USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 664 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 3 GLN :FLIP amide:sc= 0.277 F(o=-0.42,f=0.47) USER MOD Set 1.2: A 66 GLN : amide:sc= 0.193 K(o=0.47,f=-2.6!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 167:sc= 0.794 (180deg=0) USER MOD Set 2.2: A 56 SER OG : rot 76:sc= 1.76 USER MOD Set 3.1: A 51 MET CE :methyl -119:sc= -4.62! (180deg=-6.66!) USER MOD Set 3.2: A 52 SER OG : rot -160:sc= -2.8! USER MOD Set 4.1: A 30 THR OG1 : rot -85:sc= -2.12! USER MOD Set 4.2: A 31 SER OG : rot 95:sc= -0.294 USER MOD Set 5.1: A 15 GLN : amide:sc= 0.913 X(o=-3.6,f=-3.9) USER MOD Set 5.2: A 57 THR OG1 : rot 160:sc= -4.46! USER MOD Set 6.1: A 11 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.04) USER MOD Set 6.2: A 12 THR OG1 : rot 59:sc= -0.215 USER MOD Set 7.1: A 4 GLN : amide:sc= 1.18 K(o=-1.6,f=-5.3) USER MOD Set 7.2: A 71 GLN : amide:sc= -2.81! C(o=-1.6!,f=-5.3!) USER MOD Single : A 5 LYS NZ :NH3+ -117:sc= -0.375 (180deg=-2.53!) USER MOD Single : A 24 GLN : amide:sc= -4.02! C(o=-4!,f=-4.4!) USER MOD Single : A 27 ASN : amide:sc= -6.05! C(o=-6!,f=-5.7!) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= -0.0956 (180deg=-0.746!) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0.57 (180deg=0.525) USER MOD Single : A 43 ASN : amide:sc= -7.08! C(o=-7.1!,f=-13!) USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -1.41! (180deg=-2.96!) USER MOD Single : A 46 SER OG : rot -118:sc= 0.0884 USER MOD Single : A 48 MET CE :methyl -112:sc= -10.1! (180deg=-13.8!) USER MOD Single : A 59 THR OG1 : rot 67:sc= 0.291 USER MOD Single : A 62 THR OG1 : rot -74:sc= -2.32! USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 1.41 (180deg=1.38) USER MOD Single : A 80 TYR OH : rot 2:sc= -2.76 USER MOD Single : A 82 GLN : amide:sc= -5.45! C(o=-5.4!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.136 6.397 -1.969 1.00 0.00 N ATOM 2 CA VAL A 2 -17.891 5.162 -1.880 1.00 0.00 C ATOM 3 C VAL A 2 -16.920 4.048 -1.508 1.00 0.00 C ATOM 4 O VAL A 2 -16.272 3.464 -2.373 1.00 0.00 O ATOM 5 CB VAL A 2 -18.626 4.902 -3.199 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.708 5.962 -3.381 1.00 0.00 C ATOM 7 CG2 VAL A 2 -17.683 4.944 -4.402 1.00 0.00 C ATOM 0 HA VAL A 2 -18.661 5.218 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.060 3.903 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.237 5.785 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.412 5.909 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.249 6.950 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.248 4.754 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.215 5.926 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.913 4.181 -4.287 1.00 0.00 H new ATOM 19 N GLN A 3 -16.762 3.779 -0.214 1.00 0.00 N ATOM 20 CA GLN A 3 -15.823 2.756 0.200 1.00 0.00 C ATOM 21 C GLN A 3 -16.248 1.964 1.418 1.00 0.00 C ATOM 22 O GLN A 3 -17.034 2.421 2.247 1.00 0.00 O ATOM 23 CB GLN A 3 -14.445 3.365 0.448 1.00 0.00 C ATOM 24 CG GLN A 3 -14.241 4.163 1.739 1.00 0.00 C ATOM 25 CD GLN A 3 -15.182 5.347 1.894 1.00 0.00 C ATOM 26 OE1 GLN A 3 -16.388 5.122 2.401 1.00 0.00 O flip ATOM 27 NE2 GLN A 3 -14.821 6.470 1.559 1.00 0.00 N flip ATOM 0 H GLN A 3 -17.261 4.245 0.544 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.791 2.049 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.714 2.557 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.212 4.020 -0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.372 3.495 2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.213 4.523 1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.888 6.612 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.454 7.263 1.667 1.00 0.00 H new ATOM 36 N GLN A 4 -15.626 0.800 1.528 1.00 0.00 N ATOM 37 CA GLN A 4 -15.723 -0.121 2.633 1.00 0.00 C ATOM 38 C GLN A 4 -14.340 -0.760 2.724 1.00 0.00 C ATOM 39 O GLN A 4 -13.542 -0.633 1.789 1.00 0.00 O ATOM 40 CB GLN A 4 -16.804 -1.164 2.329 1.00 0.00 C ATOM 41 CG GLN A 4 -16.915 -2.230 3.419 1.00 0.00 C ATOM 42 CD GLN A 4 -17.653 -3.450 2.895 1.00 0.00 C ATOM 43 OE1 GLN A 4 -17.114 -4.553 2.898 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.873 -3.263 2.407 1.00 0.00 N ATOM 0 H GLN A 4 -15.002 0.459 0.797 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.001 0.357 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.766 -0.663 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.582 -1.645 1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.920 -2.517 3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.441 -1.823 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.291 -2.333 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.393 -4.050 2.018 1.00 0.00 H new ATOM 53 N LYS A 5 -14.057 -1.448 3.825 1.00 0.00 N ATOM 54 CA LYS A 5 -12.812 -2.151 4.003 1.00 0.00 C ATOM 55 C LYS A 5 -13.031 -3.398 4.837 1.00 0.00 C ATOM 56 O LYS A 5 -13.925 -3.446 5.682 1.00 0.00 O ATOM 57 CB LYS A 5 -11.794 -1.248 4.693 1.00 0.00 C ATOM 58 CG LYS A 5 -12.390 -0.393 5.813 1.00 0.00 C ATOM 59 CD LYS A 5 -12.820 -1.245 7.004 1.00 0.00 C ATOM 60 CE LYS A 5 -13.280 -0.333 8.141 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.168 0.492 8.647 1.00 0.00 N ATOM 0 H LYS A 5 -14.694 -1.528 4.617 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.431 -2.438 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.995 -1.864 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.340 -0.592 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.656 0.344 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.249 0.160 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.628 -1.916 6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.991 -1.869 7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.085 0.313 7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.687 -0.936 8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.982 0.252 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.315 0.309 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.422 1.498 8.576 1.00 0.00 H new ATOM 75 N VAL A 6 -12.203 -4.401 4.586 1.00 0.00 N ATOM 76 CA VAL A 6 -12.194 -5.614 5.372 1.00 0.00 C ATOM 77 C VAL A 6 -10.868 -5.593 6.115 1.00 0.00 C ATOM 78 O VAL A 6 -9.827 -5.351 5.507 1.00 0.00 O ATOM 79 CB VAL A 6 -12.311 -6.832 4.456 1.00 0.00 C ATOM 80 CG1 VAL A 6 -12.364 -8.118 5.278 1.00 0.00 C ATOM 81 CG2 VAL A 6 -13.576 -6.730 3.606 1.00 0.00 C ATOM 0 H VAL A 6 -11.519 -4.391 3.829 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.032 -5.674 6.066 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.435 -6.856 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.447 -8.974 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.454 -8.208 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.229 -8.090 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.650 -7.603 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.449 -6.687 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.533 -5.827 2.997 1.00 0.00 H new ATOM 91 N GLU A 7 -10.857 -5.759 7.433 1.00 0.00 N ATOM 92 CA GLU A 7 -9.553 -5.735 8.060 1.00 0.00 C ATOM 93 C GLU A 7 -8.872 -7.086 7.954 1.00 0.00 C ATOM 94 O GLU A 7 -9.512 -8.135 7.856 1.00 0.00 O ATOM 95 CB GLU A 7 -9.604 -5.192 9.483 1.00 0.00 C ATOM 96 CG GLU A 7 -8.188 -4.900 9.978 1.00 0.00 C ATOM 97 CD GLU A 7 -8.202 -3.921 11.138 1.00 0.00 C ATOM 98 OE1 GLU A 7 -8.329 -2.712 10.844 1.00 0.00 O ATOM 99 OE2 GLU A 7 -8.100 -4.400 12.286 1.00 0.00 O ATOM 0 H GLU A 7 -11.664 -5.900 8.040 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.931 -5.029 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.204 -4.283 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.087 -5.915 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.710 -5.829 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.592 -4.492 9.162 1.00 0.00 H new ATOM 106 N VAL A 8 -7.548 -7.025 7.942 1.00 0.00 N ATOM 107 CA VAL A 8 -6.719 -8.184 7.717 1.00 0.00 C ATOM 108 C VAL A 8 -5.441 -8.094 8.534 1.00 0.00 C ATOM 109 O VAL A 8 -4.854 -7.019 8.635 1.00 0.00 O ATOM 110 CB VAL A 8 -6.356 -8.255 6.215 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.074 -7.192 5.381 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.852 -8.099 5.960 1.00 0.00 C ATOM 0 H VAL A 8 -7.023 -6.163 8.089 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.267 -9.076 8.020 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.683 -9.249 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.781 -7.290 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.152 -7.327 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.802 -6.201 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.657 -8.157 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.517 -7.133 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.312 -8.896 6.471 1.00 0.00 H new ATOM 122 N ARG A 9 -4.968 -9.203 9.098 1.00 0.00 N ATOM 123 CA ARG A 9 -3.586 -9.151 9.530 1.00 0.00 C ATOM 124 C ARG A 9 -2.795 -9.306 8.242 1.00 0.00 C ATOM 125 O ARG A 9 -2.890 -10.327 7.562 1.00 0.00 O ATOM 126 CB ARG A 9 -3.198 -10.230 10.530 1.00 0.00 C ATOM 127 CG ARG A 9 -1.676 -10.310 10.617 1.00 0.00 C ATOM 128 CD ARG A 9 -1.268 -11.781 10.556 1.00 0.00 C ATOM 129 NE ARG A 9 -1.772 -12.431 9.335 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.612 -13.738 9.087 1.00 0.00 C ATOM 131 NH1 ARG A 9 -0.890 -14.484 9.930 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.164 -14.310 8.009 1.00 0.00 N ATOM 0 H ARG A 9 -5.473 -10.075 9.255 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.391 -8.222 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.619 -10.003 11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.608 -11.192 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.219 -9.755 9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.324 -9.857 11.544 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.181 -11.860 10.589 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.652 -12.303 11.432 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.265 -11.861 8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.466 -14.057 10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.763 -15.480 