USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 786 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 13 GLN : amide:sc= 0.829 K(o=2,f=-3.1) USER MOD Set 1.2: B 16 LYS NZ :NH3+ 178:sc= 1.13 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 170:sc= -0.0356 (180deg=-0.202) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -108:sc= -4.43! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00945) USER MOD Single : A 40 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-7.7!) USER MOD Single : A 46 THR OG1 : rot 81:sc= 0.0852 USER MOD Single : A 48 ASN : amide:sc= 0.914 K(o=0.91,f=-0.36) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : B 15 MET CE :methyl 179:sc= -0.494 (180deg=-0.51) USER MOD Single : B 18 TYR OH : rot 30:sc= -1.34 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-8.3!) USER MOD Single : B 46 THR OG1 : rot 76:sc= 1 USER MOD Single : B 48 ASN : amide:sc= 0.924 K(o=0.92,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 -2.584 -16.156 -4.483 1.00 0.00 N ATOM 33 CA TYR A 3 -3.723 -15.264 -4.706 1.00 0.00 C ATOM 34 C TYR A 3 -3.390 -13.894 -4.058 1.00 0.00 C ATOM 35 O TYR A 3 -2.221 -13.517 -3.942 1.00 0.00 O ATOM 36 CB TYR A 3 -5.021 -15.928 -4.170 1.00 0.00 C ATOM 37 CG TYR A 3 -6.160 -16.066 -5.164 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.705 -14.927 -5.787 1.00 0.00 C ATOM 39 CD2 TYR A 3 -6.730 -17.334 -5.404 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.837 -15.054 -6.611 1.00 0.00 C ATOM 41 CE2 TYR A 3 -7.855 -17.463 -6.242 1.00 0.00 C ATOM 42 CZ TYR A 3 -8.421 -16.317 -6.839 1.00 0.00 C ATOM 43 OH TYR A 3 -9.532 -16.418 -7.618 1.00 0.00 O ATOM 0 HA TYR A 3 -3.905 -15.086 -5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.770 -16.921 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.377 -15.348 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.254 -13.958 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.301 -18.211 -4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.263 -14.176 -7.074 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.283 -18.437 -6.427 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.807 -17.357 -7.675 1.00 0.00 H new ATOM 53 N LEU A 4 -4.410 -13.165 -3.599 1.00 0.00 N ATOM 54 CA LEU A 4 -4.395 -11.838 -2.982 1.00 0.00 C ATOM 55 C LEU A 4 -3.370 -11.641 -1.861 1.00 0.00 C ATOM 56 O LEU A 4 -2.906 -10.518 -1.664 1.00 0.00 O ATOM 57 CB LEU A 4 -5.806 -11.545 -2.461 1.00 0.00 C ATOM 58 CG LEU A 4 -6.953 -11.742 -3.467 1.00 0.00 C ATOM 59 CD1 LEU A 4 -8.273 -11.383 -2.807 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.795 -10.902 -4.737 1.00 0.00 C ATOM 0 H LEU A 4 -5.362 -13.527 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.083 -11.138 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.993 -12.184 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.834 -10.515 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.930 -12.790 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.086 -11.522 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.434 -12.026 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.247 -10.342 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.637 -11.088 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.768 -9.845 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.867 -11.174 -5.240 1.00 0.00 H new ATOM 72 N ARG A 5 -2.979 -12.708 -1.153 1.00 0.00 N ATOM 73 CA ARG A 5 -1.940 -12.646 -0.115 1.00 0.00 C ATOM 74 C ARG A 5 -0.616 -12.102 -0.648 1.00 0.00 C ATOM 75 O ARG A 5 -0.031 -11.233 -0.014 1.00 0.00 O ATOM 76 CB ARG A 5 -1.749 -14.028 0.535 1.00 0.00 C ATOM 77 CG ARG A 5 -1.045 -13.915 1.900 1.00 0.00 C ATOM 78 CD ARG A 5 -0.463 -15.253 2.375 1.00 0.00 C ATOM 79 NE ARG A 5 0.788 -15.585 1.659 1.00 0.00 N ATOM 80 CZ ARG A 5 1.547 -16.651 1.848 1.00 0.00 C ATOM 81 NH1 ARG A 5 1.229 -17.591 2.691 1.00 0.00 N ATOM 82 NH2 ARG A 5 2.662 -16.789 1.187 1.00 0.00 N ATOM 0 H ARG A 5 -3.374 -13.640 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.282 -11.944 0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.719 -14.509 0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.162 -14.665 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.245 -13.178 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.754 -13.548 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.269 -15.206 3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.195 -16.045 2.218 1.00 0.00 H new ATOM 0 HE ARG A 5 1.097 -14.924 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.368 -17.520 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.841 -18.399 2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.952 -16.073 0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.245 -17.613 1.336 1.00 0.00 H new ATOM 96 N GLU A 6 -0.145 -12.544 -1.815 1.00 0.00 N ATOM 97 CA GLU A 6 1.096 -12.031 -2.382 1.00 0.00 C ATOM 98 C GLU A 6 0.988 -10.547 -2.765 1.00 0.00 C ATOM 99 O GLU A 6 1.937 -9.798 -2.551 1.00 0.00 O ATOM 100 CB GLU A 6 1.516 -12.904 -3.574 1.00 0.00 C ATOM 101 CG GLU A 6 2.712 -13.805 -3.224 1.00 0.00 C ATOM 102 CD GLU A 6 3.824 -13.760 -4.291 1.00 0.00 C ATOM 103 OE1 GLU A 6 4.600 -12.775 -4.321 1.00 0.00 O ATOM 104 OE2 GLU A 6 3.948 -14.726 -5.082 1.00 0.00 O ATOM 0 H GLU A 6 -0.606 -13.255 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 6 1.873 -12.086 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.674 -13.522 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.776 -12.266 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.124 -13.498 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.366 -14.832 -3.109 1.00 0.00 H new ATOM 111 N LEU A 7 -0.179 -10.090 -3.237 1.00 0.00 N ATOM 112 CA LEU A 7 -0.435 -8.663 -3.476 1.00 0.00 C ATOM 113 C LEU A 7 -0.411 -7.852 -2.182 1.00 0.00 C ATOM 114 O LEU A 7 0.231 -6.809 -2.118 1.00 0.00 O ATOM 115 CB LEU A 7 -1.770 -8.466 -4.197 1.00 0.00 C ATOM 116 CG LEU A 7 -1.759 -9.079 -5.602 1.00 0.00 C ATOM 117 CD1 LEU A 7 -2.641 -10.320 -5.708 1.00 0.00 C ATOM 118 CD2 LEU A 7 -2.281 -8.075 -6.618 1.00 0.00 C ATOM 0 H LEU A 7 -0.969 -10.695 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 7 0.371 -8.295 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.569 -8.919 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.990 -7.401 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.723 -9.354 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.596 -10.713 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.287 -11.078 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.671 -10.056 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.268 -8.523 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.302 -7.794 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.648 -7.188 -6.611 1.00 0.00 H new ATOM 130 N TYR A 8 -1.050 -8.364 -1.132 1.00 0.00 N ATOM 131 CA TYR A 8 -1.003 -7.788 0.220 1.00 0.00 C ATOM 132 C TYR A 8 0.435 -7.572 0.698 1.00 0.00 C ATOM 133 O TYR A 8 0.827 -6.463 1.065 1.00 0.00 O ATOM 134 CB TYR A 8 -1.744 -8.723 1.184 1.00 0.00 C ATOM 135 CG TYR A 8 -2.327 -8.060 2.415 1.00 0.00 C ATOM 136 CD1 TYR A 8 -3.532 -7.339 2.315 1.00 0.00 C ATOM 137 CD2 TYR A 8 -1.691 -8.202 3.664 1.00 0.00 C ATOM 138 CE1 TYR A 8 -4.102 -6.764 3.466 1.00 0.00 C ATOM 139 CE2 TYR A 8 -2.262 -7.627 4.817 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.472 -6.906 4.720 1.00 0.00 C ATOM 141 OH TYR A 8 -4.039 -6.351 5.826 1.00 0.00 O ATOM 0 H TYR A 8 -1.625 -9.204 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.485 -6.811 0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.551 -9.213 0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.056 -9.505 1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.018 -7.227 1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.765 -8.752 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.027 -6.211 3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.774 -7.738 5.774 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.482 -6.540 6.609 1.00 0.00 H new ATOM 151 N LYS A 9 1.243 -8.633 0.596 1.00 0.00 N ATOM 152 CA LYS A 9 2.684 -8.651 0.921 1.00 0.00 C ATOM 153 C LYS A 9 3.585 -7.818 -0.013 1.00 0.00 C ATOM 154 O LYS A 9 4.790 -7.740 0.226 1.00 0.00 O ATOM 155 CB LYS A 9 3.181 -10.106 1.046 1.00 0.00 C ATOM 156 CG LYS A 9 2.475 -10.946 2.132 1.00 0.00 C ATOM 157 CD LYS A 9 2.548 -10.401 3.563 1.00 0.00 C ATOM 158 CE LYS A 9 3.984 -10.414 4.106 1.00 0.00 C ATOM 159 NZ LYS A 9 4.032 -10.035 5.543 1.00 0.00 N ATOM 0 H LYS A 9 0.904 -9.539 0.273 1.00 0.00 H new ATOM 0 HA LYS A 9 2.773 -8.146 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.052 -10.602 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.250 -10.092 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.425 -11.048 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.905 -11.947 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.161 -9.382 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.908 -10.999 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.413 -11.408 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.598 -9.724 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.018 -10.055 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.646 -9.077 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.466 -10.708 6.099 1.00 0.00 H new ATOM 173 N LEU A 10 3.013 -7.138 -1.007 1.00 0.00 N ATOM 174 CA LEU A 10 3.673 -6.116 -1.835 1.00 0.00 C ATOM 175 C LEU A 10 3.108 -4.712 -1.565 1.00 0.00 C ATOM 176 O LEU A 10 3.875 -3.756 -1.457 1.00 0.00 O ATOM 177 CB LEU A 10 3.516 -6.484 -3.325 1.00 0.00 C ATOM 178 CG LEU A 10 4.207 -7.793 -3.763 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.669 -8.217 -5.128 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.720 -7.650 -3.879 1.00 0.00 C ATOM 0 H LEU A 10 2.039 -7.286 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 10 4.731 -6.093 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.453 -6.561 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.912 -5.666 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 10 3.991 -8.536 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.155 -9.141 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.593 -8.378 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.874 -7.435 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.153 -8.601 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.958 -6.884 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.133 -7.362 -2.912 1.00 0.00 H new ATOM 192 N GLU A 11 1.791 -4.573 -1.391 1.00 0.00 N ATOM 193 CA GLU A 11 1.117 -3.288 -1.158 1.00 0.00 C ATOM 194 C GLU A 11 1.428 -2.715 0.236 1.00 0.00 C ATOM 195 O GLU A 11 1.768 -1.537 0.349 1.00 0.00 O ATOM 196 CB GLU A 11 -0.400 -3.476 -1.340 1.00 0.00 C ATOM 197 CG GLU A 11 -0.834 -3.725 -2.797 1.00 0.00 C ATOM 198 CD GLU A 11 -1.339 -2.451 -3.481 1.00 0.00 C ATOM 199 OE1 GLU A 11 -2.509 -2.022 -3.490 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.648 -1.649 -4.131 1.00 0.00 O ATOM 0 H GLU A 11 1.148 -5.365 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 11 1.492 -2.567 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.727 -4.315 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.912 -2.589 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.008 -4.127 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.620 -4.480 -2.815 1.00 0.00 H new ATOM 207 N GLN A 12 1.394 -3.532 1.298 1.00 0.00 N ATOM 208 CA GLN A 12 1.803 -3.116 2.646 1.00 0.00 C ATOM 209 C GLN A 12 3.319 -2.860 2.744 1.00 0.00 C ATOM 210 O GLN A 12 3.760 -1.976 3.480 1.00 0.00 O ATOM 211 CB GLN A 12 1.341 -4.175 3.661 1.00 0.00 C ATOM 212 CG GLN A 12 0.217 -3.656 4.563 1.00 0.00 C ATOM 213 CD GLN A 12 0.705 -2.710 5.660 1.00 0.00 C ATOM 214 OE1 GLN A 12 0.930 -1.526 5.451 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.875 -3.187 6.876 1.00 0.00 N ATOM 0 H GLN A 12 1.081 -4.502 1.246 1.00 0.00 H new ATOM 0 HA GLN A 12 1.324 -2.164 2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.998 -5.062 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.187 -4.481 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.521 -3.139 3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.289 -4.504 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.692 -4.172 7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.190 -2.571 7.626 1.00 0.00 H new ATOM 224 N GLN A 13 4.121 -3.586 1.958 1.00 0.00 N ATOM 225 CA GLN A 13 5.556 -3.327 1.796 1.00 0.00 C ATOM 226 C GLN A 13 5.814 -1.947 1.165 1.00 0.00 C ATOM 227 O GLN A 13 6.622 -1.173 1.678 1.00 0.00 O ATOM 228 CB GLN A 13 6.203 -4.467 1.005 1.00 0.00 C ATOM 229 CG GLN A 13 7.178 -5.311 1.840 1.00 0.00 C ATOM 230 CD GLN A 13 8.484 -4.571 2.137 1.00 0.00 C ATOM 231 OE1 GLN A 13 9.321 -4.359 1.270 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.718 -4.151 3.363 1.00 0.00 N ATOM 0 H GLN A 13 3.788 -4.379 1.410 1.00 0.00 H new ATOM 0 HA GLN A 13 6.024 -3.297 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.421 -5.114 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.735 -4.050 0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.700 -5.590 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.401 -6.236 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.032 -4.318 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.585 -3.658 3.576 1.00 0.00 H new ATOM 241 N ALA A 14 5.077 -1.598 0.103 1.00 0.00 N ATOM 242 CA ALA A 14 5.130 -0.270 -0.512 1.00 0.00 C ATOM 243 C ALA A 14 4.636 0.847 0.433 1.00 0.00 C ATOM 244 O ALA A 14 5.256 1.908 0.503 1.00 0.00 O ATOM 245 CB ALA A 14 4.342 -0.303 -1.828 1.00 0.00 C ATOM 0 H ALA A 14 4.424 -2.234 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 14 6.171 -0.025 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.374 0.681 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.785 -1.039 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.306 -0.575 -1.625 1.00 0.00 H new ATOM 251 N MET A 15 3.575 0.614 1.216 1.00 0.00 N ATOM 252 CA MET A 15 3.044 1.585 2.192 1.00 0.00 C ATOM 253 C MET A 15 4.085 2.066 3.211 1.00 0.00 C ATOM 254 O MET A 15 4.151 3.264 3.494 1.00 0.00 O ATOM 255 CB MET A 15 1.830 0.991 2.927 1.00 0.00 C ATOM 256 CG MET A 15 0.582 0.876 2.042 1.00 0.00 C ATOM 257 SD MET A 15 -0.759 2.030 2.447 1.00 0.00 S ATOM 258 CE MET A 15 0.058 3.624 2.170 1.00 0.00 C ATOM 0 H MET A 15 3.053 -0.262 1.192 1.00 0.00 H new ATOM 0 HA MET A 15 2.745 2.461 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.091 0.003 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.598 1.612 3.792 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.876 1.035 1.004 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.198 -0.142 2.113 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.682 4.423 2.204 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.806 3.789 2.945 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.542 3.620 1.193 1.00 0.00 H new ATOM 268 N LYS A 16 4.943 1.168 3.715 1.00 0.00 N ATOM 269 CA LYS A 16 6.074 1.526 4.588 1.00 0.00 C ATOM 270 C LYS A 16 7.039 2.513 3.924 1.00 0.00 C ATOM 271 O LYS A 16 7.452 3.491 4.544 1.00 0.00 O ATOM 272 CB LYS A 16 6.830 0.258 5.021 1.00 0.00 C ATOM 273 CG LYS A 16 6.453 -0.216 6.435 1.00 0.00 C ATOM 274 CD LYS A 16 5.010 -0.733 6.562 1.00 0.00 C ATOM 275 CE LYS A 16 4.602 -0.976 8.024 1.00 0.00 C ATOM 276 NZ LYS A 16 5.398 -2.051 8.678 1.00 0.00 N ATOM 0 H LYS A 16 4.873 0.168 3.529 1.00 0.00 H new ATOM 0 HA LYS A 16 5.658 2.024 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.624 -0.541 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.902 0.451 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.139 -1.008 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.594 0.610 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.328 -0.012 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.909 -1.661 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.720 -0.050 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.545 -1.240 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.079 -2.170 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.267 -2.944 8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.405 -1.791 8.670 1.00 0.00 H new ATOM 290 N LEU A 17 7.371 2.289 2.655 1.00 0.00 N ATOM 291 CA LEU A 17 8.289 3.126 1.894 1.00 0.00 C ATOM 292 C LEU A 17 7.688 4.495 1.605 1.00 0.00 C ATOM 293 O LEU A 17 8.379 5.508 1.705 1.00 0.00 O ATOM 294 CB LEU A 17 8.624 2.417 0.586 1.00 0.00 C ATOM 295 CG LEU A 17 9.320 1.082 0.830 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.441 0.326 -0.488 1.00 0.00 C ATOM 297 CD2 LEU A 17 10.701 1.235 1.470 1.00 0.00 C ATOM 0 H LEU A 17 7.001 1.505 2.118 1.00 0.00 H new ATOM 0 HA LEU A 17 9.192 3.284 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.709 2.252 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.265 3.056 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 17 8.707 0.523 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.938 -0.629 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.447 0.148 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.025 0.917 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.145 0.250 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.341 1.827 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.602 1.737 2.433 1.00 0.00 H new ATOM 309 N TYR A 18 6.388 4.531 1.305 1.00 0.00 N ATOM 310 CA TYR A 18 5.674 5.773 1.068 1.00 0.00 C ATOM 311 C TYR A 18 5.671 6.707 2.294 1.00 0.00 C ATOM 312 O TYR A 18 5.869 7.909 2.123 1.00 0.00 O ATOM 313 CB TYR A 18 4.260 5.440 0.578 1.00 0.00 C ATOM 314 CG TYR A 18 4.151 4.953 -0.862 1.00 0.00 C ATOM 315 CD1 TYR A 18 4.764 5.674 -1.911 1.00 0.00 C ATOM 316 CD2 TYR A 18 3.399 3.801 -1.168 1.00 0.00 C ATOM 317 CE1 TYR A 18 4.655 5.232 -3.242 1.00 0.00 C ATOM 318 CE2 TYR A 18 3.292 3.350 -2.497 1.00 0.00 C ATOM 319 CZ TYR A 18 3.922 4.064 -3.536 1.00 0.00 C ATOM 320 OH TYR A 18 3.803 3.629 -4.817 1.00 0.00 O ATOM 0 H TYR A 18 5.807 3.697 1.221 1.00 0.00 H new ATOM 0 HA TYR A 18 6.197 6.337 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.840 4.676 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.640 6.329 0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.321 6.572 -1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.901 3.260 -0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.132 5.786 -4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.727 2.457 -2.721 1.00 0.00 H new ATOM 0 HH TYR A 18 2.887 3.780 -5.130 1.00 0.00 H new ATOM 330 N ARG A 19 5.547 6.194 3.532 1.00 0.00 N ATOM 331 CA ARG A 19 5.663 7.019 4.753 1.00 0.00 C ATOM 332 C ARG A 19 7.109 7.383 5.095 1.00 0.00 C ATOM 333 O ARG A 19 7.341 8.463 5.630 1.00 0.00 O ATOM 334 CB ARG A 19 4.924 6.394 5.953 1.00 0.00 C ATOM 335 CG ARG A 19 5.440 5.015 6.393 1.00 0.00 C ATOM 336 CD ARG A 19 4.800 4.530 7.699 1.00 0.00 C ATOM 337 NE ARG A 19 5.362 5.222 8.877 1.00 0.00 N ATOM 338 CZ ARG A 19 5.110 4.951 10.146 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.249 4.040 10.504 1.00 0.00 N ATOM 340 NH2 ARG A 19 5.728 5.597 11.093 1.00 0.00 N ATOM 0 H ARG A 19 5.366 5.207 3.715 1.00 0.00 H new ATOM 0 HA ARG A 19 5.161 7.959 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.995 7.078 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.867 6.306 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.241 4.289 5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.522 5.060 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.723 4.696 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.953 3.456 7.801 1.00 0.00 H new ATOM 0 HE ARG A 19 6.011 5.987 8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.744 3.509 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.081 3.858 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.411 6.317 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.529 5.383 12.070 1.00 0.00 H new ATOM 354 N GLU A 20 8.085 6.546 4.740 1.00 0.00 N ATOM 355 CA GLU A 20 9.514 6.852 4.923 1.00 0.00 C ATOM 356 C GLU A 20 9.943 8.034 4.045 1.00 0.00 C ATOM 357 O GLU A 20 10.538 9.010 4.505 1.00 0.00 O ATOM 358 CB GLU A 20 10.339 5.609 4.556 1.00 0.00 C ATOM 359 CG GLU A 20 11.710 5.610 5.241 1.00 0.00 C ATOM 360 CD GLU A 20 12.483 4.311 4.948 1.00 0.00 C ATOM 361 OE1 GLU A 20 12.336 3.326 5.714 1.00 0.00 O ATOM 362 OE2 GLU A 20 13.256 4.268 3.960 1.00 0.00 O ATOM 0 H GLU A 20 7.912 5.634 4.317 1.00 0.00 H new ATOM 0 HA GLU A 20 9.685 7.126 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.791 4.712 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.473 5.569 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.290 6.466 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.581 5.724 6.317 1.00 0.00 H new ATOM 369 N ALA A 21 9.567 7.960 2.771 1.00 0.00 N ATOM 370 CA ALA A 21 9.742 9.038 1.801 1.00 0.00 C ATOM 371 C ALA A 21 8.897 10.290 2.127 1.00 0.00 C ATOM 372 O ALA A 21 9.332 11.413 1.865 1.00 0.00 O ATOM 373 CB ALA A 21 9.437 8.479 0.411 1.00 0.00 C ATOM 0 H ALA A 21 9.123 7.131 2.376 1.00 0.00 H new ATOM 0 HA ALA A 21 10.774 9.387 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.561 9.266 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.121 7.660 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.411 8.112 0.384 1.00 0.00 H new ATOM 379 N SER A 22 7.723 10.135 2.753 1.00 0.00 N ATOM 380 CA SER A 22 6.936 11.265 3.275 1.00 0.00 C ATOM 381 C SER A 22 7.655 12.002 4.408 1.00 0.00 C ATOM 382 O SER A 22 7.774 13.227 4.395 1.00 0.00 O ATOM 383 CB SER A 22 5.576 10.790 3.789 1.00 0.00 C ATOM 384 OG SER A 22 4.669 11.878 3.834 1.00 0.00 O ATOM 0 H SER A 22 7.291 9.225 2.913 1.00 0.00 H new ATOM 0 HA SER A 22 6.803 11.954 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.186 10.007 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.685 10.355 4.783 1.00 0.00 H new ATOM 0 HG SER A 22 3.800 11.566 4.162 1.00 0.00 H new ATOM 390 N GLU A 23 8.198 11.245 5.364 1.00 0.00 N ATOM 391 CA GLU A 23 9.017 11.768 6.471 1.00 0.00 C ATOM 392 C GLU A 23 10.270 12.512 5.967 1.00 0.00 C ATOM 393 O GLU A 23 10.631 13.553 6.521 1.00 0.00 O ATOM 394 CB GLU A 23 9.375 10.607 7.422 1.00 0.00 C ATOM 395 CG GLU A 23 9.973 11.020 8.780 1.00 0.00 C ATOM 396 CD GLU A 23 11.483 11.354 8.764 1.00 0.00 C ATOM 397 OE1 GLU A 23 12.293 10.573 8.205 1.00 0.00 O ATOM 398 OE2 GLU A 23 11.883 12.372 9.383 1.00 0.00 O ATOM 0 H GLU A 23 8.081 10.232 5.395 1.00 0.00 H new ATOM 0 HA GLU A 23 8.437 12.510 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.475 10.020 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.085 9.953 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.429 11.890 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.804 10.213 9.493 1.00 0.00 H new ATOM 405 N ARG A 24 10.903 12.016 4.892 1.00 0.00 N ATOM 406 CA ARG A 24 12.161 12.563 4.350 1.00 0.00 C ATOM 407 C ARG A 24 11.993 13.686 3.316 1.00 0.00 C ATOM 408 O ARG A 24 12.871 14.545 3.223 1.00 0.00 O ATOM 409 CB ARG A 24 12.993 11.398 3.789 1.00 0.00 C ATOM 410 CG ARG A 24 14.475 11.770 3.601 1.00 0.00 C ATOM 411 CD ARG A 24 15.410 10.547 3.690 1.00 0.00 C ATOM 412 NE ARG A 24 16.215 10.539 4.935 1.00 0.00 N ATOM 413 CZ ARG A 24 15.803 10.340 6.178 1.00 0.00 C ATOM 414 NH1 ARG A 24 14.571 10.031 6.459 1.00 0.00 N ATOM 415 NH2 ARG A 24 16.634 10.455 7.173 1.00 0.00 N ATOM 0 H ARG A 24 10.553 11.214 4.367 1.00 0.00 H new ATOM 0 HA ARG A 24 12.679 13.052 5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.918 10.545 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.576 11.085 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.605 12.252 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.762 12.498 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.816 9.635 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.078 10.541 2.829 1.00 0.00 H new ATOM 0 HE ARG A 24 17.214 10.708 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.886 9.935 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.290 9.885 7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.609 10.700 6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.311 10.301 8.128 1.00 0.00 H new ATOM 429 N VAL A 25 10.893 13.703 2.553 1.00 0.00 N ATOM 430 CA VAL A 25 10.660 14.651 1.438 1.00 0.00 C ATOM 431 C VAL A 