USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 180:sc= -0.049 USER MOD Set 1.2: A 69 GLN : amide:sc= 0.0322 X(o=-0.017,f=-0.088) USER MOD Set 2.1: A 58 THR OG1 : rot -175:sc= 0.758 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.31 K(o=-0.55,f=-3.7!) USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0 X(o=-0.58,f=-0.6) USER MOD Set 3.2: A 15 ASN : amide:sc= -0.584 K(o=-0.58,f=-4!) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.158 (180deg=-0.579) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0133 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc=0.000251 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= 1.09 (180deg=0.0765) USER MOD Single : A 39 THR OG1 : rot 75:sc= 0.971 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 55 CYS SG : rot 88:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 0.949 (180deg=0.707) USER MOD Single : A 72 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 78 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.2!) USER MOD Single : A 86 THR OG1 : rot -44:sc= 0.193 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -40:sc= 0.443 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.393 -4.986 6.548 1.00 0.00 N ATOM 2 CA MET A 1 6.021 -4.997 5.201 1.00 0.00 C ATOM 3 C MET A 1 6.635 -6.379 4.927 1.00 0.00 C ATOM 4 O MET A 1 7.279 -6.965 5.805 1.00 0.00 O ATOM 5 CB MET A 1 7.092 -3.863 5.074 1.00 0.00 C ATOM 6 CG MET A 1 7.920 -3.869 3.765 1.00 0.00 C ATOM 7 SD MET A 1 9.202 -5.148 3.738 1.00 0.00 S ATOM 8 CE MET A 1 9.840 -5.002 2.064 1.00 0.00 C ATOM 0 H1 MET A 1 5.542 -4.058 6.993 1.00 0.00 H new ATOM 0 H2 MET A 1 4.373 -5.166 6.457 1.00 0.00 H new ATOM 0 H3 MET A 1 5.824 -5.726 7.138 1.00 0.00 H new ATOM 0 HA MET A 1 5.254 -4.803 4.451 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.588 -2.900 5.160 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.778 -3.940 5.917 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.249 -4.018 2.919 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.387 -2.893 3.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.800 -5.513 1.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.136 -5.455 1.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.971 -3.949 1.815 1.00 0.00 H new ATOM 18 N LEU A 2 6.383 -6.898 3.713 1.00 0.00 N ATOM 19 CA LEU A 2 7.037 -8.108 3.182 1.00 0.00 C ATOM 20 C LEU A 2 7.455 -7.862 1.723 1.00 0.00 C ATOM 21 O LEU A 2 6.911 -6.961 1.064 1.00 0.00 O ATOM 22 CB LEU A 2 6.093 -9.346 3.344 1.00 0.00 C ATOM 23 CG LEU A 2 4.607 -9.230 2.817 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.478 -9.440 1.289 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.661 -10.196 3.578 1.00 0.00 C ATOM 0 H LEU A 2 5.712 -6.485 3.065 1.00 0.00 H new ATOM 0 HA LEU A 2 7.941 -8.330 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.561 -10.189 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.051 -9.596 4.404 1.00 0.00 H new ATOM 0 HG LEU A 2 4.302 -8.203 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.432 -9.347 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.070 -8.688 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.841 -10.434 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.647 -10.092 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.999 -11.223 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.671 -9.953 4.641 1.00 0.00 H new ATOM 37 N LEU A 3 8.457 -8.633 1.241 1.00 0.00 N ATOM 38 CA LEU A 3 8.937 -8.576 -0.156 1.00 0.00 C ATOM 39 C LEU A 3 7.813 -8.886 -1.158 1.00 0.00 C ATOM 40 O LEU A 3 6.831 -9.546 -0.823 1.00 0.00 O ATOM 41 CB LEU A 3 10.108 -9.584 -0.360 1.00 0.00 C ATOM 42 CG LEU A 3 11.348 -9.394 0.567 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.387 -10.521 0.371 1.00 0.00 C ATOM 44 CD2 LEU A 3 11.977 -8.001 0.367 1.00 0.00 C ATOM 0 H LEU A 3 8.956 -9.314 1.814 1.00 0.00 H new ATOM 0 HA LEU A 3 9.286 -7.560 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.722 -10.593 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.441 -9.518 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 3 11.002 -9.458 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.236 -10.353 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.929 -11.482 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.730 -10.524 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.840 -7.893 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.295 -7.891 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.242 -7.232 0.604 1.00 0.00 H new ATOM 56 N HIS A 4 8.036 -8.476 -2.405 1.00 0.00 N ATOM 57 CA HIS A 4 7.056 -8.611 -3.498 1.00 0.00 C ATOM 58 C HIS A 4 7.610 -9.585 -4.563 1.00 0.00 C ATOM 59 O HIS A 4 6.853 -10.281 -5.248 1.00 0.00 O ATOM 60 CB HIS A 4 6.762 -7.211 -4.091 1.00 0.00 C ATOM 61 CG HIS A 4 5.634 -7.188 -5.100 1.00 0.00 C ATOM 62 ND1 HIS A 4 5.816 -7.440 -6.445 1.00 0.00 N ATOM 63 CD2 HIS A 4 4.306 -6.963 -4.941 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.650 -7.387 -7.065 1.00 0.00 C ATOM 65 NE2 HIS A 4 3.721 -7.094 -6.178 1.00 0.00 N ATOM 0 H HIS A 4 8.909 -8.035 -2.695 1.00 0.00 H new ATOM 0 HA HIS A 4 6.118 -9.023 -3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.520 -6.528 -3.277 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.667 -6.833 -4.566 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.802 -6.725 -4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.487 -7.555 -8.119 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.727 -6.982 -6.377 1.00 0.00 H new ATOM 74 N SER A 5 8.945 -9.614 -4.676 1.00 0.00 N ATOM 75 CA SER A 5 9.693 -10.562 -5.515 1.00 0.00 C ATOM 76 C SER A 5 11.122 -10.668 -4.959 1.00 0.00 C ATOM 77 O SER A 5 11.713 -9.646 -4.598 1.00 0.00 O ATOM 78 CB SER A 5 9.722 -10.089 -6.992 1.00 0.00 C ATOM 79 OG SER A 5 10.433 -10.998 -7.824 1.00 0.00 O ATOM 0 H SER A 5 9.550 -8.963 -4.175 1.00 0.00 H new ATOM 0 HA SER A 5 9.206 -11.537 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.701 -9.982 -7.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.186 -9.104 -7.049 1.00 0.00 H new ATOM 0 HG SER A 5 10.429 -10.668 -8.747 1.00 0.00 H new ATOM 85 N VAL A 6 11.666 -11.894 -4.888 1.00 0.00 N ATOM 86 CA VAL A 6 13.032 -12.146 -4.387 1.00 0.00 C ATOM 87 C VAL A 6 13.662 -13.344 -5.118 1.00 0.00 C ATOM 88 O VAL A 6 13.025 -14.391 -5.292 1.00 0.00 O ATOM 89 CB VAL A 6 13.061 -12.368 -2.823 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.172 -13.560 -2.370 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.518 -12.504 -2.302 1.00 0.00 C ATOM 0 H VAL A 6 11.173 -12.740 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 6 13.624 -11.255 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 6 12.627 -11.477 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.230 -13.666 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.138 -13.374 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.523 -14.477 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.506 -12.656 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.998 -13.356 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.074 -11.596 -2.534 1.00 0.00 H new ATOM 101 N GLU A 7 14.914 -13.162 -5.556 1.00 0.00 N ATOM 102 CA GLU A 7 15.693 -14.202 -6.239 1.00 0.00 C ATOM 103 C GLU A 7 16.362 -15.127 -5.209 1.00 0.00 C ATOM 104 O GLU A 7 16.981 -14.661 -4.244 1.00 0.00 O ATOM 105 CB GLU A 7 16.740 -13.548 -7.173 1.00 0.00 C ATOM 106 CG GLU A 7 16.113 -12.697 -8.286 1.00 0.00 C ATOM 107 CD GLU A 7 17.153 -11.987 -9.156 1.00 0.00 C ATOM 108 OE1 GLU A 7 17.546 -10.850 -8.820 1.00 0.00 O ATOM 109 OE2 GLU A 7 17.593 -12.558 -10.182 1.00 0.00 O ATOM 0 H GLU A 7 15.418 -12.282 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 7 15.026 -14.810 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.406 -12.923 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.353 -14.329 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.494 -13.334 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.453 -11.953 -7.839 1.00 0.00 H new ATOM 116 N THR A 8 16.199 -16.435 -5.430 1.00 0.00 N ATOM 117 CA THR A 8 16.712 -17.500 -4.558 1.00 0.00 C ATOM 118 C THR A 8 17.608 -18.459 -5.385 1.00 0.00 C ATOM 119 O THR A 8 17.431 -18.548 -6.601 1.00 0.00 O ATOM 120 CB THR A 8 15.521 -18.304 -3.927 1.00 0.00 C ATOM 121 OG1 THR A 8 14.727 -18.906 -4.963 1.00 0.00 O ATOM 122 CG2 THR A 8 14.616 -17.417 -3.058 1.00 0.00 C ATOM 0 H THR A 8 15.694 -16.793 -6.241 1.00 0.00 H new ATOM 0 HA THR A 8 17.299 -17.051 -3.756 1.00 0.00 H new ATOM 0 HB THR A 8 15.959 -19.072 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.988 -19.407 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.807 -18.018 -2.644 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.201 -16.986 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.197 -16.616 -3.668 1.00 0.00 H new ATOM 130 N PRO A 9 18.597 -19.177 -4.761 1.00 0.00 N ATOM 131 CA PRO A 9 19.398 -20.231 -5.461 1.00 0.00 C ATOM 132 C PRO A 9 18.534 -21.338 -6.123 1.00 0.00 C ATOM 133 O PRO A 9 18.957 -21.981 -7.090 1.00 0.00 O ATOM 134 CB PRO A 9 20.279 -20.814 -4.329 1.00 0.00 C ATOM 135 CG PRO A 9 20.418 -19.676 -3.364 1.00 0.00 C ATOM 136 CD PRO A 9 19.071 -18.980 -3.366 1.00 0.00 C ATOM 0 HA PRO A 9 19.962 -19.814 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.809 -21.680 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 9 21.249 -21.141 -4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.673 -20.035 -2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 9 21.212 -18.996 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 9 18.387 -19.421 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.162 -17.923 -3.116 1.00 0.00 H new ATOM 144 N ARG A 10 17.318 -21.540 -5.578 1.00 0.00 N ATOM 145 CA ARG A 10 16.363 -22.570 -6.050 1.00 0.00 C ATOM 146 C ARG A 10 15.414 -22.041 -7.164 1.00 0.00 C ATOM 147 O ARG A 10 14.767 -22.839 -7.860 1.00 0.00 O ATOM 148 CB ARG A 10 15.572 -23.134 -4.834 1.00 0.00 C ATOM 149 CG ARG A 10 14.743 -22.089 -4.049 1.00 0.00 C ATOM 150 CD ARG A 10 14.268 -22.611 -2.678 1.00 0.00 C ATOM 151 NE ARG A 10 15.409 -22.894 -1.784 1.00 0.00 N ATOM 152 CZ ARG A 10 15.380 -23.692 -0.706 1.00 0.00 C ATOM 153 NH1 ARG A 10 14.284 -24.353 -0.369 1.00 0.00 N ATOM 154 NH2 ARG A 10 16.472 -23.836 0.027 1.00 0.00 N ATOM 0 H ARG A 10 16.966 -20.992 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 10 16.932 -23.378 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.900 -23.916 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.277 -23.605 -4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.343 -21.191 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.876 -21.799 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.614 -21.873 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.679 -23.518 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 10 16.297 -22.443 -2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.439 -24.261 -0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.284 -24.954 0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.327 -23.342 -0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.459 -24.441 0.848 1.00 0.00 H new ATOM 168 N GLY A 11 15.346 -20.704 -7.335 1.00 0.00 N ATOM 169 CA GLY A 11 14.525 -20.081 -8.390 1.00 0.00 C ATOM 170 C GLY A 11 14.181 -18.627 -8.074 1.00 0.00 C ATOM 171 O GLY A 11 15.076 -17.817 -7.825 1.00 0.00 O ATOM 0 H GLY A 11 15.852 -20.036 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.060 -20.128 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.604 -20.651 -8.515 1.00 0.00 H new ATOM 175 N GLU A 12 12.882 -18.285 -8.086 1.00 0.00 N ATOM 176 CA GLU A 12 12.382 -16.968 -7.644 1.00 0.00 C ATOM 177 C GLU A 12 11.083 -17.174 -6.852 1.00 0.00 C ATOM 178 O GLU A 12 10.296 -18.076 -7.162 1.00 0.00 O ATOM 179 CB GLU A 12 12.150 -16.012 -8.851 1.00 0.00 C ATOM 180 CG GLU A 12 11.729 -14.577 -8.454 1.00 0.00 C ATOM 181 CD GLU A 12 11.391 -13.675 -9.652 1.00 0.00 C ATOM 182 OE1 GLU A 12 10.380 -13.946 -10.334 1.00 0.00 O ATOM 183 OE2 GLU A 12 12.117 -12.688 -9.916 1.00 0.00 O ATOM 0 H GLU A 12 12.145 -18.915 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 12 13.131 -16.498 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.066 -15.960 -9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.381 -16.439 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.861 -14.632 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.535 -14.118 -7.881 1.00 0.00 H new ATOM 190 N ILE A 13 10.859 -16.317 -5.848 1.00 0.00 N ATOM 191 CA ILE A 13 9.766 -16.448 -4.879 1.00 0.00 C ATOM 192 C ILE A 13 9.087 -15.075 -4.747 1.00 0.00 C ATOM 193 O ILE A 13 9.769 -14.069 -4.528 1.00 0.00 O ATOM 194 CB ILE A 13 10.299 -16.949 -3.474 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.075 -18.307 -3.587 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.151 -17.068 -2.447 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.250 -19.494 -4.058 1.00 0.00 C ATOM 0 H ILE A 13 11.444 -15.498 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 13 9.050 -17.193 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 13 11.002 -16.195 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.911 -18.172 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.499 -18.545 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.550 -17.414 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.681 -16.094 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.410 -17.780 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.881 -20.382 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.429 -19.666 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.847 -19.287 -5.049 1.00 0.00 H new ATOM 209 N LEU A 14 7.757 -15.025 -4.905 1.00 0.00 N ATOM 210 CA LEU A 14 6.991 -13.761 -4.889 1.00 0.00 C ATOM 211 C LEU A 14 6.221 -13.605 -3.564 1.00 0.00 C ATOM 212 O LEU A 14 5.775 -14.603 -2.993 1.00 0.00 O ATOM 213 CB LEU A 14 5.988 -13.736 -6.075 1.00 0.00 C ATOM 214 CG LEU A 14 6.583 -13.941 -7.505 1.00 0.00 C ATOM 215 CD1 LEU A 14 5.463 -13.997 -8.566 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.634 -12.862 -7.845 1.00 0.00 C ATOM 0 H LEU A 14 7.179 -15.854 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 14 7.694 -12.934 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.240 -14.510 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.466 -12.779 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 14 7.098 -14.902 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.903 -14.140 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.793 -14.827 -8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.901 -13.063 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.025 -13.038 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.170 -11.877 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.450 -12.909 -7.124 1.00 0.00 H new ATOM 228 N ASN A 15 6.086 -12.339 -3.113 1.00 0.00 N ATOM 229 CA ASN A 15 5.196 -11.915 -2.004 1.00 0.00 C ATOM 230 C ASN A 15 5.390 -12.745 -0.725 1.00 0.00 C ATOM 231 O ASN A 15 4.517 -13.525 -0.326 1.00 0.00 O ATOM 232 CB ASN A 15 3.712 -11.891 -2.460 1.00 0.00 C ATOM 233 CG ASN A 15 3.438 -10.946 -3.633 1.00 0.00 C ATOM 234 OD1 ASN A 15 4.099 -9.924 -3.803 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.460 -11.284 -4.452 1.00 0.00 N ATOM 0 H ASN A 15 6.606 -11.561 -3.519 1.00 0.00 H new ATOM 0 HA ASN A 15 5.485 -10.897 -1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.413 -12.900 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.088 -11.597 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.236 -10.691 -5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.928 -12.138 -4.286 1.00 0.00 H new ATOM 242 N VAL A 16 6.563 -12.578 -0.099 1.00 0.00 N ATOM 243 CA VAL A 16 6.957 -13.329 1.112 1.00 0.00 C ATOM 244 C VAL A 16 7.729 -12.422 2.064 1.00 0.00 C ATOM 245 O VAL A 16 8.234 -11.375 1.655 1.00 0.00 O ATOM 246 CB VAL A 16 7.840 -14.605 0.793 1.00 0.00 C ATOM 247 CG1 VAL A 16 7.020 -15.698 0.062 1.00 0.00 C ATOM 248 CG2 VAL A 16 9.130 -14.221 0.006 1.00 0.00 C ATOM 0 H VAL A 16 7.272 -11.916 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 16 6.031 -13.674 1.572 1.00 0.00 H new ATOM 0 HB VAL A 16 8.158 -15.030 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.659 -16.558 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.184 -16.007 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.640 -15.299 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.713 -15.119 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.854 -13.747 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.726 -13.528 0.600 1.00 0.00 H new ATOM 258 N SER A 17 7.821 -12.833 3.337 1.00 0.00 N ATOM 259 CA SER A 17 8.642 -12.138 4.339 1.00 0.00 C ATOM 260 C SER A 17 10.138 -12.306 4.012 1.00 0.00 C ATOM 261 O SER A 17 10.539 -13.310 3.428 1.00 0.00 O ATOM 262 CB SER A 17 8.340 -12.691 5.749 1.00 0.00 C ATOM 263 OG SER A 17 9.120 -12.050 6.750 1.00 0.00 O ATOM 0 H SER A 17 7.332 -13.651 3.699 1.00 0.00 H new ATOM 0 HA SER A 17 8.397 -11.076 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.282 -12.556 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.536 -13.763 5.768 1.00 0.00 H new ATOM 0 HG SER A 17 8.899 -12.426 7.628 1.00 0.00 H new ATOM 269 N GLU A 18 10.945 -11.307 4.385 1.00 0.00 N ATOM 270 CA GLU A 18 12.417 -11.394 4.318 1.00 0.00 C ATOM 271 C GLU A 18 12.931 -12.532 5.218 1.00 0.00 C ATOM 272 O GLU A 18 13.900 -13.215 4.885 1.00 0.00 O ATOM 273 CB GLU A 18 13.011 -10.055 4.781 1.00 0.00 C ATOM 274 CG GLU A 18 12.649 -8.870 3.871 1.00 0.00 C ATOM 275 CD GLU A 18 13.027 -7.511 4.453 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.237 -7.232 4.575 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.119 -6.731 4.822 1.00 0.00 O ATOM 0 H GLU A 18 10.602 -10.415 4.742 1.00 0.00 H new ATOM 0 HA GLU A 18 12.721 -11.604 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.664 -9.844 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.096 -10.146 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.148 -8.995 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.576 -8.887 3.677 1.00 0.00 H new ATOM 284 N GLN A 19 12.230 -12.716 6.348 1.00 0.00 N ATOM 285 CA GLN A 19 12.548 -13.738 7.352 1.00 0.00 C ATOM 286 C GLN A 19 12.350 -15.139 6.745 1.00 0.00 C ATOM 287 O GLN A 19 13.220 -15.996 6.866 1.00 0.00 O ATOM 288 CB GLN A 19 11.639 -13.536 8.602 1.00 0.00 C ATOM 289 CG GLN A 19 11.653 -12.097 9.171 1.00 0.00 C ATOM 290 CD GLN A 19 13.021 -11.640 9.695 1.00 0.00 C ATOM 291 OE1 GLN A 19 13.804 -12.441 10.211 1.00 0.00 O ATOM 292 NE2 GLN A 19 13.323 -10.349 9.571 1.00 0.00 N ATOM 0 H GLN A 19 11.416 -12.151 6.591 1.00 0.00 H new ATOM 0 HA GLN A 19 13.589 -13.644 7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.615 -13.801 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.956 -14.227 9.383 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.326 -11.408 8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.926 -12.032 9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.656 -9.708 9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.221 -10.001 9.907 1.00 0.00 H new ATOM 301 N GLU A 20 11.203 -15.333 6.059 1.00 0.00 N ATOM 302 CA GLU A 20 10.838 -16.618 5.421 1.00 0.00 C ATOM 303 C GLU A 20 11.735 -16.895 4.199 1.00 0.00 C ATOM 304 O GLU A 20 12.179 -18.031 3.988 1.00 0.00 O ATOM 305 CB GLU A 20 9.338 -16.626 5.004 1.00 0.00 C ATOM 306 CG GLU A 20 8.863 -17.945 4.356 1.00 0.00 C ATOM 307 CD GLU A 20 7.365 -17.956 4.018 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.965 -17.339 3.009 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.570 -18.583 4.760 1.00 0.00 O ATOM 0 H GLU A 20 10.503 -14.602 5.931 1.00 0.00 H new ATOM 0 HA GLU A 20 10.994 -17.411 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.728 -16.428 5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.164 -15.808 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.434 -18.119 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.081 -18.772 5.032 1.00 0.00 H new ATOM 316 N ALA A 21 11.944 -15.842 3.387 1.00 0.00 N ATOM 317 CA ALA A 21 12.887 -15.857 2.249 1.00 0.00 C ATOM 318 C ALA A 21 14.254 -16.451 2.644 1.00 0.00 C ATOM 319 O ALA A 21 14.765 -17.328 1.959 1.00 0.00 O ATOM 320 CB ALA A 21 13.057 -14.438 1.675 1.00 0.00 C ATOM 0 H ALA A 21 11.461 -14.951 3.501 1.00 0.00 H new ATOM 0 HA ALA A 21 12.464 -16.501 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.754 -14.465 0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.092 -14.066 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.446 -13.776 2.449 1.00 0.00 H new ATOM 326 N ARG A 22 14.804 -16.005 3.781 1.00 0.00 N ATOM 327 CA ARG A 22 16.099 -16.505 4.298 1.00 0.00 C ATOM 328 C ARG A 22 15.958 -17.896 4.948 1.00 0.00 C ATOM 329 O ARG A 22 16.857 -18.731 4.821 1.00 0.00 O ATOM 330 CB ARG A 22 16.678 -15.505 5.323 1.00 0.00 C ATOM 331 CG ARG A 22 16.959 -14.115 4.743 1.00 0.00 C ATOM 332 CD ARG A 22 17.500 -13.125 5.778 1.00 0.00 C ATOM 333 NE ARG A 22 18.830 -13.515 6.281 1.00 0.00 N ATOM 334 CZ ARG A 22 19.925 -12.738 6.269 1.00 0.00 C ATOM 335 NH1 ARG A 22 19.871 -11.488 5.804 1.00 0.00 N ATOM 336 NH2 ARG A 22 21.075 -13.213 6.720 1.00 0.00 N ATOM 0 H ARG A 22 14.373 -15.292 4.370 1.00 0.00 H new ATOM 0 HA ARG A 22 16.779 -16.600 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.980 -15.407 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.604 -15.912 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.677 -14.207 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.040 -13.715 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.559 -12.132 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.803 -13.058 6.613 1.00 0.00 H new ATOM 0 HE ARG A 22 18.926 -14.453 6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.990 -11.112 5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.710 -10.908 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.128 -14.167 7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.908 -12.625 6.712 1.00 0.00 H new ATOM 350 N ASP A 23 14.810 -18.139 5.616 1.00 0.00 N ATOM 351 CA ASP A 23 14.605 -19.327 6.474 1.00 0.00 C ATOM 352 C ASP A 23 14.351 -20.590 5.621 1.00 0.00 C ATOM 353 O ASP A 23 15.139 -21.539 5.644 1.00 0.00 O ATOM 354 CB ASP A 23 13.421 -19.057 7.447 1.00 0.00 C ATOM 355 CG ASP A 23 13.104 -20.228 8.391 1.00 0.00 C ATOM 356 OD1 ASP A 23 13.851 -20.432 9.374 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.109 -20.946 8.156 1.00 0.00 O ATOM 0 H ASP A 23 14.001 -17.519 5.576 1.00 0.00 H new ATOM 0 HA ASP A 23 15.508 -19.510 7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.650 -18.175 8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.531 -18.824 6.863 1.00 0.00 H new ATOM 362 N VAL A 24 13.258 -20.562 4.850 1.00 0.00 N ATOM 363 CA VAL A 24 12.833 -21.686 3.994 1.00 0.00 C ATOM 364 C VAL A 24 13.639 -21.709 2.685 1.00 0.00 C ATOM 365 O VAL A 24 14.235 -22.730 2.316 1.00 0.00 O ATOM 366 CB VAL A 24 11.289 -21.585 3.661 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.807 -22.782 2.798 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.443 -21.447 4.955 1.00 0.00 C ATOM 0 H VAL A 24 12.636 -19.755 4.799 1.00 0.00 H new ATOM 0 HA VAL A 24 13.019 -22.609 4.543 1.00 0.00 H new ATOM 0 HB VAL A 24 11.144 -20.681 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.742 -22.676 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.359 -22.799 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.981 -23.713 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.387 -21.380 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.605 -22.318 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.742 -20.546 5.491 1.00 0.00 H new ATOM 378 N PHE A 25 13.677 -20.555 2.012 1.00 0.00 N ATOM 379 CA PHE A 25 14.126 -20.457 0.612 1.00 0.00 C ATOM 380 C PHE A 25 15.634 -20.168 0.490 1.00 0.00 C ATOM 381 O PHE A 25 16.190 -20.303 -0.613 1.00 0.00 O ATOM 382 CB PHE A 25 13.289 -19.377 -0.121 1.00 0.00 C ATOM 383 CG PHE A 25 11.776 -19.592 0.001 1.00 0.00 C ATOM 384 CD1 PHE A 25 11.167 -20.705 -0.587 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.966 -18.708 0.717 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.806 -20.918 -0.466 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.604 -18.925 0.839 1.00 0.00 C ATOM 388 CZ PHE A 25 9.026 -20.030 0.245 1.00 0.00 C ATOM 0 H PHE A 25 13.399 -19.662 2.418 1.00 0.00 H new ATOM 0 HA PHE A 25 13.967 -21.426 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.543 -18.396 0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.563 -19.369 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.768 -21.408 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.409 -17.841 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.353 -21.782 