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.717 -13.749 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.032 -15.306 7.836 1.00 0.00 H new ATOM 146 N LEU A 10 -2.068 -8.247 7.915 1.00 0.00 N ATOM 147 CA LEU A 10 -1.229 -8.054 6.756 1.00 0.00 C ATOM 148 C LEU A 10 -0.201 -9.176 6.616 1.00 0.00 C ATOM 149 O LEU A 10 0.986 -8.948 6.815 1.00 0.00 O ATOM 150 CB LEU A 10 -0.578 -6.695 7.006 1.00 0.00 C ATOM 151 CG LEU A 10 0.251 -6.131 5.865 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.515 -6.186 4.548 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.527 -4.684 6.259 1.00 0.00 C ATOM 0 H LEU A 10 -2.055 -7.425 8.519 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.784 -8.077 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.363 -5.978 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.060 -6.777 7.886 1.00 0.00 H new ATOM 0 HG LEU A 10 1.166 -6.703 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.104 -5.776 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.767 -7.221 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.430 -5.601 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.124 -4.203 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.417 -4.151 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.072 -4.661 7.203 1.00 0.00 H new ATOM 165 N LYS A 11 -0.618 -10.374 6.217 1.00 0.00 N ATOM 166 CA LYS A 11 0.278 -11.514 6.124 1.00 0.00 C ATOM 167 C LYS A 11 1.222 -11.294 4.960 1.00 0.00 C ATOM 168 O LYS A 11 2.409 -11.580 5.072 1.00 0.00 O ATOM 169 CB LYS A 11 -0.549 -12.794 5.961 1.00 0.00 C ATOM 170 CG LYS A 11 0.193 -13.911 5.222 1.00 0.00 C ATOM 171 CD LYS A 11 0.080 -13.685 3.712 1.00 0.00 C ATOM 172 CE LYS A 11 -1.384 -13.395 3.404 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.621 -13.250 1.965 1.00 0.00 N ATOM 0 H LYS A 11 -1.581 -10.578 5.951 1.00 0.00 H new ATOM 0 HA LYS A 11 0.874 -11.620 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.844 -13.155 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.466 -12.558 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.241 -13.926 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.228 -14.880 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.710 -12.852 3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.420 -14.565 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.004 -14.202 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.689 -12.482 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.644 -13.189 1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.157 -12.384 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.230 -14.074 1.464 1.00 0.00 H new ATOM 187 N THR A 12 0.691 -10.763 3.858 1.00 0.00 N ATOM 188 CA THR A 12 1.499 -10.421 2.703 1.00 0.00 C ATOM 189 C THR A 12 2.632 -9.495 3.156 1.00 0.00 C ATOM 190 O THR A 12 3.786 -9.652 2.764 1.00 0.00 O ATOM 191 CB THR A 12 0.646 -9.686 1.661 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.586 -10.340 1.427 1.00 0.00 O ATOM 193 CG2 THR A 12 1.397 -9.617 0.340 1.00 0.00 C ATOM 0 H THR A 12 -0.303 -10.562 3.748 1.00 0.00 H new ATOM 0 HA THR A 12 1.900 -11.332 2.259 1.00 0.00 H new ATOM 0 HB THR A 12 0.447 -8.689 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.090 -10.398 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.788 -9.094 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.335 -9.080 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.607 -10.627 -0.012 1.00 0.00 H new ATOM 201 N GLY A 13 2.273 -8.505 3.986 1.00 0.00 N ATOM 202 CA GLY A 13 3.173 -7.456 4.442 1.00 0.00 C ATOM 203 C GLY A 13 3.857 -6.780 3.264 1.00 0.00 C ATOM 204 O GLY A 13 4.999 -6.353 3.372 1.00 0.00 O ATOM 0 H GLY A 13 1.329 -8.417 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.615 -6.717 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.923 -7.879 5.110 1.00 0.00 H new ATOM 208 N LEU A 14 3.157 -6.767 2.125 1.00 0.00 N ATOM 209 CA LEU A 14 3.497 -6.067 0.899 1.00 0.00 C ATOM 210 C LEU A 14 4.991 -6.123 0.635 1.00 0.00 C ATOM 211 O LEU A 14 5.674 -5.101 0.653 1.00 0.00 O ATOM 212 CB LEU A 14 2.967 -4.652 0.962 1.00 0.00 C ATOM 213 CG LEU A 14 1.466 -4.577 0.650 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.165 -4.960 -0.791 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.633 -5.489 1.547 1.00 0.00 C ATOM 0 H LEU A 14 2.281 -7.282 2.038 1.00 0.00 H new ATOM 0 HA LEU A 14 3.022 -6.563 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.150 -4.242 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.514 -4.030 0.254 1.00 0.00 H new ATOM 0 HG LEU A 14 1.195 -3.537 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.092 -4.893 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.687 -4.281 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.500 -5.981 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.420 -5.396 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.951 -6.523 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.772 -5.201 2.589 1.00 0.00 H new ATOM 227 N GLN A 15 5.494 -7.325 0.399 1.00 0.00 N ATOM 228 CA GLN A 15 6.933 -7.478 0.347 1.00 0.00 C ATOM 229 C GLN A 15 7.504 -7.381 -1.060 1.00 0.00 C ATOM 230 O GLN A 15 8.251 -6.450 -1.347 1.00 0.00 O ATOM 231 CB GLN A 15 7.334 -8.737 1.110 1.00 0.00 C ATOM 232 CG GLN A 15 6.728 -8.608 2.513 1.00 0.00 C ATOM 233 CD GLN A 15 7.118 -9.744 3.443 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.291 -10.074 3.583 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.135 -10.366 4.085 1.00 0.00 N ATOM 0 H GLN A 15 4.951 -8.175 0.247 1.00 0.00 H new ATOM 0 HA GLN A 15 7.394 -6.628 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.962 -9.630 0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.419 -8.829 1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.045 -7.663 2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.642 -8.572 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.169 -10.069 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.347 -11.140 4.714 1.00 0.00 H new ATOM 244 N ALA A 16 7.188 -8.321 -1.947 1.00 0.00 N ATOM 245 CA ALA A 16 7.767 -8.280 -3.280 1.00 0.00 C ATOM 246 C ALA A 16 6.905 -8.914 -4.367 1.00 0.00 C ATOM 247 O ALA A 16 7.122 -8.632 -5.543 1.00 0.00 O ATOM 248 CB ALA A 16 9.129 -8.968 -3.250 1.00 0.00 C ATOM 0 H ALA A 16 6.552 -9.099 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 16 7.851 -7.226 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.572 -8.942 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.783 -8.450 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.006 -10.004 -2.934 1.00 0.00 H new ATOM 254 N ARG A 17 5.943 -9.771 -4.025 1.00 0.00 N ATOM 255 CA ARG A 17 5.200 -10.445 -5.078 1.00 0.00 C ATOM 256 C ARG A 17 3.698 -10.307 -4.890 1.00 0.00 C ATOM 257 O ARG A 17 3.065 -9.508 -5.583 1.00 0.00 O ATOM 258 CB ARG A 17 5.610 -11.916 -5.210 1.00 0.00 C ATOM 259 CG ARG A 17 7.089 -12.151 -4.906 1.00 0.00 C ATOM 260 CD ARG A 17 7.267 -12.323 -3.397 1.00 0.00 C ATOM 261 NE ARG A 17 8.681 -12.470 -3.050 1.00 0.00 N ATOM 262 CZ ARG A 17 9.222 -11.965 -1.934 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.479 -11.238 -1.095 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.512 -12.188 -1.665 1.00 0.00 N ATOM 0 H ARG A 17 5.671 -10.005 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 17 5.458 -9.947 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.005 -12.519 -4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.393 -12.259 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.445 -13.038 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.685 -11.310 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.849 -11.461 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.713 -13.199 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 17 9.286 -12.984 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.495 -11.066 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.895 -10.855 -0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.079 -12.740 -2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.929 -11.806 -0.816 1.00 0.00 H new ATOM 278 N PRO A 18 3.111 -11.075 -3.961 1.00 0.00 N ATOM 279 CA PRO A 18 1.694 -11.032 -3.672 1.00 0.00 C ATOM 280 C PRO A 18 1.279 -9.616 -3.328 1.00 0.00 C ATOM 281 O PRO A 18 0.215 -9.190 -3.757 1.00 0.00 O ATOM 282 CB PRO A 18 1.462 -11.966 -2.495 1.00 0.00 C ATOM 283 CG PRO A 18 2.793 -11.825 -1.780 1.00 0.00 C ATOM 284 CD PRO A 18 3.780 -11.851 -2.942 1.00 0.00 C ATOM 0 HA PRO A 18 1.101 -11.344 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.621 -11.655 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.264 -12.991 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.855 -10.897 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.968 -12.640 -1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.739 -11.412 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.980 -12.869 -3.277 1.00 0.00 H new ATOM 292 N ALA A 19 2.111 -8.884 -2.590 1.00 0.00 N ATOM 293 CA ALA A 19 1.865 -7.496 -2.286 1.00 0.00 C ATOM 294 C ALA A 19 1.635 -6.672 -3.542 1.00 0.00 C ATOM 295 O ALA A 19 0.666 -5.919 -3.627 1.00 0.00 O ATOM 296 CB ALA A 19 3.135 -6.976 -1.669 1.00 0.00 C ATOM 0 H ALA A 19 2.975 -9.248 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 19 0.985 -7.420 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.012 -5.923 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.359 -7.543 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.955 -7.084 -2.379 1.00 0.00 H new ATOM 302 N ALA A 20 2.542 -6.818 -4.510 1.00 0.00 N ATOM 303 CA ALA A 20 2.463 -6.105 -5.771 1.00 0.00 C ATOM 304 C ALA A 20 1.171 -6.504 -6.464 1.00 0.00 C ATOM 305 O ALA A 20 0.425 -5.658 -6.953 1.00 0.00 O ATOM 306 CB ALA A 20 3.677 -6.455 -6.627 1.00 0.00 C ATOM 0 H ALA A 20 3.350 -7.436 -4.434 1.00 0.00 H new ATOM 0 HA ALA A 20 2.463 -5.027 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.620 -5.920 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.588 -6.167 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.692 -7.528 -6.816 1.00 0.00 H new ATOM 312 N LEU A 21 0.897 -7.809 -6.455 1.00 0.00 N ATOM 313 CA LEU A 21 -0.327 -8.356 -7.010 1.00 0.00 C ATOM 314 C LEU A 21 -1.542 -7.736 -6.315 1.00 0.00 C ATOM 315 O LEU A 21 -2.519 -7.418 -6.988 1.00 0.00 O ATOM 316 CB LEU A 21 -0.292 -9.881 -6.892 1.00 0.00 C ATOM 317 CG LEU A 21 -1.441 -10.548 -7.651 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.117 -12.029 -7.815 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.753 -10.432 -6.881 1.00 0.00 C ATOM 0 H LEU A 21 1.523 -8.512 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.411 -8.107 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.658 -10.251 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.342 -10.163 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.553 -10.052 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.926 -12.521 -8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.188 -12.138 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.004 -12.488 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.550 -10.915 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.650 -10.918 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.998 -9.380 -6.736 1.00 0.00 H new ATOM 331 N PHE A 22 -1.458 -7.543 -4.994 1.00 0.00 N ATOM 332 CA PHE A 22 -2.459 -6.953 -4.123 1.00 0.00 C ATOM 333 C PHE A 22 -2.735 -5.548 -4.613 1.00 0.00 C ATOM 334 O PHE A 22 -3.879 -5.246 -4.948 1.00 0.00 O ATOM 335 CB PHE A 22 -1.910 -6.953 -2.687 1.00 0.00 C ATOM 336 CG PHE A 22 -2.611 -6.099 -1.640 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.767 -5.353 -1.942 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.964 -5.894 -0.409 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.208 -4.343 -1.071 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.437 -4.921 0.490 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.545 -4.128 0.149 1.00 0.00 C ATOM 0 H PHE A 22 -0.624 -7.818 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.392 -7.517 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.914 -7.983 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.868 -6.635 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.317 -5.559 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.099 -6.487 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.057 -3.732 -1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.948 -4.784 1.443 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.886 -3.356 0.822 1.00 0.00 H new ATOM 351 N VAL A 23 -1.702 -4.702 -4.620 1.00 0.00 N ATOM 352 CA VAL A 23 -1.809 -3.343 -5.121 1.00 0.00 C ATOM 353 C VAL A 23 -2.479 -3.375 -6.489 1.00 0.00 C ATOM 354 O VAL A 23 -3.389 -2.598 -6.756 1.00 0.00 O ATOM 355 CB VAL A 23 -0.409 -2.735 -5.200 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.323 -1.624 -6.242 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.050 -2.149 -3.842 1.00 0.00 C ATOM 0 H VAL A 23 -0.773 -4.946 -4.278 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.414 -2.728 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 23 0.282 -3.527 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.690 -1.222 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.574 -2.026 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.024 -0.829 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.948 -1.712 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.773 -1.377 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.068 -2.937 -3.089 1.00 0.00 H new ATOM 367 N GLN A 24 -2.021 -4.274 -7.356 1.00 0.00 N ATOM 368 CA GLN A 24 -2.560 -4.468 -8.678 1.00 0.00 C ATOM 369 C GLN A 24 -4.050 -4.829 -8.649 1.00 0.00 C ATOM 370 O GLN A 24 -4.801 -4.281 -9.440 1.00 0.00 O ATOM 371 CB GLN A 24 -1.677 -5.516 -9.349 1.00 0.00 C ATOM 372 CG GLN A 24 -2.140 -5.850 -10.762 1.00 0.00 C ATOM 373 CD GLN A 24 -3.185 -6.958 -10.792 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.933 -7.076 -11.756 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.256 -7.776 -9.745 1.00 0.00 N ATOM 0 H GLN A 24 -1.244 -4.899 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.538 -3.546 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.650 -5.153 -9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.675 -6.424 -8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.553 -4.954 -11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.280 -6.151 -11.360 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.620 -7.653 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.947 -8.526 -9.730 1.00 0.00 H new ATOM 384 N GLU A 25 -4.498 -5.715 -7.760 1.00 0.00 N ATOM 385 CA GLU A 25 -5.887 -6.144 -7.673 1.00 0.00 C ATOM 386 C GLU A 25 -6.768 -5.031 -7.147 1.00 0.00 C ATOM 387 O GLU A 25 -7.787 -4.716 -7.751 1.00 0.00 O ATOM 388 CB GLU A 25 -5.999 -7.331 -6.717 1.00 0.00 C ATOM 389 CG GLU A 25 -5.168 -8.518 -7.182 1.00 0.00 C ATOM 390 CD GLU A 25 -5.865 -9.289 -8.292 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.099 -9.448 -8.183 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.150 -9.704 -9.228 1.00 0.00 O ATOM 0 H GLU A 25 -3.893 -6.160 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.214 -6.422 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.673 -7.027 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.044 -7.631 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.198 -8.168 -7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.979 -9.183 -6.339 1.00 0.00 H new ATOM 399 N ALA A 26 -6.381 -4.460 -6.008 1.00 0.00 N ATOM 400 CA ALA A 26 -7.074 -3.322 -5.420 1.00 0.00 C ATOM 401 C ALA A 26 -7.187 -2.223 -6.473 1.00 0.00 C ATOM 402 O ALA A 26 -8.223 -1.579 -6.635 1.00 0.00 O ATOM 403 CB ALA A 26 -6.263 -2.822 -4.235 1.00 0.00 C ATOM 0 H ALA A 26 -5.576 -4.776 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.071 -3.607 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.768 -1.969 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.166 -3.619 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.272 -2.519 -4.574 1.00 0.00 H new ATOM 409 N ASN A 27 -6.083 -2.035 -7.195 1.00 0.00 N ATOM 410 CA ASN A 27 -5.961 -1.135 -8.319 1.00 0.00 C ATOM 411 C ASN A 27 -6.934 -1.495 -9.416 1.00 0.00 C ATOM 412 O ASN A 27 -7.595 -0.635 -9.991 1.00 0.00 O ATOM 413 CB ASN A 27 -4.599 -1.374 -8.943 1.00 0.00 C ATOM 414 CG ASN A 27 -3.705 -0.153 -8.834 1.00 0.00 C ATOM 415 OD1 ASN A 27 -4.046 0.930 -9.296 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.558 -0.332 -8.196 1.00 0.00 N ATOM 0 H ASN A 27 -5.215 -2.533 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.129 -0.120 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.119 -2.221 -8.453 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.722 -1.641 -9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.916 0.451 -8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.317 -1.252 -7.828 1.00 0.00 H new ATOM 423 N ARG A 28 -6.994 -2.795 -9.689 1.00 0.00 N ATOM 424 CA ARG A 28 -7.667 -3.432 -10.802 1.00 0.00 C ATOM 425 C ARG A 28 -9.191 -3.319 -10.834 1.00 0.00 C ATOM 426 O ARG A 28 -9.860 -4.129 -11.474 1.00 0.00 O ATOM 427 CB ARG A 28 -7.175 -4.874 -10.863 1.00 0.00 C ATOM 428 CG ARG A 28 -6.267 -5.050 -12.082 1.00 0.00 C ATOM 429 CD ARG A 28 -7.059 -5.150 -13.390 1.00 0.00 C ATOM 430 NE ARG A 28 -7.956 -4.005 -13.576 1.00 0.00 N ATOM 431 CZ ARG A 28 -7.567 -2.773 -13.923 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.298 -2.544 -14.274 1.00 0.00 N ATOM 433 NH2 ARG A 28 -8.454 -1.772 -13.891 1.00 0.00 N ATOM 0 H ARG A 28 -6.535 -3.478 -9.087 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.400 -2.881 -11.704 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.631 -5.123 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.022 -5.557 -10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.576 -4.209 -12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.664 -5.949 -11.956 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.367 -5.209 -14.230 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.641 -6.071 -13.392 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.953 -4.160 -13.430 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.624 -3.309 -14.278 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.004 -1.604 -14.538 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.416 -1.952 -13.604 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.168 -0.829 -14.154 1.00 0.00 H new ATOM 447 N PHE A 29 -9.748 -2.291 -10.204 1.00 0.00 N ATOM 448 CA PHE A 29 -11.155 -2.015 -10.286 1.00 0.00 C ATOM 449 C PHE A 29 -11.318 -0.562 -10.706 1.00 0.00 C ATOM 450 O PHE A 29 -11.315 -0.264 -11.897 1.00 0.00 O ATOM 451 CB PHE A 29 -11.807 -2.345 -8.948 1.00 0.00 C ATOM 452 CG PHE A 29 -11.970 -3.829 -8.730 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.420 -4.642 -9.785 1.00 0.00 C ATOM 454 CD2 PHE A 29 -11.642 -4.401 -7.492 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.552 -6.027 -9.599 1.00 0.00 C ATOM 456 CE2 PHE A 29 -11.826 -5.778 -7.290 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.260 -6.595 -8.349 1.00 0.00 C ATOM 0 H PHE A 29 -9.227 -1.633 -9.625 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.658 -2.633 -11.030 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.204 -1.928 -8.142 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.784 -1.865 -8.896 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.664 -4.200 -10.740 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.249 -3.784 -6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.877 -6.654 -10.416 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.634 -6.211 -6.319 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.369 -7.659 -8.201 1.00 0.00 H new ATOM 467 N THR A 30 -11.442 0.334 -9.729 1.00 0.00 N ATOM 468 CA THR A 30 -11.621 1.765 -9.944 1.00 0.00 C ATOM 469 C THR A 30 -11.252 2.491 -8.652 1.00 0.00 C ATOM 470 O THR A 30 -10.405 3.379 -8.622 1.00 0.00 O ATOM 471 CB THR A 30 -13.088 2.040 -10.299 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.937 1.301 -9.436 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.385 1.651 -11.745 1.00 0.00 C ATOM 0 H THR A 30 -11.420 0.077 -8.742 1.00 0.00 H new ATOM 0 HA THR A 30 -10.988 2.115 -10.759 1.00 0.00 H new ATOM 0 HB THR A 30 -13.270 3.108 -10.179 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.057 0.396 -9.792 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.432 1.857 -11.969 