25 9.220 15.175 1.413 1.00 0.00 C ATOM 432 O VAL A 25 9.018 16.390 1.369 1.00 0.00 O ATOM 433 CB VAL A 25 11.017 14.018 0.075 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.864 15.020 -1.079 1.00 0.00 C ATOM 435 CG2 VAL A 25 12.456 13.486 0.025 1.00 0.00 C ATOM 0 H VAL A 25 10.122 13.050 2.690 1.00 0.00 H new ATOM 0 HA VAL A 25 11.321 15.500 1.614 1.00 0.00 H new ATOM 0 HB VAL A 25 10.316 13.191 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.125 14.534 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.832 15.368 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.526 15.870 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.650 13.053 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.153 14.305 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.588 12.722 0.791 1.00 0.00 H new ATOM 445 N GLY A 26 8.217 14.291 1.476 1.00 0.00 N ATOM 446 CA GLY A 26 6.799 14.680 1.560 1.00 0.00 C ATOM 447 C GLY A 26 6.263 15.469 0.355 1.00 0.00 C ATOM 448 O GLY A 26 5.441 16.370 0.528 1.00 0.00 O ATOM 0 H GLY A 26 8.364 13.282 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.198 13.778 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.656 15.280 2.459 1.00 0.00 H new ATOM 452 N ASP A 27 6.738 15.160 -0.857 1.00 0.00 N ATOM 453 CA ASP A 27 6.238 15.746 -2.112 1.00 0.00 C ATOM 454 C ASP A 27 4.705 15.556 -2.259 1.00 0.00 C ATOM 455 O ASP A 27 4.192 14.487 -1.902 1.00 0.00 O ATOM 456 CB ASP A 27 7.006 15.106 -3.281 1.00 0.00 C ATOM 457 CG ASP A 27 6.653 15.746 -4.632 1.00 0.00 C ATOM 458 OD1 ASP A 27 5.562 15.448 -5.167 1.00 0.00 O ATOM 459 OD2 ASP A 27 7.462 16.560 -5.140 1.00 0.00 O ATOM 0 H ASP A 27 7.491 14.487 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 27 6.409 16.822 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.077 15.203 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.784 14.040 -3.318 1.00 0.00 H new ATOM 464 N PRO A 28 3.942 16.543 -2.771 1.00 0.00 N ATOM 465 CA PRO A 28 2.480 16.472 -2.794 1.00 0.00 C ATOM 466 C PRO A 28 1.898 15.279 -3.567 1.00 0.00 C ATOM 467 O PRO A 28 0.901 14.715 -3.111 1.00 0.00 O ATOM 468 CB PRO A 28 1.993 17.821 -3.340 1.00 0.00 C ATOM 469 CG PRO A 28 3.218 18.417 -4.028 1.00 0.00 C ATOM 470 CD PRO A 28 4.378 17.861 -3.208 1.00 0.00 C ATOM 0 HA PRO A 28 2.117 16.291 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.168 17.692 -4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.633 18.467 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.281 18.114 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.199 19.507 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.287 17.796 -3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.602 18.504 -2.357 1.00 0.00 H new ATOM 478 N VAL A 29 2.498 14.825 -4.681 1.00 0.00 N ATOM 479 CA VAL A 29 1.980 13.626 -5.378 1.00 0.00 C ATOM 480 C VAL A 29 2.262 12.336 -4.594 1.00 0.00 C ATOM 481 O VAL A 29 1.470 11.400 -4.644 1.00 0.00 O ATOM 482 CB VAL A 29 2.420 13.548 -6.856 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.825 12.988 -7.096 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.439 12.695 -7.666 1.00 0.00 C ATOM 0 H VAL A 29 3.318 15.252 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 29 0.896 13.733 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 29 2.430 14.589 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.034 12.976 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.558 13.616 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.884 11.973 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.766 12.652 -8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.407 11.687 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.445 13.139 -7.617 1.00 0.00 H new ATOM 494 N LEU A 30 3.321 12.299 -3.781 1.00 0.00 N ATOM 495 CA LEU A 30 3.611 11.212 -2.841 1.00 0.00 C ATOM 496 C LEU A 30 2.512 11.093 -1.764 1.00 0.00 C ATOM 497 O LEU A 30 2.008 10.000 -1.497 1.00 0.00 O ATOM 498 CB LEU A 30 5.005 11.483 -2.239 1.00 0.00 C ATOM 499 CG LEU A 30 5.842 10.224 -2.000 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.268 10.629 -1.633 1.00 0.00 C ATOM 501 CD2 LEU A 30 5.290 9.344 -0.880 1.00 0.00 C ATOM 0 H LEU A 30 4.018 13.043 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 30 3.618 10.250 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.553 12.149 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.883 12.010 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 30 5.813 9.646 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.868 9.735 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.703 11.207 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.252 11.234 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.926 8.467 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.271 9.910 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.279 9.026 -1.132 1.00 0.00 H new ATOM 513 N ALA A 31 2.072 12.228 -1.209 1.00 0.00 N ATOM 514 CA ALA A 31 0.939 12.288 -0.284 1.00 0.00 C ATOM 515 C ALA A 31 -0.394 11.868 -0.943 1.00 0.00 C ATOM 516 O ALA A 31 -1.191 11.157 -0.326 1.00 0.00 O ATOM 517 CB ALA A 31 0.861 13.702 0.305 1.00 0.00 C ATOM 0 H ALA A 31 2.497 13.137 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 31 1.104 11.566 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.021 13.762 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.786 13.926 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.721 14.424 -0.499 1.00 0.00 H new ATOM 523 N LYS A 32 -0.624 12.239 -2.213 1.00 0.00 N ATOM 524 CA LYS A 32 -1.768 11.749 -3.011 1.00 0.00 C ATOM 525 C LYS A 32 -1.717 10.243 -3.257 1.00 0.00 C ATOM 526 O LYS A 32 -2.763 9.595 -3.268 1.00 0.00 O ATOM 527 CB LYS A 32 -1.841 12.470 -4.367 1.00 0.00 C ATOM 528 CG LYS A 32 -2.203 13.954 -4.253 1.00 0.00 C ATOM 529 CD LYS A 32 -3.699 14.175 -3.981 1.00 0.00 C ATOM 530 CE LYS A 32 -4.014 15.675 -3.934 1.00 0.00 C ATOM 531 NZ LYS A 32 -5.466 15.921 -3.729 1.00 0.00 N ATOM 0 H LYS A 32 -0.022 12.889 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.658 11.967 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.879 12.377 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.579 11.972 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.620 14.406 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.925 14.464 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.292 13.696 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.977 13.708 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.448 16.142 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.692 16.145 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.644 16.945 -3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.004 15.496 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.767 15.494 -2.830 1.00 0.00 H new ATOM 545 N ILE A 33 -0.520 9.679 -3.435 1.00 0.00 N ATOM 546 CA ILE A 33 -0.368 8.246 -3.699 1.00 0.00 C ATOM 547 C ILE A 33 -0.827 7.413 -2.505 1.00 0.00 C ATOM 548 O ILE A 33 -1.699 6.557 -2.656 1.00 0.00 O ATOM 549 CB ILE A 33 1.053 7.881 -4.173 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.181 8.321 -5.644 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.333 6.369 -4.077 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.633 8.446 -6.097 1.00 0.00 C ATOM 0 H ILE A 33 0.360 10.194 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.026 7.997 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 33 1.775 8.385 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.667 7.601 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.679 9.279 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.346 6.164 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.230 6.045 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.621 5.827 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.663 8.759 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.144 9.187 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.131 7.482 -5.993 1.00 0.00 H new ATOM 564 N LEU A 34 -0.293 7.684 -1.313 1.00 0.00 N ATOM 565 CA LEU A 34 -0.615 6.896 -0.119 1.00 0.00 C ATOM 566 C LEU A 34 -2.081 7.028 0.343 1.00 0.00 C ATOM 567 O LEU A 34 -2.593 6.123 0.997 1.00 0.00 O ATOM 568 CB LEU A 34 0.444 7.155 0.971 1.00 0.00 C ATOM 569 CG LEU A 34 0.456 8.564 1.595 1.00 0.00 C ATOM 570 CD1 LEU A 34 -0.495 8.680 2.789 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.863 8.904 2.092 1.00 0.00 C ATOM 0 H LEU A 34 0.366 8.445 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.557 5.838 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.296 6.429 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.428 6.962 0.544 1.00 0.00 H new ATOM 0 HG LEU A 34 0.132 9.252 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.450 9.691 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.513 8.464 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.200 7.968 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.862 9.901 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.169 8.176 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.561 8.877 1.255 1.00 0.00 H new ATOM 583 N GLU A 35 -2.789 8.093 -0.049 1.00 0.00 N ATOM 584 CA GLU A 35 -4.221 8.271 0.165 1.00 0.00 C ATOM 585 C GLU A 35 -5.071 7.249 -0.614 1.00 0.00 C ATOM 586 O GLU A 35 -6.020 6.687 -0.063 1.00 0.00 O ATOM 587 CB GLU A 35 -4.557 9.699 -0.273 1.00 0.00 C ATOM 588 CG GLU A 35 -4.514 10.695 0.886 1.00 0.00 C ATOM 589 CD GLU A 35 -5.834 10.709 1.681 1.00 0.00 C ATOM 590 OE1 GLU A 35 -5.975 9.929 2.654 1.00 0.00 O ATOM 591 OE2 GLU A 35 -6.741 11.510 1.344 1.00 0.00 O ATOM 0 H GLU A 35 -2.362 8.879 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.457 8.106 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.854 10.014 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.550 9.713 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.691 10.440 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.313 11.694 0.499 1.00 0.00 H new ATOM 598 N ASP A 36 -4.717 6.958 -1.872 1.00 0.00 N ATOM 599 CA ASP A 36 -5.295 5.857 -2.644 1.00 0.00 C ATOM 600 C ASP A 36 -4.819 4.495 -2.118 1.00 0.00 C ATOM 601 O ASP A 36 -5.598 3.548 -1.989 1.00 0.00 O ATOM 602 CB ASP A 36 -4.842 5.997 -4.105 1.00 0.00 C ATOM 603 CG ASP A 36 -5.573 7.085 -4.909 1.00 0.00 C ATOM 604 OD1 ASP A 36 -6.760 7.385 -4.629 1.00 0.00 O ATOM 605 OD2 ASP A 36 -4.964 7.608 -5.871 1.00 0.00 O ATOM 0 H ASP A 36 -4.013 7.488 -2.386 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.380 5.904 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.773 6.211 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.982 5.039 -4.607 1.00 0.00 H new ATOM 610 N GLU A 37 -3.522 4.401 -1.816 1.00 0.00 N ATOM 611 CA GLU A 37 -2.834 3.157 -1.471 1.00 0.00 C ATOM 612 C GLU A 37 -3.299 2.534 -0.129 1.00 0.00 C ATOM 613 O GLU A 37 -3.130 1.332 0.077 1.00 0.00 O ATOM 614 CB GLU A 37 -1.320 3.416 -1.534 1.00 0.00 C ATOM 615 CG GLU A 37 -0.449 2.210 -1.881 1.00 0.00 C ATOM 616 CD GLU A 37 -0.692 1.649 -3.299 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.621 0.833 -3.529 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.034 1.985 -4.271 1.00 0.00 O ATOM 0 H GLU A 37 -2.904 5.213 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.100 2.392 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.135 4.197 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.998 3.806 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.600 2.493 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.632 1.420 -1.152 1.00 0.00 H new ATOM 625 N GLU A 38 -3.961 3.301 0.751 1.00 0.00 N ATOM 626 CA GLU A 38 -4.667 2.773 1.934 1.00 0.00 C ATOM 627 C GLU A 38 -6.002 2.079 1.595 1.00 0.00 C ATOM 628 O GLU A 38 -6.248 0.964 2.062 1.00 0.00 O ATOM 629 CB GLU A 38 -4.934 3.895 2.954 1.00 0.00 C ATOM 630 CG GLU A 38 -3.697 4.232 3.795 1.00 0.00 C ATOM 631 CD GLU A 38 -4.050 5.226 4.919 1.00 0.00 C ATOM 632 OE1 GLU A 38 -4.476 4.780 6.014 1.00 0.00 O ATOM 633 OE2 GLU A 38 -3.900 6.457 4.729 1.00 0.00 O ATOM 0 H GLU A 38 -4.023 4.315 0.663 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.004 2.020 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.265 