USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -1.43 K(o=0.68,f=0.092) USER MOD Set 1.2: A 67 TYR OH : rot -168:sc= 1.41 USER MOD Set 1.3: A 78 THR OG1 : rot -155:sc= 0.07 USER MOD Set 1.4: A 104 HEC O2A : rot 124:sc= 0.636 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -8.16! C(o=-12!,f=-10!) USER MOD Set 2.2: A 56 ASN : amide:sc= -3.72! C(o=-12!,f=-13!) USER MOD Set 3.1: A 19 THR OG1 : rot 17:sc= 0.459 USER MOD Set 3.2: A 31 ASN : amide:sc= -7! C(o=-6.5!,f=-5.5!) USER MOD Set 4.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -61:sc= 1.17 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ -131:sc= -1.24 (180deg=-3.23!) USER MOD Single : A -5 THR N :NH3+ -170:sc= -5.54! (180deg=-6.4!) USER MOD Single : A -5 THR OG1 : rot 45:sc= -1.24 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0389) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 16 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.5) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-13!) USER MOD Single : A 40 SER OG : rot -12:sc= 0.05 USER MOD Single : A 42 GLN : amide:sc= -4.51! C(o=-4.5!,f=-4.8!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 26:sc= 0.586 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 49 THR OG1 : rot -110:sc= -0.324 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= -0.57 (180deg=-0.653) USER MOD Single : A 62 ASN : amide:sc= -5.9! C(o=-5.9!,f=-4.4!) USER MOD Single : A 63 ASN : amide:sc= -7.26! C(o=-7.3!,f=-11!) USER MOD Single : A 64 MET CE :methyl -166:sc= -6.2! (180deg=-7.53!) USER MOD Single : A 65 SER OG : rot -161:sc= -1.95! USER MOD Single : A 69 THR OG1 : rot -80:sc= -5.02! USER MOD Single : A 70 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.0322 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 164:sc= -2.02 (180deg=-2.93!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.438 K(o=0.44,f=-7!) USER MOD Single : A 96 THR OG1 : rot 66:sc=-0.00588 USER MOD Single : A 97 TYR OH : rot 180:sc= -2.64 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 70:sc= -1.41! USER MOD Single : A 104 HEC O2D : rot 170:sc= -3.78! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 2.223 -13.506 -7.801 1.00 0.00 N ATOM 2 CA THR A -5 2.972 -13.506 -9.047 1.00 0.00 C ATOM 3 C THR A -5 4.152 -14.475 -8.959 1.00 0.00 C ATOM 4 O THR A -5 4.281 -15.379 -9.784 1.00 0.00 O ATOM 5 CB THR A -5 3.389 -12.066 -9.347 1.00 0.00 C ATOM 6 OG1 THR A -5 2.163 -11.405 -9.650 1.00 0.00 O ATOM 7 CG2 THR A -5 4.203 -11.949 -10.638 1.00 0.00 C ATOM 0 H1 THR A -5 1.336 -12.979 -7.929 1.00 0.00 H new ATOM 0 H2 THR A -5 2.007 -14.485 -7.526 1.00 0.00 H new ATOM 0 H3 THR A -5 2.790 -13.054 -7.055 1.00 0.00 H new ATOM 0 HA THR A -5 2.361 -13.862 -9.877 1.00 0.00 H new ATOM 0 HB THR A -5 3.972 -11.676 -8.513 1.00 0.00 H new ATOM 0 HG1 THR A -5 1.481 -11.665 -8.996 1.00 0.00 H new ATOM 0 HG21 THR A -5 4.474 -10.906 -10.804 1.00 0.00 H new ATOM 0 HG22 THR A -5 5.109 -12.550 -10.553 1.00 0.00 H new ATOM 0 HG23 THR A -5 3.607 -12.308 -11.477 1.00 0.00 H new ATOM 15 N GLU A -4 4.985 -14.255 -7.953 1.00 0.00 N ATOM 16 CA GLU A -4 6.151 -15.097 -7.747 1.00 0.00 C ATOM 17 C GLU A -4 6.019 -15.875 -6.436 1.00 0.00 C ATOM 18 O GLU A -4 6.495 -17.004 -6.329 1.00 0.00 O ATOM 19 CB GLU A -4 7.436 -14.268 -7.766 1.00 0.00 C ATOM 20 CG GLU A -4 8.668 -15.162 -7.606 1.00 0.00 C ATOM 21 CD GLU A -4 9.387 -14.875 -6.287 1.00 0.00 C ATOM 22 OE1 GLU A -4 8.709 -14.963 -5.240 1.00 0.00 O ATOM 23 OE2 GLU A -4 10.598 -14.573 -6.355 1.00 0.00 O ATOM 0 H GLU A -4 4.875 -13.505 -7.271 1.00 0.00 H new ATOM 0 HA GLU A -4 6.208 -15.813 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A -4 7.503 -13.715 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A -4 7.410 -13.532 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A -4 8.368 -16.209 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A -4 9.351 -14.998 -8.440 1.00 0.00 H new ATOM 30 N PHE A -3 5.370 -15.240 -5.471 1.00 0.00 N ATOM 31 CA PHE A -3 5.169 -15.858 -4.171 1.00 0.00 C ATOM 32 C PHE A -3 4.563 -17.255 -4.317 1.00 0.00 C ATOM 33 O PHE A -3 4.401 -17.753 -5.430 1.00 0.00 O ATOM 34 CB PHE A -3 4.192 -14.969 -3.399 1.00 0.00 C ATOM 35 CG PHE A -3 2.812 -14.850 -4.048 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.596 -15.371 -5.286 1.00 0.00 C ATOM 37 CD2 PHE A -3 1.802 -14.224 -3.388 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.315 -15.260 -5.889 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.520 -14.114 -3.990 1.00 0.00 C ATOM 40 CZ PHE A -3 0.304 -14.634 -5.228 1.00 0.00 C ATOM 0 H PHE A -3 4.976 -14.304 -5.563 1.00 0.00 H new ATOM 0 HA PHE A -3 6.124 -15.957 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.075 -15.366 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.623 -13.973 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.398 -15.869 -5.810 1.00 0.00 H new ATOM 0 HD2 PHE A -3 1.974 -13.810 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A -3 1.143 -15.673 -6.872 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -0.283 -13.618 -3.465 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.670 -14.550 -5.686 1.00 0.00 H new ATOM 50 N LYS A -2 4.243 -17.848 -3.176 1.00 0.00 N ATOM 51 CA LYS A -2 3.659 -19.178 -3.161 1.00 0.00 C ATOM 52 C LYS A -2 2.135 -19.061 -3.244 1.00 0.00 C ATOM 53 O LYS A -2 1.419 -20.021 -2.960 1.00 0.00 O ATOM 54 CB LYS A -2 4.150 -19.967 -1.946 1.00 0.00 C ATOM 55 CG LYS A -2 5.004 -21.162 -2.377 1.00 0.00 C ATOM 56 CD LYS A -2 6.494 -20.818 -2.325 1.00 0.00 C ATOM 57 CE LYS A -2 6.974 -20.675 -0.879 1.00 0.00 C ATOM 58 NZ LYS A -2 6.924 -19.258 -0.454 1.00 0.00 N ATOM 0 H LYS A -2 4.377 -17.431 -2.255 1.00 0.00 H new ATOM 0 HA LYS A -2 3.984 -19.747 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A -2 4.733 -19.315 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A -2 3.296 -20.316 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A -2 4.801 -22.013 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A -2 4.731 -21.462 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A -2 7.068 -21.597 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A -2 6.675 -19.889 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A -2 6.350 -21.280 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A -2 7.993 -21.052 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 7.829 -18.995 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 6.753 -18.653 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 6.155 -19.129 0.234 1.00 0.00 H new ATOM 72 N ALA A -1 1.684 -17.878 -3.633 1.00 0.00 N ATOM 73 CA ALA A -1 0.259 -17.624 -3.757 1.00 0.00 C ATOM 74 C ALA A -1 -0.432 -17.966 -2.435 1.00 0.00 C ATOM 75 O ALA A -1 0.181 -18.552 -1.544 1.00 0.00 O ATOM 76 CB ALA A -1 -0.303 -18.425 -4.933 1.00 0.00 C ATOM 0 H ALA A -1 2.281 -17.084 -3.867 1.00 0.00 H new ATOM 0 HA ALA A -1 0.074 -16.570 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -1.372 -18.234 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.200 -18.124 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.138 -19.489 -4.761 1.00 0.00 H new ATOM 82 N GLY A 1 -1.698 -17.585 -2.350 1.00 0.00 N ATOM 83 CA GLY A 1 -2.478 -17.844 -1.152 1.00 0.00 C ATOM 84 C GLY A 1 -3.702 -18.705 -1.471 1.00 0.00 C ATOM 85 O GLY A 1 -3.588 -19.726 -2.148 1.00 0.00 O ATOM 0 H GLY A 1 -2.203 -17.099 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.857 -18.348 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.798 -16.900 -0.711 1.00 0.00 H new ATOM 89 N SER A 2 -4.845 -18.262 -0.968 1.00 0.00 N ATOM 90 CA SER A 2 -6.089 -18.979 -1.191 1.00 0.00 C ATOM 91 C SER A 2 -7.223 -18.317 -0.405 1.00 0.00 C ATOM 92 O SER A 2 -7.822 -18.940 0.470 1.00 0.00 O ATOM 93 CB SER A 2 -5.955 -20.450 -0.792 1.00 0.00 C ATOM 94 OG SER A 2 -7.220 -21.044 -0.509 1.00 0.00 O ATOM 0 H SER A 2 -4.936 -17.415 -0.407 1.00 0.00 H new ATOM 0 HA SER A 2 -6.321 -18.938 -2.255 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.468 -21.001 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.312 -20.531 0.085 1.00 0.00 H new ATOM 0 HG SER A 2 -7.639 -20.578 0.245 1.00 0.00 H new ATOM 100 N ALA A 3 -7.482 -17.064 -0.746 1.00 0.00 N ATOM 101 CA ALA A 3 -8.534 -16.310 -0.084 1.00 0.00 C ATOM 102 C ALA A 3 -8.514 -16.624 1.413 1.00 0.00 C ATOM 103 O ALA A 3 -9.566 -16.729 2.043 1.00 0.00 O ATOM 104 CB ALA A 3 -9.881 -16.637 -0.731 1.00 0.00 C ATOM 0 H ALA A 3 -6.982 -16.551 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.370 -15.239 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.670 -16.072 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.852 -16.369 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.082 -17.704 -0.633 1.00 0.00 H new ATOM 110 N LYS A 4 -7.307 -16.765 1.940 1.00 0.00 N ATOM 111 CA LYS A 4 -7.137 -17.065 3.352 1.00 0.00 C ATOM 112 C LYS A 4 -7.719 -15.922 4.185 1.00 0.00 C ATOM 113 O LYS A 4 -8.756 -15.359 3.836 1.00 0.00 O ATOM 114 CB LYS A 4 -5.669 -17.367 3.662 1.00 0.00 C ATOM 115 CG LYS A 4 -5.547 -18.383 4.800 1.00 0.00 C ATOM 116 CD LYS A 4 -4.468 -19.423 4.492 1.00 0.00 C ATOM 117 CE LYS A 4 -4.795 -20.764 5.152 1.00 0.00 C ATOM 118 NZ LYS A 4 -4.624 -20.675 6.619 1.00 0.00 N ATOM 0 H LYS A 4 -6.437 -16.677 1.415 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.688 -17.967 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.177 -17.754 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.154 -16.446 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.305 -17.867 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.505 -18.881 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.383 -19.556 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.501 -19.065 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.820 -21.052 4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.145 -21.542 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.850 -21.594 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.640 -20.422 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.262 -19.947 6.999 1.00 0.00 H new ATOM 132 N LYS A 5 -7.027 -15.612 5.272 1.00 0.00 N ATOM 133 CA LYS A 5 -7.463 -14.546 6.158 1.00 0.00 C ATOM 134 C LYS A 5 -6.917 -13.210 5.649 1.00 0.00 C ATOM 135 O LYS A 5 -6.141 -12.549 6.338 1.00 0.00 O ATOM 136 CB LYS A 5 -7.073 -14.858 7.604 1.00 0.00 C ATOM 137 CG LYS A 5 -5.552 -14.918 7.761 1.00 0.00 C ATOM 138 CD LYS A 5 -5.060 -16.367 7.789 1.00 0.00 C ATOM 139 CE LYS A 5 -4.332 -16.674 9.099 1.00 0.00 C ATOM 140 NZ LYS A 5 -3.895 -18.087 9.130 1.00 0.00 N ATOM 0 H LYS A 5 -6.168 -16.080 5.559 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.550 -14.469 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.481 -14.095 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.511 -15.809 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.077 -14.385 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.258 -14.412 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.906 -17.044 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.391 -16.544 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.468 -16.018 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.991 -16.472 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.403 -18.279 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.725 -18.709 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.250 -18.268 8.335 1.00 0.00 H new ATOM 154 N GLY A 6 -7.343 -12.853 4.446 1.00 0.00 N ATOM 155 CA GLY A 6 -6.907 -11.608 3.837 1.00 0.00 C ATOM 156 C GLY A 6 -7.874 -10.469 4.165 1.00 0.00 C ATOM 157 O GLY A 6 -7.448 -9.373 4.526 1.00 0.00 O ATOM 0 H GLY A 6 -7.985 -13.404 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.908 -11.355 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.839 -11.732 2.756 1.00 0.00 H new ATOM 161 N ALA A 7 -9.158 -10.767 4.027 1.00 0.00 N ATOM 162 CA ALA A 7 -10.189 -9.781 4.303 1.00 0.00 C ATOM 163 C ALA A 7 -10.020 -9.260 5.732 1.00 0.00 C ATOM 164 O ALA A 7 -9.852 -8.060 5.943 1.00 0.00 O ATOM 165 CB ALA A 7 -11.566 -10.404 4.069 1.00 0.00 C ATOM 0 H ALA A 7 -9.508 -11.677 3.728 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.097 -8.930 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.340 -9.665 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.646 -10.732 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.695 -11.260 4.731 1.00 0.00 H new ATOM 171 N THR A 8 -10.070 -10.189 6.676 1.00 0.00 N ATOM 172 CA THR A 8 -9.925 -9.838 8.079 1.00 0.00 C ATOM 173 C THR A 8 -8.569 -9.172 8.324 1.00 0.00 C ATOM 174 O THR A 8 -8.354 -8.561 9.370 1.00 0.00 O ATOM 175 CB THR A 8 -10.138 -11.106 8.908 1.00 0.00 C ATOM 176 OG1 THR A 8 -11.383 -10.887 9.564 1.00 0.00 O ATOM 177 CG2 THR A 8 -9.131 -11.234 10.053 1.00 0.00 C ATOM 0 H THR A 8 -10.209 -11.184 6.497 1.00 0.00 H new ATOM 0 HA THR A 8 -10.672 -9.105 8.383 1.00 0.00 H new ATOM 0 HB THR A 8 -10.063 -11.979 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.599 -11.663 10.123 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.327 -12.151 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.120 -11.265 9.647 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.228 -10.377 10.720 1.00 0.00 H new ATOM 185 N LEU A 9 -7.690 -9.313 7.343 1.00 0.00 N ATOM 186 CA LEU A 9 -6.362 -8.733 7.440 1.00 0.00 C ATOM 187 C LEU A 9 -6.452 -7.223 7.212 1.00 0.00 C ATOM 188 O LEU A 9 -6.396 -6.443 8.162 1.00 0.00 O ATOM 189 CB LEU A 9 -5.397 -9.442 6.488 1.00 0.00 C ATOM 190 CG LEU A 9 -4.010 -9.759 7.051 1.00 0.00 C ATOM 191 CD1 LEU A 9 -3.622 -11.212 6.768 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.965 -8.773 6.524 1.00 0.00 C ATOM 0 H LEU A 9 -7.872 -9.821 6.477 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.954 -8.881 8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.858 -10.375 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.274 -8.822 5.600 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.046 -9.641 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.632 -11.411 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.348 -11.879 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.609 -11.382 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.988 -9.021 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.923 -8.834 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.239 -7.760 6.820 1.00 0.00 H new ATOM 204 N PHE A 10 -6.589 -6.855 5.946 1.00 0.00 N ATOM 205 CA PHE A 10 -6.687 -5.452 5.581 1.00 0.00 C ATOM 206 C PHE A 10 -7.461 -4.663 6.639 1.00 0.00 C ATOM 207 O PHE A 10 -7.013 -3.606 7.081 1.00 0.00 O ATOM 208 CB PHE A 10 -7.449 -5.387 4.256 1.00 0.00 C ATOM 209 CG PHE A 10 -7.332 -4.042 3.536 1.00 0.00 C ATOM 210 CD1 PHE A 10 -7.635 -2.890 4.194 1.00 0.00 C ATOM 211 CD2 PHE A 10 -6.926 -3.997 2.239 1.00 0.00 C ATOM 212 CE1 PHE A 10 -7.527 -1.642 3.526 1.00 0.00 C ATOM 213 CE2 PHE A 10 -6.818 -2.748 1.572 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.121 -1.597 2.229 1.00 0.00 C ATOM 0 H PHE A 10 -6.634 -7.504 5.161 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.690 -5.018 5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.080 -6.173 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.502 -5.597 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.958 -2.925 5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.686 -4.911 1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.767 -0.728 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.495 -2.712 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.039 -0.647 1.721 1.00 0.00 H new ATOM 224 N LYS A 11 -8.609 -5.207 7.015 1.00 0.00 N ATOM 225 CA LYS A 11 -9.449 -4.567 8.013 1.00 0.00 C ATOM 226 C LYS A 11 -8.564 -3.935 9.089 1.00 0.00 C ATOM 227 O LYS A 11 -8.338 -2.726 9.080 1.00 0.00 O ATOM 228 CB LYS A 11 -10.475 -5.559 8.566 1.00 0.00 C ATOM 229 CG LYS A 11 -11.851 -4.904 8.706 1.00 0.00 C ATOM 230 CD LYS A 11 -12.830 -5.835 9.424 1.00 0.00 C ATOM 231 CE LYS A 11 -13.965 -5.040 10.074 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.499 -4.404 11.327 1.00 0.00 N ATOM 0 H LYS A 11 -8.977 -6.084 6.646 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.029 -3.761 7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.545 -6.422 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.143 -5.928 9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.759 -3.970 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.240 -4.652 7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.243 -6.552 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.301 -6.409 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.325 -4.277 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.806 -5.701 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.315 -4.028 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.008 -5.109 11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.845 -3.628 11.100 1.00 0.00 H new ATOM 246 N THR A 12 -8.087 -4.781 9.991 1.00 0.00 N ATOM 247 CA THR A 12 -7.232 -4.319 11.071 1.00 0.00 C ATOM 248 C THR A 12 -5.759 -4.504 10.700 1.00 0.00 C ATOM 249 O THR A 12 -4.994 -5.099 11.458 1.00 0.00 O ATOM 250 CB THR A 12 -7.636 -5.065 12.345 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.486 -6.440 12.005 1.00 0.00 O ATOM 252 CG2 THR A 12 -9.126 -4.919 12.661 1.00 0.00 C ATOM 0 H THR A 12 -8.277 -5.783 9.996 1.00 0.00 H new ATOM 0 HA THR A 12 -7.359 -3.251 11.248 1.00 0.00 H new ATOM 0 HB THR A 12 -7.049 -4.693 13.185 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.726 -6.996 12.776 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.360 -5.467 13.574 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.367 -3.865 12.799 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.714 -5.321 11.836 1.00 0.00 H new ATOM 260 N ARG A 13 -5.405 -3.981 9.535 1.00 0.00 N ATOM 261 CA ARG A 13 -4.037 -4.080 9.055 1.00 0.00 C ATOM 262 C ARG A 13 -3.695 -2.876 8.176 1.00 0.00 C ATOM 263 O ARG A 13 -2.629 -2.280 8.322 1.00 0.00 O ATOM 264 CB ARG A 13 -3.827 -5.365 8.252 1.00 0.00 C ATOM 265 CG ARG A 13 -3.949 -6.599 9.150 1.00 0.00 C ATOM 266 CD ARG A 13 -2.705 -6.765 10.025 1.00 0.00 C ATOM 267 NE ARG A 13 -2.589 -8.170 10.477 1.00 0.00 N ATOM 268 CZ ARG A 13 -1.737 -8.586 11.423 1.00 0.00 C ATOM 269 NH1 ARG A 13 -0.921 -7.709 12.023 1.00 0.00 N ATOM 270 NH2 ARG A 13 -1.700 -9.880 11.770 1.00 0.00 N ATOM 0 H ARG A 13 -6.042 -3.487 8.910 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.381 -4.097 9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.562 -5.421 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.843 -5.348 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.833 -6.508 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.087 -7.488 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.815 -6.480 9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.765 -6.101 10.887 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.196 -8.864 10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.948 -6.724 11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.272 -8.026 12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.321 -10.548 11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.051 -10.196 12.490 1.00 0.00 H new ATOM 284 N CYS A 14 -4.619 -2.554 7.282 1.00 0.00 N ATOM 285 CA CYS A 14 -4.428 -1.432 6.380 1.00 0.00 C ATOM 286 C CYS A 14 -5.613 -0.478 6.542 1.00 0.00 C ATOM 287 O CYS A 14 -5.433 0.738 6.597 1.00 0.00 O ATOM 288 CB CYS A 14 -4.262 -1.893 4.930 1.00 0.00 C ATOM 289 SG CYS A 14 -3.665 -3.613 4.736 1.00 0.00 S ATOM 0 H CYS A 14 -5.502 -3.051 7.164 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.505 -0.911 6.635 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.221 -1.796 4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.565 -1.222 4.428 1.00 0.00 H new ATOM 294 N LEU A 15 -6.799 -1.065 6.614 1.00 0.00 N ATOM 295 CA LEU A 15 -8.013 -0.282 6.769 1.00 0.00 C ATOM 296 C LEU A 15 -7.796 0.780 7.849 1.00 0.00 C ATOM 297 O LEU A 15 -8.284 1.903 7.728 1.00 0.00 O ATOM 298 CB LEU A 15 -9.209 -1.197 7.038 1.00 0.00 C ATOM 299 CG LEU A 15 -10.477 -0.897 6.236 1.00 0.00 C ATOM 300 CD1 LEU A 15 -10.188 -0.900 4.733 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.602 -1.866 6.605 1.00 0.00 C ATOM 0 H LEU A 15 -6.945 -2.073 6.568 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.246 0.246 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.908 -2.225 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.452 -1.141 8.099 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.817 0.105 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.106 -0.684 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.442 -0.139 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.811 -1.879 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.491 -1.630 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.287 -2.887 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.830 -1.771 7.667 1.00 0.00 H new ATOM 313 N GLN A 16 -7.062 0.388 8.880 1.00 0.00 N ATOM 314 CA GLN A 16 -6.774 1.292 9.981 1.00 0.00 C ATOM 315 C GLN A 16 -6.244 2.625 9.448 1.00 0.00 C ATOM 316 O GLN A 16 -6.318 3.644 10.131 1.00 0.00 O ATOM 317 CB GLN A 16 -5.786 0.662 10.964 1.00 0.00 C ATOM 318 CG GLN A 16 -4.475 0.297 10.265 1.00 0.00 C ATOM 319 CD GLN A 16 -3.336 0.151 11.276 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.581 1.073 11.537 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.255 -1.056 11.830 1.00 0.00 N ATOM 0 H GLN A 16 -6.658 -0.544 8.976 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.701 1.482 10.522 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.586 1.357 11.780 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.227 -0.231 11.407 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.600 -0.636 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.222 1.066 9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.919 -1.784 11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.528 -1.254 12.518 1.00 0.00 H new ATOM 330 N CYS A 17 -5.720 2.573 8.232 1.00 0.00 N ATOM 331 CA CYS A 17 -5.177 3.763 7.599 1.00 0.00 C ATOM 332 C CYS A 17 -5.986 4.044 6.331 1.00 0.00 C ATOM 333 O CYS A 17 -6.473 5.125 5.988 1.00 0.00 O ATOM 334 CB CYS A 17 -3.684 3.615 7.303 1.00 0.00 C ATOM 335 SG CYS A 17 -2.672 3.051 8.721 1.00 0.00 S ATOM 0 H CYS A 17 -5.660 1.725 7.668 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.263 4.611 8.279 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.559 2.909 6.482 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.299 4.575 6.959 1.00 0.00 H new ATOM 340 N HIS A 18 -6.172 2.954 5.504 1.00 0.00 N ATOM 341 CA HIS A 18 -6.592 3.065 4.093 1.00 0.00 C ATOM 342 C HIS A 18 -7.983 2.529 3.790 1.00 0.00 C ATOM 343 O HIS A 18 -8.712 1.981 4.615 1.00 0.00 O ATOM 344 CB HIS A 18 -5.679 2.217 3.195 1.00 0.00 C ATOM 345 CG HIS A 18 -4.202 2.487 3.095 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.683 3.455 2.312 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.133 1.825 3.668 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.438 3.444 2.420 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.005 2.425 3.222 1.00 0.00 N ATOM 0 H HIS A 18 -6.031 1.992 5.813 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.553 4.138 3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.790 1.182 3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.082 2.281 2.184 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.221 4.094 1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.188 0.986 4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.783 4.154 1.938 1.00 0.00 H new ATOM 357 N THR A 19 -8.310 2.741 2.523 1.00 0.00 N ATOM 358 CA THR A 19 -9.602 2.325 2.004 1.00 0.00 C ATOM 359 C THR A 19 -9.483 1.932 0.530 1.00 0.00 C ATOM 360 O THR A 19 -9.308 2.791 -0.333 1.00 0.00 O ATOM 361 CB THR A 19 -10.599 3.459 2.252 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.096 4.540 1.472 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.547 3.980 3.690 1.00 0.00 C ATOM 0 H THR A 19 -7.703 3.195 1.841 1.00 0.00 H new ATOM 0 HA THR A 19 -9.966 1.435 2.517 1.00 0.00 H new ATOM 0 HB THR A 19 -11.608 3.111 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.457 4.198 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.274 4.783 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.783 3.169 4.379 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.548 4.359 3.904 1.00 0.00 H new ATOM 371 N VAL A 20 -9.582 0.634 0.287 1.00 0.00 N ATOM 372 CA VAL A 20 -9.488 0.116 -1.068 1.00 0.00 C ATOM 373 C VAL A 20 -10.622 0.701 -1.912 1.00 0.00 C ATOM 374 O VAL A 20 -10.467 0.894 -3.117 1.00 0.00 O ATOM 375 CB VAL A 20 -9.486 -1.413 -1.045 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.766 -1.953 -0.404 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.296 -1.982 -2.452 1.00 0.00 C ATOM 0 H VAL A 20 -9.726 -0.075 1.006 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.549 0.421 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.643 -1.738 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.739 -3.043 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.842 -1.588 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.630 -1.613 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.298 -3.071 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.109 -1.643 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.345 -1.638 -2.858 1.00 0.00 H new ATOM 387 N GLU A 21 -11.736 0.965 -1.246 1.00 0.00 N ATOM 388 CA GLU A 21 -12.896 1.524 -1.921 1.00 0.00 C ATOM 389 C GLU A 21 -12.503 2.780 -2.701 1.00 0.00 C ATOM 390 O GLU A 21 -11.361 3.231 -2.623 1.00 0.00 O ATOM 391 CB GLU A 21 -14.017 1.825 -0.924 1.00 0.00 C ATOM 392 CG GLU A 21 -13.453 2.379 0.385 1.00 0.00 C ATOM 393 CD GLU A 21 -14.493 3.232 1.114 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.174 4.015 0.417 1.00 0.00 O ATOM 395 OE2 GLU A 21 -14.584 3.081 2.351 1.00 0.00 O ATOM 0 H GLU A 21 -11.861 0.803 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.272 0.785 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.711 2.545 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.584 0.916 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.139 1.556 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.566 2.978 0.178 1.00 0.00 H new ATOM 402 N LYS A 22 -13.471 3.310 -3.434 1.00 0.00 N ATOM 403 CA LYS A 22 -13.240 4.505 -4.227 1.00 0.00 C ATOM 404 C LYS A 22 -13.607 5.739 -3.401 1.00 0.00 C ATOM 405 O LYS A 22 -12.797 6.653 -3.250 1.00 0.00 O ATOM 406 CB LYS A 22 -13.984 4.415 -5.561 1.00 0.00 C ATOM 407 CG LYS A 22 -13.260 5.212 -6.648 1.00 0.00 C ATOM 408 CD LYS A 22 -13.579 4.659 -8.038 1.00 0.00 C ATOM 409 CE LYS A 22 -13.568 5.772 -9.087 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.913 5.939 -9.681 1.00 0.00 N ATOM 0 H LYS A 22 -14.417 2.934 -3.495 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.184 4.594 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.068 3.372 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.999 4.795 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.555 6.260 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.184 5.174 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.849 3.895 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.556 4.176 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.248 6.708 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.846 5.536 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.887 6.699 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.205 