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.750 2.230 -12.415 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.186 0.588 -11.884 1.00 0.00 H new ATOM 481 N SER A 31 -11.934 2.062 -7.593 1.00 0.00 N ATOM 482 CA SER A 31 -11.865 2.465 -6.206 1.00 0.00 C ATOM 483 C SER A 31 -10.523 2.983 -5.713 1.00 0.00 C ATOM 484 O SER A 31 -9.487 2.348 -5.903 1.00 0.00 O ATOM 485 CB SER A 31 -12.217 1.220 -5.398 1.00 0.00 C ATOM 486 OG SER A 31 -13.204 0.461 -6.079 1.00 0.00 O ATOM 0 H SER A 31 -12.635 1.331 -7.712 1.00 0.00 H new ATOM 0 HA SER A 31 -12.542 3.311 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.325 0.614 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.584 1.508 -4.413 1.00 0.00 H new ATOM 0 HG SER A 31 -12.770 -0.236 -6.613 1.00 0.00 H new ATOM 492 N ASP A 32 -10.565 4.091 -4.976 1.00 0.00 N ATOM 493 CA ASP A 32 -9.395 4.596 -4.293 1.00 0.00 C ATOM 494 C ASP A 32 -9.265 3.717 -3.065 1.00 0.00 C ATOM 495 O ASP A 32 -9.843 3.991 -2.019 1.00 0.00 O ATOM 496 CB ASP A 32 -9.616 6.049 -3.911 1.00 0.00 C ATOM 497 CG ASP A 32 -8.414 6.633 -3.179 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.330 6.016 -3.244 1.00 0.00 O ATOM 499 OD2 ASP A 32 -8.612 7.706 -2.568 1.00 0.00 O ATOM 0 H ASP A 32 -11.406 4.653 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.493 4.567 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.814 6.634 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.500 6.128 -3.278 1.00 0.00 H new ATOM 504 N VAL A 33 -8.629 2.577 -3.256 1.00 0.00 N ATOM 505 CA VAL A 33 -8.524 1.568 -2.224 1.00 0.00 C ATOM 506 C VAL A 33 -7.531 1.980 -1.147 1.00 0.00 C ATOM 507 O VAL A 33 -6.679 2.845 -1.356 1.00 0.00 O ATOM 508 CB VAL A 33 -8.176 0.236 -2.873 1.00 0.00 C ATOM 509 CG1 VAL A 33 -9.137 0.020 -4.046 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.728 0.314 -3.339 1.00 0.00 C ATOM 0 H VAL A 33 -8.171 2.326 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.481 1.458 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.277 -0.603 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.911 -0.929 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.163 0.004 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.022 0.831 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.446 -0.628 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.620 1.126 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.080 0.500 -2.483 1.00 0.00 H new ATOM 520 N PHE A 34 -7.611 1.329 0.006 1.00 0.00 N ATOM 521 CA PHE A 34 -6.771 1.683 1.129 1.00 0.00 C ATOM 522 C PHE A 34 -6.405 0.484 1.986 1.00 0.00 C ATOM 523 O PHE A 34 -6.938 -0.609 1.819 1.00 0.00 O ATOM 524 CB PHE A 34 -7.500 2.685 2.023 1.00 0.00 C ATOM 525 CG PHE A 34 -7.998 3.934 1.341 1.00 0.00 C ATOM 526 CD1 PHE A 34 -7.081 4.868 0.827 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.378 4.175 1.251 1.00 0.00 C ATOM 528 CE1 PHE A 34 -7.546 6.059 0.248 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.843 5.359 0.656 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.926 6.314 0.187 1.00 0.00 C ATOM 0 H PHE A 34 -8.251 0.554 0.182 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.857 2.106 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.350 2.181 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.829 2.978 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.021 4.669 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.080 3.452 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.845 6.778 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.904 5.535 0.559 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.283 7.248 -0.222 1.00 0.00 H new ATOM 540 N LEU A 35 -5.505 0.718 2.934 1.00 0.00 N ATOM 541 CA LEU A 35 -5.084 -0.274 3.899 1.00 0.00 C ATOM 542 C LEU A 35 -4.744 0.505 5.158 1.00 0.00 C ATOM 543 O LEU A 35 -3.868 1.364 5.115 1.00 0.00 O ATOM 544 CB LEU A 35 -3.904 -1.069 3.350 1.00 0.00 C ATOM 545 CG LEU A 35 -3.689 -2.319 4.196 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.951 -3.180 4.158 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.515 -3.112 3.629 1.00 0.00 C ATOM 0 H LEU A 35 -5.043 1.620 3.050 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.855 -1.013 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.092 -1.348 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.004 -0.454 3.357 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.475 -2.034 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.800 -4.074 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.792 -2.611 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.163 -3.469 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.356 -4.007 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.733 -3.399 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.616 -2.496 3.651 1.00 0.00 H new ATOM 559 N GLU A 36 -5.498 0.262 6.228 1.00 0.00 N ATOM 560 CA GLU A 36 -5.464 1.011 7.471 1.00 0.00 C ATOM 561 C GLU A 36 -4.838 0.169 8.581 1.00 0.00 C ATOM 562 O GLU A 36 -5.572 -0.556 9.249 1.00 0.00 O ATOM 563 CB GLU A 36 -6.914 1.308 7.861 1.00 0.00 C ATOM 564 CG GLU A 36 -7.769 1.674 6.656 1.00 0.00 C ATOM 565 CD GLU A 36 -9.223 1.825 7.063 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.514 2.821 7.759 1.00 0.00 O ATOM 567 OE2 GLU A 36 -10.021 0.951 6.664 1.00 0.00 O ATOM 0 H GLU A 36 -6.178 -0.498 6.248 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.879 1.921 7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.341 0.436 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.935 2.126 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.410 2.605 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.678 0.904 5.890 1.00 0.00 H new ATOM 574 N LYS A 37 -3.528 0.256 8.817 1.00 0.00 N ATOM 575 CA LYS A 37 -2.817 -0.475 9.849 1.00 0.00 C ATOM 576 C LYS A 37 -3.381 -0.145 11.221 1.00 0.00 C ATOM 577 O LYS A 37 -2.931 0.808 11.858 1.00 0.00 O ATOM 578 CB LYS A 37 -1.370 -0.029 9.765 1.00 0.00 C ATOM 579 CG LYS A 37 -0.648 -0.660 8.577 1.00 0.00 C ATOM 580 CD LYS A 37 0.757 -0.069 8.495 1.00 0.00 C ATOM 581 CE LYS A 37 1.428 -0.196 9.862 1.00 0.00 C ATOM 582 NZ LYS A 37 2.775 0.397 9.848 1.00 0.00 N ATOM 0 H LYS A 37 -2.917 0.862 8.270 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.916 -1.551 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.329 1.057 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.854 -0.296 10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.597 -1.742 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.195 -0.466 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.342 -0.591 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.709 0.978 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.817 0.298 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.493 -1.247 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.120 0.498 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.420 -0.220 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.738 1.333 9.396 1.00 0.00 H new ATOM 596 N ASP A 38 -4.396 -0.893 11.656 1.00 0.00 N ATOM 597 CA ASP A 38 -5.150 -0.598 12.863 1.00 0.00 C ATOM 598 C ASP A 38 -5.601 0.862 12.805 1.00 0.00 C ATOM 599 O ASP A 38 -5.642 1.550 13.823 1.00 0.00 O ATOM 600 CB ASP A 38 -4.286 -0.869 14.091 1.00 0.00 C ATOM 601 CG ASP A 38 -3.885 -2.337 14.177 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.686 -3.110 14.744 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.788 -2.664 13.668 1.00 0.00 O ATOM 0 H ASP A 38 -4.717 -1.730 11.170 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.030 -1.237 12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.391 -0.248 14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.832 -0.586 14.991 1.00 0.00 H new ATOM 608 N GLY A 39 -5.891 1.359 11.597 1.00 0.00 N ATOM 609 CA GLY A 39 -6.231 2.758 11.439 1.00 0.00 C ATOM 610 C GLY A 39 -5.231 3.507 10.552 1.00 0.00 C ATOM 611 O GLY A 39 -5.596 4.504 9.935 1.00 0.00 O ATOM 0 H GLY A 39 -5.895 0.815 10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.228 2.840 11.006 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.269 3.233 12.420 1.00 0.00 H new ATOM 615 N LYS A 40 -3.974 3.053 10.466 1.00 0.00 N ATOM 616 CA LYS A 40 -2.949 3.716 9.674 1.00 0.00 C ATOM 617 C LYS A 40 -3.198 3.409 8.201 1.00 0.00 C ATOM 618 O LYS A 40 -2.520 2.566 7.617 1.00 0.00 O ATOM 619 CB LYS A 40 -1.555 3.217 10.066 1.00 0.00 C ATOM 620 CG LYS A 40 -1.268 3.077 11.565 1.00 0.00 C ATOM 621 CD LYS A 40 -1.516 4.357 12.365 1.00 0.00 C ATOM 622 CE LYS A 40 -2.963 4.394 12.851 1.00 0.00 C ATOM 623 NZ LYS A 40 -3.278 3.209 13.669 1.00 0.00 N ATOM 0 H LYS A 40 -3.646 2.215 10.946 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.995 4.790 9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.398 2.245 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.818 3.899 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.890 2.280 11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.230 2.771 11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.836 4.402 13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.309 5.229 11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.131 5.298 13.436 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.636 4.438 11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.115 3.404 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.472 2.399 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.469 2.987 14.284 1.00 0.00 H new ATOM 637 N LYS A 41 -4.215 4.037 7.623 1.00 0.00 N ATOM 638 CA LYS A 41 -4.634 3.766 6.264 1.00 0.00 C ATOM 639 C LYS A 41 -3.889 4.593 5.222 1.00 0.00 C ATOM 640 O LYS A 41 -3.618 5.778 5.404 1.00 0.00 O ATOM 641 CB LYS A 41 -6.139 3.993 6.199 1.00 0.00 C ATOM 642 CG LYS A 41 -6.788 3.785 4.826 1.00 0.00 C ATOM 643 CD LYS A 41 -6.435 4.896 3.845 1.00 0.00 C ATOM 644 CE LYS A 41 -6.694 6.184 4.597 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.793 7.262 4.162 1.00 0.00 N ATOM 0 H LYS A 41 -4.772 4.752 8.091 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.387 2.734 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.619 3.323 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.348 5.011 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.468 2.827 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.871 