4.790 2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.747 3.595 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.286 3.319 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.923 4.659 3.156 1.00 0.00 H new ATOM 640 N LYS A 39 -6.869 2.678 0.760 1.00 0.00 N ATOM 641 CA LYS A 39 -8.132 2.033 0.326 1.00 0.00 C ATOM 642 C LYS A 39 -7.851 0.721 -0.412 1.00 0.00 C ATOM 643 O LYS A 39 -8.518 -0.289 -0.199 1.00 0.00 O ATOM 644 CB LYS A 39 -8.960 2.983 -0.560 1.00 0.00 C ATOM 645 CG LYS A 39 -9.886 3.931 0.221 1.00 0.00 C ATOM 646 CD LYS A 39 -9.154 5.009 1.036 1.00 0.00 C ATOM 647 CE LYS A 39 -10.124 5.906 1.821 1.00 0.00 C ATOM 648 NZ LYS A 39 -10.971 6.751 0.938 1.00 0.00 N ATOM 0 H LYS A 39 -6.723 3.609 0.369 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.714 1.805 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.280 3.579 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.563 2.388 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.560 4.420 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.504 3.340 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.463 4.530 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.556 5.625 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.766 5.282 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.555 6.548 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.569 7.371 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.363 7.332 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.574 6.142 0.349 1.00 0.00 H new ATOM 662 N HIS A 40 -6.767 0.726 -1.181 1.00 0.00 N ATOM 663 CA HIS A 40 -6.086 -0.406 -1.820 1.00 0.00 C ATOM 664 C HIS A 40 -5.649 -1.570 -0.911 1.00 0.00 C ATOM 665 O HIS A 40 -5.197 -2.579 -1.443 1.00 0.00 O ATOM 666 CB HIS A 40 -4.839 0.176 -2.487 1.00 0.00 C ATOM 667 CG HIS A 40 -4.989 0.549 -3.928 1.00 0.00 C ATOM 668 ND1 HIS A 40 -4.063 0.236 -4.929 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.986 1.321 -4.445 1.00 0.00 C ATOM 670 CE1 HIS A 40 -4.557 0.828 -6.043 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.704 1.478 -5.778 1.00 0.00 N ATOM 0 H HIS A 40 -6.295 1.604 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.813 -0.859 -2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.532 1.062 -1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.031 -0.550 -2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.831 1.729 -3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.091 0.784 -7.016 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.267 1.998 -6.452 1.00 0.00 H new ATOM 679 N ILE A 41 -5.769 -1.478 0.416 1.00 0.00 N ATOM 680 CA ILE A 41 -5.454 -2.564 1.362 1.00 0.00 C ATOM 681 C ILE A 41 -6.726 -3.033 2.072 1.00 0.00 C ATOM 682 O ILE A 41 -6.902 -4.232 2.265 1.00 0.00 O ATOM 683 CB ILE A 41 -4.321 -2.134 2.340 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.350 -3.301 2.604 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.808 -1.626 3.712 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.345 -3.507 1.469 1.00 0.00 C ATOM 0 H ILE A 41 -6.095 -0.629 0.878 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.068 -3.424 0.814 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.834 -1.304 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.809 -3.114 3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.922 -4.218 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.949 -1.350 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.448 -0.755 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.372 -2.413 4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.688 -4.342 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.880 -3.723 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.750 -2.603 1.341 1.00 0.00 H new ATOM 698 N GLU A 42 -7.664 -2.124 2.370 1.00 0.00 N ATOM 699 CA GLU A 42 -8.999 -2.483 2.861 1.00 0.00 C ATOM 700 C GLU A 42 -9.783 -3.263 1.800 1.00 0.00 C ATOM 701 O GLU A 42 -10.234 -4.375 2.069 1.00 0.00 O ATOM 702 CB GLU A 42 -9.786 -1.228 3.274 1.00 0.00 C ATOM 703 CG GLU A 42 -9.190 -0.544 4.509 1.00 0.00 C ATOM 704 CD GLU A 42 -10.121 0.575 5.013 1.00 0.00 C ATOM 705 OE1 GLU A 42 -10.010 1.729 4.534 1.00 0.00 O ATOM 706 OE2 GLU A 42 -10.971 0.308 5.899 1.00 0.00 O ATOM 0 H GLU A 42 -7.517 -1.119 2.277 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.868 -3.120 3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.801 -0.522 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.821 -1.502 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.035 -1.279 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.212 -0.128 4.265 1.00 0.00 H new ATOM 713 N TRP A 43 -9.880 -2.735 0.574 1.00 0.00 N ATOM 714 CA TRP A 43 -10.527 -3.419 -0.549 1.00 0.00 C ATOM 715 C TRP A 43 -9.827 -4.742 -0.883 1.00 0.00 C ATOM 716 O TRP A 43 -10.495 -5.758 -1.064 1.00 0.00 O ATOM 717 CB TRP A 43 -10.563 -2.493 -1.778 1.00 0.00 C ATOM 718 CG TRP A 43 -11.326 -1.204 -1.641 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.364 -0.978 -0.801 1.00 0.00 C ATOM 720 CD2 TRP A 43 -11.143 0.048 -2.382 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.827 0.313 -0.962 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.128 0.984 -1.940 1.00 0.00 C ATOM 723 CE3 TRP A 43 -10.252 0.493 -3.387 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.240 2.275 -2.479 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.357 1.786 -3.937 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.350 2.675 -3.489 1.00 0.00 C ATOM 0 H TRP A 43 -9.509 -1.816 0.333 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.549 -3.659 -0.257 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.536 -2.251 -2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.990 -3.052 -2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.770 -1.700 -0.108 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.592 0.719 -0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.477 -0.171 -3.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.001 2.953 -2.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.669 2.097 -4.709 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.428 3.662 -3.920 1.00 0.00 H new ATOM 737 N LEU A 44 -8.490 -4.763 -0.904 1.00 0.00 N ATOM 738 CA LEU A 44 -7.688 -5.942 -1.188 1.00 0.00 C ATOM 739 C LEU A 44 -7.857 -7.052 -0.127 1.00 0.00 C ATOM 740 O LEU A 44 -7.893 -8.228 -0.490 1.00 0.00 O ATOM 741 CB LEU A 44 -6.268 -5.409 -1.382 1.00 0.00 C ATOM 742 CG LEU A 44 -5.222 -6.486 -1.583 1.00 0.00 C ATOM 743 CD1 LEU A 44 -5.408 -7.333 -2.844 1.00 0.00 C ATOM 744 CD2 LEU A 44 -3.820 -5.890 -1.559 1.00 0.00 C ATOM 0 H LEU A 44 -7.927 -3.933 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.007 -6.467 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.257 -4.742 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.995 -4.811 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.356 -7.168 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.613 -8.077 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.374 -7.837 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.370 -6.690 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.085 -6.682 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.724 -5.154 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.646 -5.407 -0.597 1.00 0.00 H new ATOM 756 N GLU A 45 -8.033 -6.714 1.156 1.00 0.00 N ATOM 757 CA GLU A 45 -8.363 -7.698 2.198 1.00 0.00 C ATOM 758 C GLU A 45 -9.833 -8.144 2.120 1.00 0.00 C ATOM 759 O GLU A 45 -10.098 -9.342 2.084 1.00 0.00 O ATOM 760 CB GLU A 45 -8.036 -7.133 3.592 1.00 0.00 C ATOM 761 CG GLU A 45 -7.647 -8.211 4.614 1.00 0.00 C ATOM 762 CD GLU A 45 -8.797 -9.171 4.981 1.00 0.00 C ATOM 763 OE1 GLU A 45 -9.777 -8.730 5.629 1.00 0.00 O ATOM 764 OE2 GLU A 45 -8.704 -10.378 4.651 1.00 0.00 O ATOM 0 H GLU A 45 -7.952 -5.758 1.501 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.749 -8.582 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.219 -6.417 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.901 -6.585 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.816 -8.792 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.290 -7.725 5.522 1.00 0.00 H new ATOM 771 N THR A 46 -10.798 -7.219 2.024 1.00 0.00 N ATOM 772 CA THR A 46 -12.236 -7.544 1.905 1.00 0.00 C ATOM 773 C THR A 46 -12.518 -8.499 0.739 1.00 0.00 C ATOM 774 O THR A 46 -13.345 -9.407 0.856 1.00 0.00 O ATOM 775 CB THR A 46 -13.072 -6.260 1.756 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.021 -5.506 2.952 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.554 -6.489 1.453 1.00 0.00 C ATOM 0 H THR A 46 -10.607 -6.217 2.026 1.00 0.00 H new ATOM 0 HA THR A 46 -12.526 -8.054 2.824 1.00 0.00 H new ATOM 0 HB THR A 46 -12.627 -5.745 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.187 -4.993 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.060 -5.528 1.366 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.653 -7.038 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.006 -7.065 2.261 1.00 0.00 H new ATOM 785 N ILE A 47 -11.791 -8.344 -0.369 1.00 0.00 N ATOM 786 CA ILE A 47 -11.938 -9.165 -1.577 1.00 0.00 C ATOM 787 C ILE A 47 -11.444 -10.624 -1.430 1.00 0.00 C ATOM 788 O ILE A 47 -11.690 -11.458 -2.305 1.00 0.00 O ATOM 789 CB ILE A 47 -11.378 -8.355 -2.778 1.00 0.00 C ATOM 790 CG1 ILE A 47 -12.317 -7.182 -3.165 1.00 0.00 C ATOM 791 CG2 ILE A 47 -11.067 -9.172 -4.028 1.00 0.00 C ATOM 792 CD1 ILE A 47 -13.623 -7.562 -3.881 1.00 0.00 C ATOM 0 H ILE A 47 -11.068 -7.630 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.994 -9.352 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.424 -7.978 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.571 -6.634 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.762 -6.497 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.682 -8.513 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.320 -9.929 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.977 -9.658 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -14.194 -6.660 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.390 -8.079 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.212 -8.218 -3.240 1.00 0.00 H new ATOM 804 N ASN A 48 -10.879 -11.000 -0.278 1.00 0.00 N ATOM 805 CA ASN A 48 -10.651 -12.406 0.092 1.00 0.00 C ATOM 806 C ASN A 48 -11.929 -13.273 0.154 1.00 0.00 C ATOM 807 O ASN A 48 -11.846 -14.500 0.031 1.00 0.00 O ATOM 808 CB ASN A 48 -9.893 -12.477 1.431 1.00 0.00 C ATOM 809 CG ASN A 48 -8.393 -12.255 1.317 1.00 0.00 C ATOM 810 OD1 ASN A 48 -7.724 -12.796 0.448 1.00 0.00 O ATOM 811 ND2 ASN A 48 -7.790 -11.511 2.215 1.00 0.00 N ATOM 0 H ASN A 48 -10.564 -10.336 0.430 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.052 -12.832 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.308 -11.731 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.070 -13.453 1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.778 -11.391 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.334 -11.053 2.946 1.00 0.00 H new ATOM 858 N TYR B 3 15.587 5.630 -3.332 1.00 0.00 N ATOM 859 CA TYR B 3 14.390 4.958 -2.776 1.00 0.00 C ATOM 860 C TYR B 3 13.305 4.660 -3.831 1.00 0.00 C ATOM 861 O TYR B 3 12.779 3.550 -3.879 1.00 0.00 O ATOM 862 CB TYR B 3 13.833 5.777 -1.595 1.00 0.00 C ATOM 863 CG TYR B 3 13.292 7.157 -1.938 1.00 0.00 C ATOM 864 CD1 TYR B 3 14.178 8.226 -2.178 1.00 0.00 C ATOM 865 CD2 TYR B 3 11.904 7.380 -1.998 1.00 0.00 C ATOM 866 CE1 TYR B 3 13.681 9.508 -2.483 1.00 0.00 C ATOM 867 CE2 TYR B 3 11.399 8.660 -2.302 1.00 0.00 C ATOM 868 CZ TYR B 3 12.288 9.731 -2.534 1.00 0.00 C ATOM 869 OH TYR B 3 11.817 10.983 -2.784 1.00 0.00 O ATOM 0 HA TYR B 3 14.707 3.980 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR B 3 13.035 5.202 -1.124 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.623 5.892 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR B 3 15.244 8.061 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR B 3 11.221 6.565 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR B 3 14.365 10.320 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR B 3 10.333 8.821 -2.357 