5.050 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.594 6.186 -8.935 1.00 0.00 H new ATOM 424 N GLY A 23 -14.828 5.726 -2.886 1.00 0.00 N ATOM 425 CA GLY A 23 -15.311 6.832 -2.078 1.00 0.00 C ATOM 426 C GLY A 23 -14.282 7.229 -1.019 1.00 0.00 C ATOM 427 O GLY A 23 -14.292 8.358 -0.530 1.00 0.00 O ATOM 0 H GLY A 23 -15.497 4.967 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.527 7.687 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.246 6.552 -1.594 1.00 0.00 H new ATOM 431 N GLY A 24 -13.417 6.279 -0.694 1.00 0.00 N ATOM 432 CA GLY A 24 -12.383 6.515 0.299 1.00 0.00 C ATOM 433 C GLY A 24 -11.849 7.945 0.204 1.00 0.00 C ATOM 434 O GLY A 24 -11.100 8.273 -0.715 1.00 0.00 O ATOM 0 H GLY A 24 -13.411 5.344 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.785 6.338 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.566 5.808 0.154 1.00 0.00 H new ATOM 438 N PRO A 25 -12.266 8.781 1.193 1.00 0.00 N ATOM 439 CA PRO A 25 -11.837 10.169 1.230 1.00 0.00 C ATOM 440 C PRO A 25 -10.385 10.282 1.699 1.00 0.00 C ATOM 441 O PRO A 25 -9.802 11.365 1.670 1.00 0.00 O ATOM 442 CB PRO A 25 -12.818 10.859 2.164 1.00 0.00 C ATOM 443 CG PRO A 25 -13.471 9.751 2.974 1.00 0.00 C ATOM 444 CD PRO A 25 -13.153 8.428 2.297 1.00 0.00 C ATOM 0 HA PRO A 25 -11.846 10.638 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.306 11.568 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.562 11.423 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.097 9.755 3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.549 9.903 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.670 7.736 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.058 7.940 1.937 1.00 0.00 H new ATOM 452 N HIS A 26 -9.843 9.149 2.120 1.00 0.00 N ATOM 453 CA HIS A 26 -8.470 9.107 2.595 1.00 0.00 C ATOM 454 C HIS A 26 -8.433 9.438 4.088 1.00 0.00 C ATOM 455 O HIS A 26 -9.108 10.362 4.540 1.00 0.00 O ATOM 456 CB HIS A 26 -7.579 10.029 1.761 1.00 0.00 C ATOM 457 CG HIS A 26 -7.840 9.958 0.276 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.475 8.870 -0.498 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.435 10.849 -0.568 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.838 9.108 -1.751 1.00 0.00 C ATOM 461 NE2 HIS A 26 -8.432 10.335 -1.792 1.00 0.00 N ATOM 0 H HIS A 26 -10.330 8.253 2.142 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.069 8.101 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.723 11.056 2.096 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.536 9.776 1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.840 11.810 -0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.689 8.446 -2.592 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.811 10.784 -2.626 1.00 0.00 H new ATOM 469 N LYS A 27 -7.638 8.665 4.814 1.00 0.00 N ATOM 470 CA LYS A 27 -7.504 8.864 6.247 1.00 0.00 C ATOM 471 C LYS A 27 -6.030 9.087 6.591 1.00 0.00 C ATOM 472 O LYS A 27 -5.527 10.205 6.487 1.00 0.00 O ATOM 473 CB LYS A 27 -8.146 7.705 7.011 1.00 0.00 C ATOM 474 CG LYS A 27 -9.562 8.063 7.464 1.00 0.00 C ATOM 475 CD LYS A 27 -10.287 6.837 8.021 1.00 0.00 C ATOM 476 CE LYS A 27 -10.726 7.070 9.468 1.00 0.00 C ATOM 477 NZ LYS A 27 -11.811 8.074 9.525 1.00 0.00 N ATOM 0 H LYS A 27 -7.080 7.899 4.436 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.043 9.758 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.177 6.819 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.536 7.454 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.518 8.841 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.124 8.471 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.158 6.614 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.630 5.968 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.067 6.132 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.877 7.409 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.097 8.220 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.473 8.973 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.626 7.736 8.975 1.00 0.00 H new ATOM 491 N VAL A 28 -5.379 8.005 6.992 1.00 0.00 N ATOM 492 CA VAL A 28 -3.973 8.068 7.352 1.00 0.00 C ATOM 493 C VAL A 28 -3.120 7.889 6.095 1.00 0.00 C ATOM 494 O VAL A 28 -1.970 8.322 6.053 1.00 0.00 O ATOM 495 CB VAL A 28 -3.663 7.034 8.437 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.162 6.977 8.727 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.458 7.323 9.712 1.00 0.00 C ATOM 0 H VAL A 28 -5.800 7.079 7.076 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.731 9.044 7.773 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.969 6.056 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.969 6.235 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.626 6.702 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.820 7.954 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.220 6.574 10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.197 8.312 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.525 7.289 9.491 1.00 0.00 H new ATOM 507 N GLY A 29 -3.718 7.249 5.100 1.00 0.00 N ATOM 508 CA GLY A 29 -3.028 7.007 3.844 1.00 0.00 C ATOM 509 C GLY A 29 -3.968 7.210 2.654 1.00 0.00 C ATOM 510 O GLY A 29 -5.179 7.331 2.829 1.00 0.00 O ATOM 0 H GLY A 29 -4.672 6.891 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.176 7.681 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.634 5.991 3.831 1.00 0.00 H new ATOM 514 N PRO A 30 -3.358 7.241 1.439 1.00 0.00 N ATOM 515 CA PRO A 30 -4.126 7.427 0.220 1.00 0.00 C ATOM 516 C PRO A 30 -4.881 6.149 -0.153 1.00 0.00 C ATOM 517 O PRO A 30 -4.604 5.080 0.389 1.00 0.00 O ATOM 518 CB PRO A 30 -3.108 7.842 -0.828 1.00 0.00 C ATOM 519 CG PRO A 30 -1.752 7.425 -0.281 1.00 0.00 C ATOM 520 CD PRO A 30 -1.925 7.100 1.194 1.00 0.00 C ATOM 0 HA PRO A 30 -4.902 8.185 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.310 7.356 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.144 8.917 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.373 6.558 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.024 8.226 -0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.582 6.090 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.347 7.780 1.820 1.00 0.00 H new ATOM 528 N ASN A 31 -5.819 6.302 -1.075 1.00 0.00 N ATOM 529 CA ASN A 31 -6.615 5.173 -1.527 1.00 0.00 C ATOM 530 C ASN A 31 -5.780 4.313 -2.478 1.00 0.00 C ATOM 531 O ASN A 31 -5.011 4.838 -3.282 1.00 0.00 O ATOM 532 CB ASN A 31 -7.858 5.644 -2.284 1.00 0.00 C ATOM 533 CG ASN A 31 -9.013 4.655 -2.112 1.00 0.00 C ATOM 534 OD1 ASN A 31 -8.978 3.531 -2.586 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.035 5.134 -1.409 1.00 0.00 N ATOM 0 H ASN A 31 -6.046 7.190 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.921 4.604 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.159 6.627 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.623 5.754 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.854 4.551 -1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.000 6.084 -1.040 1.00 0.00 H new ATOM 542 N LEU A 32 -5.960 3.006 -2.355 1.00 0.00 N ATOM 543 CA LEU A 32 -5.232 2.069 -3.194 1.00 0.00 C ATOM 544 C LEU A 32 -6.091 1.703 -4.406 1.00 0.00 C ATOM 545 O LEU A 32 -5.710 1.968 -5.544 1.00 0.00 O ATOM 546 CB LEU A 32 -4.777 0.859 -2.375 1.00 0.00 C ATOM 547 CG LEU A 32 -3.844 1.158 -1.199 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.286 -0.134 -0.600 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.733 2.125 -1.612 1.00 0.00 C ATOM 0 H LEU A 32 -6.599 2.574 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.320 2.528 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.662 0.351 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.274 0.161 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.425 1.650 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.626 0.107 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.108 -0.755 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.725 -0.676 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.085 2.320 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.148 1.684 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.174 3.061 -1.954 1.00 0.00 H new ATOM 561 N HIS A 33 -7.235 1.098 -4.119 1.00 0.00 N ATOM 562 CA HIS A 33 -8.151 0.693 -5.171 1.00 0.00 C ATOM 563 C HIS A 33 -7.514 -0.420 -6.006 1.00 0.00 C ATOM 564 O HIS A 33 -6.756 -1.236 -5.484 1.00 0.00 O ATOM 565 CB HIS A 33 -8.577 1.896 -6.014 1.00 0.00 C ATOM 566 CG HIS A 33 -10.045 1.909 -6.368 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.690 0.821 -6.930 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.986 2.888 -6.234 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.962 1.142 -7.122 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.142 2.424 -6.690 1.00 0.00 N ATOM 0 H HIS A 33 -7.548 0.879 -3.173 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.063 0.292 -4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.337 2.810 -5.471 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.992 1.908 -6.934 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.260 -0.075 -7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.818 3.874 -5.826 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.722 0.502 -7.546 1.00 0.00 H new ATOM 578 N GLY A 34 -7.845 -0.417 -7.289 1.00 0.00 N ATOM 579 CA GLY A 34 -7.314 -1.415 -8.201 1.00 0.00 C ATOM 580 C GLY A 34 -5.887 -1.065 -8.628 1.00 0.00 C ATOM 581 O GLY A 34 -5.617 -0.883 -9.815 1.00 0.00 O ATOM 0 H GLY A 34 -8.475 0.261 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.324 -2.393 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.954 -1.485 -9.081 1.00 0.00 H new ATOM 585 N ILE A 35 -5.011 -0.982 -7.638 1.00 0.00 N ATOM 586 CA ILE A 35 -3.618 -0.657 -7.896 1.00 0.00 C ATOM 587 C ILE A 35 -3.015 -1.717 -8.821 1.00 0.00 C ATOM 588 O ILE A 35 -3.695 -2.234 -9.705 1.00 0.00 O ATOM 589 CB ILE A 35 -2.856 -0.482 -6.581 1.00 0.00 C ATOM 590 CG1 ILE A 35 -2.632 -1.831 -5.894 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.566 0.517 -5.665 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.576 -2.002 -4.702 1.00 0.00 C ATOM 0 H ILE A 35 -5.238 -1.134 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.539 0.300 -8.412 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.873 -0.069 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.793 -2.638 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.598 -1.905 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.004 0.623 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.631 1.485 -6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.570 0.156 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.396 -2.969 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.396 -1.207 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.609 -1.952 -5.046 1.00 0.00 H new ATOM 604 N PHE A 36 -1.744 -2.008 -8.584 1.00 0.00 N ATOM 605 CA PHE A 36 -1.041 -2.996 -9.384 1.00 0.00 C ATOM 606 C PHE A 36 -1.146 -2.670 -10.875 1.00 0.00 C ATOM 607 O PHE A 36 -2.202 -2.847 -11.481 1.00 0.00 O ATOM 608 CB PHE A 36 -1.714 -4.345 -9.121 1.00 0.00 C ATOM 609 CG PHE A 36 -1.668 -4.789 -7.658 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.498 -4.731 -6.966 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.796 -5.242 -7.049 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.455 -5.143 -5.608 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.753 -5.654 -5.690 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.583 -5.596 -4.999 1.00 0.00 C ATOM 0 H PHE A 36 -1.183 -1.577 -7.849 1.00 0.00 H new ATOM 0 HA PHE A 36 0.015 -3.008 -9.116 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.755 -4.288 -9.440 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.233 -5.105 -9.736 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.398 -4.372 -7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.725 -5.289 -7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.474 -5.097 -5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.649 -6.013 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.550 -5.910 -3.966 1.00 0.00 H new ATOM 624 N GLY A 37 -0.036 -2.198 -11.424 1.00 0.00 N ATOM 625 CA GLY A 37 0.011 -1.844 -12.832 1.00 0.00 C ATOM 626 C GLY A 37 0.373 -0.369 -13.016 1.00 0.00 C ATOM 627 O GLY A 37 0.975 0.005 -14.021 1.00 0.00 O ATOM 0 H GLY A 37 0.838 -2.053 -10.918 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.744 -2.468 -13.343 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.956 -2.045 -13.293 1.00 0.00 H new ATOM 631 N ARG A 38 -0.009 0.428 -12.029 1.00 0.00 N ATOM 632 CA ARG A 38 0.268 1.854 -12.070 1.00 0.00 C ATOM 633 C ARG A 38 1.629 2.148 -11.436 1.00 0.00 C ATOM 634 O ARG A 38 2.248 1.263 -10.847 1.00 0.00 O ATOM 635 CB ARG A 38 -0.813 2.646 -11.331 1.00 0.00 C ATOM 636 CG ARG A 38 -1.850 3.201 -12.308 1.00 0.00 C ATOM 637 CD ARG A 38 -1.309 4.429 -13.044 1.00 0.00 C ATOM 638 NE ARG A 38 -2.188 4.763 -14.187 1.00 0.00 N ATOM 639 CZ ARG A 38 -3.285 5.527 -14.092 1.00 0.00 C ATOM 640 NH1 ARG A 38 -3.643 6.041 -12.908 1.00 0.00 N ATOM 641 NH2 ARG A 38 -4.023 5.778 -15.182 1.00 0.00 N ATOM 0 H ARG A 38 -0.508 0.114 -11.197 1.00 0.00 H new ATOM 0 HA ARG A 38 0.276 2.161 -13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.304 2.003 -10.600 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.354 3.465 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.123 2.431 -13.030 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.758 3.468 -11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.250 5.276 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.297 4.234 -13.398 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.944 4.389 -15.104 