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.994 -18.231 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.963 -20.199 0.337 1.00 0.00 H new ATOM 398 N GLY A 26 16.283 -19.774 1.610 1.00 0.00 N ATOM 399 CA GLY A 26 17.722 -19.456 1.630 1.00 0.00 C ATOM 400 C GLY A 26 18.106 -18.397 0.603 1.00 0.00 C ATOM 401 O GLY A 26 19.114 -18.534 -0.100 1.00 0.00 O ATOM 0 H GLY A 26 15.825 -19.670 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.999 -19.108 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.293 -20.365 1.440 1.00 0.00 H new ATOM 405 N ALA A 27 17.276 -17.343 0.533 1.00 0.00 N ATOM 406 CA ALA A 27 17.330 -16.322 -0.523 1.00 0.00 C ATOM 407 C ALA A 27 18.612 -15.496 -0.463 1.00 0.00 C ATOM 408 O ALA A 27 19.228 -15.353 0.600 1.00 0.00 O ATOM 409 CB ALA A 27 16.107 -15.400 -0.423 1.00 0.00 C ATOM 0 H ALA A 27 16.539 -17.175 1.218 1.00 0.00 H new ATOM 0 HA ALA A 27 17.323 -16.843 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.154 -14.646 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.197 -15.989 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.100 -14.909 0.550 1.00 0.00 H new ATOM 415 N SER A 28 19.002 -14.963 -1.623 1.00 0.00 N ATOM 416 CA SER A 28 20.153 -14.079 -1.747 1.00 0.00 C ATOM 417 C SER A 28 19.863 -12.758 -1.012 1.00 0.00 C ATOM 418 O SER A 28 18.849 -12.108 -1.292 1.00 0.00 O ATOM 419 CB SER A 28 20.458 -13.836 -3.246 1.00 0.00 C ATOM 420 OG SER A 28 20.623 -15.066 -3.949 1.00 0.00 O ATOM 0 H SER A 28 18.522 -15.137 -2.506 1.00 0.00 H new ATOM 0 HA SER A 28 21.031 -14.537 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 28 19.647 -13.264 -3.696 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.363 -13.236 -3.342 1.00 0.00 H new ATOM 0 HG SER A 28 20.813 -14.881 -4.892 1.00 0.00 H new ATOM 426 N GLU A 29 20.749 -12.380 -0.067 1.00 0.00 N ATOM 427 CA GLU A 29 20.619 -11.128 0.701 1.00 0.00 C ATOM 428 C GLU A 29 20.729 -9.919 -0.243 1.00 0.00 C ATOM 429 O GLU A 29 20.126 -8.881 0.001 1.00 0.00 O ATOM 430 CB GLU A 29 21.706 -11.052 1.799 1.00 0.00 C ATOM 431 CG GLU A 29 21.620 -12.157 2.865 1.00 0.00 C ATOM 432 CD GLU A 29 22.775 -12.108 3.880 1.00 0.00 C ATOM 433 OE1 GLU A 29 22.691 -11.335 4.866 1.00 0.00 O ATOM 434 OE2 GLU A 29 23.779 -12.834 3.707 1.00 0.00 O ATOM 0 H GLU A 29 21.570 -12.932 0.183 1.00 0.00 H new ATOM 0 HA GLU A 29 19.641 -11.112 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 29 22.686 -11.099 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.637 -10.083 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.673 -12.067 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.618 -13.129 2.372 1.00 0.00 H new ATOM 441 N GLN A 30 21.509 -10.099 -1.328 1.00 0.00 N ATOM 442 CA GLN A 30 21.629 -9.127 -2.432 1.00 0.00 C ATOM 443 C GLN A 30 20.247 -8.823 -3.048 1.00 0.00 C ATOM 444 O GLN A 30 19.898 -7.654 -3.273 1.00 0.00 O ATOM 445 CB GLN A 30 22.560 -9.702 -3.530 1.00 0.00 C ATOM 446 CG GLN A 30 23.984 -10.059 -3.059 1.00 0.00 C ATOM 447 CD GLN A 30 24.822 -10.727 -4.150 1.00 0.00 C ATOM 448 OE1 GLN A 30 25.537 -10.062 -4.897 1.00 0.00 O ATOM 449 NE2 GLN A 30 24.726 -12.044 -4.262 1.00 0.00 N ATOM 0 H GLN A 30 22.080 -10.933 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 30 22.047 -8.203 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.097 -10.597 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 30 22.633 -8.976 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.488 -9.153 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 30 23.920 -10.725 -2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.124 -12.567 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 30 25.254 -12.534 -4.984 1.00 0.00 H new ATOM 458 N ALA A 31 19.471 -9.899 -3.295 1.00 0.00 N ATOM 459 CA ALA A 31 18.121 -9.798 -3.863 1.00 0.00 C ATOM 460 C ALA A 31 17.179 -9.132 -2.851 1.00 0.00 C ATOM 461 O ALA A 31 16.585 -8.122 -3.161 1.00 0.00 O ATOM 462 CB ALA A 31 17.586 -11.178 -4.278 1.00 0.00 C ATOM 0 H ALA A 31 19.766 -10.857 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 31 18.170 -9.182 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.585 -11.070 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.246 -11.614 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.547 -11.831 -3.406 1.00 0.00 H new ATOM 468 N ILE A 32 17.068 -9.724 -1.640 1.00 0.00 N ATOM 469 CA ILE A 32 16.354 -9.127 -0.461 1.00 0.00 C ATOM 470 C ILE A 32 16.681 -7.631 -0.209 1.00 0.00 C ATOM 471 O ILE A 32 15.811 -6.880 0.232 1.00 0.00 O ATOM 472 CB ILE A 32 16.673 -9.956 0.851 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.310 -11.454 0.652 1.00 0.00 C ATOM 474 CG2 ILE A 32 15.962 -9.383 2.113 1.00 0.00 C ATOM 475 CD1 ILE A 32 16.791 -12.383 1.746 1.00 0.00 C ATOM 0 H ILE A 32 17.472 -10.639 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 32 15.293 -9.179 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 32 17.745 -9.868 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.226 -11.542 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.727 -11.790 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.217 -9.990 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.288 -8.356 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.883 -9.401 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.488 -13.404 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 32 17.878 -12.333 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.354 -12.081 2.698 1.00 0.00 H new ATOM 487 N ALA A 33 17.915 -7.201 -0.529 1.00 0.00 N ATOM 488 CA ALA A 33 18.331 -5.796 -0.354 1.00 0.00 C ATOM 489 C ALA A 33 17.661 -4.925 -1.437 1.00 0.00 C ATOM 490 O ALA A 33 16.966 -3.955 -1.130 1.00 0.00 O ATOM 491 CB ALA A 33 19.867 -5.663 -0.417 1.00 0.00 C ATOM 0 H ALA A 33 18.642 -7.806 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 33 18.012 -5.452 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.147 -4.618 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.317 -6.262 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.223 -6.015 -1.385 1.00 0.00 H new ATOM 497 N ASP A 34 17.888 -5.313 -2.705 1.00 0.00 N ATOM 498 CA ASP A 34 17.275 -4.677 -3.902 1.00 0.00 C ATOM 499 C ASP A 34 15.727 -4.712 -3.854 1.00 0.00 C ATOM 500 O ASP A 34 15.057 -3.772 -4.292 1.00 0.00 O ATOM 501 CB ASP A 34 17.779 -5.390 -5.193 1.00 0.00 C ATOM 502 CG ASP A 34 17.639 -4.516 -6.457 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.578 -3.755 -6.761 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.601 -4.574 -7.145 1.00 0.00 O ATOM 0 H ASP A 34 18.510 -6.087 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 34 17.579 -3.630 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.825 -5.667 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.219 -6.315 -5.333 1.00 0.00 H new ATOM 509 N ALA A 35 15.196 -5.798 -3.277 1.00 0.00 N ATOM 510 CA ALA A 35 13.758 -6.107 -3.262 1.00 0.00 C ATOM 511 C ALA A 35 13.047 -5.286 -2.191 1.00 0.00 C ATOM 512 O ALA A 35 11.983 -4.719 -2.447 1.00 0.00 O ATOM 513 CB ALA A 35 13.536 -7.605 -3.009 1.00 0.00 C ATOM 0 H ALA A 35 15.762 -6.499 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 35 13.341 -5.849 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.467 -7.818 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.015 -8.182 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.968 -7.879 -2.047 1.00 0.00 H new ATOM 519 N ARG A 36 13.656 -5.237 -0.983 1.00 0.00 N ATOM 520 CA ARG A 36 13.146 -4.417 0.130 1.00 0.00 C ATOM 521 C ARG A 36 13.201 -2.946 -0.271 1.00 0.00 C ATOM 522 O ARG A 36 12.223 -2.233 -0.103 1.00 0.00 O ATOM 523 CB ARG A 36 13.938 -4.637 1.450 1.00 0.00 C ATOM 524 CG ARG A 36 13.414 -3.790 2.639 1.00 0.00 C ATOM 525 CD ARG A 36 14.214 -3.989 3.934 1.00 0.00 C ATOM 526 NE ARG A 36 15.625 -3.582 3.804 1.00 0.00 N ATOM 527 CZ ARG A 36 16.676 -4.251 4.316 1.00 0.00 C ATOM 528 NH1 ARG A 36 16.530 -5.463 4.844 1.00 0.00 N ATOM 529 NH2 ARG A 36 17.884 -3.723 4.238 1.00 0.00 N ATOM 0 H ARG A 36 14.503 -5.759 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 36 12.118 -4.724 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.893 -5.692 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.987 -4.397 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.441 -2.736 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.370 -4.044 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.748 -3.415 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.169 -5.038 4.226 1.00 0.00 H new ATOM 0 HE ARG A 36 15.821 -2.726 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.610 -5.902 4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.338 -5.953 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.016 -2.815 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.685 -4.223 4.623 1.00 0.00 H new ATOM 543 N LYS A 37 14.363 -2.521 -0.806 1.00 0.00 N ATOM 544 CA LYS A 37 14.553 -1.186 -1.417 1.00 0.00 C ATOM 545 C LYS A 37 13.395 -0.806 -2.354 1.00 0.00 C ATOM 546 O LYS A 37 12.808 0.257 -2.200 1.00 0.00 O ATOM 547 CB LYS A 37 15.874 -1.141 -2.223 1.00 0.00 C ATOM 548 CG LYS A 37 16.163 0.200 -2.954 1.00 0.00 C ATOM 549 CD LYS A 37 17.308 0.083 -3.983 1.00 0.00 C ATOM 550 CE LYS A 37 16.978 -0.901 -5.122 1.00 0.00 C ATOM 551 NZ LYS A 37 18.081 -1.014 -6.099 1.00 0.00 N ATOM 0 H LYS A 37 15.204 -3.098 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 37 14.585 -0.470 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.701 -1.351 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.856 -1.942 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.258 0.535 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.418 0.963 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.515 1.066 -4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.216 -0.244 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.766 -1.884 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.074 -0.572 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.231 -2.015 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.837 -0.484 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.952 -0.622 -5.686 1.00 0.00 H new ATOM 565 N ALA A 38 13.029 -1.724 -3.269 1.00 0.00 N ATOM 566 CA ALA A 38 12.068 -1.429 -4.341 1.00 0.00 C ATOM 567 C ALA A 38 10.637 -1.337 -3.778 1.00 0.00 C ATOM 568 O ALA A 38 9.878 -0.439 -4.147 1.00 0.00 O ATOM 569 CB ALA A 38 12.139 -2.510 -5.436 1.00 0.00 C ATOM 0 H ALA A 38 13.388 -2.679 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 38 12.330 -0.466 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.422 -2.278 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.144 -2.536 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.902 -3.482 -5.004 1.00 0.00 H new ATOM 575 N THR A 39 10.304 -2.277 -2.861 1.00 0.00 N ATOM 576 CA THR A 39 8.966 -2.386 -2.246 1.00 0.00 C ATOM 577 C THR A 39 8.702 -1.198 -1.297 1.00 0.00 C ATOM 578 O THR A 39 7.643 -0.582 -1.372 1.00 0.00 O ATOM 579 CB THR A 39 8.804 -3.745 -1.475 1.00 0.00 C ATOM 580 OG1 THR A 39 9.158 -4.833 -2.341 1.00 0.00 O ATOM 581 CG2 THR A 39 7.367 -3.968 -0.972 1.00 0.00 C ATOM 0 H THR A 39 10.961 -2.982 -2.528 1.00 0.00 H new ATOM 0 HA THR A 39 8.230 -2.361 -3.049 1.00 0.00 H new ATOM 0 HB THR A 39 9.464 -3.702 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.132 -4.870 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.309 -4.921 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.090 -3.162 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.682 -3.979 -1.820 1.00 0.00 H new ATOM 589 N ILE A 40 9.699 -0.874 -0.440 1.00 0.00 N ATOM 590 CA ILE A 40 9.647 0.291 0.476 1.00 0.00 C ATOM 591 C ILE A 40 9.448 1.579 -0.343 1.00 0.00 C ATOM 592 O ILE A 40 8.411 2.218 -0.232 1.00 0.00 O ATOM 593 CB ILE A 40 10.960 0.396 1.371 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.027 -0.777 2.410 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.091 1.774 2.081 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.947 -0.748 3.471 1.00 0.00 C ATOM 0 H ILE A 40 10.562 -1.413 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 40 8.804 0.156 1.154 1.00 0.00 H new ATOM 0 HB ILE A 40 11.809 0.308 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.964 -1.723 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.000 -0.754 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.003 1.791 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.132 2.566 