3.736 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.394 4.827 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.046 4.836 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.729 6.492 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.566 6.013 5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.098 8.162 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.822 7.047 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.821 7.340 3.125 1.00 0.00 H new ATOM 659 N VAL A 42 -3.622 3.946 4.091 1.00 0.00 N ATOM 660 CA VAL A 42 -3.045 4.535 2.895 1.00 0.00 C ATOM 661 C VAL A 42 -3.710 3.951 1.667 1.00 0.00 C ATOM 662 O VAL A 42 -4.446 2.973 1.763 1.00 0.00 O ATOM 663 CB VAL A 42 -1.543 4.269 2.834 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.810 5.256 3.735 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.273 2.823 3.256 1.00 0.00 C ATOM 0 H VAL A 42 -3.813 2.950 3.982 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.209 5.612 2.926 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.177 4.407 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.262 5.064 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.011 6.273 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.156 5.138 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.202 2.626 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.632 2.668 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.793 2.144 2.581 1.00 0.00 H new ATOM 675 N ASN A 43 -3.475 4.577 0.513 1.00 0.00 N ATOM 676 CA ASN A 43 -3.991 4.100 -0.757 1.00 0.00 C ATOM 677 C ASN A 43 -3.362 2.757 -1.086 1.00 0.00 C ATOM 678 O ASN A 43 -2.194 2.677 -1.468 1.00 0.00 O ATOM 679 CB ASN A 43 -3.734 5.125 -1.857 1.00 0.00 C ATOM 680 CG ASN A 43 -4.033 4.557 -3.238 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.203 4.661 -4.133 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.185 3.923 -3.422 1.00 0.00 N ATOM 0 H ASN A 43 -2.920 5.430 0.440 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.070 3.966 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.352 6.006 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.695 5.451 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.399 3.506 -4.328 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.856 3.853 -2.657 1.00 0.00 H new ATOM 689 N ALA A 44 -4.185 1.725 -0.934 1.00 0.00 N ATOM 690 CA ALA A 44 -3.892 0.311 -1.120 1.00 0.00 C ATOM 691 C ALA A 44 -3.589 -0.076 -2.566 1.00 0.00 C ATOM 692 O ALA A 44 -4.228 -0.954 -3.141 1.00 0.00 O ATOM 693 CB ALA A 44 -5.101 -0.483 -0.660 1.00 0.00 C ATOM 0 H ALA A 44 -5.155 1.870 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.995 0.093 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.907 -1.548 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.295 -0.274 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.970 -0.198 -1.252 1.00 0.00 H new ATOM 699 N LYS A 45 -2.590 0.573 -3.140 1.00 0.00 N ATOM 700 CA LYS A 45 -2.168 0.415 -4.517 1.00 0.00 C ATOM 701 C LYS A 45 -1.058 1.416 -4.815 1.00 0.00 C ATOM 702 O LYS A 45 -0.233 1.186 -5.694 1.00 0.00 O ATOM 703 CB LYS A 45 -3.354 0.593 -5.470 1.00 0.00 C ATOM 704 CG LYS A 45 -3.981 1.983 -5.373 1.00 0.00 C ATOM 705 CD LYS A 45 -5.064 2.133 -6.443 1.00 0.00 C ATOM 706 CE LYS A 45 -6.137 1.067 -6.232 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.271 1.241 -7.156 1.00 0.00 N ATOM 0 H LYS A 45 -2.027 1.256 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.783 -0.593 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.022 0.418 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.111 -0.159 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.411 2.131 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.216 2.748 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.508 3.127 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.626 2.032 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.700 0.079 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.496 1.111 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.749 0.328 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.943 1.926 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.923 1.592 -8.071 1.00 0.00 H new ATOM 721 N SER A 46 -1.030 2.534 -4.086 1.00 0.00 N ATOM 722 CA SER A 46 0.041 3.486 -4.276 1.00 0.00 C ATOM 723 C SER A 46 1.279 3.012 -3.519 1.00 0.00 C ATOM 724 O SER A 46 1.173 2.271 -2.543 1.00 0.00 O ATOM 725 CB SER A 46 -0.411 4.868 -3.816 1.00 0.00 C ATOM 726 OG SER A 46 0.522 5.838 -4.250 1.00 0.00 O ATOM 0 H SER A 46 -1.721 2.789 -3.380 1.00 0.00 H new ATOM 0 HA SER A 46 0.298 3.558 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.399 5.092 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.497 4.891 -2.730 1.00 0.00 H new ATOM 0 HG SER A 46 0.914 6.287 -3.472 1.00 0.00 H new ATOM 732 N ILE A 47 2.445 3.460 -3.981 1.00 0.00 N ATOM 733 CA ILE A 47 3.766 3.180 -3.432 1.00 0.00 C ATOM 734 C ILE A 47 3.772 3.124 -1.906 1.00 0.00 C ATOM 735 O ILE A 47 4.091 2.091 -1.327 1.00 0.00 O ATOM 736 CB ILE A 47 4.757 4.218 -3.982 1.00 0.00 C ATOM 737 CG1 ILE A 47 6.161 4.076 -3.380 1.00 0.00 C ATOM 738 CG2 ILE A 47 4.254 5.653 -3.801 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.276 4.800 -2.038 1.00 0.00 C ATOM 0 H ILE A 47 2.493 4.066 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 47 4.075 2.184 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 47 4.828 4.010 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.394 3.020 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.898 4.479 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.989 6.350 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.308 5.776 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.107 5.856 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.284 4.677 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.068 5.861 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.557 4.379 -1.335 1.00 0.00 H new ATOM 751 N MET A 48 3.407 4.223 -1.248 1.00 0.00 N ATOM 752 CA MET A 48 3.409 4.282 0.206 1.00 0.00 C ATOM 753 C MET A 48 2.331 3.382 0.821 1.00 0.00 C ATOM 754 O MET A 48 2.438 2.969 1.975 1.00 0.00 O ATOM 755 CB MET A 48 3.286 5.736 0.671 1.00 0.00 C ATOM 756 CG MET A 48 1.828 6.187 0.751 1.00 0.00 C ATOM 757 SD MET A 48 0.951 6.344 -0.823 1.00 0.00 S ATOM 758 CE MET A 48 -0.565 5.494 -0.350 1.00 0.00 C ATOM 0 H MET A 48 3.106 5.085 -1.703 1.00 0.00 H new ATOM 0 HA MET A 48 4.362 3.891 0.563 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.754 5.845 1.649 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.829 6.384 -0.016 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.285 5.479 1.376 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.795 7.151 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.641 4.554 -0.897 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.549 5.290 0.721 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.424 6.122 -0.587 1.00 0.00 H new ATOM 768 N GLY A 49 1.275 3.099 0.060 1.00 0.00 N ATOM 769 CA GLY A 49 0.216 2.219 0.493 1.00 0.00 C ATOM 770 C GLY A 49 0.766 0.807 0.573 1.00 0.00 C ATOM 771 O GLY A 49 0.683 0.191 1.628 1.00 0.00 O ATOM 0 H GLY A 49 1.139 3.480 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.164 2.533 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.620 2.261 -0.205 1.00 0.00 H new ATOM 775 N LEU A 50 1.340 0.307 -0.524 1.00 0.00 N ATOM 776 CA LEU A 50 1.917 -1.015 -0.617 1.00 0.00 C ATOM 777 C LEU A 50 3.202 -1.098 0.199 1.00 0.00 C ATOM 778 O LEU A 50 3.268 -1.784 1.212 1.00 0.00 O ATOM 779 CB LEU A 50 2.220 -1.263 -2.097 1.00 0.00 C ATOM 780 CG LEU A 50 2.461 -2.728 -2.458 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.842 -2.797 -3.932 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.592 -3.342 -1.648 1.00 0.00 C ATOM 0 H LEU A 50 1.413 0.836 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 50 1.229 -1.763 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.388 -0.887 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.100 -0.684 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 50 1.549 -3.284 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.019 -3.835 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.031 -2.390 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.748 -2.215 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.725 -4.384 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.514 -2.792 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.349 -3.291 -0.587 1.00 0.00 H new ATOM 794 N MET A 51 4.230 -0.399 -0.277 1.00 0.00 N ATOM 795 CA MET A 51 5.569 -0.443 0.264 1.00 0.00 C ATOM 796 C MET A 51 5.655 0.130 1.671 1.00 0.00 C ATOM 797 O MET A 51 6.384 -0.410 2.496 1.00 0.00 O ATOM 798 CB MET A 51 6.495 0.303 -0.704 1.00 0.00 C ATOM 799 CG MET A 51 7.945 0.333 -0.215 1.00 0.00 C ATOM 800 SD MET A 51 8.378 1.750 0.828 1.00 0.00 S ATOM 801 CE MET A 51 8.144 3.067 -0.379 1.00 0.00 C ATOM 0 H MET A 51 4.142 0.230 -1.075 1.00 0.00 H new ATOM 0 HA MET A 51 5.879 -1.484 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.454 -0.175 -1.683 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.136 1.324 -0.832 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.142 -0.582 0.343 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.605 0.326 -1.083 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.087 3.592 -0.532 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.810 2.639 -1.324 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.393 3.767 -0.012 1.00 0.00 H new ATOM 811 N SER A 52 4.973 1.239 1.953 1.00 0.00 N ATOM 812 CA SER A 52 5.132 1.843 3.260 1.00 0.00 C ATOM 813 C SER A 52 4.286 1.164 4.331 1.00 0.00 C ATOM 814 O SER A 52 4.817 0.518 5.228 1.00 0.00 O ATOM 815 CB SER A 52 4.882 3.346 3.164 1.00 0.00 C ATOM 816 OG SER A 52 5.629 3.864 2.078 1.00 0.00 O ATOM 0 H SER A 52 4.332 1.716 1.319 1.00 0.00 H new ATOM 0 HA SER A 52 6.161 1.691 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.820 3.544 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.175 3.837 4.092 1.00 0.00 H new ATOM 0 HG SER A 52 5.739 4.832 2.188 1.00 0.00 H new ATOM 822 N LEU A 53 2.965 1.324 4.272 1.00 0.00 N ATOM 823 CA LEU A 53 2.118 