1.00 0.00 H new ATOM 0 HH TYR B 3 10.837 10.969 -2.787 1.00 0.00 H new ATOM 879 N LEU B 4 13.045 5.591 -4.755 1.00 0.00 N ATOM 880 CA LEU B 4 12.286 5.421 -6.004 1.00 0.00 C ATOM 881 C LEU B 4 12.688 4.222 -6.864 1.00 0.00 C ATOM 882 O LEU B 4 11.817 3.689 -7.534 1.00 0.00 O ATOM 883 CB LEU B 4 12.334 6.775 -6.729 1.00 0.00 C ATOM 884 CG LEU B 4 13.731 7.183 -7.217 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.960 6.788 -8.677 1.00 0.00 C ATOM 886 CD2 LEU B 4 13.923 8.692 -7.077 1.00 0.00 C ATOM 0 H LEU B 4 13.380 6.548 -4.645 1.00 0.00 H new ATOM 0 HA LEU B 4 11.257 5.151 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.659 6.740 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU B 4 11.957 7.547 -6.058 1.00 0.00 H new ATOM 0 HG LEU B 4 14.454 6.654 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.960 7.094 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU B 4 13.863 5.707 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU B 4 13.220 7.281 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU B 4 14.918 8.966 -7.427 1.00 0.00 H new ATOM 0 HD22 LEU B 4 13.173 9.211 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU B 4 13.815 8.977 -6.030 1.00 0.00 H new ATOM 898 N ARG B 5 13.923 3.712 -6.823 1.00 0.00 N ATOM 899 CA ARG B 5 14.239 2.463 -7.542 1.00 0.00 C ATOM 900 C ARG B 5 13.623 1.244 -6.863 1.00 0.00 C ATOM 901 O ARG B 5 12.955 0.463 -7.533 1.00 0.00 O ATOM 902 CB ARG B 5 15.758 2.299 -7.710 1.00 0.00 C ATOM 903 CG ARG B 5 16.361 3.382 -8.616 1.00 0.00 C ATOM 904 CD ARG B 5 17.869 3.159 -8.786 1.00 0.00 C ATOM 905 NE ARG B 5 18.464 4.160 -9.693 1.00 0.00 N ATOM 906 CZ ARG B 5 19.733 4.233 -10.057 1.00 0.00 C ATOM 907 NH1 ARG B 5 20.632 3.397 -9.616 1.00 0.00 N ATOM 908 NH2 ARG B 5 20.128 5.158 -10.884 1.00 0.00 N ATOM 0 H ARG B 5 14.705 4.127 -6.316 1.00 0.00 H new ATOM 0 HA ARG B 5 13.793 2.535 -8.534 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.237 2.338 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.971 1.316 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.872 3.364 -9.590 1.00 0.00 H new ATOM 0 HG3 ARG B 5 16.179 4.367 -8.187 1.00 0.00 H new ATOM 0 HD2 ARG B 5 18.358 3.212 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG B 5 18.048 2.158 -9.179 1.00 0.00 H new ATOM 0 HE ARG B 5 17.834 4.865 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG B 5 20.365 2.656 -8.968 1.00 0.00 H new ATOM 0 HH12 ARG B 5 21.602 3.484 -9.919 1.00 0.00 H new ATOM 0 HH21 ARG B 5 19.457 5.831 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG B 5 21.108 5.209 -11.161 1.00 0.00 H new ATOM 922 N GLU B 6 13.759 1.100 -5.545 1.00 0.00 N ATOM 923 CA GLU B 6 13.086 0.064 -4.782 1.00 0.00 C ATOM 924 C GLU B 6 11.560 0.198 -4.877 1.00 0.00 C ATOM 925 O GLU B 6 10.880 -0.802 -5.087 1.00 0.00 O ATOM 926 CB GLU B 6 13.580 0.158 -3.336 1.00 0.00 C ATOM 927 CG GLU B 6 14.857 -0.662 -3.121 1.00 0.00 C ATOM 928 CD GLU B 6 15.245 -0.723 -1.631 1.00 0.00 C ATOM 929 OE1 GLU B 6 15.962 0.187 -1.147 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.851 -1.692 -0.937 1.00 0.00 O ATOM 0 H GLU B 6 14.347 1.709 -4.976 1.00 0.00 H new ATOM 0 HA GLU B 6 13.323 -0.919 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.770 1.201 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.801 -0.197 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.710 -1.673 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.674 -0.222 -3.693 1.00 0.00 H new ATOM 937 N LEU B 7 11.019 1.422 -4.826 1.00 0.00 N ATOM 938 CA LEU B 7 9.598 1.688 -5.073 1.00 0.00 C ATOM 939 C LEU B 7 9.149 1.214 -6.458 1.00 0.00 C ATOM 940 O LEU B 7 8.196 0.449 -6.550 1.00 0.00 O ATOM 941 CB LEU B 7 9.313 3.185 -4.954 1.00 0.00 C ATOM 942 CG LEU B 7 9.340 3.790 -3.552 1.00 0.00 C ATOM 943 CD1 LEU B 7 9.351 5.320 -3.589 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.072 3.391 -2.828 1.00 0.00 C ATOM 0 H LEU B 7 11.559 2.260 -4.611 1.00 0.00 H new ATOM 0 HA LEU B 7 9.039 1.130 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU B 7 10.041 3.717 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.331 3.378 -5.387 1.00 0.00 H new ATOM 0 HG LEU B 7 10.242 3.428 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.370 5.708 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU B 7 10.235 5.665 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.456 5.678 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.077 3.816 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.207 3.765 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.018 2.304 -2.761 1.00 0.00 H new ATOM 956 N TYR B 8 9.821 1.633 -7.536 1.00 0.00 N ATOM 957 CA TYR B 8 9.551 1.155 -8.902 1.00 0.00 C ATOM 958 C TYR B 8 9.544 -0.371 -8.993 1.00 0.00 C ATOM 959 O TYR B 8 8.578 -0.972 -9.462 1.00 0.00 O ATOM 960 CB TYR B 8 10.592 1.742 -9.861 1.00 0.00 C ATOM 961 CG TYR B 8 10.092 2.000 -11.269 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.965 0.940 -12.188 1.00 0.00 C ATOM 963 CD2 TYR B 8 9.758 3.312 -11.660 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.506 1.196 -13.496 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.289 3.570 -12.962 1.00 0.00 C ATOM 966 CZ TYR B 8 9.159 2.508 -13.884 1.00 0.00 C ATOM 967 OH TYR B 8 8.705 2.741 -15.147 1.00 0.00 O ATOM 0 H TYR B 8 10.574 2.319 -7.487 1.00 0.00 H new ATOM 0 HA TYR B 8 8.554 1.493 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR B 8 10.960 2.680 -9.445 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.442 1.061 -9.912 1.00 0.00 H new ATOM 0 HD1 TYR B 8 10.219 -0.067 -11.891 1.00 0.00 H new ATOM 0 HD2 TYR B 8 9.862 4.125 -10.956 1.00 0.00 H new ATOM 0 HE1 TYR B 8 9.420 0.385 -14.204 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.029 4.577 -13.255 1.00 0.00 H new ATOM 0 HH TYR B 8 8.509 3.695 -15.253 1.00 0.00 H new ATOM 977 N LYS B 9 10.596 -0.995 -8.458 1.00 0.00 N ATOM 978 CA LYS B 9 10.735 -2.459 -8.337 1.00 0.00 C ATOM 979 C LYS B 9 9.775 -3.131 -7.328 1.00 0.00 C ATOM 980 O LYS B 9 9.849 -4.346 -7.142 1.00 0.00 O ATOM 981 CB LYS B 9 12.214 -2.858 -8.122 1.00 0.00 C ATOM 982 CG LYS B 9 13.062 -2.868 -9.413 1.00 0.00 C ATOM 983 CD LYS B 9 13.622 -1.499 -9.831 1.00 0.00 C ATOM 984 CE LYS B 9 14.524 -1.562 -11.072 1.00 0.00 C ATOM 985 NZ LYS B 9 13.762 -1.786 -12.329 1.00 0.00 N ATOM 0 H LYS B 9 11.399 -0.488 -8.085 1.00 0.00 H new ATOM 0 HA LYS B 9 10.409 -2.864 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.665 -2.167 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.249 -3.849 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.894 -3.559 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.452 -3.259 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.792 -0.820 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.188 -1.077 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.086 -0.632 -11.154 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.252 -2.364 -10.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.421 -1.820 -13.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.246 -2.687 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.086 -1.008 -12.468 1.00 0.00 H new ATOM 999 N LEU B 10 8.817 -2.395 -6.756 1.00 0.00 N ATOM 1000 CA LEU B 10 7.645 -2.932 -6.043 1.00 0.00 C ATOM 1001 C LEU B 10 6.326 -2.576 -6.758 1.00 0.00 C ATOM 1002 O LEU B 10 5.475 -3.444 -6.928 1.00 0.00 O ATOM 1003 CB LEU B 10 7.627 -2.387 -4.601 1.00 0.00 C ATOM 1004 CG LEU B 10 8.785 -2.854 -3.697 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.830 -1.967 -2.455 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.631 -4.304 -3.255 1.00 0.00 C ATOM 0 H LEU B 10 8.833 -1.375 -6.775 1.00 0.00 H new ATOM 0 HA LEU B 10 7.727 -4.019 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.640 -1.298 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.686 -2.677 -4.134 1.00 0.00 H new ATOM 0 HG LEU B 10 9.706 -2.778 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.646 -2.288 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.990 -0.931 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.886 -2.048 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.473 -4.582 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.702 -4.417 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.608 -4.951 -4.132 1.00 0.00 H new ATOM 1018 N GLU B 11 6.159 -1.336 -7.227 1.00 0.00 N ATOM 1019 CA GLU B 11 4.949 -0.841 -7.899 1.00 0.00 C ATOM 1020 C GLU B 11 4.741 -1.506 -9.271 1.00 0.00 C ATOM 1021 O GLU B 11 3.658 -2.024 -9.545 1.00 0.00 O ATOM 1022 CB GLU B 11 5.045 0.688 -8.062 1.00 0.00 C ATOM 1023 CG GLU B 11 4.896 1.483 -6.752 1.00 0.00 C ATOM 1024 CD GLU B 11 3.439 1.849 -6.443 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.832 2.853 -6.862 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.662 1.221 -5.704 1.00 0.00 O ATOM 0 H GLU B 11 6.885 -0.624 -7.148 1.00 0.00 H new ATOM 0 HA GLU B 11 4.089 -1.097 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU B 11 6.007 0.932 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.274 1.015 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.301 0.896 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.489 2.395 -6.816 1.00 0.00 H new ATOM 1033 N GLN B 12 5.774 -1.560 -10.123 1.00 0.00 N ATOM 1034 CA GLN B 12 5.711 -2.269 -11.406 1.00 0.00 C ATOM 1035 C GLN B 12 5.683 -3.799 -11.239 1.00 0.00 C ATOM 1036 O GLN B 12 5.044 -4.499 -12.024 1.00 0.00 O ATOM 1037 CB GLN B 12 6.888 -1.818 -12.285 1.00 0.00 C ATOM 1038 CG GLN B 12 6.396 -1.053 -13.514 1.00 0.00 C ATOM 1039 CD GLN B 12 5.799 -1.950 -14.598 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.396 -2.919 -15.050 1.00 0.00 O ATOM 1041 NE2 GLN B 12 4.603 -1.665 -15.070 1.00 0.00 N ATOM 0 H GLN B 12 6.674 -1.115 -9.942 1.00 0.00 H new ATOM 0 HA GLN B 12 4.771 -2.011 -11.894 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.559 -1.185 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.464 -2.688 -12.601 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.646 -0.326 -13.202 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.228 -0.490 -13.938 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.089 -0.862 -14.707 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.190 -2.247 -15.799 1.00 0.00 H new ATOM 1050 N GLN B 13 6.310 -4.323 -10.183 1.00 0.00 N ATOM 1051 CA GLN B 13 6.220 -5.732 -9.807 1.00 0.00 C ATOM 1052 C GLN B 13 4.788 -6.131 -9.411 1.00 0.00 C ATOM 1053 O GLN B 13 4.295 -7.167 -9.854 1.00 0.00 O ATOM 1054 CB GLN B 13 7.247 -6.011 -8.711 1.00 0.00 C ATOM 1055 CG GLN B 13 8.556 -6.601 -9.261 1.00 0.00 C ATOM 1056 CD GLN B 13 8.402 -8.014 -9.825 1.00 0.00 C ATOM 1057 OE1 GLN B 13 8.251 -8.224 -11.022 1.00 0.00 O ATOM 1058 NE2 GLN B 13 8.437 -9.035 -8.997 1.00 0.00 N ATOM 0 H GLN B 13 6.901 -3.773 -9.559 1.00 0.00 H new ATOM 0 HA GLN B 13 6.456 -6.358 -10.667 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.466 -5.085 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.819 -6.702 -7.985 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.939 -5.946 -10.044 1.00 0.00 H new ATOM 0 HG3 GLN B 13 9.301 -6.616 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN B 13 8.562 -8.877 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN B 13 8.339 -9.985 -9.355 1.00 0.00 H new ATOM 1067 N ALA B 14 4.081 -5.282 -8.656 1.00 0.00 N ATOM 1068 CA ALA B 14 2.659 -5.454 -8.364 1.00 0.00 C ATOM 1069 C ALA B 14 1.785 -5.275 -9.622 1.00 0.00 C ATOM 1070 O ALA B 14 0.857 -6.053 -9.832 1.00 0.00 O ATOM 1071 CB ALA B 14 2.261 -4.481 -7.248 1.00 0.00 C ATOM 0 H ALA B 14 4.487 -4.450 -8.228 1.00 0.00 H new ATOM 0 HA ALA B 14 2.487 -6.476 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.201 -4.601 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.849 -4.692 -6.355 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.449 -3.458 -7.573 1.00 0.00 H new ATOM 1077 N MET B 15 2.098 -4.310 -10.497 1.00 0.00 N ATOM 1078 CA MET B 15 1.358 -4.064 -11.746 1.00 0.00 C ATOM 1079 C MET B 15 1.248 -5.306 -12.641 1.00 0.00 C ATOM 1080 O MET B 15 0.158 -5.640 -13.113 1.00 0.00 O ATOM 1081 CB MET B 15 2.014 -2.910 -12.517 1.00 0.00 C ATOM 1082 CG MET B 15 1.345 -2.634 -13.873 1.00 0.00 C ATOM 1083 SD MET B 15 1.056 -0.884 -14.207 1.00 0.00 S ATOM 1084 CE MET B 15 -0.325 -0.692 -13.054 1.00 0.00 C ATOM 0 H MET B 15 2.880 -3.670 -10.358 1.00 0.00 H new ATOM 0 HA MET B 15 0.339 -3.797 -11.465 1.00 0.00 H new ATOM 0 HB2 MET B 15 1.975 -2.006 -11.909 1.00 0.00 H new ATOM 0 HB3 MET B 15 3.067 -3.141 -12.678 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.970 -3.046 -14.665 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.393 -3.163 -13.911 1.00 0.00 H new ATOM 0 HE1 MET B 15 -0.672 0.341 -13.071 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.140 -1.353 -13.349 1.00 0.00 H new ATOM 0 HE3 MET B 15 0.004 -0.948 -12.047 1.00 0.00 H new ATOM 1094 N LYS B 16 2.363 -6.021 -12.833 1.00 0.00 N ATOM 1095 CA LYS B 16 2.422 -7.289 -13.579 1.00 0.00 C ATOM 1096 C LYS B 16 1.433 -8.332 -13.059 1.00 0.00 C ATOM 1097 O LYS B 16 0.831 -9.063 -13.842 1.00 0.00 O ATOM 1098 CB LYS B 16 3.844 -7.850 -13.472 1.00 0.00 C ATOM 1099 CG LYS B 16 4.840 -7.084 -14.360 1.00 0.00 C ATOM 1100 CD LYS B 16 6.303 -7.378 -13.995 1.00 0.00 C ATOM 1101 CE LYS B 16 6.662 -8.864 -14.134 1.00 0.00 C ATOM 1102 NZ LYS B 16 8.064 -9.118 -13.717 1.00 0.00 N ATOM 0 H LYS B 16 3.270 -5.730 -12.467 1.00 0.00 H new ATOM 0 HA LYS B 16 2.150 -7.078 -14.613 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.174 -7.803 -12.434 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.840 -8.902 -13.757 1.00 0.00 H new ATOM 0 HG2 LYS B 16 4.669 -7.349 -15.403 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.654 -6.014 -14.268 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.958 -6.789 -14.636 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.489 -7.058 -12.970 1.00 0.00 H new ATOM 0 HE2 LYS B 16 5.984 -9.463 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS B 16 6.525 -9.179 -15.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 8.269 -10.135 -13.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 8.711 -8.590 -14.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.195 -8.807 -12.733 1.00 0.00 H new ATOM 1116 N LEU B 17 1.252 -8.391 -11.742 1.00 0.00 N ATOM 1117 CA LEU B 17 0.389 -9.344 -11.064 1.00 0.00 C ATOM 1118 C LEU B 17 -1.070 -8.901 -11.104 1.00 0.00 C ATOM 1119 O LEU B 17 -1.961 -9.731 -11.299 1.00 0.00 O ATOM 1120 CB LEU B 17 0.864 -9.458 -9.618 1.00 0.00 C ATOM 1121 CG LEU B 17 2.296 -9.975 -9.519 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.798 -9.826 -8.087 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.416 -11.434 -9.950 1.00 0.00 C ATOM 0 H LEU B 17 1.720 -7.753 -11.099 1.00 0.00 H new ATOM 0 HA LEU B 17 0.446 -10.309 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.798 -8.482 -9.138 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.200 -10.127 -9.071 1.00 0.00 H new ATOM 0 HG LEU B 17 2.905 -9.379 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.821 -10.196 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.773 -8.775 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.159 -10.400 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.454 -11.755 -9.862 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.788 -12.055 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.092 -11.535 -10.986 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.306 -7.590 -10.981 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.642 -7.007 -11.034 1.00 0.00 C ATOM 1137 C TYR B 18 -3.388 -7.307 -12.349 1.00 0.00 C ATOM 1138 O TYR B 18 -4.600 -7.535 -12.321 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.540 -5.496 -10.772 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.580 -5.076 -9.310 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.633 -5.519 -8.488 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.590 -4.232 -8.768 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.667 -5.193 -7.121 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.617 -3.898 -7.400 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.638 -4.405 -6.566 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.616 -4.150 -5.233 1.00 0.00 O ATOM 0 H TYR B 18 -0.566 -6.902 -10.841 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.243 -7.476 -10.255 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.611 -5.132 -11.210 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.356 -4.999 -11.296 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.425 -6.117 -8.913 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.809 -3.841 -9.403 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.477 -5.544 -6.499 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.855 -3.253 -6.988 1.00 0.00 H new ATOM 0 HH TYR B 18 -3.026 -4.898 -4.750 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.681 -7.377 -13.491 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.253 -7.820 -14.780 1.00 0.00 C ATOM 1158 C ARG B 19 -3.396 -9.343 -14.921 1.00 0.00 C ATOM 1159 O ARG B 19 -4.259 -9.799 -15.666 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.465 -7.229 -15.968 1.00 0.00 C ATOM 1161 CG ARG B 19 -0.980 -7.630 -16.015 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.290 -7.228 -17.323 1.00 0.00 C ATOM 1163 NE ARG B 19 -0.664 -8.121 -18.440 1.00 0.00 N ATOM 1164 CZ ARG B 19 -0.108 -8.163 -19.639 1.00 0.00 C ATOM 1165 NH1 ARG B 19 0.837 -7.339 -19.996 1.00 0.00 N ATOM 1166 NH2 ARG B 19 -0.492 -9.050 -20.513 1.00 0.00 N ATOM 0 H ARG B 19 -1.694 -7.128 -13.549 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.271 -7.429 -14.793 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -2.942 -7.544 -16.896 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.533 -6.142 -15.927 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.458 -7.166 -15.178 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.897 -8.709 -15.884 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.557 -6.201 -17.574 1.00 0.00 H new ATOM 0 HD3 ARG B 19 0.791 -7.252 -17.185 1.00 0.00 H new ATOM 0 HE ARG B 19 -1.430 -8.772 -18.268 1.00 0.00 H new ATOM 0 HH11 ARG B 19 1.171 -6.632 -19.341 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.242 -7.402 -20.930 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -1.226 -9.717 -20.274 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -0.059 -9.077 -21.436 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.573 -10.137 -14.232 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.482 -11.593 -14.450 1.00 0.00 C ATOM 1182 C GLU B 20 -3.677 -12.350 -13.863 1.00 0.00 C ATOM 1183 O GLU B 20 -4.371 -13.095 -14.558 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.180 -12.120 -13.823 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.737 -13.444 -14.462 1.00 0.00 C ATOM 1186 CD GLU B 20 0.751 -13.743 -14.196 1.00 0.00 C ATOM 1187 OE1 GLU B 20 1.611 -13.327 -15.010 1.00 0.00 O ATOM 1188 OE2 GLU B 20 1.070 -14.422 -13.190 1.00 0.00 O ATOM 0 H GLU B 20 -1.947 -9.793 -13.504 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.487 -11.765 -15.526 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.392 -11.377 -13.942 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.324 -12.263 -12.752 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.346 -14.258 -14.069 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -0.912 -13.404 -15.537 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.943 -12.104 -12.580 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.105 -12.642 -11.861 1.00 0.00 C ATOM 1197 C ALA B 21 -6.438 -11.935 -12.210 1.00 0.00 C ATOM 1198 O ALA B 21 -7.484 -12.345 -11.713 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.795 -12.653 -10.350 1.00 0.00 C ATOM 0 H ALA B 21 -3.348 -11.515 -11.998 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.270 -13.667 -12.193 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.652 -13.051 -9.806 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.923 -13.279 -10.162 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.591 -11.637 -10.013 1.00 0.00 H new ATOM 1205 N SER B 22 -6.445 -10.910 -13.073 1.00 0.00 N ATOM 1206 CA SER B 22 -7.632 -10.084 -13.374 1.00 0.00 C ATOM 1207 C SER B 22 -8.836 -10.871 -13.893 1.00 0.00 C ATOM 1208 O SER B 22 -9.909 -10.847 -13.287 1.00 0.00 O ATOM 1209 CB SER B 22 -7.261 -9.005 -14.396 1.00 0.00 C ATOM 1210 OG SER B 22 -8.256 -7.997 -14.440 1.00 0.00 O ATOM 0 H SER B 22 -5.615 -10.623 -13.592 1.00 0.00 H new ATOM 0 HA SER B 22 -7.938 -9.647 -12.424 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.300 -8.563 -14.134 1.00 0.00 H new ATOM 0 HB3 SER B 22 -7.147 -9.454 -15.382 1.00 0.00 H new ATOM 0 HG SER B 22 -8.002 -7.315 -15.097 1.00 0.00 H new ATOM 1216 N GLU B 23 -8.647 -11.622 -14.980 1.00 0.00 N ATOM 1217 CA GLU B 23 -9.688 -12.493 -15.556 1.00 0.00 C ATOM 1218 C GLU B 23 -10.126 -13.600 -14.575 1.00 0.00 C ATOM 1219 O GLU B 23 -11.293 -14.003 -14.558 1.00 0.00 O ATOM 1220 CB GLU B 23 -9.172 -13.093 -16.877 1.00 0.00 C ATOM 1221 CG GLU B 23 -10.248 -13.871 -17.650 1.00 0.00 C ATOM 1222 CD GLU B 23 -9.715 -14.363 -19.009 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -9.170 -15.492 -19.082 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -9.848 -13.632 -20.022 1.00 0.00 O ATOM 0 H GLU B 23 -7.765 -11.647 -15.492 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.574 -11.889 -15.753 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.789 -12.291 -17.508 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.335 -13.758 -16.664 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.580 -14.723 -17.057 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -11.118 -13.234 -17.807 1.00 0.00 H new ATOM 1231 N ARG B 24 -9.194 -14.068 -13.732 1.00 0.00 N ATOM 1232 CA ARG B 24 -9.415 -15.130 -12.740 1.00 0.00 C ATOM 1233 C ARG B 24 -10.227 -14.657 -11.525 1.00 0.00 C ATOM 1234 O ARG B 24 -11.052 -15.421 -11.021 1.00 0.00 O ATOM 1235 CB ARG B 24 -8.050 -15.726 -12.340 1.00 0.00 C ATOM 1236 CG ARG B 24 -8.137 -17.244 -12.118 1.00 0.00 C ATOM 1237 CD ARG B 24 -6.746 -17.842 -11.877 1.00 0.00 C ATOM 1238 NE ARG B 24 -6.783 -19.318 -11.920 1.00 0.00 N ATOM 1239 CZ ARG B 24 -5.773 -20.130 -12.184 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -4.558 -19.694 -12.373 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -5.966 -21.415 -12.272 1.00 0.00 N ATOM 0 H ARG B 24 -8.240 -13.708 -13.721 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.028 -15.909 -13.194 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.318 -15.513 -13.119 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.695 -15.244 -11.429 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -8.781 -17.454 -11.264 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.595 -17.717 -12.987 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.052 -17.471 -12.632 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.369 -17.513 -10.909 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.683 -19.757 -11.726 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -4.361 -18.695 -12.319 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -3.805 -20.352 -12.575 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -6.901 -21.801 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -5.183 -22.036 -12.476 1.00 0.00 H new ATOM 1255 N VAL B 25 -10.052 -13.401 -11.090 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.864 -12.780 -10.019 1.00 0.00 C ATOM 1257 C VAL B 25 -12.216 -12.276 -10.548 1.00 0.00 C ATOM 1258 O VAL B 25 -13.260 -12.639 -10.002 1.00 0.00 O ATOM 1259 CB VAL B 25 -10.101 -11.631 -9.337 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -10.943 -10.893 -8.287 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -8.851 -12.142 -8.616 1.00 0.00 C ATOM 0 H VAL B 25 -9.339 -12.778 -11.470 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.059 -13.556 -9.279 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.842 -10.949 -10.147 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -10.350 -10.094 -7.841 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.826 -10.467 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -11.251 -11.593 