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.081 5.851 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.478 6.622 -12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.750 5.388 -16.084 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.858 6.359 -15.110 1.00 0.00 H new ATOM 655 N HIS A 39 2.056 3.394 -11.579 1.00 0.00 N ATOM 656 CA HIS A 39 3.332 3.816 -11.028 1.00 0.00 C ATOM 657 C HIS A 39 3.112 4.459 -9.657 1.00 0.00 C ATOM 658 O HIS A 39 2.513 5.529 -9.558 1.00 0.00 O ATOM 659 CB HIS A 39 4.067 4.737 -12.004 1.00 0.00 C ATOM 660 CG HIS A 39 4.587 4.037 -13.236 1.00 0.00 C ATOM 661 ND1 HIS A 39 3.877 3.983 -14.424 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.753 3.363 -13.454 1.00 0.00 C ATOM 663 CE1 HIS A 39 4.593 3.304 -15.308 1.00 0.00 C ATOM 664 NE2 HIS A 39 5.754 2.920 -14.705 1.00 0.00 N ATOM 0 H HIS A 39 1.540 4.125 -12.069 1.00 0.00 H new ATOM 0 HA HIS A 39 3.975 2.948 -10.884 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.393 5.537 -12.310 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.903 5.206 -11.485 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.542 3.215 -12.731 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.307 3.092 -16.328 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.501 2.381 -15.143 1.00 0.00 H new ATOM 672 N SER A 40 3.609 3.780 -8.634 1.00 0.00 N ATOM 673 CA SER A 40 3.475 4.272 -7.273 1.00 0.00 C ATOM 674 C SER A 40 2.120 4.961 -7.098 1.00 0.00 C ATOM 675 O SER A 40 1.162 4.643 -7.800 1.00 0.00 O ATOM 676 CB SER A 40 4.610 5.235 -6.921 1.00 0.00 C ATOM 677 OG SER A 40 4.471 6.489 -7.584 1.00 0.00 O ATOM 0 H SER A 40 4.105 2.893 -8.720 1.00 0.00 H new ATOM 0 HA SER A 40 3.534 3.421 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.629 5.395 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.565 4.785 -7.193 1.00 0.00 H new ATOM 0 HG SER A 40 3.784 6.417 -8.280 1.00 0.00 H new ATOM 683 N GLY A 41 2.083 5.892 -6.156 1.00 0.00 N ATOM 684 CA GLY A 41 0.862 6.629 -5.879 1.00 0.00 C ATOM 685 C GLY A 41 0.066 6.872 -7.162 1.00 0.00 C ATOM 686 O GLY A 41 0.639 6.950 -8.248 1.00 0.00 O ATOM 0 H GLY A 41 2.880 6.153 -5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.251 6.074 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.107 7.583 -5.412 1.00 0.00 H new ATOM 690 N GLN A 42 -1.244 6.986 -6.995 1.00 0.00 N ATOM 691 CA GLN A 42 -2.125 7.218 -8.127 1.00 0.00 C ATOM 692 C GLN A 42 -3.242 8.190 -7.739 1.00 0.00 C ATOM 693 O GLN A 42 -4.333 8.144 -8.304 1.00 0.00 O ATOM 694 CB GLN A 42 -2.701 5.902 -8.653 1.00 0.00 C ATOM 695 CG GLN A 42 -1.624 4.817 -8.714 1.00 0.00 C ATOM 696 CD GLN A 42 -2.251 3.431 -8.871 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.332 3.267 -9.412 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.515 2.444 -8.368 1.00 0.00 N ATOM 0 H GLN A 42 -1.716 6.922 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.542 7.667 -8.931 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.516 5.574 -8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.123 6.057 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.952 5.013 -9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.021 4.847 -7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.618 2.650 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.847 1.481 -8.423 1.00 0.00 H new ATOM 707 N ALA A 43 -2.930 9.047 -6.778 1.00 0.00 N ATOM 708 CA ALA A 43 -3.893 10.027 -6.308 1.00 0.00 C ATOM 709 C ALA A 43 -3.275 11.424 -6.393 1.00 0.00 C ATOM 710 O ALA A 43 -2.191 11.661 -5.863 1.00 0.00 O ATOM 711 CB ALA A 43 -4.334 9.670 -4.887 1.00 0.00 C ATOM 0 H ALA A 43 -2.023 9.083 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.784 10.021 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.057 10.406 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.793 8.681 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.467 9.668 -4.227 1.00 0.00 H new ATOM 717 N GLU A 44 -3.992 12.314 -7.064 1.00 0.00 N ATOM 718 CA GLU A 44 -3.528 13.681 -7.225 1.00 0.00 C ATOM 719 C GLU A 44 -4.250 14.606 -6.244 1.00 0.00 C ATOM 720 O GLU A 44 -3.625 15.457 -5.612 1.00 0.00 O ATOM 721 CB GLU A 44 -3.715 14.158 -8.667 1.00 0.00 C ATOM 722 CG GLU A 44 -2.421 14.005 -9.468 1.00 0.00 C ATOM 723 CD GLU A 44 -1.465 15.167 -9.191 1.00 0.00 C ATOM 724 OE1 GLU A 44 -1.898 16.320 -9.402 1.00 0.00 O ATOM 725 OE2 GLU A 44 -0.322 14.875 -8.776 1.00 0.00 O ATOM 0 H GLU A 44 -4.891 12.114 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.461 13.710 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.511 13.585 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.028 15.202 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.938 13.063 -9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.651 13.964 -10.533 1.00 0.00 H new ATOM 732 N GLY A 45 -5.557 14.410 -6.147 1.00 0.00 N ATOM 733 CA GLY A 45 -6.371 15.216 -5.253 1.00 0.00 C ATOM 734 C GLY A 45 -5.790 15.221 -3.838 1.00 0.00 C ATOM 735 O GLY A 45 -5.724 16.267 -3.194 1.00 0.00 O ATOM 0 H GLY A 45 -6.073 13.704 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.429 16.237 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.389 14.826 -5.231 1.00 0.00 H new ATOM 739 N TYR A 46 -5.384 14.041 -3.395 1.00 0.00 N ATOM 740 CA TYR A 46 -4.811 13.896 -2.067 1.00 0.00 C ATOM 741 C TYR A 46 -3.300 14.133 -2.094 1.00 0.00 C ATOM 742 O TYR A 46 -2.603 13.621 -2.969 1.00 0.00 O ATOM 743 CB TYR A 46 -5.081 12.450 -1.646 1.00 0.00 C ATOM 744 CG TYR A 46 -4.586 12.109 -0.239 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.233 12.025 0.015 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.494 11.885 0.776 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.767 11.704 1.339 1.00 0.00 C ATOM 748 CE2 TYR A 46 -5.029 11.564 2.100 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.688 11.489 2.317 1.00 0.00 C ATOM 750 OH TYR A 46 -3.249 11.186 3.567 1.00 0.00 O ATOM 0 H TYR A 46 -5.440 13.176 -3.932 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.248 14.620 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.153 12.261 -1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.604 11.779 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.523 12.200 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.553 11.951 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.710 11.635 1.551 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.729 11.387 2.903 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.017 11.060 4.162 1.00 0.00 H new ATOM 760 N SER A 47 -2.837 14.909 -1.124 1.00 0.00 N ATOM 761 CA SER A 47 -1.421 15.220 -1.026 1.00 0.00 C ATOM 762 C SER A 47 -0.637 13.969 -0.626 1.00 0.00 C ATOM 763 O SER A 47 -0.882 13.391 0.432 1.00 0.00 O ATOM 764 CB SER A 47 -1.174 16.346 -0.020 1.00 0.00 C ATOM 765 OG SER A 47 -1.443 15.935 1.318 1.00 0.00 O ATOM 0 H SER A 47 -3.418 15.331 -0.399 1.00 0.00 H new ATOM 0 HA SER A 47 -1.076 15.559 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.139 16.679 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.803 17.200 -0.270 1.00 0.00 H new ATOM 0 HG SER A 47 -1.330 14.964 1.391 1.00 0.00 H new ATOM 771 N TYR A 48 0.289 13.587 -1.493 1.00 0.00 N ATOM 772 CA TYR A 48 1.110 12.414 -1.243 1.00 0.00 C ATOM 773 C TYR A 48 2.469 12.811 -0.664 1.00 0.00 C ATOM 774 O TYR A 48 2.656 13.946 -0.231 1.00 0.00 O ATOM 775 CB TYR A 48 1.323 11.751 -2.605 1.00 0.00 C ATOM 776 CG TYR A 48 0.447 10.519 -2.841 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.928 10.631 -2.798 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.032 9.295 -3.096 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.752 9.471 -3.020 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.207 8.135 -3.318 1.00 0.00 C ATOM 781 CZ TYR A 48 -1.144 8.281 -3.268 1.00 0.00 C ATOM 782 OH TYR A 48 -1.923 7.185 -3.478 1.00 0.00 O ATOM 0 H TYR A 48 0.489 14.069 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 48 0.625 11.751 -0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.123 12.482 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.370 11.463 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.386 11.588 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.108 9.207 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.829 9.545 -2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.651 7.172 -3.520 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.353 6.405 -3.644 1.00 0.00 H new ATOM 792 N THR A 49 3.384 11.852 -0.675 1.00 0.00 N ATOM 793 CA THR A 49 4.721 12.086 -0.157 1.00 0.00 C ATOM 794 C THR A 49 5.698 12.352 -1.303 1.00 0.00 C ATOM 795 O THR A 49 5.430 11.993 -2.449 1.00 0.00 O ATOM 796 CB THR A 49 5.110 10.885 0.708 1.00 0.00 C ATOM 797 OG1 THR A 49 5.089 9.785 -0.197 1.00 0.00 O ATOM 798 CG2 THR A 49 4.038 10.537 1.742 1.00 0.00 C ATOM 0 H THR A 49 3.225 10.911 -1.035 1.00 0.00 H new ATOM 0 HA THR A 49 4.752 12.978 0.468 1.00 0.00 H new ATOM 0 HB THR A 49 6.051 11.094 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.332 9.200 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.364 9.678 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.880 11.389 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.105 10.295 1.232 1.00 0.00 H new ATOM 806 N ASP A 50 6.812 12.979 -0.955 1.00 0.00 N ATOM 807 CA ASP A 50 7.831 13.297 -1.941 1.00 0.00 C ATOM 808 C ASP A 50 8.851 12.159 -1.999 1.00 0.00 C ATOM 809 O ASP A 50 9.985 12.358 -2.432 1.00 0.00 O ATOM 810 CB ASP A 50 8.576 14.581 -1.568 1.00 0.00 C ATOM 811 CG ASP A 50 8.377 15.748 -2.536 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.371 15.706 -3.277 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.235 16.657 -2.514 1.00 0.00 O ATOM 0 H ASP A 50 7.031 13.275 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 50 7.338 13.432 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.255 14.894 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.641 14.359 -1.504 1.00 0.00 H new ATOM 818 N ALA A 51 8.412 10.990 -1.556 1.00 0.00 N ATOM 819 CA ALA A 51 9.273 9.819 -1.552 1.00 0.00 C ATOM 820 C ALA A 51 8.633 8.719 -2.401 1.00 0.00 C ATOM 821 O ALA A 51 9.262 8.192 -3.318 1.00 0.00 O ATOM 822 CB ALA A 51 9.522 9.373 -0.110 1.00 0.00 C ATOM 0 H ALA A 51 7.471 10.828 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 51 10.242 10.053 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.168 8.495 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.004 10.180 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.572 9.126 0.364 1.00 0.00 H new ATOM 828 N ASN A 52 7.391 8.403 -2.064 1.00 0.00 N ATOM 829 CA ASN A 52 6.659 7.374 -2.784 1.00 0.00 C ATOM 830 C ASN A 52 6.529 7.781 -4.253 1.00 0.00 C ATOM 831 O ASN A 52 7.147 7.174 -5.126 1.00 0.00 O ATOM 832 CB ASN A 52 5.250 7.201 -2.215 1.00 0.00 C ATOM 833 CG ASN A 52 4.871 5.720 -2.130 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.745 5.027 -3.126 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.699 5.277 -0.888 1.00 0.00 N ATOM 0 H ASN A 52 6.873 8.841 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 52 7.206 6.437 -2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.196 7.651 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.533 7.728 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.446 4.303 -0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.820 5.912 -0.099 1.00 0.00 H new ATOM 842 N ILE A 53 5.720 8.805 -4.481 1.00 0.00 N ATOM 843 CA ILE A 53 5.500 9.300 -5.830 1.00 0.00 C ATOM 844 C ILE A 53 6.841 9.386 -6.561 1.00 0.00 C ATOM 845 O ILE A 53 6.909 9.159 -7.769 1.00 0.00 O ATOM 846 CB ILE A 53 4.732 10.623 -5.797 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.230 10.381 -5.631 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.044 11.469 -7.033 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.497 11.685 -5.312 1.00 0.00 C ATOM 0 H ILE A 53 5.209 9.306 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 53 4.873 8.608 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 53 5.064 11.190 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.825 9.946 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.060 9.659 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.485 12.404 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.112 11.686 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.757 10.921 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.431 11.485 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.888 12.105 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.649 12.396 -6.124 1.00 0.00 H new ATOM 861 N LYS A 54 7.875 9.713 -5.800 1.00 0.00 N ATOM 862 CA LYS A 54 9.210 9.832 -6.361 1.00 0.00 C ATOM 863 C LYS A 54 9.870 8.452 -6.390 1.00 0.00 C ATOM 864 O LYS A 54 11.022 8.302 -5.986 1.00 0.00 O ATOM 865 CB LYS A 54 10.019 10.885 -5.601 1.00 0.00 C ATOM 866 CG LYS A 54 9.312 12.241 -5.625 1.00 0.00 C ATOM 867 CD LYS A 54 9.681 13.030 -6.883 1.00 0.00 C ATOM 868 CE LYS A 54 9.170 14.470 -6.797 1.00 0.00 C ATOM 869 NZ LYS A 54 10.272 15.426 -7.045 1.00 0.00 N ATOM 0 H LYS A 54 7.815 9.899 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 54 9.161 10.185 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.163 10.564 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.009 10.979 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.233 12.093 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.586 12.814 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.763 13.032 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.257 12.542 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.375 14.624 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.738 14.651 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.909 16.398 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.017 15.289 