.00 0.00 C ATOM 1172 C PHE B 26 8.853 -10.429 -5.689 1.00 0.00 C ATOM 1173 O PHE B 26 7.756 -10.950 -5.490 1.00 0.00 O ATOM 1174 CB PHE B 26 9.016 -9.346 -3.431 1.00 0.00 C ATOM 1175 CG PHE B 26 9.770 -9.245 -2.138 1.00 0.00 C ATOM 1176 CD1 PHE B 26 10.635 -8.188 -1.905 1.00 0.00 C ATOM 1177 CD2 PHE B 26 9.617 -10.211 -1.157 1.00 0.00 C ATOM 1178 CE1 PHE B 26 11.334 -8.096 -0.715 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.311 -10.123 0.035 1.00 0.00 C ATOM 1180 CZ PHE B 26 11.171 -9.064 0.255 1.00 0.00 C ATOM 0 H PHE B 26 10.835 -8.332 -4.894 1.00 0.00 H new ATOM 0 HA PHE B 26 10.136 -11.059 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.791 -8.343 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.062 -9.842 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE B 26 10.765 -7.428 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE B 26 8.948 -11.042 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE B 26 12.006 -7.268 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE B 26 10.181 -10.881 0.793 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.715 -8.994 1.185 1.00 0.00 H new ATOM 1190 N GLY B 27 9.296 -10.133 -6.912 1.00 0.00 N ATOM 1191 CA GLY B 27 8.483 -10.418 -8.085 1.00 0.00 C ATOM 1192 C GLY B 27 7.082 -9.836 -8.005 1.00 0.00 C ATOM 1193 O GLY B 27 6.104 -10.517 -8.316 1.00 0.00 O ATOM 0 H GLY B 27 10.199 -9.703 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.983 -10.022 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY B 27 8.413 -11.498 -8.215 1.00 0.00 H new ATOM 1197 N ILE B 28 6.982 -8.577 -7.595 1.00 0.00 N ATOM 1198 CA ILE B 28 5.688 -7.909 -7.485 1.00 0.00 C ATOM 1199 C ILE B 28 5.564 -6.784 -8.514 1.00 0.00 C ATOM 1200 O ILE B 28 6.567 -6.189 -8.909 1.00 0.00 O ATOM 1201 CB ILE B 28 5.469 -7.321 -6.076 1.00 0.00 C ATOM 1202 CG1 ILE B 28 6.652 -6.440 -5.676 1.00 0.00 C ATOM 1203 CG2 ILE B 28 5.262 -8.436 -5.062 1.00 0.00 C ATOM 1204 CD1 ILE B 28 6.480 -5.772 -4.330 1.00 0.00 C ATOM 0 H ILE B 28 7.780 -7.998 -7.333 1.00 0.00 H new ATOM 0 HA ILE B 28 4.927 -8.666 -7.675 1.00 0.00 H new ATOM 0 HB ILE B 28 4.572 -6.702 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE B 28 7.557 -7.047 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.797 -5.673 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE B 28 5.109 -8.004 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE B 28 4.387 -9.024 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE B 28 6.141 -9.080 -5.045 1.00 0.00 H new ATOM 0 HD11 ILE B 28 7.357 -5.163 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.594 -5.138 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE B 28 6.365 -6.533 -3.558 1.00 0.00 H new ATOM 1216 N PRO B 29 4.332 -6.468 -8.967 1.00 0.00 N ATOM 1217 CA PRO B 29 4.109 -5.404 -9.952 1.00 0.00 C ATOM 1218 C PRO B 29 4.461 -4.027 -9.400 1.00 0.00 C ATOM 1219 O PRO B 29 4.533 -3.835 -8.186 1.00 0.00 O ATOM 1220 CB PRO B 29 2.608 -5.494 -10.248 1.00 0.00 C ATOM 1221 CG PRO B 29 2.020 -6.155 -9.051 1.00 0.00 C ATOM 1222 CD PRO B 29 3.068 -7.114 -8.558 1.00 0.00 C ATOM 0 HA PRO B 29 4.736 -5.529 -10.835 1.00 0.00 H new ATOM 0 HB2 PRO B 29 2.176 -4.505 -10.405 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.418 -6.072 -11.152 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.768 -5.423 -8.284 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.099 -6.679 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO B 29 3.015 -7.248 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.955 -8.100 -9.008 1.00 0.00 H new ATOM 1230 N ASN B 30 4.681 -3.072 -10.298 1.00 0.00 N ATOM 1231 CA ASN B 30 5.028 -1.711 -9.900 1.00 0.00 C ATOM 1232 C ASN B 30 3.949 -1.111 -9.006 1.00 0.00 C ATOM 1233 O ASN B 30 4.236 -0.292 -8.133 1.00 0.00 O ATOM 1234 CB ASN B 30 5.231 -0.831 -11.137 1.00 0.00 C ATOM 1235 CG ASN B 30 6.448 -1.240 -11.944 1.00 0.00 C ATOM 1236 OD1 ASN B 30 6.510 -2.348 -12.477 1.00 0.00 O ATOM 1237 ND2 ASN B 30 7.423 -0.343 -12.039 1.00 0.00 N ATOM 0 H ASN B 30 4.625 -3.215 -11.306 1.00 0.00 H new ATOM 0 HA ASN B 30 5.959 -1.752 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN B 30 4.344 -0.886 -11.768 1.00 0.00 H new ATOM 0 HB3 ASN B 30 5.337 0.209 -10.827 1.00 0.00 H new ATOM 0 HD21 ASN B 30 8.266 -0.560 -12.570 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.329 0.563 -11.581 1.00 0.00 H new ATOM 1244 N LEU B 31 2.705 -1.526 -9.228 1.00 0.00 N ATOM 1245 CA LEU B 31 1.583 -1.032 -8.441 1.00 0.00 C ATOM 1246 C LEU B 31 1.763 -1.377 -6.967 1.00 0.00 C ATOM 1247 O LEU B 31 1.870 -0.489 -6.121 1.00 0.00 O ATOM 1248 CB LEU B 31 0.272 -1.623 -8.962 1.00 0.00 C ATOM 1249 CG LEU B 31 -0.998 -1.075 -8.303 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.021 0.446 -8.370 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.243 -1.668 -8.960 1.00 0.00 C ATOM 0 H LEU B 31 2.450 -2.203 -9.947 1.00 0.00 H new ATOM 0 HA LEU B 31 1.548 0.053 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU B 31 0.212 -1.443 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU B 31 0.298 -2.704 -8.821 1.00 0.00 H new ATOM 0 HG LEU B 31 -0.997 -1.369 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -1.930 0.817 -7.897 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -0.151 0.846 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -0.998 0.765 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.135 -1.267 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.254 -1.408 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.229 -2.753 -8.853 1.00 0.00 H new ATOM 1263 N VAL B 32 1.800 -2.671 -6.666 1.00 0.00 N ATOM 1264 CA VAL B 32 1.972 -3.132 -5.291 1.00 0.00 C ATOM 1265 C VAL B 32 3.266 -2.585 -4.692 1.00 0.00 C ATOM 1266 O VAL B 32 3.298 -2.159 -3.539 1.00 0.00 O ATOM 1267 CB VAL B 32 1.984 -4.671 -5.202 1.00 0.00 C ATOM 1268 CG1 VAL B 32 2.008 -5.125 -3.747 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.785 -5.262 -5.933 1.00 0.00 C ATOM 0 H VAL B 32 1.713 -3.419 -7.354 1.00 0.00 H new ATOM 0 HA VAL B 32 1.120 -2.757 -4.723 1.00 0.00 H new ATOM 0 HB VAL B 32 2.890 -5.035 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL B 32 2.016 -6.214 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.902 -4.737 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL B 32 1.123 -4.749 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.813 -6.349 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.135 -4.890 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.819 -4.970 -6.983 1.00 0.00 H new ATOM 1279 N ALA B 33 4.331 -2.599 -5.488 1.00 0.00 N ATOM 1280 CA ALA B 33 5.624 -2.102 -5.038 1.00 0.00 C ATOM 1281 C ALA B 33 5.560 -0.610 -4.733 1.00 0.00 C ATOM 1282 O ALA B 33 6.166 -0.139 -3.771 1.00 0.00 O ATOM 1283 CB ALA B 33 6.693 -2.381 -6.081 1.00 0.00 C ATOM 0 H ALA B 33 4.323 -2.949 -6.446 1.00 0.00 H new ATOM 0 HA ALA B 33 5.885 -2.627 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.653 -2.003 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.766 -3.456 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.429 -1.885 -7.015 1.00 0.00 H new ATOM 1289 N ARG B 34 4.820 0.130 -5.555 1.00 0.00 N ATOM 1290 CA ARG B 34 4.677 1.571 -5.363 1.00 0.00 C ATOM 1291 C ARG B 34 4.083 1.869 -3.989 1.00 0.00 C ATOM 1292 O ARG B 34 4.473 2.832 -3.328 1.00 0.00 O ATOM 1293 CB ARG B 34 3.800 2.173 -6.465 1.00 0.00 C ATOM 1294 CG ARG B 34 4.594 2.807 -7.597 1.00 0.00 C ATOM 1295 CD ARG B 34 3.849 3.979 -8.217 1.00 0.00 C ATOM 1296 NE ARG B 34 4.671 4.694 -9.193 1.00 0.00 N ATOM 1297 CZ ARG B 34 4.257 5.760 -9.882 1.00 0.00 C ATOM 1298 NH1 ARG B 34 3.032 6.243 -9.708 1.00 0.00 N ATOM 1299 NH2 ARG B 34 5.074 6.343 -10.750 1.00 0.00 N ATOM 0 H ARG B 34 4.312 -0.242 -6.357 1.00 0.00 H new ATOM 0 HA ARG B 34 5.666 2.027 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG B 34 3.159 1.392 -6.875 1.00 0.00 H new ATOM 0 HB3 ARG B 34 3.145 2.925 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG B 34 5.558 3.147 -7.219 1.00 0.00 H new ATOM 0 HG3 ARG B 34 4.797 2.059 -8.363 1.00 0.00 H new ATOM 0 HD2 ARG B 34 2.942 3.617 -8.702 1.00 0.00 H new ATOM 0 HD3 ARG B 34 3.537 4.667 -7.431 1.00 0.00 H new ATOM 0 HE ARG B 34 5.620 4.357 -9.357 1.00 0.00 H new ATOM 0 HH11 ARG B 34 2.398 5.799 -9.043 1.00 0.00 H new ATOM 0 HH12 ARG B 34 2.725 7.058 -10.239 1.00 0.00 H new ATOM 0 HH21 ARG B 34 6.016 5.977 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG B 34 4.760 7.158 -11.278 1.00 0.00 H new ATOM 1313 N GLN B 35 3.153 1.025 -3.562 1.00 0.00 N ATOM 1314 CA GLN B 35 2.517 1.182 -2.261 1.00 0.00 C ATOM 1315 C GLN B 35 3.545 1.028 -1.141 1.00 0.00 C ATOM 1316 O GLN B 35 3.383 1.590 -0.058 1.00 0.00 O ATOM 1317 CB GLN B 35 1.397 0.154 -2.087 1.00 0.00 C ATOM 1318 CG GLN B 35 0.298 0.269 -3.129 1.00 0.00 C ATOM 1319 CD GLN B 35 -0.788 1.246 -2.728 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.008 2.256 -3.396 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -1.474 0.950 -1.629 1.00 0.00 N ATOM 0 H GLN B 35 2.822 0.223 -4.099 1.00 0.00 H new ATOM 0 HA GLN B 35 2.088 2.183 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.825 -0.848 -2.131 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.959 0.270 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN B 35 0.733 0.585 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.145 -0.713 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.258 0.102 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -2.217 1.571 -1.309 1.00 0.00 H new ATOM 1330 N ILE B 36 4.605 0.271 -1.415 1.00 0.00 N ATOM 1331 CA ILE B 36 5.662 0.053 -0.433 1.00 0.00 C ATOM 1332 C ILE B 36 6.407 1.352 -0.153 1.00 0.00 C ATOM 1333 O ILE B 36 6.460 1.818 0.985 1.00 0.00 O ATOM 1334 CB ILE B 36 6.668 -1.016 -0.911 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.932 -2.290 -1.334 1.00 0.00 C ATOM 1336 CG2 ILE B 36 7.684 -1.323 0.184 1.00 0.00 C ATOM 1337 CD1 ILE B 36 