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.230 1.932 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.074 -1.597 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.020 0.179 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.968 -0.806 2.995 1.00 0.00 H new ATOM 608 N LEU A 41 10.417 1.853 -1.240 1.00 0.00 N ATOM 609 CA LEU A 41 10.467 3.075 -2.094 1.00 0.00 C ATOM 610 C LEU A 41 9.168 3.277 -2.904 1.00 0.00 C ATOM 611 O LEU A 41 8.720 4.416 -3.108 1.00 0.00 O ATOM 612 CB LEU A 41 11.756 3.006 -2.996 1.00 0.00 C ATOM 613 CG LEU A 41 11.791 3.809 -4.356 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.219 4.335 -4.669 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.266 2.945 -5.540 1.00 0.00 C ATOM 0 H LEU A 41 11.205 1.225 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 41 10.535 3.959 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.597 3.347 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.936 1.957 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 41 11.129 4.666 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.207 4.883 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.546 4.998 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.908 3.494 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.304 3.528 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.889 2.057 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.237 2.644 -5.343 1.00 0.00 H new ATOM 627 N GLN A 42 8.541 2.166 -3.295 1.00 0.00 N ATOM 628 CA GLN A 42 7.305 2.169 -4.088 1.00 0.00 C ATOM 629 C GLN A 42 6.122 2.530 -3.174 1.00 0.00 C ATOM 630 O GLN A 42 5.307 3.396 -3.507 1.00 0.00 O ATOM 631 CB GLN A 42 7.120 0.766 -4.710 1.00 0.00 C ATOM 632 CG GLN A 42 5.864 0.559 -5.566 1.00 0.00 C ATOM 633 CD GLN A 42 5.782 -0.860 -6.122 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.229 -1.142 -7.234 1.00 0.00 O ATOM 635 NE2 GLN A 42 5.255 -1.772 -5.328 1.00 0.00 N ATOM 0 H GLN A 42 8.878 1.230 -3.070 1.00 0.00 H new ATOM 0 HA GLN A 42 7.357 2.907 -4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.993 0.548 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.108 0.033 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.978 0.766 -4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.865 1.272 -6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.894 -1.504 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.209 -2.745 -5.629 1.00 0.00 H new ATOM 644 N THR A 43 6.094 1.871 -1.995 1.00 0.00 N ATOM 645 CA THR A 43 5.064 2.062 -0.948 1.00 0.00 C ATOM 646 C THR A 43 5.089 3.504 -0.399 1.00 0.00 C ATOM 647 O THR A 43 4.045 4.046 -0.086 1.00 0.00 O ATOM 648 CB THR A 43 5.247 1.026 0.230 1.00 0.00 C ATOM 649 OG1 THR A 43 5.134 -0.316 -0.283 1.00 0.00 O ATOM 650 CG2 THR A 43 4.227 1.202 1.379 1.00 0.00 C ATOM 0 H THR A 43 6.798 1.179 -1.739 1.00 0.00 H new ATOM 0 HA THR A 43 4.093 1.887 -1.411 1.00 0.00 H new ATOM 0 HB THR A 43 6.237 1.213 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.974 -0.571 -0.719 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.416 0.455 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.329 2.199 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.216 1.075 0.991 1.00 0.00 H new ATOM 658 N LEU A 44 6.286 4.131 -0.338 1.00 0.00 N ATOM 659 CA LEU A 44 6.448 5.511 0.190 1.00 0.00 C ATOM 660 C LEU A 44 5.709 6.534 -0.703 1.00 0.00 C ATOM 661 O LEU A 44 5.218 7.559 -0.220 1.00 0.00 O ATOM 662 CB LEU A 44 7.951 5.894 0.315 1.00 0.00 C ATOM 663 CG LEU A 44 8.853 4.944 1.175 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.255 5.541 1.405 1.00 0.00 C ATOM 665 CD2 LEU A 44 8.178 4.522 2.506 1.00 0.00 C ATOM 0 H LEU A 44 7.159 3.704 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 44 6.005 5.535 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.373 5.946 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.012 6.896 0.739 1.00 0.00 H new ATOM 0 HG LEU A 44 8.981 4.030 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.850 4.852 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.745 5.701 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.164 6.493 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.847 3.865 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.963 5.409 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.248 3.995 2.291 1.00 0.00 H new ATOM 677 N ARG A 45 5.646 6.226 -2.011 1.00 0.00 N ATOM 678 CA ARG A 45 4.887 7.019 -2.991 1.00 0.00 C ATOM 679 C ARG A 45 3.381 6.710 -2.863 1.00 0.00 C ATOM 680 O ARG A 45 2.561 7.620 -2.772 1.00 0.00 O ATOM 681 CB ARG A 45 5.377 6.699 -4.427 1.00 0.00 C ATOM 682 CG ARG A 45 4.559 7.369 -5.561 1.00 0.00 C ATOM 683 CD ARG A 45 5.014 6.928 -6.965 1.00 0.00 C ATOM 684 NE ARG A 45 5.007 5.452 -7.130 1.00 0.00 N ATOM 685 CZ ARG A 45 4.069 4.736 -7.791 1.00 0.00 C ATOM 686 NH1 ARG A 45 2.984 5.322 -8.291 1.00 0.00 N ATOM 687 NH2 ARG A 45 4.220 3.422 -7.931 1.00 0.00 N ATOM 0 H ARG A 45 6.121 5.420 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 45 5.049 8.078 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.418 7.010 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.353 5.619 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.504 7.127 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.650 8.452 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.360 7.377 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.019 7.306 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 45 5.777 4.933 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.849 6.327 -8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.287 4.766 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.040 2.958 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.515 2.878 -8.429 1.00 0.00 H new ATOM 701 N ILE A 46 3.045 5.404 -2.839 1.00 0.00 N ATOM 702 CA ILE A 46 1.644 4.912 -2.912 1.00 0.00 C ATOM 703 C ILE A 46 0.862 5.130 -1.589 1.00 0.00 C ATOM 704 O ILE A 46 -0.370 5.203 -1.594 1.00 0.00 O ATOM 705 CB ILE A 46 1.615 3.392 -3.326 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.335 3.196 -4.696 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.169 2.824 -3.378 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.452 1.752 -5.140 1.00 0.00 C ATOM 0 H ILE A 46 3.735 4.656 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 46 1.141 5.503 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 46 2.148 2.831 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.795 3.756 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.335 3.626 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.201 1.774 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.293 2.915 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.416 3.384 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.965 1.707 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.019 1.188 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.456 1.320 -5.240 1.00 0.00 H new ATOM 720 N GLU A 47 1.593 5.273 -0.474 1.00 0.00 N ATOM 721 CA GLU A 47 1.015 5.349 0.898 1.00 0.00 C ATOM 722 C GLU A 47 0.057 6.564 1.017 1.00 0.00 C ATOM 723 O GLU A 47 -1.018 6.459 1.635 1.00 0.00 O ATOM 724 CB GLU A 47 2.169 5.420 1.960 1.00 0.00 C ATOM 725 CG GLU A 47 1.909 4.735 3.329 1.00 0.00 C ATOM 726 CD GLU A 47 0.670 5.248 4.084 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.750 6.319 4.708 1.00 0.00 O ATOM 728 OE2 GLU A 47 -0.381 4.575 4.066 1.00 0.00 O ATOM 0 H GLU A 47 2.611 5.341 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 47 0.430 4.450 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.061 4.973 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.396 6.470 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.800 3.663 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.786 4.875 3.961 1.00 0.00 H new ATOM 735 N ARG A 48 0.454 7.710 0.406 1.00 0.00 N ATOM 736 CA ARG A 48 -0.419 8.900 0.339 1.00 0.00 C ATOM 737 C ARG A 48 -1.676 8.592 -0.489 1.00 0.00 C ATOM 738 O ARG A 48 -2.766 8.980 -0.104 1.00 0.00 O ATOM 739 CB ARG A 48 0.303 10.146 -0.251 1.00 0.00 C ATOM 740 CG ARG A 48 0.872 9.953 -1.677 1.00 0.00 C ATOM 741 CD ARG A 48 1.279 11.267 -2.367 1.00 0.00 C ATOM 742 NE ARG A 48 2.033 12.152 -1.480 1.00 0.00 N ATOM 743 CZ ARG A 48 3.303 11.997 -1.095 1.00 0.00 C ATOM 744 NH1 ARG A 48 4.030 10.933 -1.461 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.828 12.903 -0.292 1.00 0.00 N ATOM 0 H ARG A 48 1.363 7.830 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.697 9.141 1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.397 10.981 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.119 10.425 0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.741 9.296 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.126 9.447 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.881 11.041 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.385 11.783 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 48 1.540 12.969 -1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.616 10.211 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.997 10.845 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.267 13.696 0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.795 12.810 0.018 1.00 0.00 H new ATOM 759 N ASP A 49 -1.509 7.850 -1.605 1.00 0.00 N ATOM 760 CA ASP A 49 -2.622 7.506 -2.519 1.00 0.00 C ATOM 761 C ASP A 49 -3.630 6.579 -1.822 1.00 0.00 C ATOM 762 O ASP A 49 -4.823 6.619 -2.123 1.00 0.00 O ATOM 763 CB ASP A 49 -2.087 6.837 -3.809 1.00 0.00 C ATOM 764 CG ASP A 49 -1.056 7.713 -4.539 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.447 8.729 -5.144 1.00 0.00 O ATOM 766 OD2 ASP A 49 0.145 7.395 -4.511 1.00 0.00 O ATOM 0 H ASP A 49 -0.607 7.475 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.130 8.431 -2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.632 5.879 -3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.921 6.627 -4.479 1.00 0.00 H new ATOM 771 N GLU A 50 -3.120 5.762 -0.877 1.00 0.00 N ATOM 772 CA GLU A 50 -3.929 4.817 -0.087 1.00 0.00 C ATOM 773 C GLU A 50 -4.820 5.548 0.926 1.00 0.00 C ATOM 774 O GLU A 50 -5.972 5.157 1.141 1.00 0.00 O ATOM 775 CB GLU A 50 -3.014 3.789 0.627 1.00 0.00 C ATOM 776 CG GLU A 50 -2.285 2.828 -0.333 1.00 0.00 C ATOM 777 CD GLU A 50 -3.242 1.962 -1.176 1.00 0.00 C ATOM 778 OE1 GLU A 50 -3.780 0.962 -0.644 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.466 2.270 -2.369 1.00 0.00 O ATOM 0 H GLU A 50 -2.128 5.741 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.585 4.283 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.273 4.326 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.615 3.204 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.648 3.408 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.631 2.176 0.245 1.00 0.00 H new ATOM 786 N ARG A 51 -4.283 6.606 1.553 1.00 0.00 N ATOM 787 CA ARG A 51 -5.064 7.461 2.472 1.00 0.00 C ATOM 788 C ARG A 51 -5.904 8.501 1.699 1.00 0.00 C ATOM 789 O ARG A 51 -6.875 9.027 2.243 1.00 0.00 O ATOM 790 CB ARG A 51 -4.171 8.104 3.565 1.00 0.00 C ATOM 791 CG ARG A 51 -2.989 8.943 3.060 1.00 0.00 C ATOM 792 CD ARG A 51 -2.087 9.429 4.207 1.00 0.00 C ATOM 793 NE ARG A 51 -1.482 8.324 4.960 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.820 7.951 6.208 1.00 0.00 C ATOM 795 NH1 ARG A 51 -2.861 8.509 6.827 1.00 0.00 N ATOM 796 NH2 ARG A 51 -1.134 6.993 6.813 1.00 0.00 N ATOM 0 H ARG A 51 -3.311 6.893 1.443 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.770 6.819 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.798 8.737 4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.781 7.310 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.398 8.351 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.367 9.804 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.298 10.061 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.672 10.048 4.886 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.743 7.794 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.411 9.227 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.108 8.218 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.355 6.543 6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.385 6.706 7.759 1.00 0.00 H new ATOM 810 N LEU A 52 -5.509 8.822 0.447 1.00 0.00 N ATOM 811 CA LEU A 52 -6.333 9.659 -0.461 1.00 0.00 C ATOM 812 C LEU A 52 -7.639 8.909 -0.815 1.00 0.00 C ATOM 813 O LEU A 52 -8.720 9.486 -0.737 1.00 0.00 O ATOM 814 CB LEU A 52 -5.556 10.069 -1.771 1.00 0.00 C ATOM 815 CG LEU A 52 -4.987 11.529 -1.821 1.00 0.00 C ATOM 816 CD1 LEU A 52 -3.828 11.735 -0.838 1.00 0.00 C ATOM 817 CD2 LEU A 52 -4.576 11.935 -3.259 1.00 0.00 C ATOM 0 H LEU A 52 -4.625 8.515 0.040 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.572 10.584 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.726 9.375 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.226 9.935 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.797 12.187 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.468 12.761 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.174 11.542 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.017 11.048 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.187 12.953 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.806 11.254 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.446 11.883 -3.914 1.00 0.00 H new ATOM 829 N ARG A 53 -7.512 7.617 -1.203 1.00 0.00 N ATOM 830 CA ARG A 53 -8.670 6.770 -1.600 1.00 0.00 C ATOM 831 C ARG A 53 -9.493 6.326 -0.371 1.00 0.00 C ATOM 832 O ARG A 53 -10.686 6.026 -0.499 1.00 0.00 O ATOM 833 CB ARG A 53 -8.204 5.544 -2.453 1.00 0.00 C ATOM 834 CG ARG A 53 -7.268 4.561 -1.722 1.00 0.00 C ATOM 835 CD ARG A 53 -6.606 3.517 -2.646 1.00 0.00 C ATOM 836 NE ARG A 53 -7.541 2.489 -3.134 1.00 0.00 N ATOM 837 CZ ARG A 53 -7.204 1.228 -3.440 1.00 0.00 C ATOM 838 NH1 ARG A 53 -5.972 0.768 -3.209 1.00 0.00 N ATOM 839 NH2 ARG A 53 -8.113 0.413 -3.956 1.00 0.00 N ATOM 0 H ARG A 53 -6.615 7.134 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.326 7.376 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.086 5.000 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.695 5.912 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.488 5.128 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.836 4.040 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.162 4.029 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.792 3.031 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.519 2.757 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.269 1.379 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.734 -0.194 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.063 0.746 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.862 -0.547 -4.191 1.00 0.00 H new ATOM 853 N ALA A 54 -8.844 6.288 0.816 1.00 0.00 N ATOM 854 CA ALA A 54 -9.524 6.024 2.099 1.00 0.00 C ATOM 855 C ALA A 54 -10.369 7.243 2.518 1.00 0.00 C ATOM 856 O ALA A 54 -11.551 7.116 2.846 1.00 0.00 O ATOM 857 CB ALA A 54 -8.493 5.661 3.187 1.00 0.00 C ATOM 0 H ALA A 54 -7.839 6.439 0.908 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.196 5.175 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.009 5.469 4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.945 4.769 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.796 6.488 3.318 1.00 0.00 H new ATOM 863 N CYS A 55 -9.753 8.435 2.449 1.00 0.00 N ATOM 864 CA CYS A 55 -10.417 9.716 2.749 1.00 0.00 C ATOM 865 C CYS A 55 -10.941 10.358 1.444 1.00 0.00 C ATOM 866 O CYS A 55 -10.953 11.579 1.301 1.00 0.00 O ATOM 867 CB CYS A 55 -9.423 10.646 3.491 1.00 0.00 C ATOM 868 SG CYS A 55 -8.826 9.966 5.058 1.00 0.00 S ATOM 0 H CYS A 55 -8.774 8.538 2.182 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.276 9.549 3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.570 10.844 2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.907 11.604 3.681 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.768 9.242 4.842 1.00 0.00 H new ATOM 874 N ASP A 56 -11.385 9.511 0.493 1.00 0.00 N ATOM 875 CA ASP A 56 -12.000 9.968 -0.772 1.00 0.00 C ATOM 876 C ASP A 56 -13.513 10.157 -0.598 1.00 0.00 C ATOM 877 O ASP A 56 -14.148 10.842 -1.401 1.00 0.00 O ATOM 878 CB ASP A 56 -11.717 8.961 -1.915 1.00 0.00 C ATOM 879 CG ASP A 56 -12.191 9.460 -3.294 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.579 10.411 -3.828 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.162 8.904 -3.850 1.00 0.00 O ATOM 0 H ASP A 56 -11.328 8.496 0.578 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.555 10.927 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.647 8.760 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.210 8.016 -1.688 1.00 0.00 H new ATOM 886 N TRP A 57 -14.073 9.548 0.476 1.00 0.00 N ATOM 887 CA TRP A 57 -15.512 9.649 0.814 1.00 0.00 C ATOM 888 C TRP A 57 -15.960 11.122 0.866 1.00 0.00 C ATOM 889 O TRP A 57 -17.057 11.454 0.447 1.00 0.00 O ATOM 890 CB TRP A 57 -15.819 8.933 2.166 1.00 0.00 C ATOM 891 CG TRP A 57 -15.135 9.550 3.373 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.891 9.263 3.852 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.663 10.586 4.231 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.611 10.051 4.940 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.681 10.867 5.194 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.874 11.292 4.272 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -14.862 11.830 6.186 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.053 12.252 5.249 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.052 12.510 6.197 1.00 0.00 C ATOM 0 H TRP A 57 -13.540 8.975 1.130 1.00 0.00 H new ATOM 0 HA TRP A 57 -16.077 9.147 0.029 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.896 8.941 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.517 7.889 2.087 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.223 8.523 3.436 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.743 10.032 5.475 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.653 11.089 3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.094 12.032 6.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -17.976 12.811 5.283 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.223 13.262 6.953 1.00 0.00 H new ATOM 910 N THR A 58 -15.054 11.983 1.356 1.00 0.00 N ATOM 911 CA THR A 58 -15.271 13.434 1.505 1.00 0.00 C ATOM 912 C THR A 58 -14.912 14.198 0.213 1.00 0.00 C ATOM 913 O THR A 58 -15.524 15.226 -0.104 1.00 0.00 O ATOM 914 CB THR A 58 -14.431 13.984 2.705 1.00 0.00 C ATOM 915 OG1 THR A 58 -14.474 15.421 2.744 1.00 0.00 O ATOM 916 CG2 THR A 58 -12.971 13.519 2.655 1.00 0.00 C ATOM 0 H THR A 58 -14.129 11.685 1.667 1.00 0.00 H new ATOM 0 HA THR A 58 -16.331 13.593 1.703 1.00 0.00 H new ATOM 0 HB THR A 58 -14.883 13.580 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.877 15.747 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.430 13.927 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.935 12.430 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.509 13.869 1.732 1.00 0.00 H new ATOM 924 N GLN A 59 -13.927 13.667 -0.526 1.00 0.00 N ATOM 925 CA GLN A 59 -13.355 14.330 -1.713 1.00 0.00 C ATOM 926 C GLN A 59 -14.192 14.071 -2.979 1.00 0.00 C ATOM 927 O GLN A 59 -14.014 14.760 -3.987 1.00 0.00 O ATOM 928 CB GLN A 59 -11.885 13.859 -1.902 1.00 0.00 C ATOM 929 CG GLN A 59 -10.969 14.153 -0.695 1.00 0.00 C ATOM 930 CD GLN A 59 -10.858 15.647 -0.358 1.00 0.00 C ATOM 931 OE1 GLN A 59 -9.979 16.343 -0.856 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.770 16.154 0.470 1.00 0.00 N ATOM 0 H GLN A 59 -13.502 12.763 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.371 15.408 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.880 12.786 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.470 14.344 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.348 13.620 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.973 13.760 -0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.489 15.550 0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.749 17.146 0.706 1.00 0.00 H new ATOM 941 N VAL A 60 -15.098 13.078 -2.915 1.00 0.00 N ATOM 942 CA VAL A 60 -16.021 12.752 -4.015 1.00 0.00 C ATOM 943 C VAL A 60 -17.269 13.672 -3.930 1.00 0.00 C ATOM 944 O VAL A 60 -17.618 14.150 -2.841 1.00 0.00 O ATOM 945 CB VAL A 60 -16.410 11.216 -3.975 1.00 0.00 C ATOM 946 CG1 VAL A 60 -17.369 10.880 -2.806 1.00 0.00 C ATOM 947 CG2 VAL A 60 -16.968 10.727 -5.333 1.00 0.00 C ATOM 0 H VAL A 60 -15.210 12.479 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 60 -15.532 12.932 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.487 10.668 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.605 9.816 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.890 11.130 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.288 11.457 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -17.222 9.669 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.861 11.299 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.215 10.868 -6.108 1.00 0.00 H new ATOM 957 N GLN A 61 -17.929 13.929 -5.073 1.00 0.00 N ATOM 958 CA GLN A 61 -19.077 14.870 -5.151 1.00 0.00 C ATOM 959 C GLN A 61 -20.350 14.287 -4.485 1.00 0.00 C ATOM 960 O GLN A 61 -21.247 15.034 -4.082 1.00 0.00 O ATOM 961 CB GLN A 61 -19.346 15.240 -6.639 1.00 0.00 C ATOM 962 CG GLN A 61 -20.378 16.369 -6.867 1.00 0.00 C ATOM 963 CD GLN A 61 -20.520 16.798 -8.330 1.00 0.00 C ATOM 964 OE1 GLN A 61 -20.354 16.000 -9.250 1.00 0.00 O ATOM 965 NE2 GLN A 61 -20.822 18.072 -8.552 1.00 0.00 N ATOM 0 H GLN A 61 -17.690 13.498 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.818 15.772 -4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.403 15.535 -7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.689 14.347 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.350 16.038 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.091 17.235 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.953 18.709 -7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.923 18.413 -9.508 1.00 0.00 H new ATOM 974 N ASP A 62 -20.392 12.947 -4.354 1.00 0.00 N ATOM 975 CA ASP A 62 -21.569 12.203 -3.837 1.00 0.00 C ATOM 976 C ASP A 62 -21.893 12.545 -2.372 1.00 0.00 C ATOM 977 O ASP A 62 -23.074 12.590 -1.997 1.00 0.00 O ATOM 978 CB ASP A 62 -21.353 10.678 -3.992 1.00 0.00 C ATOM 979 CG ASP A 62 -21.299 10.243 -5.464 1.00 0.00 C ATOM 980 OD1 ASP A 62 -20.236 10.403 -6.099 1.00 0.00 O ATOM 981 OD2 ASP A 62 -22.326 9.778 -6.009 1.00 0.00 O ATOM 0 H ASP A 62 -19.609 12.343 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.426 12.514 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.425 10.393 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -22.160 10.146 -3.488 1.00 0.00 H new ATOM 986 N VAL A 63 -20.851 12.774 -1.550 1.00 0.00 N ATOM 987 CA VAL A 63 -21.033 13.127 -0.125 1.00 0.00 C ATOM 988 C VAL A 63 -21.628 14.541 0.000 1.00 0.00 C ATOM 989 O VAL A 63 -21.311 15.430 -0.800 1.00 0.00 O ATOM 990 CB VAL A 63 -19.697 13.039 0.699 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.681 14.112 0.264 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.957 13.101 2.226 1.00 0.00 C ATOM 0 H VAL A 63 -19.876 12.722 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.722 12.394 0.295 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.258 12.066 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.773 14.015 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.440 13.979 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.110 15.102 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.009 13.037 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.450 14.041 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.596 12.268 2.520 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.487 14.729 0.997 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.166 16.000 1.252 1.00 0.00 C ATOM 1004 C VAL A 64 -22.465 16.698 2.432 1.00 0.00 C ATOM 1005 O VAL A 64 -22.835 16.516 3.598 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.701 15.768 1.520 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.465 17.111 1.654 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.326 14.859 0.420 1.00 0.00 C ATOM 0 H VAL A 64 -22.736 13.995 1.660 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.103 16.646 0.376 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.798 15.249 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.521 16.912 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.053 17.683 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.359 17.683 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.386 14.714 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.208 15.334 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.821 