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.666 15.263 -7.994 1.00 0.00 H new ATOM 883 N LYS A 55 9.112 7.478 -6.872 1.00 0.00 N ATOM 884 CA LYS A 55 9.609 6.116 -6.959 1.00 0.00 C ATOM 885 C LYS A 55 9.113 5.478 -8.259 1.00 0.00 C ATOM 886 O LYS A 55 9.889 4.862 -8.988 1.00 0.00 O ATOM 887 CB LYS A 55 9.232 5.326 -5.704 1.00 0.00 C ATOM 888 CG LYS A 55 10.240 4.206 -5.437 1.00 0.00 C ATOM 889 CD LYS A 55 11.515 4.756 -4.796 1.00 0.00 C ATOM 890 CE LYS A 55 12.761 4.218 -5.502 1.00 0.00 C ATOM 891 NZ LYS A 55 12.824 4.716 -6.894 1.00 0.00 N ATOM 0 H LYS A 55 8.157 7.605 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 55 10.698 6.110 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.193 5.997 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.235 4.902 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.793 3.458 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.487 3.704 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.509 5.845 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.543 4.482 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.655 4.525 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.745 3.128 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.751 4.484 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.074 4.267 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.691 5.747 -6.900 1.00 0.00 H new ATOM 905 N ASN A 56 7.823 5.648 -8.509 1.00 0.00 N ATOM 906 CA ASN A 56 7.214 5.097 -9.707 1.00 0.00 C ATOM 907 C ASN A 56 7.283 3.570 -9.653 1.00 0.00 C ATOM 908 O ASN A 56 7.332 2.910 -10.690 1.00 0.00 O ATOM 909 CB ASN A 56 7.955 5.559 -10.964 1.00 0.00 C ATOM 910 CG ASN A 56 7.004 6.262 -11.934 1.00 0.00 C ATOM 911 OD1 ASN A 56 6.842 5.871 -13.078 1.00 0.00 O ATOM 912 ND2 ASN A 56 6.386 7.319 -11.415 1.00 0.00 N ATOM 0 H ASN A 56 7.183 6.160 -7.902 1.00 0.00 H new ATOM 0 HA ASN A 56 6.181 5.442 -9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.763 6.236 -10.686 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.413 4.701 -11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.731 7.856 -11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.567 7.592 -10.449 1.00 0.00 H new ATOM 919 N VAL A 57 7.283 3.052 -8.433 1.00 0.00 N ATOM 920 CA VAL A 57 7.345 1.615 -8.230 1.00 0.00 C ATOM 921 C VAL A 57 6.093 0.966 -8.825 1.00 0.00 C ATOM 922 O VAL A 57 5.063 0.870 -8.160 1.00 0.00 O ATOM 923 CB VAL A 57 7.530 1.304 -6.743 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.234 1.549 -5.967 1.00 0.00 C ATOM 925 CG2 VAL A 57 8.028 -0.128 -6.541 1.00 0.00 C ATOM 0 H VAL A 57 7.241 3.602 -7.575 1.00 0.00 H new ATOM 0 HA VAL A 57 8.207 1.193 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 57 8.289 1.981 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.392 1.321 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.939 2.593 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.446 0.908 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.151 -0.323 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.303 -0.827 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.985 -0.255 -7.046 1.00 0.00 H new ATOM 935 N LEU A 58 6.224 0.538 -10.072 1.00 0.00 N ATOM 936 CA LEU A 58 5.116 -0.098 -10.765 1.00 0.00 C ATOM 937 C LEU A 58 4.597 -1.265 -9.922 1.00 0.00 C ATOM 938 O LEU A 58 5.268 -2.288 -9.791 1.00 0.00 O ATOM 939 CB LEU A 58 5.530 -0.499 -12.182 1.00 0.00 C ATOM 940 CG LEU A 58 4.418 -0.489 -13.234 1.00 0.00 C ATOM 941 CD1 LEU A 58 3.825 0.913 -13.390 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.918 -1.052 -14.565 1.00 0.00 C ATOM 0 H LEU A 58 7.080 0.619 -10.620 1.00 0.00 H new ATOM 0 HA LEU A 58 4.289 0.602 -10.886 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.321 0.174 -12.512 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.958 -1.501 -12.144 1.00 0.00 H new ATOM 0 HG LEU A 58 3.615 -1.142 -12.890 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.037 0.893 -14.143 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.408 1.240 -12.437 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.607 1.606 -13.701 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.109 -1.034 -15.295 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.748 -0.445 -14.928 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.255 -2.079 -14.422 1.00 0.00 H new ATOM 954 N TRP A 59 3.406 -1.074 -9.373 1.00 0.00 N ATOM 955 CA TRP A 59 2.790 -2.097 -8.547 1.00 0.00 C ATOM 956 C TRP A 59 2.367 -3.250 -9.460 1.00 0.00 C ATOM 957 O TRP A 59 2.180 -3.059 -10.661 1.00 0.00 O ATOM 958 CB TRP A 59 1.628 -1.521 -7.736 1.00 0.00 C ATOM 959 CG TRP A 59 1.995 -0.280 -6.919 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.467 0.949 -7.005 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.997 -0.197 -5.884 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.053 1.815 -6.104 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.013 1.096 -5.401 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.860 -1.181 -5.373 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.874 1.522 -4.382 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.715 -0.739 -4.356 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.744 0.559 -3.858 1.00 0.00 C ATOM 0 H TRP A 59 2.852 -0.225 -9.485 1.00 0.00 H new ATOM 0 HA TRP A 59 3.499 -2.477 -7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.814 -1.269 -8.415 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.253 -2.290 -7.061 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.682 1.227 -7.693 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.824 2.801 -5.977 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.864 -2.198 -5.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.867 2.539 -4.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.400 -1.456 -3.928 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.435 0.823 -3.071 1.00 0.00 H new ATOM 978 N ASP A 60 2.228 -4.421 -8.856 1.00 0.00 N ATOM 979 CA ASP A 60 1.831 -5.605 -9.599 1.00 0.00 C ATOM 980 C ASP A 60 1.443 -6.712 -8.617 1.00 0.00 C ATOM 981 O ASP A 60 0.287 -7.130 -8.573 1.00 0.00 O ATOM 982 CB ASP A 60 2.981 -6.122 -10.466 1.00 0.00 C ATOM 983 CG ASP A 60 2.564 -7.062 -11.599 1.00 0.00 C ATOM 984 OD1 ASP A 60 1.387 -6.968 -12.010 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.432 -7.853 -12.029 1.00 0.00 O ATOM 0 H ASP A 60 2.383 -4.575 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 60 0.990 -5.336 -10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.504 -5.268 -10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.693 -6.642 -9.826 1.00 0.00 H new ATOM 990 N GLU A 61 2.432 -7.156 -7.855 1.00 0.00 N ATOM 991 CA GLU A 61 2.208 -8.206 -6.876 1.00 0.00 C ATOM 992 C GLU A 61 3.399 -8.303 -5.920 1.00 0.00 C ATOM 993 O GLU A 61 3.331 -7.825 -4.789 1.00 0.00 O ATOM 994 CB GLU A 61 1.946 -9.548 -7.563 1.00 0.00 C ATOM 995 CG GLU A 61 2.018 -10.701 -6.560 1.00 0.00 C ATOM 996 CD GLU A 61 0.757 -11.565 -6.626 1.00 0.00 C ATOM 997 OE1 GLU A 61 0.191 -11.659 -7.737 1.00 0.00 O ATOM 998 OE2 GLU A 61 0.386 -12.111 -5.564 1.00 0.00 O ATOM 0 H GLU A 61 3.390 -6.808 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 61 1.321 -7.952 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.964 -9.533 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.678 -9.704 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.895 -11.314 -6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.139 -10.304 -5.552 1.00 0.00 H new ATOM 1005 N ASN A 62 4.461 -8.925 -6.410 1.00 0.00 N ATOM 1006 CA ASN A 62 5.665 -9.091 -5.613 1.00 0.00 C ATOM 1007 C ASN A 62 6.174 -7.716 -5.175 1.00 0.00 C ATOM 1008 O ASN A 62 6.344 -7.464 -3.983 1.00 0.00 O ATOM 1009 CB ASN A 62 6.772 -9.769 -6.422 1.00 0.00 C ATOM 1010 CG ASN A 62 6.418 -11.227 -6.721 1.00 0.00 C ATOM 1011 OD1 ASN A 62 6.252 -12.047 -5.833 1.00 0.00 O ATOM 1012 ND2 ASN A 62 6.312 -11.504 -8.017 1.00 0.00 N ATOM 0 H ASN A 62 4.513 -9.320 -7.349 1.00 0.00 H new ATOM 0 HA ASN A 62 5.417 -9.711 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.927 -9.230 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.710 -9.725 -5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.079 -12.450 -8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.464 -10.770 -8.709 1.00 0.00 H new ATOM 1019 N ASN A 63 6.404 -6.863 -6.162 1.00 0.00 N ATOM 1020 CA ASN A 63 6.891 -5.521 -5.894 1.00 0.00 C ATOM 1021 C ASN A 63 6.157 -4.951 -4.678 1.00 0.00 C ATOM 1022 O ASN A 63 6.760 -4.743 -3.626 1.00 0.00 O ATOM 1023 CB ASN A 63 6.630 -4.592 -7.081 1.00 0.00 C ATOM 1024 CG ASN A 63 6.729 -3.124 -6.662 1.00 0.00 C ATOM 1025 OD1 ASN A 63 7.428 -2.764 -5.729 1.00 0.00 O ATOM 1026 ND2 ASN A 63 5.992 -2.300 -7.401 1.00 0.00 N ATOM 0 H ASN A 63 6.262 -7.076 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 63 7.964 -5.582 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.350 -4.797 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.640 -4.790 -7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.989 -1.300 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.429 -2.668 -8.168 1.00 0.00 H new ATOM 1033 N MET A 64 4.867 -4.714 -4.863 1.00 0.00 N ATOM 1034 CA MET A 64 4.044 -4.172 -3.795 1.00 0.00 C ATOM 1035 C MET A 64 4.437 -4.772 -2.443 1.00 0.00 C ATOM 1036 O MET A 64 4.775 -4.044 -1.511 1.00 0.00 O ATOM 1037 CB MET A 64 2.572 -4.475 -4.080 1.00 0.00 C ATOM 1038 CG MET A 64 1.712 -4.235 -2.837 1.00 0.00 C ATOM 1039 SD MET A 64 0.300 -3.227 -3.257 1.00 0.00 S ATOM 1040 CE MET A 64 1.131 -1.767 -3.862 1.00 0.00 C ATOM 0 H MET A 64 4.371 -4.887 -5.737 1.00 0.00 H new ATOM 0 HA MET A 64 4.200 -3.094 -3.753 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.219 -3.846 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.466 -5.510 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.379 -5.188 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.304 -3.743 -2.065 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.418 -0.946 -3.934 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.931 -1.493 -3.175 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.552 -1.970 -4.847 1.00 0.00 H new ATOM 1050 N SER A 65 4.378 -6.094 -2.379 1.00 0.00 N ATOM 1051 CA SER A 65 4.723 -6.800 -1.156 1.00 0.00 C ATOM 1052 C SER A 65 6.140 -6.426 -0.718 1.00 0.00 C ATOM 1053 O SER A 65 6.404 -6.267 0.473 1.00 0.00 O ATOM 1054 CB SER A 65 4.608 -8.314 -1.344 1.00 0.00 C ATOM 1055 OG SER A 65 4.280 -8.979 -0.127 1.00 0.00 O ATOM 0 H SER A 65 4.097 -6.695 -3.154 1.00 0.00 H new ATOM 0 HA SER A 65 4.019 -6.503 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.845 -8.530 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.550 -8.704 -1.728 1.00 0.00 H new ATOM 0 HG SER A 65 4.506 -9.930 -0.202 1.00 0.00 H new ATOM 1061 N GLU A 66 7.015 -6.295 -1.704 1.00 0.00 N ATOM 1062 CA GLU A 66 8.399 -5.942 -1.435 1.00 0.00 C ATOM 1063 C GLU A 66 8.467 -4.667 -0.593 1.00 0.00 C ATOM 1064 O GLU A 66 9.414 -4.470 0.167 1.00 0.00 O ATOM 1065 CB GLU A 66 9.187 -5.783 -2.737 1.00 0.00 C ATOM 1066 CG GLU A 66 9.395 -4.306 -3.075 1.00 0.00 C ATOM 1067 CD GLU A 66 10.620 -3.744 -2.351 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.741 -4.120 -2.758 1.00 0.00 O ATOM 1069 OE2 GLU A 66 10.408 -2.952 -1.408 1.00 0.00 O ATOM 0 H GLU A 66 6.793 -6.427 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 66 8.857 -6.753 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.154 -6.278 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.654 -6.274 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.520 -4.190 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.509 -3.737 -2.793 1.00 0.00 H new ATOM 1076 N TYR A 67 7.451 -3.832 -0.758 1.00 0.00 N ATOM 1077 CA TYR A 67 7.384 -2.581 -0.022 1.00 0.00 C ATOM 1078 C TYR A 67 6.567 -2.742 1.261 1.00 0.00 C ATOM 1079 O TYR A 67 6.954 -2.239 2.315 1.00 0.00 O ATOM 1080 CB TYR A 67 6.673 -1.588 -0.944 1.00 0.00 C ATOM 1081 CG TYR A 67 6.080 -0.379 -0.217 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.892 0.679 0.138 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.734 -0.346 0.083 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.335 1.817 0.822 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.176 0.792 0.767 1.00 0.00 C ATOM 1086 CZ TYR A 67 5.004 1.817 1.103 1.00 0.00 C ATOM 1087 OH TYR A 67 4.477 2.891 1.749 1.00 0.00 O ATOM 0 H TYR A 67 6.668 -3.997 -1.390 1.00 0.00 H new ATOM 0 HA TYR A 67 8.383 -2.248 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.379 -1.236 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.875 -2.108 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.946 0.653 -0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.098 -1.174 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.959 2.651 1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.124 0.830 1.008 1.00 0.00 H new ATOM 0 HH TYR A 67 3.569 2.678 2.050 1.00 0.00 H new ATOM 1097 N LEU A 68 5.452 -3.446 1.130 1.00 0.00 N ATOM 1098 CA LEU A 68 4.577 -3.680 2.266 1.00 0.00 C ATOM 1099 C LEU A 68 5.410 -4.161 3.456 1.00 0.00 C ATOM 1100 O LEU A 68 5.190 -3.731 4.587 1.00 0.00 O ATOM 1101 CB LEU A 68 3.444 -4.634 1.883 1.00 0.00 C ATOM 1102 CG LEU A 68 2.502 -4.148 0.780 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.527 -5.252 0.367 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.775 -2.870 1.204 1.00 0.00 C ATOM 0 H LEU A 68 5.135 -3.862 0.254 1.00 0.00 H new ATOM 0 HA LEU A 68 4.092 -2.752 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.884 -5.580 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.852 -4.840 2.775 1.00 0.00 H new ATOM 0 HG LEU A 68 3.100 -3.902 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.868 -4.881 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.086 -6.111 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.931 -5.552 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.112 -2.546 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.190 -3.065 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.505 -2.087 1.410 1.00 0.00 H new ATOM 1116 N THR A 69 6.350 -5.047 3.160 1.00 0.00 N ATOM 1117 CA THR A 69 7.218 -5.591 4.190 1.00 0.00 C ATOM 1118 C THR A 69 8.092 -4.487 4.789 1.00 0.00 C ATOM 1119 O THR A 69 8.020 -4.215 5.987 1.00 0.00 O ATOM 1120 CB THR A 69 8.023 -6.737 3.574 1.00 0.00 C ATOM 1121 OG1 THR A 69 7.565 -7.894 4.267 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.511 -6.659 3.921 1.00 0.00 C ATOM 0 H THR A 69 6.529 -5.402 2.221 1.00 0.00 H new ATOM 0 HA THR A 69 6.640 -5.992 5.023 1.00 0.00 H new ATOM 0 HB THR A 69 7.902 -6.725 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.010 -7.951 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.037 -7.495 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.923 -5.721 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.635 -6.705 5.003 1.00 0.00 H new ATOM 1130 N ASN A 70 8.896 -3.881 3.928 1.00 0.00 N ATOM 1131 CA ASN A 70 9.783 -2.813 4.357 1.00 0.00 C ATOM 1132 C ASN A 70 9.514 -1.564 3.516 1.00 0.00 C ATOM 1133 O ASN A 70 10.293 -1.232 2.624 1.00 0.00 O ATOM 1134 CB ASN A 70 11.250 -3.205 4.166 1.00 0.00 C ATOM 1135 CG ASN A 70 11.879 -3.637 5.492 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.236 -3.685 6.528 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.169 -3.948 5.403 1.00 0.00 N ATOM 0 H ASN A 70 8.952 -4.109 2.935 1.00 0.00 H new ATOM 0 HA ASN A 70 9.595 -2.623 5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.322 -4.018 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.805 -2.362 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.680 -4.248 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.648 -3.886 4.504 1.00 0.00 H new ATOM 1144 N PRO A 71 8.379 -0.888 3.838 1.00 0.00 N ATOM 1145 CA PRO A 71 7.997 0.318 3.122 1.00 0.00 C ATOM 1146 C PRO A 71 8.865 1.505 3.545 1.00 0.00 C ATOM 1147 O PRO A 71 9.064 2.376 2.717 1.00 0.00 O ATOM 1148 CB PRO A 71 6.524 0.515 3.441 1.00 0.00 C ATOM 1149 CG PRO A 71 6.252 -0.314 4.686 1.00 0.00 C ATOM 1150 CD PRO A 71 7.432 -1.252 4.888 1.00 0.00 C ATOM 0 HA PRO A 71 8.150 0.235 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.300 1.567 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.898 0.189 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.125 0.332 5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.328 -0.881 4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.871 -1.128 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.128 -2.295 4.803 1.00 0.00 H new HETATM 1158 N M3L A 72 9.313 1.454 4.789 1.00 0.00 N HETATM 1159 CA M3L A 72 10.131 2.539 5.372 1.00 0.00 C HETATM 1160 CB M3L A 72 10.026 2.465 6.909 1.00 0.00 C HETATM 1161 CG M3L A 72 8.785 3.300 7.227 1.00 0.00 C HETATM 1162 CD M3L A 72 8.212 2.988 8.622 1.00 0.00 C HETATM 1163 CE M3L A 72 8.765 4.078 9.561 1.00 0.00 C HETATM 1164 NZ M3L A 72 7.752 5.094 9.886 1.00 0.00 N HETATM 1165 C M3L A 72 11.595 2.542 5.021 1.00 0.00 C HETATM 1166 O M3L A 72 12.307 3.517 5.258 1.00 0.00 O HETATM 1167 CM1 M3L A 72 6.881 4.361 10.836 1.00 0.00 C HETATM 1168 CM2 M3L A 72 8.417 6.246 10.530 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.019 5.530 8.685 1.00 0.00 C HETATM 0 HM33 M3L A 72 7.719 5.958 7.967 1.00 0.00 H new HETATM 0 HM32 M3L A 72 6.516 4.674 8.235 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.279 6.281 8.963 1.00 0.00 H new HETATM 0 HM23 M3L A 72 8.913 5.916 11.443 1.00 0.00 H new HETATM 0 HM22 M3L A 72 9.155 6.668 9.848 1.00 0.00 H new HETATM 0 HM21 M3L A 72 7.674 7.005 10.775 1.00 0.00 H new HETATM 0 HM13 M3L A 72 6.464 3.482 10.344 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.467 4.049 11.700 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.071 5.012 11.163 1.00 0.00 H new HETATM 0 HG3 M3L A 72 9.038 4.359 7.169 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.021 3.113 6.473 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.123 3.616 10.481 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.623 4.559 9.092 1.00 0.00 H new HETATM 0 HD3 M3L A 72 7.122 3.001 8.608 1.00 0.00 H new HETATM 0 HD2 M3L A 72 8.515 1.995 8.955 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.916 1.437 7.254 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.916 2.870 7.391 1.00 0.00 H new HETATM 0 HA M3L A 72 9.720 3.452 4.940 1.00 0.00 H new HETATM 0 H M3L A 72 8.802 0.816 5.399 1.00 0.00 H new ATOM 1189 N LYS A 73 11.995 1.464 4.362 1.00 0.00 N ATOM 1190 CA LYS A 73 13.352 1.357 3.855 1.00 0.00 C ATOM 1191 C LYS A 73 13.355 1.652 2.353 1.00 0.00 C ATOM 1192 O LYS A 73 13.921 2.652 1.915 1.00 0.00 O ATOM 1193 CB LYS A 73 13.953 -0.002 4.216 1.00 0.00 C ATOM 1194 CG LYS A 73 15.349 -0.163 3.610 1.00 0.00 C ATOM 1195 CD LYS A 73 16.427 0.327 4.580 1.00 0.00 C ATOM 1196 CE LYS A 73 16.848 1.761 4.252 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.632 2.339 5.367 1.00 0.00 N ATOM 0 H LYS A 73 11.402 0.657 4.168 1.00 0.00 H new ATOM 0 HA LYS A 73 13.995 2.099 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.009 -0.102 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.302 -0.799 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.524 -1.210 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.412 0.398 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.051 0.279 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.294 -0.331 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.442 1.772 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.965 2.372 4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.910 3.312 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.053 2.346 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.484 1.765 5.526 1.00 0.00 H new ATOM 1211 N TYR A 74 12.717 0.763 1.607 1.00 0.00 N ATOM 1212 CA TYR A 74 12.639 0.915 0.164 1.00 0.00 C ATOM 1213 C TYR A 74 12.291 2.355 -0.218 1.00 0.00 C ATOM 1214 O TYR A 74 13.002 2.982 -1.001 1.00 0.00 O ATOM 1215 CB TYR A 74 11.509 -0.009 -0.297 1.00 0.00 C ATOM 1216 CG TYR A 74 11.424 -0.178 -1.815 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.443 -0.813 -2.497 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.330 0.304 -2.503 1.00 0.00 C ATOM 1219 CE1 TYR A 74 12.363 -0.972 -3.926 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.250 0.145 -3.932 1.00 0.00 C ATOM 1221 CZ TYR A 74 11.270 -0.485 -4.573 1.00 0.00 C ATOM 1222 OH TYR A 74 11.195 -0.636 -5.922 1.00 0.00 O ATOM 0 H TYR A 74 12.249 -0.065 1.975 1.00 0.00 H new ATOM 0 HA TYR A 74 13.595 0.671 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.645 -0.989 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.560 0.384 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.300 -1.190 -1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.533 0.801 -1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.153 -1.467 -4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.399 0.518 -4.482 1.00 0.00 H new ATOM 0 HH TYR A 74 11.671 -1.451 -6.187 1.00 0.00 H new ATOM 1232 N ILE A 75 11.198 2.837 0.354 1.00 0.00 N ATOM 1233 CA ILE A 75 10.748 4.192 0.084 1.00 0.00 C ATOM 1234 C ILE A 75 11.437 5.157 1.051 1.00 0.00 C ATOM 1235 O ILE A 75 11.197 5.109 2.257 1.00 0.00 O ATOM 1236 CB ILE A 75 9.220 4.267 0.125 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.597 3.311 -0.894 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.736 5.706 -0.069 1.00 0.00 C ATOM 1239 CD1 ILE A 75 8.857 3.788 -2.325 1.00 0.00 C ATOM 0 H ILE A 75 10.611 2.314 1.003 1.00 0.00 H new ATOM 0 HA ILE A 75 11.033 4.494 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 75 8.889 3.946 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.010 2.311 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.523 3.238 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.647 5.731 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.138 6.335 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.078 6.078 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.403 3.090 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.422 4.778 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.931 3.836 -2.503 1.00 0.00 H new ATOM 1251 N PRO A 76 12.301 6.032 0.472 1.00 0.00 N ATOM 1252 CA PRO A 76 13.027 7.006 1.269 1.00 0.00 C ATOM 1253 C PRO A 76 12.109 8.149 1.707 1.00 0.00 C ATOM 1254 O PRO A 76 11.989 9.156 1.010 1.00 0.00 O ATOM 1255 CB PRO A 76 14.170 7.469 0.380 1.00 0.00 C ATOM 1256 CG PRO A 76 13.775 7.089 -1.038 1.00 0.00 C ATOM 1257 CD PRO A 76 12.610 6.117 -0.953 1.00 0.00 C ATOM 0 HA PRO A 76 13.409 6.587 2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.322 8.545 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.106 6.990 0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.492 7.975 -1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.616 6.632 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.753 6.475 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.878 5.142 -1.359 1.00 0.00 H new ATOM 1265 N GLY A 77 11.484 7.956 2.859 1.00 0.00 N ATOM 1266 CA GLY A 77 10.580 8.958 3.398 1.00 0.00 C ATOM 1267 C GLY A 77 9.121 8.533 3.219 1.00 0.00 C ATOM 1268 O GLY A 77 8.323 9.270 2.642 1.00 0.00 O ATOM 0 H GLY A 77 11.586 7.120 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.791 9.111 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.749 9.912 2.898 1.00 0.00 H new ATOM 1272 N THR A 78 8.817 7.347 3.726 1.00 0.00 N ATOM 1273 CA THR A 78 7.468 6.816 3.629 1.00 0.00 C ATOM 1274 C THR A 78 6.692 7.095 4.918 1.00 0.00 C ATOM 1275 O THR A 78 7.018 6.553 5.973 1.00 0.00 O ATOM 1276 CB THR A 78 7.570 5.327 3.291 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.394 5.063 2.530 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.423 4.435 4.525 1.00 0.00 C ATOM 0 H THR A 78 9.481 6.739 4.205 1.00 0.00 H new ATOM 0 HA THR A 78 6.905 7.307 2.835 1.00 0.00 H new ATOM 0 HB THR A 78 8.529 5.128 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.167 4.112 2.598 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.503 3.389 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.211 4.671 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.450 4.608 4.986 1.00 0.00 H new ATOM 1286 N LYS A 79 5.679 7.939 4.790 1.00 0.00 N ATOM 1287 CA LYS A 79 4.854 8.297 5.931 1.00 0.00 C ATOM 1288 C LYS A 79 4.084 7.062 6.405 1.00 0.00 C ATOM 1289 O LYS A 79 3.483 7.075 7.478 1.00 0.00 O ATOM 1290 CB LYS A 79 3.956 9.488 5.591 1.00 0.00 C ATOM 1291 CG LYS A 79 4.461 10.765 6.266 1.00 0.00 C ATOM 1292 CD LYS A 79 3.296 11.679 6.651 1.00 0.00 C ATOM 1293 CE LYS A 79 3.755 13.134 6.762 1.00 0.00 C ATOM 1294 NZ LYS A 79 4.412 13.373 8.067 1.00 0.00 N ATOM 0 H LYS A 79 5.411 8.386 3.913 1.00 0.00 H new ATOM 0 HA LYS A 79 5.477 8.625 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.928 9.630 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.935 9.282 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.035 10.508 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.136 11.294 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.505 11.599 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.873 11.354 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.447 13.366 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.900 13.801 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.717 14.365 8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.741 13.171 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.240 12.750 8.158 1.00 0.00 H new ATOM 1308 N MET A 80 4.128 6.025 5.581 1.00 0.00 N ATOM 1309 CA MET A 80 3.442 4.785 5.903 1.00 0.00 C ATOM 1310 C MET A 80 4.026 4.147 7.165 1.00 0.00 C ATOM 1311 O MET A 80 5.016 3.420 7.096 1.00 0.00 O ATOM 1312 CB MET A 80 3.573 3.811 4.730 1.00 0.00 C ATOM 1313 CG MET A 80 2.842 2.499 5.024 1.00 0.00 C ATOM 1314 SD MET A 80 2.427 1.676 3.495 1.00 0.00 S ATOM 1315 CE MET A 80 2.187 0.012 4.094 1.00 0.00 C ATOM 0 H MET A 80 4.628 6.018 4.692 1.00 0.00 H new ATOM 0 HA MET A 80 2.391 5.009 6.086 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.164 4.265 3.828 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.626 3.609 4.536 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.471 1.852 5.636 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.936 2.698 5.597 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.654 -0.572 3.343 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.156 -0.447 4.290 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.604 0.037 5.015 1.00 0.00 H new ATOM 1325 N ALA A 81 3.388 4.441 8.288 1.00 0.00 N ATOM 1326 CA ALA A 81 3.831 3.905 9.563 1.00 0.00 C ATOM 1327 C ALA A 81 3.294 2.482 9.728 1.00 0.00 C ATOM 1328 O ALA A 81 2.396 2.243 10.534 1.00 0.00 O ATOM 1329 CB ALA A 81 3.379 4.833 10.692 1.00 0.00 C ATOM 0 H ALA A 81 2.567 5.044 8.341 1.00 0.00 H new ATOM 0 HA ALA A 81 4.919 3.853 9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.712 4.431 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.811 5.823 10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.292 4.908 10.688 1.00 0.00 H new ATOM 1335 N PHE A 82 3.867 1.574 8.951 1.00 0.00 N ATOM 1336 CA PHE A 82 3.457 0.181 9.001 1.00 0.00 C ATOM 1337 C PHE A 82 4.456 -0.657 9.801 1.00 0.00 C ATOM 1338 O PHE A 82 4.070 -1.389 10.711 1.00 0.00 O ATOM 1339 CB PHE A 82 3.424 -0.327 7.558 1.00 0.00 C ATOM 1340 CG PHE A 82 2.822 -1.726 7.405 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.646 -2.031 8.014 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.465 -2.664 6.659 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.088 -3.329 