0.791 5.324 1.00 0.00 C ATOM 824 C LEU A 53 1.846 -0.697 5.155 1.00 0.00 C ATOM 825 O LEU A 53 2.065 -1.479 6.082 1.00 0.00 O ATOM 826 CB LEU A 53 0.822 1.584 5.383 1.00 0.00 C ATOM 827 CG LEU A 53 1.082 2.987 5.928 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.912 3.853 4.983 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.268 3.655 6.089 1.00 0.00 C ATOM 0 H LEU A 53 2.471 1.808 3.522 1.00 0.00 H new ATOM 0 HA LEU A 53 2.649 0.897 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.382 1.649 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.101 1.068 6.017 1.00 0.00 H new ATOM 0 HG LEU A 53 1.638 2.891 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.061 4.837 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.880 3.381 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.388 3.960 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.131 4.664 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.768 3.704 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.879 3.079 6.784 1.00 0.00 H new ATOM 841 N ALA A 54 1.375 -1.089 3.971 1.00 0.00 N ATOM 842 CA ALA A 54 1.036 -2.461 3.635 1.00 0.00 C ATOM 843 C ALA A 54 2.219 -3.417 3.806 1.00 0.00 C ATOM 844 O ALA A 54 2.016 -4.621 3.923 1.00 0.00 O ATOM 845 CB ALA A 54 0.470 -2.497 2.220 1.00 0.00 C ATOM 0 H ALA A 54 1.216 -0.438 3.202 1.00 0.00 H new ATOM 0 HA ALA A 54 0.278 -2.815 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.212 -3.523 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.423 -1.874 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.216 -2.120 1.520 1.00 0.00 H new ATOM 851 N VAL A 55 3.450 -2.910 3.868 1.00 0.00 N ATOM 852 CA VAL A 55 4.606 -3.750 4.121 1.00 0.00 C ATOM 853 C VAL A 55 4.640 -4.255 5.572 1.00 0.00 C ATOM 854 O VAL A 55 5.486 -5.069 5.939 1.00 0.00 O ATOM 855 CB VAL A 55 5.883 -2.995 3.751 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.289 -2.034 4.868 1.00 0.00 C ATOM 857 CG2 VAL A 55 7.011 -3.992 3.506 1.00 0.00 C ATOM 0 H VAL A 55 3.666 -1.921 3.746 1.00 0.00 H new ATOM 0 HA VAL A 55 4.534 -4.637 3.492 1.00 0.00 H new ATOM 0 HB VAL A 55 5.694 -2.417 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.200 -1.508 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.490 -1.312 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.467 -2.596 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.921 -3.454 3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.184 -4.576 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.735 -4.660 2.690 1.00 0.00 H new ATOM 867 N SER A 56 3.724 -3.795 6.425 1.00 0.00 N ATOM 868 CA SER A 56 3.748 -4.190 7.818 1.00 0.00 C ATOM 869 C SER A 56 3.129 -5.564 8.056 1.00 0.00 C ATOM 870 O SER A 56 2.083 -5.671 8.701 1.00 0.00 O ATOM 871 CB SER A 56 3.077 -3.110 8.665 1.00 0.00 C ATOM 872 OG SER A 56 3.613 -1.844 8.331 1.00 0.00 O ATOM 0 H SER A 56 2.969 -3.157 6.173 1.00 0.00 H new ATOM 0 HA SER A 56 4.790 -4.286 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.000 -3.117 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.234 -3.315 9.724 1.00 0.00 H new ATOM 0 HG SER A 56 3.241 -1.547 7.475 1.00 0.00 H new ATOM 878 N THR A 57 3.783 -6.610 7.548 1.00 0.00 N ATOM 879 CA THR A 57 3.409 -7.996 7.767 1.00 0.00 C ATOM 880 C THR A 57 3.002 -8.251 9.221 1.00 0.00 C ATOM 881 O THR A 57 3.798 -8.064 10.137 1.00 0.00 O ATOM 882 CB THR A 57 4.590 -8.886 7.391 1.00 0.00 C ATOM 883 OG1 THR A 57 5.214 -8.384 6.228 1.00 0.00 O ATOM 884 CG2 THR A 57 4.072 -10.296 7.135 1.00 0.00 C ATOM 0 H THR A 57 4.609 -6.507 6.958 1.00 0.00 H new ATOM 0 HA THR A 57 2.545 -8.227 7.144 1.00 0.00 H new ATOM 0 HB THR A 57 5.320 -8.901 8.200 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.126 -8.738 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.904 -10.946 6.865 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.592 -10.677 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.348 -10.275 6.320 1.00 0.00 H new ATOM 892 N GLY A 58 1.755 -8.669 9.429 1.00 0.00 N ATOM 893 CA GLY A 58 1.225 -8.957 10.749 1.00 0.00 C ATOM 894 C GLY A 58 0.341 -7.838 11.300 1.00 0.00 C ATOM 895 O GLY A 58 -0.319 -8.040 12.316 1.00 0.00 O ATOM 0 H GLY A 58 1.083 -8.817 8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.648 -9.881 10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.053 -9.129 11.436 1.00 0.00 H new ATOM 899 N THR A 59 0.272 -6.677 10.645 1.00 0.00 N ATOM 900 CA THR A 59 -0.531 -5.591 11.186 1.00 0.00 C ATOM 901 C THR A 59 -1.980 -5.770 10.762 1.00 0.00 C ATOM 902 O THR A 59 -2.242 -6.011 9.586 1.00 0.00 O ATOM 903 CB THR A 59 -0.006 -4.229 10.716 1.00 0.00 C ATOM 904 OG1 THR A 59 1.397 -4.162 10.842 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.609 -3.113 11.565 1.00 0.00 C ATOM 0 H THR A 59 0.748 -6.472 9.767 1.00 0.00 H new ATOM 0 HA THR A 59 -0.464 -5.618 12.274 1.00 0.00 H new ATOM 0 HB THR A 59 -0.289 -4.109 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.812 -4.788 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.230 -2.150 11.223 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.695 -3.130 11.470 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.334 -3.261 12.609 1.00 0.00 H new ATOM 913 N GLU A 60 -2.926 -5.656 11.694 1.00 0.00 N ATOM 914 CA GLU A 60 -4.331 -5.769 11.343 1.00 0.00 C ATOM 915 C GLU A 60 -4.751 -4.470 10.669 1.00 0.00 C ATOM 916 O GLU A 60 -5.166 -3.508 11.308 1.00 0.00 O ATOM 917 CB GLU A 60 -5.176 -6.088 12.572 1.00 0.00 C ATOM 918 CG GLU A 60 -4.597 -7.305 13.292 1.00 0.00 C ATOM 919 CD GLU A 60 -5.432 -7.671 14.507 1.00 0.00 C ATOM 920 OE1 GLU A 60 -6.447 -8.368 14.306 1.00 0.00 O ATOM 921 OE2 GLU A 60 -5.031 -7.251 15.616 1.00 0.00 O ATOM 0 H GLU A 60 -2.744 -5.488 12.683 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.488 -6.596 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.196 -5.230 13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.206 -6.284 12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.556 -8.152 12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.573 -7.095 13.601 1.00 0.00 H new ATOM 928 N VAL A 61 -4.591 -4.434 9.357 1.00 0.00 N ATOM 929 CA VAL A 61 -4.861 -3.264 8.560 1.00 0.00 C ATOM 930 C VAL A 61 -6.158 -3.455 7.782 1.00 0.00 C ATOM 931 O VAL A 61 -6.434 -4.529 7.247 1.00 0.00 O ATOM 932 CB VAL A 61 -3.640 -2.990 7.680 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.372 -3.014 8.525 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.419 -4.113 6.685 1.00 0.00 C ATOM 0 H VAL A 61 -4.264 -5.233 8.813 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.018 -2.381 9.180 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.824 -2.032 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.508 -2.818 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.435 -2.248 9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.264 -3.993 8.992 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.545 -3.890 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.258 -5.048 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.295 -4.209 6.044 1.00 0.00 H new ATOM 944 N THR A 62 -6.998 -2.427 7.759 1.00 0.00 N ATOM 945 CA THR A 62 -8.281 -2.475 7.086 1.00 0.00 C ATOM 946 C THR A 62 -8.122 -2.132 5.608 1.00 0.00 C ATOM 947 O THR A 62 -7.715 -1.026 5.263 1.00 0.00 O ATOM 948 CB THR A 62 -9.259 -1.533 7.786 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.649 -0.839 8.863 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.403 -2.370 8.344 1.00 0.00 C ATOM 0 H THR A 62 -6.803 -1.534 8.211 1.00 0.00 H new ATOM 0 HA THR A 62 -8.685 -3.486 7.140 1.00 0.00 H new ATOM 0 HB THR A 62 -9.606 -0.797 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.521 -1.452 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.117 -1.720 8.850 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.903 -2.893 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.009 -3.098 9.054 1.00 0.00 H new ATOM 958 N LEU A 63 -8.416 -3.084 4.729 1.00 0.00 N ATOM 959 CA LEU A 63 -8.281 -2.878 3.303 1.00 0.00 C ATOM 960 C LEU A 63 -9.598 -2.384 2.719 1.00 0.00 C ATOM 961 O LEU A 63 -10.584 -3.120 2.663 1.00 0.00 O ATOM 962 CB LEU A 63 -7.803 -4.172 2.663 1.00 0.00 C ATOM 963 CG LEU A 63 -7.252 -3.902 1.271 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.378 -5.094 0.913 1.00 0.00 C ATOM 965 CD2 LEU A 63 -8.392 -3.755 0.264 1.00 0.00 C ATOM 0 H LEU A 63 -8.752 -4.012 4.989 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.539 -2.107 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.033 -4.629 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.628 -4.882 2.603 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.680 -2.974 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.956 -4.950 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.571 -5.185 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.980 -6.003 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.980 -3.562 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.978 -4.674 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.033 -2.924 0.558 1.00 0.00 H new ATOM 977 N ILE A 64 -9.596 -1.118 2.312 1.00 0.00 N ATOM 978 CA ILE A 64 -10.724 -0.408 1.745 1.00 0.00 C ATOM 979 C ILE A 64 -10.610 -0.342 0.229 1.00 0.00 C ATOM 980 O ILE A 64 -9.557 -0.602 -0.348 1.00 0.00 O ATOM 981 CB ILE A 64 -10.694 1.041 2.260 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.640 1.117 3.777 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.915 1.847 1.818 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.410 2.573 4.170 1.00 0.00 C ATOM 0 H ILE A 64 -8.761 -0.535 2.375 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.640 -0.927 2.028 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.787 1.463 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.570 0.748 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.837 0.488 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.842 2.862 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.955 1.880 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.820 1.375 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.367 2.654 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.470 2.921 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.229 3.186 