13.893 0.416 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.387 17.423 2.104 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.611 18.228 3.066 1.00 0.00 C ATOM 1020 C LEU A 65 -20.611 19.685 2.602 1.00 0.00 C ATOM 1021 O LEU A 65 -20.888 19.978 1.426 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.143 17.708 3.179 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.945 16.341 3.905 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.515 15.809 3.716 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.308 16.447 5.402 1.00 0.00 C ATOM 0 H LEU A 65 -21.022 17.470 1.153 1.00 0.00 H new ATOM 0 HA LEU A 65 -21.072 18.145 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.732 17.623 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.553 18.461 3.702 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.626 15.623 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.410 14.856 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.317 15.669 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.803 16.525 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.160 15.479 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.669 17.190 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.351 16.746 5.503 1.00 0.00 H new ATOM 1037 N THR A 66 -20.272 20.596 3.523 1.00 0.00 N ATOM 1038 CA THR A 66 -20.125 22.017 3.203 1.00 0.00 C ATOM 1039 C THR A 66 -18.776 22.236 2.498 1.00 0.00 C ATOM 1040 O THR A 66 -17.866 21.396 2.631 1.00 0.00 O ATOM 1041 CB THR A 66 -20.215 22.888 4.498 1.00 0.00 C ATOM 1042 OG1 THR A 66 -19.121 22.562 5.373 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.552 22.674 5.244 1.00 0.00 C ATOM 0 H THR A 66 -20.094 20.370 4.501 1.00 0.00 H new ATOM 0 HA THR A 66 -20.935 22.322 2.540 1.00 0.00 H new ATOM 0 HB THR A 66 -20.162 23.935 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.177 23.109 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.574 23.298 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.381 22.947 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.645 21.626 5.530 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.653 23.339 1.733 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.407 23.672 1.019 1.00 0.00 C ATOM 1053 C ALA A 67 -16.238 23.788 2.007 1.00 0.00 C ATOM 1054 O ALA A 67 -15.151 23.300 1.731 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.559 24.970 0.212 1.00 0.00 C ATOM 0 H ALA A 67 -19.404 24.015 1.594 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.195 22.864 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.624 25.190 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.358 24.852 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.803 25.791 0.886 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.510 24.424 3.161 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.537 24.587 4.259 1.00 0.00 C ATOM 1063 C ASP A 68 -15.007 23.223 4.769 1.00 0.00 C ATOM 1064 O ASP A 68 -13.799 23.059 4.909 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.168 25.401 5.419 1.00 0.00 C ATOM 1066 CG ASP A 68 -15.184 25.683 6.576 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -14.360 26.617 6.468 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -15.222 24.964 7.594 1.00 0.00 O ATOM 0 H ASP A 68 -17.418 24.843 3.360 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.682 25.137 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.539 26.348 5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.029 24.857 5.808 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.918 22.253 5.034 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.526 20.872 5.468 1.00 0.00 C ATOM 1075 C GLN A 69 -14.697 20.169 4.373 1.00 0.00 C ATOM 1076 O GLN A 69 -13.618 19.645 4.637 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.770 20.013 5.844 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.442 20.425 7.166 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.620 19.529 7.540 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.455 18.513 8.222 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.813 19.895 7.096 1.00 0.00 N ATOM 0 H GLN A 69 -16.926 22.392 4.958 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.910 20.974 6.361 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.502 20.082 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.469 18.968 5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.703 20.398 7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.787 21.456 7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.911 20.741 6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.634 19.331 7.315 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.208 20.233 3.139 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.563 19.678 1.924 1.00 0.00 C ATOM 1092 C LYS A 70 -13.213 20.359 1.627 1.00 0.00 C ATOM 1093 O LYS A 70 -12.349 19.756 0.996 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.533 19.779 0.709 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.594 18.653 0.668 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.733 18.921 -0.352 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.510 17.647 -0.733 1.00 0.00 C ATOM 1098 NZ LYS A 70 -17.662 16.684 -1.492 1.00 0.00 N ATOM 0 H LYS A 70 -16.103 20.681 2.943 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.346 18.626 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.040 20.744 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.952 19.753 -0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.105 17.711 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.026 18.534 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.425 19.651 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.310 19.365 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.885 17.167 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.378 17.918 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.266 15.961 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.137 17.192 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.990 16.227 -0.843 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.048 21.603 2.119 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.847 22.426 1.855 1.00 0.00 C ATOM 1114 C ALA A 71 -10.758 22.044 2.873 1.00 0.00 C ATOM 1115 O ALA A 71 -9.604 21.871 2.521 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.165 23.932 1.953 1.00 0.00 C ATOM 0 H ALA A 71 -13.740 22.066 2.709 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.499 22.233 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.262 24.508 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.930 24.191 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.529 24.163 2.954 1.00 0.00 H new ATOM 1122 N THR A 72 -11.182 21.957 4.151 1.00 0.00 N ATOM 1123 CA THR A 72 -10.371 21.430 5.275 1.00 0.00 C ATOM 1124 C THR A 72 -9.785 20.033 4.927 1.00 0.00 C ATOM 1125 O THR A 72 -8.603 19.750 5.158 1.00 0.00 O ATOM 1126 CB THR A 72 -11.234 21.353 6.588 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.976 22.574 6.754 1.00 0.00 O ATOM 1128 CG2 THR A 72 -10.362 21.158 7.825 1.00 0.00 C ATOM 0 H THR A 72 -12.114 22.256 4.439 1.00 0.00 H new ATOM 0 HA THR A 72 -9.540 22.115 5.445 1.00 0.00 H new ATOM 0 HB THR A 72 -11.904 20.499 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.845 22.492 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.994 21.110 8.712 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.798 20.230 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.670 21.995 7.918 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.630 19.191 4.309 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.236 17.861 3.805 1.00 0.00 C ATOM 1138 C TRP A 73 -9.393 17.967 2.514 1.00 0.00 C ATOM 1139 O TRP A 73 -8.541 17.114 2.262 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.484 16.981 3.567 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.046 16.353 4.821 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.140 16.738 5.546 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.530 15.181 5.467 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.335 15.869 6.587 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.355 14.915 6.565 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.440 14.335 5.212 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.135 13.837 7.406 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.221 13.270 6.056 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.072 13.025 7.137 1.00 0.00 C ATOM 0 H TRP A 73 -11.612 19.413 4.143 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.614 17.390 4.567 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.259 17.588 3.099 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.228 16.191 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.757 17.598 5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.091 15.925 7.270 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.787 14.516 4.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.784 13.645 8.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.380 12.615 5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.884 12.173 7.774 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.645 19.014 1.705 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.847 19.316 0.491 1.00 0.00 C ATOM 1162 C ALA A 74 -7.450 19.836 0.865 1.00 0.00 C ATOM 1163 O ALA A 74 -6.527 19.757 0.058 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.574 20.334 -0.409 1.00 0.00 C ATOM 0 H ALA A 74 -10.404 19.675 1.870 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.730 18.387 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.968 20.538 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.537 19.925 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.733 21.260 0.144 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.319 20.386 2.091 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.036 20.878 2.633 1.00 0.00 C ATOM 1172 C LYS A 75 -5.212 19.694 3.136 1.00 0.00 C ATOM 1173 O LYS A 75 -3.987 19.717 3.061 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.269 21.911 3.777 1.00 0.00 C ATOM 1175 CG LYS A 75 -6.892 23.236 3.299 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.213 24.213 4.451 1.00 0.00 C ATOM 1177 CE LYS A 75 -7.908 25.499 3.963 1.00 0.00 C ATOM 1178 NZ LYS A 75 -8.166 26.439 5.082 1.00 0.00 N ATOM 0 H LYS A 75 -8.103 20.501 2.734 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.490 21.386 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.919 21.465 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.316 22.122 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.208 23.720 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.808 23.021 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.852 23.713 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.289 24.477 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.286 25.987 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.850 25.243 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.634 27.293 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.780 25.981 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.265 26.703 5.529 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.914 18.669 3.660 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.308 17.379 4.025 1.00 0.00 C ATOM 1194 C TYR A 76 -4.738 16.697 2.761 1.00 0.00 C ATOM 1195 O TYR A 76 -3.550 16.356 2.707 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.360 16.461 4.724 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.864 15.035 5.031 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.680 14.824 5.741 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.568 13.898 4.601 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.216 13.550 6.001 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.103 12.616 4.872 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.924 12.453 5.572 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.436 11.187 5.831 1.00 0.00 O ATOM 0 H TYR A 76 -6.917 18.715 3.841 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.493 17.552 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.671 16.932 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.244 16.395 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.116 15.675 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.488 14.022 