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -8.335 -11.305 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -9.141 -12.865 -7.854 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -8.186 -12.620 -9.335 1.00 0.00 H new ATOM 1271 N GLY B 26 -12.219 -11.471 -11.617 1.00 0.00 N ATOM 1272 CA GLY B 26 -13.437 -10.939 -12.243 1.00 0.00 C ATOM 1273 C GLY B 26 -14.240 -9.941 -11.387 1.00 0.00 C ATOM 1274 O GLY B 26 -15.461 -10.077 -11.284 1.00 0.00 O ATOM 0 H GLY B 26 -11.362 -11.166 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -13.161 -10.450 -13.177 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -14.087 -11.775 -12.501 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.586 -8.941 -10.781 1.00 0.00 N ATOM 1279 CA ASP B 27 -14.227 -7.876 -9.979 1.00 0.00 C ATOM 1280 C ASP B 27 -13.766 -6.459 -10.396 1.00 0.00 C ATOM 1281 O ASP B 27 -12.628 -6.290 -10.846 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.955 -8.098 -8.480 1.00 0.00 C ATOM 1283 CG ASP B 27 -14.917 -9.126 -7.858 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -16.129 -8.821 -7.751 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -14.465 -10.215 -7.434 1.00 0.00 O ATOM 0 H ASP B 27 -12.572 -8.843 -10.833 1.00 0.00 H new ATOM 0 HA ASP B 27 -15.298 -7.937 -10.170 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.928 -8.437 -8.346 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -14.049 -7.149 -7.951 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.616 -5.420 -10.246 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.348 -4.089 -10.796 1.00 0.00 C ATOM 1292 C PRO B 28 -13.299 -3.281 -10.018 1.00 0.00 C ATOM 1293 O PRO B 28 -12.532 -2.543 -10.638 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.706 -3.375 -10.807 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.471 -4.036 -9.661 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.971 -5.479 -9.709 1.00 0.00 C ATOM 0 HA PRO B 28 -13.911 -4.183 -11.790 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.596 -2.302 -10.649 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.220 -3.506 -11.759 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.252 -3.564 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.550 -3.976 -9.807 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.977 -5.927 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.614 -6.093 -10.340 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.214 -3.404 -8.684 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.236 -2.617 -7.900 1.00 0.00 C ATOM 1306 C VAL B 29 -10.785 -3.037 -8.180 1.00 0.00 C ATOM 1307 O VAL B 29 -9.888 -2.208 -8.107 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.585 -2.542 -6.395 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.267 -3.796 -5.575 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -11.889 -1.353 -5.720 1.00 0.00 C ATOM 0 H VAL B 29 -13.798 -4.029 -8.129 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.315 -1.589 -8.255 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.669 -2.429 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.552 -3.633 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.824 -4.643 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.199 -4.005 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.155 -1.328 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.809 -1.459 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.208 -0.426 -6.196 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.539 -4.276 -8.622 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.243 -4.751 -9.086 1.00 0.00 C ATOM 1322 C LEU B 30 -8.800 -4.030 -10.373 1.00 0.00 C ATOM 1323 O LEU B 30 -7.667 -3.556 -10.481 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.438 -6.258 -9.295 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.230 -6.979 -9.880 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -6.971 -6.829 -9.032 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -8.525 -8.468 -10.010 1.00 0.00 C ATOM 0 H LEU B 30 -11.263 -4.993 -8.665 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.446 -4.545 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -9.689 -6.715 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -10.292 -6.412 -9.955 1.00 0.00 H new ATOM 0 HG LEU B 30 -8.047 -6.518 -10.851 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -6.148 -7.366 -9.504 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -6.714 -5.773 -8.946 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -7.150 -7.241 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -7.656 -8.976 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -8.748 -8.882 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -9.382 -8.613 -10.668 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.722 -3.895 -11.327 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.522 -3.104 -12.545 1.00 0.00 C ATOM 1341 C ALA B 31 -9.328 -1.599 -12.251 1.00 0.00 C ATOM 1342 O ALA B 31 -8.476 -0.954 -12.867 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.697 -3.351 -13.499 1.00 0.00 C ATOM 0 H ALA B 31 -10.640 -4.337 -11.276 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.596 -3.429 -13.020 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.557 -2.766 -14.408 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.744 -4.410 -13.752 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.627 -3.052 -13.016 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.052 -1.040 -11.269 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.822 0.333 -10.766 1.00 0.00 C ATOM 1351 C LYS B 32 -8.446 0.492 -10.107 1.00 0.00 C ATOM 1352 O LYS B 32 -7.817 1.542 -10.231 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.924 0.742 -9.773 1.00 0.00 C ATOM 1354 CG LYS B 32 -12.346 0.774 -10.372 1.00 0.00 C ATOM 1355 CD LYS B 32 -12.908 2.203 -10.451 1.00 0.00 C ATOM 1356 CE LYS B 32 -14.326 2.249 -11.042 1.00 0.00 C ATOM 1357 NZ LYS B 32 -15.347 1.672 -10.124 1.00 0.00 N ATOM 0 H LYS B 32 -10.816 -1.524 -10.797 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.852 0.992 -11.634 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.913 0.049 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.689 1.729 -9.375 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -12.328 0.336 -11.370 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.009 0.157 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.920 2.640 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -12.245 2.817 -11.060 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -14.588 3.283 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -14.341 1.703 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -16.285 1.727 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -15.115 0.677 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -15.355 2.208 -9.233 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.957 -0.549 -9.431 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.683 -0.515 -8.706 1.00 0.00 C ATOM 1373 C ILE B 33 -5.472 -0.398 -9.639 1.00 0.00 C ATOM 1374 O ILE B 33 -4.595 0.430 -9.392 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.583 -1.697 -7.715 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.348 -1.307 -6.430 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.139 -2.098 -7.363 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.670 -2.512 -5.547 1.00 0.00 C ATOM 0 H ILE B 33 -8.437 -1.447 -9.370 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.665 0.399 -8.113 1.00 0.00 H new ATOM 0 HB ILE B 33 -7.020 -2.571 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.753 -0.593 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.275 -0.803 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -5.154 -2.934 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.612 -2.394 -8.270 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.627 -1.251 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.207 -2.179 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.289 -3.216 -6.103 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.743 -3.002 -5.248 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.417 -1.169 -10.730 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.293 -1.083 -11.676 1.00 0.00 C ATOM 1392 C LEU B 34 -4.255 0.255 -12.444 1.00 0.00 C ATOM 1393 O LEU B 34 -3.182 0.725 -12.815 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.251 -2.345 -12.560 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.295 -2.438 -13.687 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -4.792 -1.828 -14.999 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -5.639 -3.903 -13.965 1.00 0.00 C ATOM 0 H LEU B 34 -6.129 -1.855 -10.981 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.359 -1.070 -11.114 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.260 -2.413 -13.009 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.369 -3.216 -11.915 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.168 -1.881 -13.346 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.565 -1.919 -15.762 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.557 -0.775 -14.844 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.896 -2.356 -15.326 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.378 -3.958 -14.764 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.738 -4.437 -14.267 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.046 -4.359 -13.062 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.402 0.916 -12.624 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.524 2.256 -13.183 1.00 0.00 C ATOM 1411 C GLU B 35 -4.984 3.359 -12.249 1.00 0.00 C ATOM 1412 O GLU B 35 -4.453 4.364 -12.724 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.011 2.465 -13.447 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.463 1.829 -14.760 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.130 2.705 -15.982 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -7.868 3.684 -16.251 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -6.139 2.410 -16.693 1.00 0.00 O ATOM 0 H GLU B 35 -6.304 0.512 -12.373 1.00 0.00 H new ATOM 0 HA GLU B 35 -4.923 2.331 -14.089 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.587 2.041 -12.624 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.227 3.533 -13.470 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.985 0.856 -14.873 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.538 1.654 -14.724 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.082 3.184 -10.927 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.513 4.091 -9.929 1.00 0.00 C ATOM 1426 C ASP B 36 -2.975 4.020 -9.866 1.00 0.00 C ATOM 1427 O ASP B 36 -2.309 5.054 -9.792 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.079 3.723 -8.553 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.528 4.152 -8.280 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -7.035 5.118 -8.901 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.135 3.537 -7.370 1.00 0.00 O ATOM 0 H ASP B 36 -5.570 2.390 -10.514 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.782 5.107 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.013 2.642 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.440 4.167 -7.790 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.386 2.817 -9.931 1.00 0.00 N ATOM 1437 CA GLU B 37 -0.920 2.649 -9.955 1.00 0.00 C ATOM 1438 C GLU B 37 -0.269 3.303 -11.195 1.00 0.00 C ATOM 1439 O GLU B 37 0.904 3.674 -11.147 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.525 1.161 -9.914 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.030 0.315 -8.735 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.513 0.707 -7.348 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.331 1.614 -7.160 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -0.967 0.127 -6.335 1.00 0.00 O ATOM 0 H GLU B 37 -2.904 1.939 -9.968 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.549 3.153 -9.063 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -0.878 0.696 -10.835 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.563 1.104 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.119 