7.872 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.907 -3.962 6.516 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.730 -4.267 7.126 1.00 0.00 C ATOM 0 H PHE A 82 4.612 1.776 8.284 1.00 0.00 H new ATOM 0 HA PHE A 82 2.484 0.097 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.850 0.373 6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.440 -0.334 7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.136 -1.286 8.606 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.400 -2.422 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.154 -3.571 8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.417 -4.707 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.306 -5.254 7.018 1.00 0.00 H new ATOM 1355 N GLY A 83 5.722 -0.521 9.433 1.00 0.00 N ATOM 1356 CA GLY A 83 6.780 -1.256 10.105 1.00 0.00 C ATOM 1357 C GLY A 83 7.236 -2.451 9.266 1.00 0.00 C ATOM 1358 O GLY A 83 8.406 -2.548 8.901 1.00 0.00 O ATOM 0 H GLY A 83 6.039 0.087 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.626 -0.594 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.427 -1.603 11.076 1.00 0.00 H new ATOM 1362 N GLY A 84 6.286 -3.332 8.984 1.00 0.00 N ATOM 1363 CA GLY A 84 6.575 -4.517 8.195 1.00 0.00 C ATOM 1364 C GLY A 84 5.955 -5.763 8.830 1.00 0.00 C ATOM 1365 O GLY A 84 6.021 -5.944 10.045 1.00 0.00 O ATOM 0 H GLY A 84 5.316 -3.248 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.188 -4.389 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.654 -4.647 8.109 1.00 0.00 H new ATOM 1369 N LEU A 85 5.366 -6.590 7.979 1.00 0.00 N ATOM 1370 CA LEU A 85 4.734 -7.814 8.442 1.00 0.00 C ATOM 1371 C LEU A 85 5.814 -8.830 8.820 1.00 0.00 C ATOM 1372 O LEU A 85 5.650 -9.590 9.773 1.00 0.00 O ATOM 1373 CB LEU A 85 3.742 -8.332 7.399 1.00 0.00 C ATOM 1374 CG LEU A 85 2.387 -7.621 7.350 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.953 -7.368 5.905 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.332 -8.399 8.138 1.00 0.00 C ATOM 0 H LEU A 85 5.313 -6.437 6.972 1.00 0.00 H new ATOM 0 HA LEU A 85 4.147 -7.623 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.206 -8.255 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.567 -9.391 7.587 1.00 0.00 H new ATOM 0 HG LEU A 85 2.494 -6.648 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.988 -6.862 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.694 -6.743 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.868 -8.319 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.379 -7.873 8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.220 -9.395 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.645 -8.484 9.179 1.00 0.00 H new ATOM 1388 N LYS A 86 6.895 -8.808 8.054 1.00 0.00 N ATOM 1389 CA LYS A 86 8.002 -9.718 8.297 1.00 0.00 C ATOM 1390 C LYS A 86 7.470 -11.149 8.390 1.00 0.00 C ATOM 1391 O LYS A 86 8.113 -12.017 8.978 1.00 0.00 O ATOM 1392 CB LYS A 86 8.798 -9.276 9.527 1.00 0.00 C ATOM 1393 CG LYS A 86 8.030 -9.580 10.815 1.00 0.00 C ATOM 1394 CD LYS A 86 8.981 -9.686 12.008 1.00 0.00 C ATOM 1395 CE LYS A 86 8.458 -10.690 13.038 1.00 0.00 C ATOM 1396 NZ LYS A 86 7.751 -9.989 14.133 1.00 0.00 N ATOM 0 H LYS A 86 7.028 -8.175 7.265 1.00 0.00 H new ATOM 0 HA LYS A 86 8.705 -9.693 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.761 -9.787 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.005 -8.208 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.296 -8.795 10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.478 -10.513 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.969 -9.993 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.096 -8.707 12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.783 -11.397 12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.288 -11.268 13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.403 -10.685 14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.405 -9.332 14.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.947 -9.457 13.743 1.00 0.00 H new ATOM 1410 N LYS A 87 6.301 -11.351 7.800 1.00 0.00 N ATOM 1411 CA LYS A 87 5.675 -12.663 7.809 1.00 0.00 C ATOM 1412 C LYS A 87 5.187 -13.000 6.398 1.00 0.00 C ATOM 1413 O LYS A 87 3.990 -12.943 6.122 1.00 0.00 O ATOM 1414 CB LYS A 87 4.576 -12.724 8.871 1.00 0.00 C ATOM 1415 CG LYS A 87 5.151 -12.493 10.269 1.00 0.00 C ATOM 1416 CD LYS A 87 5.737 -13.784 10.842 1.00 0.00 C ATOM 1417 CE LYS A 87 4.832 -14.360 11.934 1.00 0.00 C ATOM 1418 NZ LYS A 87 5.587 -14.534 13.195 1.00 0.00 N ATOM 0 H LYS A 87 5.771 -10.629 7.313 1.00 0.00 H new ATOM 0 HA LYS A 87 6.399 -13.429 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.817 -11.972 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.082 -13.695 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.925 -11.726 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.369 -12.120 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.862 -14.516 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.728 -13.587 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.984 -13.695 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.427 -15.319 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.958 -14.926 13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.382 -15.186 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.952 -13.613 13.511 1.00 0.00 H new ATOM 1432 N GLU A 88 6.140 -13.342 5.543 1.00 0.00 N ATOM 1433 CA GLU A 88 5.822 -13.689 4.168 1.00 0.00 C ATOM 1434 C GLU A 88 4.529 -14.504 4.111 1.00 0.00 C ATOM 1435 O GLU A 88 3.775 -14.413 3.144 1.00 0.00 O ATOM 1436 CB GLU A 88 6.978 -14.447 3.513 1.00 0.00 C ATOM 1437 CG GLU A 88 7.792 -13.526 2.602 1.00 0.00 C ATOM 1438 CD GLU A 88 9.289 -13.816 2.726 1.00 0.00 C ATOM 1439 OE1 GLU A 88 9.913 -13.208 3.623 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.776 -14.639 1.921 1.00 0.00 O ATOM 0 H GLU A 88 7.132 -13.386 5.776 1.00 0.00 H new ATOM 0 HA GLU A 88 5.671 -12.767 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.625 -14.867 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.587 -15.284 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.476 -13.660 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.597 -12.486 2.862 1.00 0.00 H new ATOM 1447 N LYS A 89 4.311 -15.283 5.161 1.00 0.00 N ATOM 1448 CA LYS A 89 3.122 -16.114 5.243 1.00 0.00 C ATOM 1449 C LYS A 89 1.892 -15.272 4.896 1.00 0.00 C ATOM 1450 O LYS A 89 1.224 -15.527 3.895 1.00 0.00 O ATOM 1451 CB LYS A 89 3.037 -16.794 6.611 1.00 0.00 C ATOM 1452 CG LYS A 89 4.387 -17.391 7.012 1.00 0.00 C ATOM 1453 CD LYS A 89 4.246 -18.871 7.373 1.00 0.00 C ATOM 1454 CE LYS A 89 5.544 -19.414 7.974 1.00 0.00 C ATOM 1455 NZ LYS A 89 5.294 -20.691 8.680 1.00 0.00 N ATOM 0 H LYS A 89 4.938 -15.356 5.962 1.00 0.00 H new ATOM 0 HA LYS A 89 3.171 -16.923 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.718 -16.071 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.282 -17.579 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.096 -17.279 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.793 -16.843 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.430 -19.000 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.986 -19.443 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.281 -19.566 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.964 -18.685 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.185 -21.046 9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.607 -20.536 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.914 -21.390 8.010 1.00 0.00 H new ATOM 1469 N ASP A 90 1.632 -14.287 5.743 1.00 0.00 N ATOM 1470 CA ASP A 90 0.494 -13.406 5.538 1.00 0.00 C ATOM 1471 C ASP A 90 0.666 -12.657 4.216 1.00 0.00 C ATOM 1472 O ASP A 90 -0.265 -12.583 3.415 1.00 0.00 O ATOM 1473 CB ASP A 90 0.391 -12.370 6.659 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.605 -12.713 7.768 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -1.014 -13.894 7.819 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.935 -11.788 8.541 1.00 0.00 O ATOM 0 H ASP A 90 2.189 -14.079 6.572 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.408 -14.017 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.377 -12.240 7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.110 -11.412 6.223 1.00 0.00 H new ATOM 1481 N ARG A 91 1.862 -12.120 4.028 1.00 0.00 N ATOM 1482 CA ARG A 91 2.168 -11.379 2.816 1.00 0.00 C ATOM 1483 C ARG A 91 1.692 -12.154 1.585 1.00 0.00 C ATOM 1484 O ARG A 91 1.107 -11.576 0.671 1.00 0.00 O ATOM 1485 CB ARG A 91 3.670 -11.116 2.695 1.00 0.00 C ATOM 1486 CG ARG A 91 4.213 -10.449 3.961 1.00 0.00 C ATOM 1487 CD ARG A 91 5.594 -9.840 3.710 1.00 0.00 C ATOM 1488 NE ARG A 91 6.607 -10.516 4.551 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.914 -10.563 4.262 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.376 -9.974 3.150 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.760 -11.199 5.083 1.00 0.00 N ATOM 0 H ARG A 91 2.631 -12.183 4.695 1.00 0.00 H new ATOM 0 HA ARG A 91 1.647 -10.423 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.195 -12.055 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.863 -10.478 1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.524 -9.672 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.276 -11.183 4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.858 -9.940 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.576 -8.774 3.935 1.00 0.00 H new ATOM 0 HE ARG A 91 6.290 -10.975 5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.732 -9.490 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.371 -10.010 2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.409 -11.648 5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.755 -11.234 4.862 1.00 0.00 H new ATOM 1505 N ASN A 92 1.961 -13.451 1.602 1.00 0.00 N ATOM 1506 CA ASN A 92 1.568 -14.312 0.499 1.00 0.00 C ATOM 1507 C ASN A 92 0.051 -14.237 0.316 1.00 0.00 C ATOM 1508 O ASN A 92 -0.446 -14.306 -0.807 1.00 0.00 O ATOM 1509 CB ASN A 92 1.940 -15.769 0.779 1.00 0.00 C ATOM 1510 CG ASN A 92 3.343 -16.087 0.258 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.524 -16.729 -0.763 1.00 0.00 O ATOM 1512 ND2 ASN A 92 4.323 -15.603 1.016 1.00 0.00 N ATOM 0 H ASN A 92 2.447 -13.927 2.362 1.00 0.00 H new ATOM 0 HA ASN A 92 2.089 -13.973 -0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.895 -15.960 1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.214 -16.431 0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.296 -15.761 0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.102 -15.073 1.859 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.642 -14.097 1.436 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.093 -14.013 1.413 1.00 0.00 C ATOM 1521 C ASP A 93 -2.510 -12.573 1.105 1.00 0.00 C ATOM 1522 O ASP A 93 -3.492 -12.345 0.399 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.689 -14.398 2.768 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.295 -15.787 3.276 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.036 -16.654 2.414 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.261 -15.949 4.515 1.00 0.00 O ATOM 0 H ASP A 93 -0.226 -14.040 2.366 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.459 -14.700 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.383 -13.657 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.776 -14.348 2.698 1.00 0.00 H new ATOM 1531 N LEU A 94 -1.745 -11.639 1.650 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.023 -10.228 1.442 1.00 0.00 C ATOM 1533 C LEU A 94 -2.371 -9.993 -0.029 1.00 0.00 C ATOM 1534 O LEU A 94 -3.540 -9.823 -0.374 1.00 0.00 O ATOM 1535 CB LEU A 94 -0.857 -9.373 1.942 1.00 0.00 C ATOM 1536 CG LEU A 94 -1.234 -8.039 2.589 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -2.233 -7.271 1.721 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.753 -8.246 4.013 1.00 0.00 C ATOM 0 H LEU A 94 -0.932 -11.832 2.236 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.889 -9.920 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.288 -9.957 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.193 -9.172 1.101 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.334 -7.429 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.484 -6.327 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.790 -7.073 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.138 -7.866 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.014 -7.282 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.636 -8.884 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.979 -8.720 4.617 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.336 -9.990 -0.856 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.519 -9.778 -2.282 1.00 0.00 C ATOM 1552 C ILE A 95 -2.612 -10.715 -2.797 1.00 0.00 C ATOM 1553 O ILE A 95 -3.568 -10.271 -3.431 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.186 -9.923 -3.020 1.00 0.00 C ATOM 1555 CG1 ILE A 95 0.936 -9.200 -2.273 1.00 0.00 C ATOM 1556 CG2 ILE A 95 -0.308 -9.450 -4.470 1.00 0.00 C ATOM 1557 CD1 ILE A 95 1.981 -10.193 -1.758 1.00 0.00 C ATOM 0 H ILE A 95 -0.368 -10.131 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.856 -8.760 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 95 0.076 -10.981 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.412 -8.477 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.519 -8.639 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.653 -9.564 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.060 -10.048 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.604 -8.401 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.767 -9.653 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.507 -10.900 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.414 -10.735 -2.599 1.00 0.00 H new ATOM 1569 N THR A 96 -2.435 -11.996 -2.505 1.00 0.00 N ATOM 1570 CA THR A 96 -3.395 -13.000 -2.931 1.00 0.00 C ATOM 1571 C THR A 96 -4.816 -12.435 -2.878 1.00 0.00 C ATOM 1572 O THR A 96 -5.577 -12.566 -3.836 1.00 0.00 O ATOM 1573 CB THR A 96 -3.201 -14.240 -2.057 1.00 0.00 C ATOM 1574 OG1 THR A 96 -2.645 -15.207 -2.944 1.00 0.00 O ATOM 1575 CG2 THR A 96 -4.529 -14.860 -1.616 1.00 0.00 C ATOM 0 H THR A 96 -1.641 -12.361 -1.979 1.00 0.00 H new ATOM 0 HA THR A 96 -3.232 -13.288 -3.970 1.00 0.00 H new ATOM 0 HB THR A 96 -2.614 -13.975 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.754 -14.915 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.334 -15.737 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.098 -14.130 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.102 -15.156 -2.495 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.132 -11.819 -1.748 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.449 -11.234 -1.557 1.00 0.00 C ATOM 1585 C TYR A 97 -6.494 -9.800 -2.089 1.00 0.00 C ATOM 1586 O TYR A 97 -7.459 -9.406 -2.742 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.686 -11.213 -0.046 1.00 0.00 C ATOM 1588 CG TYR A 97 -6.289 -9.898 0.628 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -6.981 -8.739 0.339 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -5.240 -9.871 1.524 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -6.608 -7.501 0.973 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -4.867 -8.633 2.158 1.00 0.00 C ATOM 1593 CZ TYR A 97 -5.570 -7.509 1.851 1.00 0.00 C ATOM 1594 OH TYR A 97 -5.217 -6.340 2.450 1.00 0.00 O ATOM 0 H TYR A 97 -4.499 -11.712 -0.955 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.206 -11.809 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.741 -11.405 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.124 -12.028 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.802 -8.761 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.699 -10.778 1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.141 -6.587 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.048 -8.597 2.861 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.460 -6.497 3.053 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.437 -9.059 -1.789 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.344 -7.677 -2.228 1.00 0.00 C ATOM 1606 C LEU A 98 -5.837 -7.571 -3.673 1.00 0.00 C ATOM 1607 O LEU A 98 -6.772 -6.826 -3.960 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.925 -7.144 -2.023 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.815 -5.692 -1.551 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.415 -4.734 -2.582 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.446 -5.516 -0.169 1.00 0.00 C ATOM 0 H LEU A 98 -4.638 -9.390 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.990 -7.041 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.421 -7.781 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.382 -7.242 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.758 -5.442 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.324 -3.709 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.881 -4.836 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.468 -4.974 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.354 -4.476 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.500 -5.790 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.934 -6.157 0.549 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.186 -8.328 -4.544 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.547 -8.329 -5.951 1.00 0.00 C ATOM 1625 C LYS A 99 -7.071 -8.358 -6.083 1.00 0.00 C ATOM 1626 O LYS A 99 -7.635 -7.701 -6.956 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.844 -9.473 -6.684 1.00 0.00 C ATOM 1628 CG LYS A 99 -5.335 -9.583 -8.129 1.00 0.00 C ATOM 1629 CD LYS A 99 -4.245 -10.158 -9.036 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.705 -11.466 -9.684 1.00 0.00 C ATOM 1631 NZ LYS A 99 -4.275 -12.626 -8.872 1.00 0.00 N ATOM 0 H LYS A 99 -4.411 -8.945 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.203 -7.414 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.767 -9.308 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.028 -10.412 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.219 -10.219 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.633 -8.599 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.992 -9.434 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.339 -10.334 -8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.790 -11.467 -9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.292 -11.545 -10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.595 -13.505 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.238 -12.632 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.690 -12.557 -7.921 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.694 -9.127 -5.202 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.142 -9.251 -5.209 1.00 0.00 C ATOM 1647 C LYS A 100 -9.764 -7.929 -4.755 1.00 0.00 C ATOM 1648 O LYS A 100 -10.560 -7.332 -5.479 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.580 -10.456 -4.374 1.00 0.00 C ATOM 1650 CG LYS A 100 -11.049 -10.797 -4.633 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.841 -10.838 -3.325 1.00 0.00 C ATOM 1652 CE LYS A 100 -13.163 -11.588 -3.507 1.00 0.00 C ATOM 1653 NZ LYS A 100 -14.309 -10.675 -3.303 1.00 0.00 N ATOM 0 H LYS A 100 -7.223 -9.670 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.504 -9.444 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.955 -11.316 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.434 -10.242 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.485 -10.056 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.119 -11.762 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.247 -11.324 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.039 -9.822 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.208 -12.020 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.219 -12.415 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.198 -11.200 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.273 -10.283 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.263 -9.900 -3.995 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.379 -7.510 -3.558 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.890 -6.270 -2.999 1.00 0.00 C ATOM 1669 C ALA A 101 -9.672 -5.136 -4.002 1.00 0.00 C ATOM 1670 O ALA A 101 -10.532 -4.271 -4.162 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.210 -5.998 -1.655 1.00 0.00 C ATOM 0 H ALA A 101 -8.719 -8.007 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.961 -6.345 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.593 -5.068 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.419 -6.819 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.133 -5.913 -1.803 1.00 0.00 H new ATOM 1677 N SER A 102 -8.518 -5.177 -4.652 1.00 0.00 N ATOM 1678 CA SER A 102 -8.177 -4.163 -5.636 1.00 0.00 C ATOM 1679 C SER A 102 -9.064 -4.315 -6.873 1.00 0.00 C ATOM 1680 O SER A 102 -9.286 -3.351 -7.604 1.00 0.00 O ATOM 1681 CB SER A 102 -6.701 -4.250 -6.027 1.00 0.00 C ATOM 1682 OG SER A 102 -5.912 -4.852 -5.004 1.00 0.00 O ATOM 0 H SER A 102 -7.807 -5.896 -4.517 1.00 0.00 H new ATOM 0 HA SER A 102 -8.350 -3.183 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.603 -4.827 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.322 -3.250 -6.236 1.00 0.00 H new ATOM 0 HG SER A 102 -6.134 -5.804 -4.938 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.546 -5.533 -7.070 1.00 0.00 N ATOM 1689 CA GLU A 103 -10.403 -5.824 -8.207 1.00 0.00 C ATOM 1690 C GLU A 103 -11.769 -6.320 -7.728 1.00 0.00 C ATOM 1691 O GLU A 103 -12.791 -5.692 -7.998 1.00 0.00 O ATOM 1692 CB GLU A 103 -9.747 -6.842 -9.142 1.00 0.00 C ATOM 1693 CG GLU A 103 -10.399 -6.815 -10.526 1.00 0.00 C ATOM 1694 CD GLU A 103 -11.426 -7.940 -10.671 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -12.104 -8.223 -9.660 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -11.510 -8.491 -11.790 1.00 0.00 O ATOM 0 H GLU A 103 -9.359 -6.330 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.550 -4.903 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.683 -6.624 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.833 -7.841 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.885 -5.852 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.633 -6.916 -11.295 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.114 1.875 3.479 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.126 4.345 1.427 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.702 -0.020 0.805 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.831 -0.557 5.596 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.104 4.113 6.024 1.00 0.00 C HETATM 1709 NA HEC A 104 0.161 2.164 1.562 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.664 3.177 0.839 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.962 2.781 -0.558 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.416 1.573 -0.700 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.055 1.120 0.534 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.430 0.711 -2.019 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.536 3.751 -1.551 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.632 5.025 -1.602 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.287 6.376 -1.355 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.795 7.001 -0.409 1.00 0.00 O HETATM 1719 O2A HEC A 104 2.243 6.758 -2.064 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.676 0.050 3.258 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.071 -0.511 2.050 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.503 -1.868 2.372 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.488 -2.076 3.712 1.00 0.00 C HETATM 1724 C4B HEC A 104 -1.013 -0.819 4.225 1.00 0.00 C HETATM 1725 CMB HEC A 104 -2.054 -2.835 1.261 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.915 -3.251 4.553 1.00 0.00 C HETATM 1727 CBB HEC A 104 -1.113 -4.536 4.293 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.406 1.847 5.466 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.689 0.753 6.226 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.942 0.958 7.597 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.689 2.277 7.730 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.445 2.849 6.408 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.288 -0.038 8.661 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.947 3.252 8.921 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.212 2.800 10.203 1.00 0.00 C HETATM 1736 ND HEC A 104 0.404 3.882 3.705 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.338 4.641 4.868 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.795 5.928 4.616 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.176 5.991 3.330 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.998 4.658 2.761 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.940 7.100 5.691 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.877 7.200 2.661 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.957 8.386 2.485 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.497 9.766 2.813 1.00 0.00 C HETATM 1745 O1D HEC A 104 1.815 9.986 4.013 1.00 0.00 O HETATM 1746 O2D HEC A 104 1.407 10.594 1.879 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.035 7.314 6.129 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.631 6.791 6.476 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.323 7.996 5.203 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.215 -0.546 8.396 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.485 -0.770 8.749 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.416 0.477 9.613 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.938 -2.394 0.800 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.288 -2.990 0.501 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.318 -3.792 1.710 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.071 1.259 -2.817 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.461 0.507 -2.310 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.090 -0.231 -1.844 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.622 8.397 1.448 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 0.075 8.218 3.103 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.560 1.808 10.492 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.861 2.767 10.015 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.418 3.505 11.008 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -1.227 -4.831 3.250 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -0.059 -4.357 4.506 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.483 -5.333 4.938 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.157 5.058 -2.583 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.163 4.900 -0.867 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.734 7.497 3.265 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 2.263 6.898 1.687 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.553 4.022 -1.267 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.593 3.290 -2.537 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.212 4.849 6.820 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.792 -1.423 6.257 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.971 -0.636 -0.053 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.628 5.069 0.785 1.00 0.00 H new HETATM 0 H2D HEC A 104 1.625 11.489 2.213 1.00 0.00 H new HETATM 0 H2A HEC A 104 2.024 7.623 -2.470 1.00 0.00 H new