4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.292 13.415 6.544 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.660 11.754 4.537 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.051 10.518 5.465 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.606 16.561 1.745 1.00 0.00 N ATOM 1214 CA ARG A 77 -5.301 15.845 0.492 1.00 0.00 C ATOM 1215 C ARG A 77 -4.177 16.545 -0.297 1.00 0.00 C ATOM 1216 O ARG A 77 -3.228 15.894 -0.762 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.576 15.733 -0.387 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.345 15.031 -1.750 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.624 14.885 -2.580 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.361 14.287 -3.900 1.00 0.00 N ATOM 1221 CZ ARG A 77 -7.296 14.960 -5.061 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -7.519 16.277 -5.113 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -7.027 14.297 -6.174 1.00 0.00 N ATOM 0 H ARG A 77 -6.549 16.948 1.769 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.957 14.845 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.339 15.186 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.969 16.734 -0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.611 15.598 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.919 14.043 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.339 14.266 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.085 15.864 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.216 13.278 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.744 16.790 -4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.465 16.769 -6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.872 13.289 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.974 14.794 -7.063 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.325 17.877 -0.490 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.328 18.696 -1.202 1.00 0.00 C ATOM 1239 C GLN A 78 -1.962 18.677 -0.502 1.00 0.00 C ATOM 1240 O GLN A 78 -0.947 18.551 -1.176 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.808 20.163 -1.398 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.883 21.020 -2.309 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.726 20.469 -3.740 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.676 20.604 -4.362 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.780 19.882 -4.292 1.00 0.00 N ATOM 0 H GLN A 78 -5.132 18.405 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.213 18.242 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.811 20.151 -1.826 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.883 20.642 -0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.281 22.033 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.898 21.089 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.644 19.779 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.727 19.534 -5.249 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.953 18.783 0.843 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.697 18.778 1.629 1.00 0.00 C ATOM 1256 C ALA A 79 0.096 17.476 1.389 1.00 0.00 C ATOM 1257 O ALA A 79 1.311 17.512 1.198 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.982 18.982 3.121 1.00 0.00 C ATOM 0 H ALA A 79 -2.797 18.873 1.408 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.084 19.613 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.043 18.974 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.482 19.939 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.623 18.178 3.482 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.626 16.339 1.401 1.00 0.00 N ATOM 1265 CA LEU A 80 -0.098 15.017 1.013 1.00 0.00 C ATOM 1266 C LEU A 80 0.624 15.055 -0.348 1.00 0.00 C ATOM 1267 O LEU A 80 1.844 14.888 -0.405 1.00 0.00 O ATOM 1268 CB LEU A 80 -1.275 13.995 0.991 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.768 13.531 2.398 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.215 13.013 2.373 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.828 12.458 2.947 1.00 0.00 C ATOM 0 H LEU A 80 -1.606 16.313 1.684 1.00 0.00 H new ATOM 0 HA LEU A 80 0.647 14.710 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.114 14.441 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.965 13.118 0.423 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.756 14.402 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.508 12.703 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.879 13.806 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.285 12.162 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.176 12.137 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.816 11.604 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.179 12.866 3.034 1.00 0.00 H new ATOM 1283 N ARG A 81 -0.136 15.310 -1.427 1.00 0.00 N ATOM 1284 CA ARG A 81 0.373 15.221 -2.820 1.00 0.00 C ATOM 1285 C ARG A 81 1.437 16.303 -3.130 1.00 0.00 C ATOM 1286 O ARG A 81 2.261 16.120 -4.027 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.794 15.294 -3.843 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.557 16.640 -3.871 1.00 0.00 C ATOM 1289 CD ARG A 81 -2.643 16.696 -4.961 1.00 0.00 C ATOM 1290 NE ARG A 81 -2.074 16.486 -6.308 1.00 0.00 N ATOM 1291 CZ ARG A 81 -1.671 17.456 -7.152 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -1.683 18.743 -6.789 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -1.206 17.120 -8.350 1.00 0.00 N ATOM 0 H ARG A 81 -1.117 15.583 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 81 0.862 14.252 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.397 15.098 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.503 14.497 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.018 16.810 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.846 17.450 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.398 15.936 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.146 17.662 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.978 15.522 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.002 19.007 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.373 19.461 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.157 16.138 -8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.898 17.844 -8.999 1.00 0.00 H new ATOM 1307 N ASP A 82 1.401 17.424 -2.386 1.00 0.00 N ATOM 1308 CA ASP A 82 2.316 18.566 -2.602 1.00 0.00 C ATOM 1309 C ASP A 82 3.723 18.262 -2.045 1.00 0.00 C ATOM 1310 O ASP A 82 4.714 18.454 -2.748 1.00 0.00 O ATOM 1311 CB ASP A 82 1.730 19.847 -1.953 1.00 0.00 C ATOM 1312 CG ASP A 82 2.616 21.097 -2.133 1.00 0.00 C ATOM 1313 OD1 ASP A 82 2.715 21.615 -3.268 1.00 0.00 O ATOM 1314 OD2 ASP A 82 3.190 21.586 -1.133 1.00 0.00 O ATOM 0 H ASP A 82 0.741 17.566 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 82 2.414 18.732 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.748 20.044 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.582 19.668 -0.888 1.00 0.00 H new ATOM 1319 N LEU A 83 3.779 17.761 -0.789 1.00 0.00 N ATOM 1320 CA LEU A 83 5.047 17.450 -0.074 1.00 0.00 C ATOM 1321 C LEU A 83 5.814 16.291 -0.768 1.00 0.00 C ATOM 1322 O LEU A 83 5.388 15.142 -0.662 1.00 0.00 O ATOM 1323 CB LEU A 83 4.750 17.078 1.414 1.00 0.00 C ATOM 1324 CG LEU A 83 4.198 18.227 2.315 1.00 0.00 C ATOM 1325 CD1 LEU A 83 3.698 17.688 3.677 1.00 0.00 C ATOM 1326 CD2 LEU A 83 5.248 19.351 2.488 1.00 0.00 C ATOM 0 H LEU A 83 2.945 17.559 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 83 5.676 18.340 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.031 16.259 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.669 16.702 1.863 1.00 0.00 H new ATOM 0 HG LEU A 83 3.336 18.663 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.321 18.515 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.899 16.965 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.522 17.204 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.837 20.138 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.145 18.943 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.502 19.765 1.512 1.00 0.00 H new ATOM 1338 N PRO A 84 6.954 16.575 -1.503 1.00 0.00 N ATOM 1339 CA PRO A 84 7.754 15.550 -2.205 1.00 0.00 C ATOM 1340 C PRO A 84 8.838 14.946 -1.269 1.00 0.00 C ATOM 1341 O PRO A 84 10.046 15.057 -1.523 1.00 0.00 O ATOM 1342 CB PRO A 84 8.373 16.351 -3.406 1.00 0.00 C ATOM 1343 CG PRO A 84 8.069 17.812 -3.143 1.00 0.00 C ATOM 1344 CD PRO A 84 7.576 17.903 -1.713 1.00 0.00 C ATOM 0 HA PRO A 84 7.173 14.689 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.448 16.183 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.941 16.028 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.959 18.424 -3.285 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.314 18.181 -3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.392 18.084 -1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.858 18.713 -1.582 1.00 0.00 H new ATOM 1352 N GLU A 85 8.369 14.311 -0.180 1.00 0.00 N ATOM 1353 CA GLU A 85 9.224 13.618 0.817 1.00 0.00 C ATOM 1354 C GLU A 85 9.935 12.370 0.222 1.00 0.00 C ATOM 1355 O GLU A 85 10.980 11.937 0.717 1.00 0.00 O ATOM 1356 CB GLU A 85 8.387 13.236 2.100 1.00 0.00 C ATOM 1357 CG GLU A 85 6.910 12.775 1.875 1.00 0.00 C ATOM 1358 CD GLU A 85 6.754 11.653 0.837 1.00 0.00 C ATOM 1359 OE1 GLU A 85 6.923 10.475 1.180 1.00 0.00 O ATOM 1360 OE2 GLU A 85 6.491 11.964 -0.350 1.00 0.00 O ATOM 0 H GLU A 85 7.374 14.261 0.041 1.00 0.00 H new ATOM 0 HA GLU A 85 10.008 14.317 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.914 12.438 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.374 14.099 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.498 12.436 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.317 13.633 1.558 1.00 0.00 H new ATOM 1367 N THR A 86 9.344 11.803 -0.837 1.00 0.00 N ATOM 1368 CA THR A 86 9.856 10.604 -1.518 1.00 0.00 C ATOM 1369 C THR A 86 10.705 10.995 -2.753 1.00 0.00 C ATOM 1370 O THR A 86 11.057 10.147 -3.584 1.00 0.00 O ATOM 1371 CB THR A 86 8.667 9.640 -1.887 1.00 0.00 C ATOM 1372 OG1 THR A 86 9.170 8.346 -2.245 1.00 0.00 O ATOM 1373 CG2 THR A 86 7.756 10.190 -3.010 1.00 0.00 C ATOM 0 H THR A 86 8.486 12.167 -1.251 1.00 0.00 H new ATOM 0 HA THR A 86 10.517 10.062 -0.841 1.00 0.00 H new ATOM 0 HB THR A 86 8.045 9.562 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.945 8.448 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.958 9.476 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.322 11.139 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.345 10.343 -3.914 1.00 0.00 H new ATOM 1381 N VAL A 87 11.064 12.296 -2.833 1.00 0.00 N ATOM 1382 CA VAL A 87 11.991 12.847 -3.845 1.00 0.00 C ATOM 1383 C VAL A 87 13.158 13.542 -3.107 1.00 0.00 C ATOM 1384 O VAL A 87 12.916 14.334 -2.188 1.00 0.00 O ATOM 1385 CB VAL A 87 11.278 13.887 -4.800 1.00 0.00 C ATOM 1386 CG1 VAL A 87 12.248 14.408 -5.901 1.00 0.00 C ATOM 1387 CG2 VAL A 87 9.993 13.287 -5.423 1.00 0.00 C ATOM 0 H VAL A 87 10.712 13.002 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 87 12.351 12.028 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 87 10.984 14.742 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.725 15.120 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.101 14.899 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.598 13.570 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.525 14.025 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.250 12.401 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.298 13.011 -4.629 1.00 0.00 H new ATOM 1397 N THR A 88 14.404 13.213 -3.512 1.00 0.00 N ATOM 1398 CA THR A 88 15.674 13.802 -2.991 1.00 0.00 C ATOM 1399 C THR A 88 15.804 13.747 -1.443 1.00 0.00 C ATOM 1400 O THR A 88 16.496 14.579 -0.835 1.00 0.00 O ATOM 1401 CB THR A 88 15.925 15.272 -3.515 1.00 0.00 C ATOM 1402 OG1 THR A 88 14.857 16.148 -3.123 1.00 0.00 O ATOM 1403 CG2 THR A 88 16.079 15.321 -5.047 1.00 0.00 C ATOM 0 H THR A 88 14.567 12.509 -4.232 1.00 0.00 H new ATOM 0 HA THR A 88 16.455 13.159 -3.397 1.00 0.00 H new ATOM 0 HB THR A 88 16.858 15.607 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.036 17.052 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.250 16.350 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 88 16.926 14.704 -5.347 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.170 14.944 -5.516 1.00 0.00 H new ATOM 