0.364 -8.721 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -0.760 -0.725 -8.920 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.015 3.502 -12.290 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.546 4.223 -13.487 1.00 0.00 C ATOM 1453 C GLU B 38 -0.143 5.671 -13.175 1.00 0.00 C ATOM 1454 O GLU B 38 0.894 6.158 -13.634 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.658 4.237 -14.545 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.112 4.591 -15.935 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.237 4.694 -16.983 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -3.044 5.655 -16.918 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -2.298 3.839 -17.900 1.00 0.00 O ATOM 0 H GLU B 38 -1.974 3.164 -12.373 1.00 0.00 H new ATOM 0 HA GLU B 38 0.336 3.699 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.139 3.260 -14.581 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.423 4.959 -14.260 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.575 5.538 -15.884 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -0.393 3.833 -16.247 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.949 6.356 -12.356 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.605 7.685 -11.832 1.00 0.00 C ATOM 1468 C LYS B 39 0.599 7.596 -10.899 1.00 0.00 C ATOM 1469 O LYS B 39 1.550 8.359 -11.060 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.791 8.346 -11.108 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.839 8.968 -12.043 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.731 7.934 -12.747 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.842 8.639 -13.533 1.00 0.00 C ATOM 1474 NZ LYS B 39 -5.687 7.659 -14.263 1.00 0.00 N ATOM 0 H LYS B 39 -1.854 6.008 -12.038 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.351 8.313 -12.686 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.279 7.600 -10.480 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.409 9.121 -10.444 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.469 9.646 -11.468 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.330 9.568 -12.797 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -3.130 7.324 -13.421 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -4.168 7.259 -12.011 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -5.462 9.220 -12.850 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -4.401 9.342 -14.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -6.431 8.164 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -5.098 7.122 -14.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -6.125 7.004 -13.584 1.00 0.00 H new ATOM 1488 N HIS B 40 0.603 6.631 -9.971 1.00 0.00 N ATOM 1489 CA HIS B 40 1.664 6.475 -8.982 1.00 0.00 C ATOM 1490 C HIS B 40 3.056 6.316 -9.596 1.00 0.00 C ATOM 1491 O HIS B 40 3.969 6.939 -9.088 1.00 0.00 O ATOM 1492 CB HIS B 40 1.420 5.240 -8.119 1.00 0.00 C ATOM 1493 CG HIS B 40 0.264 5.221 -7.162 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.065 4.195 -6.227 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.749 6.128 -7.066 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -1.100 4.506 -5.613 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.594 5.662 -6.087 1.00 0.00 N ATOM 0 H HIS B 40 -0.137 5.934 -9.889 1.00 0.00 H new ATOM 0 HA HIS B 40 1.638 7.394 -8.396 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.301 4.391 -8.792 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.326 5.063 -7.540 1.00 0.00 H new ATOM 0 HD1 HIS B 40 0.666 3.391 -6.049 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.865 7.033 -7.644 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.569 3.907 -4.846 1.00 0.00 H new ATOM 1505 N ILE B 41 3.217 5.500 -10.644 1.00 0.00 N ATOM 1506 CA ILE B 41 4.481 5.107 -11.297 1.00 0.00 C ATOM 1507 C ILE B 41 5.021 6.225 -12.208 1.00 0.00 C ATOM 1508 O ILE B 41 6.231 6.418 -12.313 1.00 0.00 O ATOM 1509 CB ILE B 41 4.296 3.764 -12.059 1.00 0.00 C ATOM 1510 CG1 ILE B 41 5.637 3.061 -12.384 1.00 0.00 C ATOM 1511 CG2 ILE B 41 3.482 3.898 -13.354 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.993 1.992 -11.347 1.00 0.00 C ATOM 0 H ILE B 41 2.413 5.063 -11.094 1.00 0.00 H new ATOM 0 HA ILE B 41 5.235 4.952 -10.525 1.00 0.00 H new ATOM 0 HB ILE B 41 3.731 3.147 -11.360 1.00 0.00 H new ATOM 0 HG12 ILE B 41 5.575 2.602 -13.371 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.434 3.803 -12.427 1.00 0.00 H new ATOM 0 HG21 ILE B 41 3.394 2.922 -13.831 1.00 0.00 H new ATOM 0 HG22 ILE B 41 2.488 4.279 -13.121 1.00 0.00 H new ATOM 0 HG23 ILE B 41 3.986 4.589 -14.031 1.00 0.00 H new ATOM 0 HD11 ILE B 41 6.941 1.526 -11.616 1.00 0.00 H new ATOM 0 HD12 ILE B 41 6.082 2.454 -10.364 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.210 1.234 -11.322 1.00 0.00 H new ATOM 1524 N GLU B 42 4.134 7.018 -12.820 1.00 0.00 N ATOM 1525 CA GLU B 42 4.506 8.255 -13.519 1.00 0.00 C ATOM 1526 C GLU B 42 5.002 9.312 -12.515 1.00 0.00 C ATOM 1527 O GLU B 42 6.078 9.892 -12.685 1.00 0.00 O ATOM 1528 CB GLU B 42 3.296 8.755 -14.326 1.00 0.00 C ATOM 1529 CG GLU B 42 3.635 9.971 -15.198 1.00 0.00 C ATOM 1530 CD GLU B 42 2.444 10.358 -16.095 1.00 0.00 C ATOM 1531 OE1 GLU B 42 2.340 9.837 -17.233 1.00 0.00 O ATOM 1532 OE2 GLU B 42 1.610 11.200 -15.680 1.00 0.00 O ATOM 0 H GLU B 42 3.134 6.820 -12.845 1.00 0.00 H new ATOM 0 HA GLU B 42 5.327 8.061 -14.209 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.927 7.948 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.489 9.016 -13.641 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.905 10.814 -14.563 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.504 9.748 -15.817 1.00 0.00 H new ATOM 1539 N TRP B 43 4.265 9.501 -11.415 1.00 0.00 N ATOM 1540 CA TRP B 43 4.691 10.327 -10.285 1.00 0.00 C ATOM 1541 C TRP B 43 5.944 9.772 -9.579 1.00 0.00 C ATOM 1542 O TRP B 43 6.745 10.556 -9.069 1.00 0.00 O ATOM 1543 CB TRP B 43 3.523 10.492 -9.302 1.00 0.00 C ATOM 1544 CG TRP B 43 2.271 11.157 -9.816 1.00 0.00 C ATOM 1545 CD1 TRP B 43 2.184 12.027 -10.851 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.904 11.024 -9.306 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.873 12.435 -11.012 1.00 0.00 N ATOM 1548 CE2 TRP B 43 0.046 11.878 -10.064 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.302 10.282 -8.268 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.323 12.013 -9.785 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.070 10.413 -7.971 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -1.881 11.282 -8.723 1.00 0.00 C ATOM 0 H TRP B 43 3.346 9.079 -11.285 1.00 0.00 H new ATOM 0 HA TRP B 43 4.977 11.304 -10.675 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.252 9.503 -8.933 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.881 11.064 -8.446 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.015 12.353 -11.459 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.557 13.071 -11.744 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.905 9.599 -7.688 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -1.940 12.671 -10.379 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.501 9.843 -7.161 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -2.929 11.387 -8.485 1.00 0.00 H new ATOM 1563 N LEU B 44 6.160 8.449 -9.585 1.00 0.00 N ATOM 1564 CA LEU B 44 7.324 7.789 -8.974 1.00 0.00 C ATOM 1565 C LEU B 44 8.654 8.300 -9.545 1.00 0.00 C ATOM 1566 O LEU B 44 9.508 8.801 -8.822 1.00 0.00 O ATOM 1567 CB LEU B 44 7.161 6.279 -9.211 1.00 0.00 C ATOM 1568 CG LEU B 44 7.779 5.337 -8.196 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.430 3.906 -8.567 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.272 5.512 -8.050 1.00 0.00 C ATOM 0 H LEU B 44 5.515 7.792 -10.025 1.00 0.00 H new ATOM 0 HA LEU B 44 7.359 8.016 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.094 6.061 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.584 6.045 -10.188 1.00 0.00 H new ATOM 0 HG LEU B 44 7.359 5.582 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.872 3.224 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.347 3.784 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.821 3.682 -9.560 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.650 4.808 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.756 5.324 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.489 6.530 -7.727 1.00 0.00 H new ATOM 1582 N GLU B 45 8.817 8.220 -10.862 1.00 0.00 N ATOM 1583 CA GLU B 45 9.988 8.761 -11.568 1.00 0.00 C ATOM 1584 C GLU B 45 10.043 10.287 -11.526 1.00 0.00 C ATOM 1585 O GLU B 45 11.128 10.854 -11.425 1.00 0.00 O ATOM 1586 CB GLU B 45 9.945 8.282 -13.025 1.00 0.00 C ATOM 1587 CG GLU B 45 11.316 8.348 -13.707 1.00 0.00 C ATOM 1588 CD GLU B 45 11.242 7.841 -15.161 1.00 0.00 C ATOM 1589 OE1 GLU B 45 10.869 8.630 -16.064 1.00 0.00 O ATOM 1590 OE2 GLU B 45 11.570 6.657 -15.414 1.00 0.00 O ATOM 0 H GLU B 45 8.138 7.775 -11.480 1.00 0.00 H new ATOM 0 HA GLU B 45 10.885 8.398 -11.065 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.577 7.257 -13.056 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.235 8.892 -13.584 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.681 9.375 -13.696 1.00 0.00 H new ATOM 0 HG3 GLU B 45 12.033 7.748 -13.146 1.00 0.00 H new ATOM 1597 N THR B 46 8.891 10.958 -11.526 1.00 0.00 N ATOM 1598 CA THR B 46 8.819 12.416 -11.288 1.00 0.00 C ATOM 1599 C THR B 46 9.431 12.820 -9.931 1.00 0.00 C ATOM 1600 O THR B 46 10.007 13.904 -9.816 1.00 0.00 O ATOM 1601 CB THR B 46 7.381 12.946 -11.429 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.848 12.612 -12.695 1.00 0.00 O ATOM 1603 CG2 THR B 46 7.278 14.469 -11.329 1.00 0.00 C ATOM 0 H THR B 46 7.985 10.519 -11.688 1.00 0.00 H new ATOM 0 HA THR B 46 9.424 12.885 -12.064 1.00 0.00 H new ATOM 0 HB THR B 46 6.835 12.484 -10.606 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.595 11.665 -12.704 1.00 0.00 H new ATOM 0 HG21 THR B 46 6.236 14.771 -11.437 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.652 14.796 -10.359 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.872 14.927 -12.120 1.00 0.00 H new ATOM 1611 N ILE B 47 9.404 11.941 -8.916 1.00 0.00 N ATOM 1612 CA ILE B 47 9.981 12.180 -7.577 1.00 0.00 C ATOM 1613 C ILE B 47 11.521 12.279 -7.533 1.00 0.00 C ATOM 1614 O ILE B 47 12.095 12.654 -6.509 1.00 0.00 O ATOM 1615 CB ILE B 47 9.375 11.179 -6.547 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.759 11.897 -5.327 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.354 10.102 -6.044 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.484 12.681 -5.665 1.00 0.00 C ATOM 0 H ILE B 47 8.971 11.022 -9.003 1.00 0.00 H new ATOM 0 HA ILE B 47 9.684 13.186 -7.282 1.00 0.00 H new ATOM 0 HB ILE B 47 8.596 10.671 -7.115 1.00 0.00 H new ATOM 0 HG12 ILE B 47 8.531 11.160 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.496 12.580 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.845 9.452 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.708 9.510 -6.888 1.00 0.00 H new ATOM 0 HG23 ILE B 47 11.202 10.581 -5.556 1.00 0.00 H new ATOM 0 HD11 ILE B 47 7.103 13.161 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE B 47 7.712 13.441 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.731 11.999 -6.059 1.00 0.00 H new ATOM 1630 N ASN B 48 12.194 12.014 -8.657 1.00 0.00 N ATOM 1631 CA ASN B 48 13.643 12.188 -8.839 1.00 0.00 C ATOM 1632 C ASN B 48 14.148 13.629 -8.610 1.00 0.00 C ATOM 1633 O ASN B 48 15.324 13.830 -8.293 1.00 0.00 O ATOM 1634 CB ASN B 48 14.029 11.712 -10.254 1.00 0.00 C ATOM 1635 CG ASN B 48 14.390 10.243 -10.342 1.00 0.00 C ATOM 1636 OD1 ASN B 48 15.437 9.806 -9.889 1.00 0.00 O ATOM 1637 ND2 ASN B 48 13.559 9.450 -10.972 1.00 0.00 N ATOM 0 H ASN B 48 11.732 11.660 -9.495 1.00 0.00 H new ATOM 0 HA ASN B 48 14.128 11.586 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN B 48 13.198 11.911 -10.931 1.00 0.00 H new ATOM 0 HB3 ASN B 48 14.875 12.303 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN B 48 13.785 8.462 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN B 48 12.686 9.821 -11.348 1.00 0.00 H new