5.232 -2.997 -0.192 1.00 0.00 C ATOM 0 H ILE B 36 4.754 -0.200 -2.307 1.00 0.00 H new ATOM 0 HA ILE B 36 5.186 -0.301 0.481 1.00 0.00 H new ATOM 0 HB ILE B 36 7.204 -0.624 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE B 36 5.197 -2.037 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE B 36 6.645 -2.976 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE B 36 8.385 -2.079 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.229 -0.414 0.440 1.00 0.00 H new ATOM 0 HG23 ILE B 36 7.165 -1.696 1.067 1.00 0.00 H new ATOM 0 HD11 ILE B 36 4.733 -3.890 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE B 36 5.964 -3.282 0.563 1.00 0.00 H new ATOM 0 HD13 ILE B 36 4.494 -2.329 0.252 1.00 0.00 H new ATOM 1349 N VAL B 37 6.974 1.936 -1.204 1.00 0.00 N ATOM 1350 CA VAL B 37 7.712 3.187 -1.077 1.00 0.00 C ATOM 1351 C VAL B 37 6.800 4.296 -0.561 1.00 0.00 C ATOM 1352 O VAL B 37 7.207 5.118 0.257 1.00 0.00 O ATOM 1353 CB VAL B 37 8.324 3.618 -2.426 1.00 0.00 C ATOM 1354 CG1 VAL B 37 9.197 4.850 -2.250 1.00 0.00 C ATOM 1355 CG2 VAL B 37 9.118 2.475 -3.037 1.00 0.00 C ATOM 0 H VAL B 37 6.936 1.563 -2.153 1.00 0.00 H new ATOM 0 HA VAL B 37 8.520 3.018 -0.365 1.00 0.00 H new ATOM 0 HB VAL B 37 7.513 3.874 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.619 5.137 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.595 5.670 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL B 37 10.004 4.627 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.543 2.795 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.921 2.187 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.460 1.622 -3.203 1.00 0.00 H new ATOM 1365 N ASN B 38 5.560 4.304 -1.043 1.00 0.00 N ATOM 1366 CA ASN B 38 4.584 5.306 -0.626 1.00 0.00 C ATOM 1367 C ASN B 38 4.358 5.236 0.880 1.00 0.00 C ATOM 1368 O ASN B 38 4.135 6.255 1.534 1.00 0.00 O ATOM 1369 CB ASN B 38 3.262 5.102 -1.370 1.00 0.00 C ATOM 1370 CG ASN B 38 3.148 5.992 -2.592 1.00 0.00 C ATOM 1371 OD1 ASN B 38 2.611 7.097 -2.520 1.00 0.00 O ATOM 1372 ND2 ASN B 38 3.652 5.513 -3.722 1.00 0.00 N ATOM 0 H ASN B 38 5.208 3.629 -1.722 1.00 0.00 H new ATOM 0 HA ASN B 38 4.975 6.293 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN B 38 3.175 4.059 -1.673 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.432 5.308 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN B 38 3.603 6.067 -4.577 1.00 0.00 H new ATOM 0 HD22 ASN B 38 4.088 4.591 -3.735 1.00 0.00 H new ATOM 1379 N SER B 39 4.428 4.026 1.424 1.00 0.00 N ATOM 1380 CA SER B 39 4.241 3.822 2.855 1.00 0.00 C ATOM 1381 C SER B 39 5.379 4.470 3.637 1.00 0.00 C ATOM 1382 O SER B 39 5.194 4.907 4.773 1.00 0.00 O ATOM 1383 CB SER B 39 4.169 2.329 3.175 1.00 0.00 C ATOM 1384 OG SER B 39 3.390 2.093 4.335 1.00 0.00 O ATOM 0 H SER B 39 4.613 3.173 0.896 1.00 0.00 H new ATOM 0 HA SER B 39 3.302 4.290 3.150 1.00 0.00 H new ATOM 0 HB2 SER B 39 3.739 1.793 2.329 1.00 0.00 H new ATOM 0 HB3 SER B 39 5.175 1.937 3.323 1.00 0.00 H new ATOM 0 HG SER B 39 3.358 1.131 4.517 1.00 0.00 H new ATOM 1390 N CYS B 40 6.558 4.531 3.020 1.00 0.00 N ATOM 1391 CA CYS B 40 7.725 5.129 3.658 1.00 0.00 C ATOM 1392 C CYS B 40 7.589 6.646 3.716 1.00 0.00 C ATOM 1393 O CYS B 40 7.368 7.299 2.695 1.00 0.00 O ATOM 1394 CB CYS B 40 8.998 4.749 2.903 1.00 0.00 C ATOM 1395 