1411 N ASP A 89 15.206 12.716 -0.822 1.00 0.00 N ATOM 1412 CA ASP A 89 15.180 12.570 0.651 1.00 0.00 C ATOM 1413 C ASP A 89 15.249 11.091 1.062 1.00 0.00 C ATOM 1414 O ASP A 89 14.903 10.200 0.278 1.00 0.00 O ATOM 1415 CB ASP A 89 13.910 13.245 1.216 1.00 0.00 C ATOM 1416 CG ASP A 89 13.793 13.174 2.749 1.00 0.00 C ATOM 1417 OD1 ASP A 89 14.663 13.742 3.453 1.00 0.00 O ATOM 1418 OD2 ASP A 89 12.853 12.531 3.256 1.00 0.00 O ATOM 0 H ASP A 89 14.729 11.963 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 89 16.057 13.063 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.900 14.291 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.033 12.774 0.773 1.00 0.00 H new ATOM 1423 N LEU A 90 15.687 10.841 2.313 1.00 0.00 N ATOM 1424 CA LEU A 90 15.910 9.484 2.843 1.00 0.00 C ATOM 1425 C LEU A 90 15.532 9.395 4.335 1.00 0.00 C ATOM 1426 O LEU A 90 15.775 8.361 4.975 1.00 0.00 O ATOM 1427 CB LEU A 90 17.401 9.043 2.614 1.00 0.00 C ATOM 1428 CG LEU A 90 18.525 9.765 3.458 1.00 0.00 C ATOM 1429 CD1 LEU A 90 19.907 9.102 3.255 1.00 0.00 C ATOM 1430 CD2 LEU A 90 18.611 11.288 3.169 1.00 0.00 C ATOM 0 H LEU A 90 15.896 11.579 2.985 1.00 0.00 H new ATOM 0 HA LEU A 90 15.260 8.799 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.468 7.974 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.633 9.185 1.558 1.00 0.00 H new ATOM 0 HG LEU A 90 18.233 9.648 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 90 20.653 9.627 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 90 19.860 8.059 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 90 20.184 9.152 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 90 19.400 11.730 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.835 11.446 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.659 11.759 3.413 1.00 0.00 H new ATOM 1442 N SER A 91 14.901 10.462 4.885 1.00 0.00 N ATOM 1443 CA SER A 91 14.612 10.541 6.327 1.00 0.00 C ATOM 1444 C SER A 91 13.425 9.616 6.691 1.00 0.00 C ATOM 1445 O SER A 91 13.628 8.587 7.353 1.00 0.00 O ATOM 1446 CB SER A 91 14.374 12.016 6.761 1.00 0.00 C ATOM 1447 OG SER A 91 13.301 12.614 6.056 1.00 0.00 O ATOM 0 H SER A 91 14.587 11.272 4.350 1.00 0.00 H new ATOM 0 HA SER A 91 15.479 10.185 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.167 12.049 7.831 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.283 12.593 6.594 1.00 0.00 H new ATOM 0 HG SER A 91 13.332 12.336 5.117 1.00 0.00 H new ATOM 1453 N GLN A 92 12.202 9.973 6.224 1.00 0.00 N ATOM 1454 CA GLN A 92 10.971 9.170 6.441 1.00 0.00 C ATOM 1455 C GLN A 92 9.752 9.807 5.746 1.00 0.00 C ATOM 1456 O GLN A 92 9.807 10.958 5.288 1.00 0.00 O ATOM 1457 CB GLN A 92 10.667 8.968 7.955 1.00 0.00 C ATOM 1458 CG GLN A 92 10.463 10.262 8.762 1.00 0.00 C ATOM 1459 CD GLN A 92 10.235 10.003 10.257 1.00 0.00 C ATOM 1460 OE1 GLN A 92 9.650 8.988 10.641 1.00 0.00 O ATOM 1461 NE2 GLN A 92 10.694 10.911 11.107 1.00 0.00 N ATOM 0 H GLN A 92 12.041 10.825 5.687 1.00 0.00 H new ATOM 0 HA GLN A 92 11.158 8.193 5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.771 8.355 8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.487 8.406 8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.336 10.903 8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.609 10.805 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.174 11.740 10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.567 10.780 12.111 1.00 0.00 H new ATOM 1470 N ILE A 93 8.655 9.027 5.670 1.00 0.00 N ATOM 1471 CA ILE A 93 7.355 9.505 5.176 1.00 0.00 C ATOM 1472 C ILE A 93 6.580 10.187 6.317 1.00 0.00 C ATOM 1473 O ILE A 93 6.057 9.527 7.216 1.00 0.00 O ATOM 1474 CB ILE A 93 6.495 8.335 4.528 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.348 7.093 5.472 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.101 7.910 3.181 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.467 5.969 4.931 1.00 0.00 C ATOM 0 H ILE A 93 8.649 8.046 5.951 1.00 0.00 H new ATOM 0 HA ILE A 93 7.544 10.233 4.387 1.00 0.00 H new ATOM 0 HB ILE A 93 5.493 8.732 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.341 6.690 5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.939 7.427 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.502 7.108 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.111 8.762 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.121 7.558 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.428 5.156 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.460 6.348 4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.883 5.600 3.994 1.00 0.00 H new ATOM 1489 N VAL A 94 6.564 11.528 6.322 1.00 0.00 N ATOM 1490 CA VAL A 94 5.776 12.309 7.281 1.00 0.00 C ATOM 1491 C VAL A 94 4.820 13.231 6.506 1.00 0.00 C ATOM 1492 O VAL A 94 5.232 13.980 5.620 1.00 0.00 O ATOM 1493 CB VAL A 94 6.698 13.112 8.277 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.688 14.043 7.528 1.00 0.00 C ATOM 1495 CG2 VAL A 94 5.852 13.884 9.328 1.00 0.00 C ATOM 0 H VAL A 94 7.095 12.098 5.664 1.00 0.00 H new ATOM 0 HA VAL A 94 5.188 11.631 7.900 1.00 0.00 H new ATOM 0 HB VAL A 94 7.305 12.386 8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.304 14.577 8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.328 13.446 6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.129 14.761 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.515 14.428 10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.194 14.588 8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.253 13.178 9.902 1.00 0.00 H new ATOM 1505 N TRP A 95 3.533 13.083 6.796 1.00 0.00 N ATOM 1506 CA TRP A 95 2.450 13.876 6.195 1.00 0.00 C ATOM 1507 C TRP A 95 1.407 14.198 7.280 1.00 0.00 C ATOM 1508 O TRP A 95 1.431 13.550 8.337 1.00 0.00 O ATOM 1509 CB TRP A 95 1.840 13.130 4.971 1.00 0.00 C ATOM 1510 CG TRP A 95 1.937 11.622 4.973 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.462 10.738 5.908 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.530 10.832 3.937 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.753 9.455 5.517 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.403 9.491 4.311 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.159 11.146 2.722 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.888 8.467 3.524 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.634 10.117 1.938 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.497 8.791 2.343 1.00 0.00 C ATOM 0 H TRP A 95 3.198 12.395 7.470 1.00 0.00 H new ATOM 0 HA TRP A 95 2.838 14.820 5.812 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.787 13.402 4.898 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.329 13.500 4.070 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.939 11.010 6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.522 8.610 6.040 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.268 12.173 2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.789 7.437 3.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.118 10.341 0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.880 8.003 1.711 1.00 0.00 H new ATOM 1529 N PRO A 96 0.471 15.195 7.065 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.537 15.568 8.094 1.00 0.00 C ATOM 1531 C PRO A 96 -1.465 14.396 8.448 1.00 0.00 C ATOM 1532 O PRO A 96 -1.619 13.458 7.669 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.336 16.727 7.427 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.126 16.519 5.960 1.00 0.00 C ATOM 1535 CD PRO A 96 0.295 16.021 5.832 1.00 0.00 C ATOM 0 HA PRO A 96 -0.071 15.854 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.393 16.684 7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.968 17.701 7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.835 15.795 5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.270 17.446 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.436 15.431 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.009 16.843 5.791 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.032 14.456 9.648 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.130 13.571 10.062 1.00 0.00 C ATOM 1545 C GLN A 97 -4.450 14.229 9.631 1.00 0.00 C ATOM 1546 O GLN A 97 -4.513 15.470 9.533 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.094 13.313 11.592 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.170 12.331 12.115 1.00 0.00 C ATOM 1549 CD GLN A 97 -3.998 11.952 13.589 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.477 12.734 14.391 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.416 10.742 13.948 1.00 0.00 N ATOM 0 H GLN A 97 -1.747 15.120 10.368 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.030 12.596 9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.110 12.925 11.857 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.211 14.266 12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.154 12.778 11.977 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.145 11.424 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.842 10.124 13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.311 10.432 14.914 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.472 13.401 9.341 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.800 13.880 8.913 1.00 0.00 C ATOM 1562 C LEU A 98 -7.374 14.949 9.887 1.00 0.00 C ATOM 1563 O LEU A 98 -7.168 14.855 11.101 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.806 12.697 8.661 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.834 11.479 9.641 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.095 11.870 11.111 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.860 10.421 9.161 1.00 0.00 C ATOM 0 H LEU A 98 -5.401 12.385 9.397 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.662 14.375 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.810 13.122 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.606 12.307 7.663 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.833 11.048 9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.100 10.973 11.731 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.309 12.543 11.453 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.060 12.370 11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.867 9.580 9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.853 10.868 9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.582 10.070 8.167 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.048 16.014 9.356 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.536 17.155 10.178 1.00 0.00 C ATOM 1581 C PRO A 99 -9.633 16.754 11.189 1.00 0.00 C ATOM 1582 O PRO A 99 -9.685 17.281 12.306 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.065 18.150 9.112 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.403 17.305 7.921 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.370 16.197 7.914 1.00 0.00 C ATOM 0 HA PRO A 99 -7.753 17.572 10.811 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.941 18.688 9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.312 18.898 8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.413 16.902 7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.362 17.887 7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.765 15.283 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.487 16.474 7.338 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.492 15.815 10.781 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.629 15.346 11.582 1.00 0.00 C ATOM 1595 C VAL A 100 -11.230 14.020 12.281 1.00 0.00 C ATOM 1596 O VAL A 100 -10.930 14.037 13.491 1.00 0.00 O ATOM 1597 CB VAL A 100 -12.902 15.166 10.669 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.124 14.646 11.473 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.232 16.492 9.917 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.171 12.978 11.598 1.00 0.00 O ATOM 0 H VAL A 100 -10.417 15.353 9.875 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.883 16.081 12.345 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.670 14.404 9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.979 14.536 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.883 13.680 11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.369 15.356 12.263 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.113 16.346 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.427 17.282 10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.386 16.775 9.290 1.00 0.00 H new TER 1610 VAL A 100