3.792 1.00 0.00 H new ATOM 996 N ALA A 65 -11.695 0.076 -0.407 1.00 0.00 N ATOM 997 CA ALA A 65 -11.729 0.433 -1.803 1.00 0.00 C ATOM 998 C ALA A 65 -12.791 1.506 -1.922 1.00 0.00 C ATOM 999 O ALA A 65 -13.971 1.214 -1.767 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.060 -0.788 -2.645 1.00 0.00 C ATOM 0 H ALA A 65 -12.599 0.176 0.055 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.768 0.801 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.083 -0.508 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.300 -1.554 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.034 -1.179 -2.352 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.395 2.757 -2.139 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.386 3.802 -2.249 1.00 0.00 C ATOM 1008 C GLN A 66 -13.586 4.183 -3.707 1.00 0.00 C ATOM 1009 O GLN A 66 -13.078 5.197 -4.184 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.023 4.962 -1.306 1.00 0.00 C ATOM 1011 CG GLN A 66 -11.919 5.890 -1.800 1.00 0.00 C ATOM 1012 CD GLN A 66 -11.990 7.234 -1.085 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.937 7.505 -0.351 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.015 8.112 -1.288 1.00 0.00 N ATOM 0 H GLN A 66 -11.425 3.058 -2.238 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.364 3.454 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.919 5.556 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.720 4.545 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.946 5.431 -1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.015 6.038 -2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.234 7.875 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.047 9.024 -0.832 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.265 3.311 -4.443 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.571 3.548 -5.837 1.00 0.00 C ATOM 1025 C GLY A 67 -15.737 2.686 -6.296 1.00 0.00 C ATOM 1026 O GLY A 67 -16.472 2.121 -5.486 1.00 0.00 O ATOM 0 H GLY A 67 -14.616 2.423 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.812 4.601 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.694 3.333 -6.447 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.871 2.570 -7.616 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.924 1.813 -8.269 1.00 0.00 C ATOM 1032 C GLU A 68 -16.939 0.359 -7.810 1.00 0.00 C ATOM 1033 O GLU A 68 -18.004 -0.244 -7.719 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.710 1.914 -9.776 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.774 3.385 -10.186 1.00 0.00 C ATOM 1036 CD GLU A 68 -15.917 3.651 -11.411 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -16.305 3.170 -12.497 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -14.877 4.320 -11.228 1.00 0.00 O ATOM 0 H GLU A 68 -15.230 3.014 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.895 2.228 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.745 1.488 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.472 1.342 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.807 3.663 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.436 4.011 -9.360 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.775 -0.218 -7.504 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.738 -1.564 -6.995 1.00 0.00 C ATOM 1047 C ASP A 69 -15.318 -1.428 -5.553 1.00 0.00 C ATOM 1048 O ASP A 69 -14.310 -2.017 -5.195 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.747 -2.427 -7.777 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.932 -2.322 -9.284 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.337 -1.383 -9.858 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.650 -3.185 -9.831 1.00 0.00 O ATOM 0 H ASP A 69 -14.864 0.230 -7.603 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.704 -2.058 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.731 -2.129 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.861 -3.468 -7.474 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.962 -0.576 -4.749 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.582 -0.426 -3.369 1.00 0.00 C ATOM 1059 C GLU A 70 -15.603 -1.787 -2.701 1.00 0.00 C ATOM 1060 O GLU A 70 -14.544 -2.345 -2.426 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.480 0.607 -2.686 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.987 0.370 -2.800 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.738 1.360 -1.927 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.538 1.284 -0.696 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -19.497 2.168 -2.501 1.00 0.00 O ATOM 0 H GLU A 70 -16.743 0.011 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.565 -0.042 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.218 0.644 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.254 1.588 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.302 0.476 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.227 -0.649 -2.497 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.807 -2.339 -2.523 1.00 0.00 N ATOM 1073 CA GLN A 71 -17.046 -3.626 -1.896 1.00 0.00 C ATOM 1074 C GLN A 71 -16.135 -4.691 -2.481 1.00 0.00 C ATOM 1075 O GLN A 71 -15.453 -5.388 -1.737 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.514 -4.012 -2.106 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.823 -5.414 -1.574 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.615 -5.494 -0.072 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -19.561 -5.365 0.699 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.372 -5.663 0.362 1.00 0.00 N ATOM 0 H GLN A 71 -17.666 -1.880 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.830 -3.552 -0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.154 -3.286 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.752 -3.968 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.853 -5.678 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.183 -6.143 -2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.608 -5.767 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.181 -5.689 1.364 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.150 -4.790 -3.806 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.431 -5.773 -4.578 1.00 0.00 C ATOM 1091 C GLU A 72 -13.935 -5.705 -4.294 1.00 0.00 C ATOM 1092 O GLU A 72 -13.296 -6.696 -3.937 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.734 -5.420 -6.031 1.00 0.00 C ATOM 1094 CG GLU A 72 -14.830 -6.155 -7.003 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.208 -7.622 -7.138 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.423 -7.886 -7.256 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.271 -8.450 -7.117 1.00 0.00 O ATOM 0 H GLU A 72 -16.692 -4.153 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.733 -6.791 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.774 -5.661 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.619 -4.345 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.884 -5.676 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.796 -6.077 -6.666 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.383 -4.510 -4.479 1.00 0.00 N ATOM 1105 CA ALA A 73 -11.977 -4.246 -4.330 1.00 0.00 C ATOM 1106 C ALA A 73 -11.555 -4.535 -2.896 1.00 0.00 C ATOM 1107 O ALA A 73 -10.711 -5.393 -2.646 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.794 -2.788 -4.739 1.00 0.00 C ATOM 0 H ALA A 73 -13.924 -3.686 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.345 -4.881 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.743 -2.514 -4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.117 -2.656 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.391 -2.150 -4.088 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.190 -3.846 -1.952 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.899 -3.969 -0.539 1.00 0.00 C ATOM 1116 C LEU A 74 -11.946 -5.421 -0.066 1.00 0.00 C ATOM 1117 O LEU A 74 -11.031 -5.868 0.624 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.867 -3.058 0.214 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.306 -3.547 0.086 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.665 -4.571 1.149 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -15.273 -2.379 0.163 1.00 0.00 C ATOM 0 H LEU A 74 -12.932 -3.177 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.877 -3.651 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.587 -3.018 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.790 -2.043 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.388 -4.032 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.699 -4.888 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.006 -5.435 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.547 -4.126 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.295 -2.746 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -15.155 -1.872 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -15.064 -1.679 -0.646 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.982 -6.172 -0.454 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.135 -7.531 0.020 1.00 0.00 C ATOM 1135 C GLU A 75 -12.097 -8.463 -0.589 1.00 0.00 C ATOM 1136 O GLU A 75 -11.460 -9.209 0.151 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.561 -8.035 -0.214 1.00 0.00 C ATOM 1138 CG GLU A 75 -14.907 -8.016 -1.700 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.285 -8.597 -1.969 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -16.436 -9.817 -1.748 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.160 -7.807 -2.383 1.00 0.00 O ATOM 0 H GLU A 75 -13.715 -5.856 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.959 -7.528 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.661 -9.049 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.266 -7.412 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.867 -6.991 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.159 -8.584 -2.254 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.903 -8.428 -1.914 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.965 -9.353 -2.521 1.00 0.00 C ATOM 1150 C LYS A 76 -9.568 -9.100 -1.976 1.00 0.00 C ATOM 1151 O LYS A 76 -8.855 -10.027 -1.597 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.040 -9.287 -4.047 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.507 -8.002 -4.674 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.135 -8.290 -6.131 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.304 -7.148 -6.724 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.057 -7.344 -8.162 1.00 0.00 N ATOM 0 H LYS A 76 -12.369 -7.790 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.234 -10.375 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.484 -10.129 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.080 -9.414 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.260 -7.215 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.636 -7.645 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.572 -9.222 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.041 -8.429 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.823 -6.202 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.352 -7.079 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.565 -6.512 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.467 -8.189 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.964 -7.469 -8.656 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.205 -7.824 -1.898 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.897 -7.449 -1.400 1.00 0.00 C ATOM 1172 C LEU A 77 -7.734 -7.772 0.080 1.00 0.00 C ATOM 1173 O LEU A 77 -6.798 -8.486 0.425 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.589 -5.988 -1.692 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.259 -5.799 -3.170 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.293 -6.869 -3.632 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.475 -6.059 -4.029 1.00 0.00 C ATOM 0 H LEU A 77 -9.797 -7.040 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.165 -8.053 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.444 -5.368 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.750 -5.657 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.872 -4.785 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.066 -6.723 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.373 -6.804 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.743 -7.851 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.216 -5.918 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.818 -7.082 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.269 -5.365 -3.755 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.609 -7.266 0.960 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.476 -7.538 2.387 1.00 0.00 C ATOM 1191 C ALA A 78 -8.560 -9.033 2.680 1.00 0.00 C ATOM 1192 O ALA A 78 -7.991 -9.499 3.664 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.491 -6.757 3.211 1.00 0.00 C ATOM 0 H ALA A 78 -9.402 -6.676 0.709 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.485 -7.196 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.357 -6.989 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.344 -5.689 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.499 -7.034 2.904 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.262 -9.800 1.848 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.221 -11.239 1.979 1.00 0.00 C ATOM 1201 C ALA A 79 -7.799 -11.689 1.657 1.00 0.00 C ATOM 1202 O ALA A 79 -7.091 -12.245 2.498 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.187 -11.855 0.973 1.00 0.00 C ATOM 0 H ALA A 79 -9.852 -9.450 1.093 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.503 -11.549 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.163 -12.941 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.197 -11.496 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.892 -11.569 -0.037 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.382 -11.381 0.426 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.110 -11.760 -0.158 1.00 0.00 C ATOM 1211 C TYR A 80 -4.929 -11.535 0.785 1.00 0.00 C ATOM 1212 O TYR A 80 -4.232 -12.477 1.148 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.976 -10.936 -1.435 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.676 -11.105 -2.180 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.204 -12.389 -2.507 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.929 -9.968 -2.526 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.993 -12.532 -3.206 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.723 -10.112 -3.230 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.263 -11.392 -3.579 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.116 -11.515 -4.296 1.00 0.00 O ATOM 0 H TYR A 80 -7.957 -10.834 -0.215 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.091 -12.830 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.795 -11.198 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.096 -9.883 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.771 -13.263 -2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.281 -8.985 -2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.625 -13.516 -3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.149 -9.239 -3.503 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.959 -12.460 -4.502 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.730 -10.277 1.171 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.658 -9.763 2.018 1.00 0.00 C ATOM 1232 C VAL A 81 -3.324 -10.595 3.249 1.00 0.00 C ATOM 1233 O VAL A 81 -2.164 -10.652 3.665 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.111 -8.401 2.535 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.318 -7.451 1.372 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.445 -8.588 3.253 1.00 0.00 C ATOM 0 H VAL A 81 -5.363 -9.534 0.877 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.764 -9.757 1.394 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.357 -7.990 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.641 -6.480 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.382 -7.335 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.080 -7.854 0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.792 -7.627 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.180 -8.989 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.317 -9.282 4.084 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.340 -11.177 3.872 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.185 -11.849 5.142 1.00 0.00 C ATOM 1248 C GLN A 82 -4.412 -13.350 5.042 1.00 0.00 C ATOM 1249 O GLN A 82 -3.816 -14.117 5.791 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.215 -11.228 6.075 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.633 -11.488 5.591 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.580 -11.021 6.683 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.358 -11.264 7.866 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.561 -10.233 6.287 1.00 0.00 N ATOM 0 H GLN A 82 -5.292 -11.193 3.506 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.165 -11.725 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.091 -11.636 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.044 -10.154 6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.825 -10.952 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.779 -12.548 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.707 -10.061 5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.174 -9.796 6.976 1.00 0.00 H new ATOM 1263 N GLU A 83 -5.293 -13.730 4.120 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.803 -15.064 3.897 1.00 0.00 C ATOM 1265 C GLU A 83 -4.767 -16.185 3.923 1.00 0.00 C ATOM 1266 O GLU A 83 -4.954 -17.165 4.639 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.571 -15.017 2.582 1.00 0.00 C ATOM 1268 CG GLU A 83 -7.946 -15.658 2.754 1.00 0.00 C ATOM 1269 CD GLU A 83 -8.836 -14.770 3.613 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -8.619 -14.764 4.844 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -9.708 -14.103 3.016 1.00 0.00 O ATOM 0 H GLU A 83 -5.693 -13.058 3.465 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.444 -15.331 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.682 -13.984 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.012 -15.540 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.408 -15.813 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.843 -16.639 3.218 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.706 -16.093 3.120 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.745 -17.178 3.092 1.00 0.00 C ATOM 1280 C GLU A 84 -1.423 -16.739 3.721 1.00 0.00 C ATOM 1281 O GLU A 84 -1.403 -16.157 4.802 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.620 -17.662 1.644 1.00 0.00 C ATOM 1283 CG GLU A 84 -2.231 -16.502 0.724 1.00 0.00 C ATOM 1284 CD GLU A 84 -2.340 -16.901 -0.740 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -1.693 -17.904 -1.104 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -3.069 -16.186 -1.462 1.00 0.00 O ATOM 0 H GLU A 84 -3.500 -15.306 2.504 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.078 -18.022 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.871 -18.451 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.565 -18.094 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.878 -15.647 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.211 -16.187 0.943 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.314 -17.014 3.039 1.00 0.00 N ATOM 1294 CA VAL A 85 1.013 -16.589 3.436 1.00 0.00 C ATOM 1295 C VAL A 85 1.738 -16.286 2.135 1.00 0.00 C ATOM 1296 O VAL A 85 1.628 -17.082 1.152 1.00 0.00 O ATOM 1297 CB VAL A 85 1.770 -17.710 4.253 1.00 0.00 C ATOM 1298 CG1 VAL A 85 0.948 -18.431 5.357 1.00 0.00 C ATOM 1299 CG2 VAL A 85 2.354 -18.841 3.374 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.451 -15.241 2.032 1.00 0.00 O ATOM 0 H VAL A 85 -0.321 -17.553 2.173 1.00 0.00 H new ATOM 0 HA VAL A 85 0.970 -15.723 4.097 1.00 0.00 H new ATOM 0 HB VAL A 85 2.551 -17.108 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.573 -19.177 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.609 -17.702 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.085 -18.920 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.858 -19.571 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.548 -19.330 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.069 -18.420 2.667 1.00 0.00 H new TER 1310 VAL A 85