SG CYS B 40 10.518 5.321 3.698 1.00 0.00 S ATOM 0 H CYS B 40 6.728 4.173 2.080 1.00 0.00 H new ATOM 0 HA CYS B 40 7.789 4.745 4.676 1.00 0.00 H new ATOM 0 HB2 CYS B 40 9.039 3.665 2.801 1.00 0.00 H new ATOM 0 HB3 CYS B 40 8.949 5.162 1.896 1.00 0.00 H new ATOM 0 HG CYS B 40 11.373 5.686 2.789 1.00 0.00 H new ATOM 1400 N ALA B 41 7.720 7.205 4.914 1.00 0.00 N ATOM 1401 CA ALA B 41 7.609 8.645 5.103 1.00 0.00 C ATOM 1402 C ALA B 41 8.904 9.361 4.725 1.00 0.00 C ATOM 1403 O ALA B 41 8.875 10.453 4.155 1.00 0.00 O ATOM 1404 CB ALA B 41 7.232 8.957 6.543 1.00 0.00 C ATOM 0 H ALA B 41 7.903 6.681 5.770 1.00 0.00 H new ATOM 0 HA ALA B 41 6.824 9.010 4.441 1.00 0.00 H new ATOM 0 HB1 ALA B 41 7.152 10.036 6.672 1.00 0.00 H new ATOM 0 HB2 ALA B 41 6.275 8.491 6.778 1.00 0.00 H new ATOM 0 HB3 ALA B 41 7.999 8.567 7.212 1.00 0.00 H new ATOM 1410 N GLN B 42 10.036 8.744 5.049 1.00 0.00 N ATOM 1411 CA GLN B 42 11.340 9.329 4.746 1.00 0.00 C ATOM 1412 C GLN B 42 11.574 9.420 3.239 1.00 0.00 C ATOM 1413 O GLN B 42 12.315 10.284 2.772 1.00 0.00 O ATOM 1414 CB GLN B 42 12.455 8.504 5.394 1.00 0.00 C ATOM 1415 CG GLN B 42 12.386 8.473 6.912 1.00 0.00 C ATOM 1416 CD GLN B 42 13.436 7.567 7.524 1.00 0.00 C ATOM 1417 OE1 GLN B 42 14.577 7.979 7.743 1.00 0.00 O ATOM 1418 NE2 GLN B 42 13.058 6.325 7.801 1.00 0.00 N ATOM 0 H GLN B 42 10.078 7.841 5.521 1.00 0.00 H new ATOM 0 HA GLN B 42 11.353 10.339 5.155 1.00 0.00 H new ATOM 0 HB2 GLN B 42 12.407 7.483 5.016 1.00 0.00 H new ATOM 0 HB3 GLN B 42 13.420 8.911 5.091 1.00 0.00 H new ATOM 0 HG2 GLN B 42 12.514 9.484 7.299 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.396 8.136 7.220 1.00 0.00 H new ATOM 0 HE21 GLN B 42 12.103 6.026 7.603 1.00 0.00 H new ATOM 0 HE22 GLN B 42 13.723 5.669 8.212 1.00 0.00 H new ATOM 1427 N CYS B 43 10.942 8.526 2.486 1.00 0.00 N ATOM 1428 CA CYS B 43 11.090 8.512 1.036 1.00 0.00 C ATOM 1429 C CYS B 43 10.025 9.371 0.366 1.00 0.00 C ATOM 1430 O CYS B 43 10.255 9.941 -0.702 1.00 0.00 O ATOM 1431 CB CYS B 43 11.023 7.077 0.505 1.00 0.00 C ATOM 1432 SG CYS B 43 12.577 6.163 0.660 1.00 0.00 S ATOM 0 H CYS B 43 10.324 7.803 2.855 1.00 0.00 H new ATOM 0 HA CYS B 43 12.066 8.932 0.795 1.00 0.00 H new ATOM 0 HB2 CYS B 43 10.241 6.538 1.041 1.00 0.00 H new ATOM 0 HB3 CYS B 43 10.731 7.102 -0.545 1.00 0.00 H new ATOM 0 HG CYS B 43 12.330 4.952 1.063 1.00 0.00 H new ATOM 1437 N GLN B 44 8.859 9.469 0.998 1.00 0.00 N ATOM 1438 CA GLN B 44 7.765 10.266 0.460 1.00 0.00 C ATOM 1439 C GLN B 44 8.171 11.736 0.352 1.00 0.00 C ATOM 1440 O GLN B 44 8.011 12.361 -0.696 1.00 0.00 O ATOM 1441 CB GLN B 44 6.518 10.125 1.340 1.00 0.00 C ATOM 1442 CG GLN B 44 5.502 9.135 0.797 1.00 0.00 C ATOM 1443 CD GLN B 44 4.265 9.034 1.669 1.00 0.00 C ATOM 1444 OE1 GLN B 44 3.179 9.455 1.274 1.00 0.00 O ATOM 1445 NE2 GLN B 44 4.426 8.474 2.861 1.00 0.00 N ATOM 0 H GLN B 44 8.649 9.006 1.882 1.00 0.00 H new ATOM 0 HA GLN B 44 7.533 9.897 -0.539 1.00 0.00 H new ATOM 0 HB2 GLN B 44 6.821 9.811 2.339 1.00 0.00 H new ATOM 0 HB3 GLN B 44 6.043 11.101 1.443 1.00 0.00 H new ATOM 0 HG2 GLN B 44 5.210 9.435 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN B 44 5.966 8.152 0.715 1.00 0.00 H new ATOM 0 HE21 GLN B 44 5.346 8.139 3.147 1.00 0.00 H new ATOM 0 HE22 GLN B 44 3.630 8.379 3.491 1.00 0.00 H new