USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 : amide:sc= -1.02! C(o=-1.8!,f=-9.5!) USER MOD Set 1.2: A 41 LYS NZ :NH3+ -113:sc= 0.143 (180deg=-0.607) USER MOD Set 1.3: A 66 GLN : amide:sc= -0.969! K(o=-1.8!,f=-10) USER MOD Set 2.1: A 15 GLN : amide:sc= 1.01 K(o=-0.89,f=-3.7) USER MOD Set 2.2: A 57 THR OG1 : rot -99:sc= -1.9! USER MOD Set 3.1: A 51 MET CE :methyl -175:sc= -6.4! (180deg=-6.54!) USER MOD Set 3.2: A 52 SER OG : rot -150:sc= -2.04! USER MOD Set 4.1: A 43 ASN : amide:sc= -1.49! C(o=-0.3!,f=-16!) USER MOD Set 4.2: A 46 SER OG : rot 72:sc= 1.19 USER MOD Set 5.1: A 4 GLN : amide:sc= 0.882 K(o=-2.6,f=-3.4) USER MOD Set 5.2: A 71 GLN : amide:sc= -3.52! K(o=-2.6!,f=-3.4) USER MOD Single : A 5 LYS NZ :NH3+ -137:sc= 0.0707 (180deg=-0.378) USER MOD Single : A 11 LYS NZ :NH3+ -137:sc= -3.6! (180deg=-8.06!) USER MOD Single : A 12 THR OG1 : rot -76:sc= -2.43! USER MOD Single : A 24 GLN : amide:sc= -3.39! C(o=-3.4!,f=-4.5!) USER MOD Single : A 27 ASN : amide:sc= -9.34! C(o=-9.3!,f=-10!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 150:sc=-0.00311 USER MOD Single : A 37 LYS NZ :NH3+ -133:sc= -2.92! (180deg=-5.06!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0.554 (180deg=0.522) USER MOD Single : A 48 MET CE :methyl 160:sc= -0.235 (180deg=-1.06) USER MOD Single : A 56 SER OG : rot 68:sc= -0.896 USER MOD Single : A 59 THR OG1 : rot 68:sc= -3.73! USER MOD Single : A 62 THR OG1 : rot 48:sc= -3.17! USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= 1.07 (180deg=0.646) USER MOD Single : A 80 TYR OH : rot 165:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -4.46! C(o=-4.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 19 N GLN A 3 -16.200 4.943 0.559 1.00 0.00 N ATOM 20 CA GLN A 3 -15.011 4.316 1.098 1.00 0.00 C ATOM 21 C GLN A 3 -15.426 3.146 1.979 1.00 0.00 C ATOM 22 O GLN A 3 -16.049 3.347 3.019 1.00 0.00 O ATOM 23 CB GLN A 3 -14.184 5.352 1.862 1.00 0.00 C ATOM 24 CG GLN A 3 -12.767 4.837 2.109 1.00 0.00 C ATOM 25 CD GLN A 3 -11.920 5.874 2.833 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.302 5.570 3.846 1.00 0.00 O ATOM 27 NE2 GLN A 3 -11.878 7.105 2.332 1.00 0.00 N ATOM 0 HA GLN A 3 -14.383 3.928 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.144 6.282 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.665 5.578 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.808 3.922 2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.299 4.582 1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.403 7.330 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.321 7.824 2.793 1.00 0.00 H new ATOM 36 N GLN A 4 -15.089 1.928 1.567 1.00 0.00 N ATOM 37 CA GLN A 4 -15.425 0.741 2.337 1.00 0.00 C ATOM 38 C GLN A 4 -14.143 -0.013 2.659 1.00 0.00 C ATOM 39 O GLN A 4 -13.245 -0.047 1.830 1.00 0.00 O ATOM 40 CB GLN A 4 -16.347 -0.145 1.500 1.00 0.00 C ATOM 41 CG GLN A 4 -17.686 0.548 1.252 1.00 0.00 C ATOM 42 CD GLN A 4 -18.489 0.658 2.538 1.00 0.00 C ATOM 43 OE1 GLN A 4 -18.910 1.742 2.935 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.730 -0.466 3.202 1.00 0.00 N ATOM 0 H GLN A 4 -14.582 1.739 0.702 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.928 1.018 3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -15.870 -0.377 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.512 -1.093 2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.514 1.542 0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.256 -0.010 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.369 -1.353 2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.276 -0.443 4.063 1.00 0.00 H new ATOM 53 N LYS A 5 -14.004 -0.618 3.837 1.00 0.00 N ATOM 54 CA LYS A 5 -12.781 -1.334 4.134 1.00 0.00 C ATOM 55 C LYS A 5 -13.033 -2.504 5.071 1.00 0.00 C ATOM 56 O LYS A 5 -13.884 -2.422 5.955 1.00 0.00 O ATOM 57 CB LYS A 5 -11.754 -0.358 4.701 1.00 0.00 C ATOM 58 CG LYS A 5 -12.383 0.737 5.566 1.00 0.00 C ATOM 59 CD LYS A 5 -12.841 0.176 6.908 1.00 0.00 C ATOM 60 CE LYS A 5 -13.552 1.265 7.707 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.652 2.402 7.969 1.00 0.00 N ATOM 0 H LYS A 5 -14.705 -0.624 4.578 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.384 -1.762 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.026 -0.910 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.208 0.105 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.660 1.537 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.232 1.177 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.512 -0.669 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.984 -0.198 7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.429 1.610 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.908 0.854 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.768 2.717 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.667 2.108 7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.885 3.185 7.326 1.00 0.00 H new ATOM 75 N VAL A 6 -12.291 -3.590 4.865 1.00 0.00 N ATOM 76 CA VAL A 6 -12.372 -4.775 5.700 1.00 0.00 C ATOM 77 C VAL A 6 -10.971 -5.077 6.224 1.00 0.00 C ATOM 78 O VAL A 6 -10.011 -5.101 5.457 1.00 0.00 O ATOM 79 CB VAL A 6 -12.970 -5.945 4.916 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.381 -5.586 4.456 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.124 -6.275 3.690 1.00 0.00 C ATOM 0 H VAL A 6 -11.613 -3.668 4.107 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.036 -4.608 6.548 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.994 -6.814 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.805 -6.421 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.005 -5.376 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.342 -4.704 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.573 -7.110 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.077 -5.405 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.116 -6.546 4.005 1.00 0.00 H new ATOM 91 N GLU A 7 -10.822 -5.245 7.534 1.00 0.00 N ATOM 92 CA GLU A 7 -9.509 -5.458 8.107 1.00 0.00 C ATOM 93 C GLU A 7 -9.093 -6.919 8.050 1.00 0.00 C ATOM 94 O GLU A 7 -9.915 -7.829 7.959 1.00 0.00 O ATOM 95 CB GLU A 7 -9.447 -4.866 9.516 1.00 0.00 C ATOM 96 CG GLU A 7 -8.031 -4.927 10.093 1.00 0.00 C ATOM 97 CD GLU A 7 -7.840 -3.905 11.203 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.590 -2.731 10.848 1.00 0.00 O ATOM 99 OE2 GLU A 7 -7.945 -4.319 12.376 1.00 0.00 O ATOM 0 H GLU A 7 -11.588 -5.237 8.208 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.774 -4.928 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.786 -3.830 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.130 -5.409 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.837 -5.927 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.305 -4.745 9.300 1.00 0.00 H new ATOM 106 N VAL A 8 -7.780 -7.109 8.086 1.00 0.00 N ATOM 107 CA VAL A 8 -7.119 -8.389 7.955 1.00 0.00 C ATOM 108 C VAL A 8 -5.758 -8.281 8.624 1.00 0.00 C ATOM 109 O VAL A 8 -5.252 -7.178 8.802 1.00 0.00 O ATOM 110 CB VAL A 8 -6.953 -8.685 6.457 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.107 -7.433 5.599 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.581 -9.249 6.120 1.00 0.00 C ATOM 0 H VAL A 8 -7.124 -6.338 8.213 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.692 -9.190 8.422 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.736 -9.411 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.981 -7.694 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.099 -7.008 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.351 -6.701 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.519 -9.440 5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.812 -8.531 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.427 -10.181 6.664 1.00 0.00 H new ATOM 122 N ARG A 9 -5.131 -9.395 8.991 1.00 0.00 N ATOM 123 CA ARG A 9 -3.773 -9.240 9.471 1.00 0.00 C ATOM 124 C ARG A 9 -2.836 -9.649 8.351 1.00 0.00 C ATOM 125 O ARG A 9 -3.090 -10.629 7.651 1.00 0.00 O ATOM 126 CB ARG A 9 -3.524 -9.992 10.770 1.00 0.00 C ATOM 127 CG ARG A 9 -2.244 -9.448 11.399 1.00 0.00 C ATOM 128 CD ARG A 9 -2.177 -9.790 12.885 1.00 0.00 C ATOM 129 NE ARG A 9 -3.280 -9.172 13.630 1.00 0.00 N ATOM 130 CZ ARG A 9 -4.444 -9.774 13.906 1.00 0.00 C ATOM 131 NH1 ARG A 9 -4.709 -10.986 13.409 1.00 0.00 N ATOM 132 NH2 ARG A 9 -5.337 -9.158 14.685 1.00 0.00 N ATOM 0 H ARG A 9 -5.508 -10.342 8.969 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.586 -8.198 9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.366 -9.864 11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.429 -11.061 10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.377 -9.865 10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.202 -8.367 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.212 -10.872 13.012 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.225 -9.452 13.295 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.151 -8.216 13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.024 -11.456 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.597 -11.441 13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.131 -8.235 15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.225 -9.611 14.899 1.00 0.00 H new ATOM 146 N LEU A 10 -1.777 -8.872 8.150 1.00 0.00 N ATOM 147 CA LEU A 10 -0.853 -9.134 7.065 1.00 0.00 C ATOM 148 C LEU A 10 -0.102 -10.443 7.225 1.00 0.00 C ATOM 149 O LEU A 10 0.958 -10.471 7.841 1.00 0.00 O ATOM 150 CB LEU A 10 0.147 -7.994 6.918 1.00 0.00 C ATOM 151 CG LEU A 10 -0.386 -6.986 5.911 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.751 -7.688 4.606 1.00 0.00 C ATOM 153 CD2 LEU A 10 -1.630 -6.321 6.473 1.00 0.00 C ATOM 0 H LEU A 10 -1.542 -8.062 8.723 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.463 -9.213 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.310 -7.511 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.111 -8.381 6.588 1.00 0.00 H new ATOM 0 HG LEU A 10 0.385 -6.240 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.131 -6.956 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.134 -8.171 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.517 -8.439 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.013 -5.598 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.390 -7.077 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.381 -5.809 7.403 1.00 0.00 H new ATOM 165 N LYS A 11 -0.602 -11.508 6.605 1.00 0.00 N ATOM 166 CA LYS A 11 0.160 -12.743 6.557 1.00 0.00 C ATOM 167 C LYS A 11 1.309 -12.465 5.592 1.00 0.00 C ATOM 168 O LYS A 11 2.451 -12.823 5.867 1.00 0.00 O ATOM 169 CB LYS A 11 -0.742 -13.904 6.135 1.00 0.00 C ATOM 170 CG LYS A 11 0.010 -15.029 5.440 1.00 0.00 C ATOM 171 CD LYS A 11 0.112 -14.709 3.947 1.00 0.00 C ATOM 172 CE LYS A 11 -1.168 -14.021 3.488 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.248 -13.921 2.026 1.00 0.00 N ATOM 0 H LYS A 11 -1.510 -11.539 6.140 1.00 0.00 H new ATOM 0 HA LYS A 11 0.560 -13.046 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.245 -14.303 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.518 -13.528 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.005 -15.139 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.508 -15.976 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.971 -14.065 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.270 -15.625 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.030 -14.574 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.218 -13.023 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.591 -12.976 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.305 -14.075 1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.905 -14.642 1.664 1.00 0.00 H new ATOM 187 N THR A 12 1.003 -11.760 4.501 1.00 0.00 N ATOM 188 CA THR A 12 2.034 -11.276 3.610 1.00 0.00 C ATOM 189 C THR A 12 2.852 -10.215 4.345 1.00 0.00 C ATOM 190 O THR A 12 4.045 -10.338 4.614 1.00 0.00 O ATOM 191 CB THR A 12 1.413 -10.627 2.367 1.00 0.00 C ATOM 192 OG1 THR A 12 0.356 -9.740 2.711 1.00 0.00 O ATOM 193 CG2 THR A 12 0.874 -11.695 1.431 1.00 0.00 C ATOM 0 H THR A 12 0.052 -11.518 4.223 1.00 0.00 H new ATOM 0 HA THR A 12 2.658 -12.115 3.303 1.00 0.00 H new ATOM 0 HB THR A 12 2.199 -10.057 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.442 -10.258 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.436 -11.221 0.553 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.687 -12.352 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.112 -12.279 1.946 1.00 0.00 H new ATOM 201 N GLY A 13 2.148 -9.148 4.709 1.00 0.00 N ATOM 202 CA GLY A 13 2.794 -7.911 5.091 1.00 0.00 C ATOM 203 C GLY A 13 3.370 -7.325 3.806 1.00 0.00 C ATOM 204 O GLY A 13 4.474 -6.795 3.793 1.00 0.00 O ATOM 0 H GLY A 13 1.129 -9.122 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.082 -7.224 5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.580 -8.091 5.825 1.00 0.00 H new ATOM 208 N LEU A 14 2.627 -7.528 2.712 1.00 0.00 N ATOM 209 CA LEU A 14 2.822 -6.947 1.402 1.00 0.00 C ATOM 210 C LEU A 14 4.283 -6.837 0.979 1.00 0.00 C ATOM 211 O LEU A 14 4.747 -5.785 0.545 1.00 0.00 O ATOM 212 CB LEU A 14 2.042 -5.645 1.306 1.00 0.00 C ATOM 213 CG LEU A 14 0.617 -6.010 0.895 1.00 0.00 C ATOM 214 CD1 LEU A 14 -0.263 -6.291 2.106 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.009 -4.913 0.024 1.00 0.00 C ATOM 0 H LEU A 14 1.818 -8.149 2.733 1.00 0.00 H new ATOM 0 HA LEU A 14 2.416 -7.636 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.046 -5.121 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.496 -4.976 0.574 1.00 0.00 H new ATOM 0 HG LEU A 14 0.668 -6.928 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.269 -6.547 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.154 -7.123 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.305 -5.405 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.006 -5.193 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.014 -3.977 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.613 -4.785 -0.874 1.00 0.00 H new ATOM 227 N GLN A 15 4.998 -7.949 1.014 1.00 0.00 N ATOM 228 CA GLN A 15 6.421 -7.984 0.735 1.00 0.00 C ATOM 229 C GLN A 15 6.716 -8.053 -0.761 1.00 0.00 C ATOM 230 O GLN A 15 7.419 -8.940 -1.246 1.00 0.00 O ATOM 231 CB GLN A 15 7.077 -9.107 1.534 1.00 0.00 C ATOM 232 CG GLN A 15 6.735 -8.914 3.013 1.00 0.00 C ATOM 233 CD GLN A 15 7.663 -9.707 3.919 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.584 -10.375 3.459 1.00 0.00 O ATOM 235 NE2 GLN A 15 7.453 -9.633 5.230 1.00 0.00 N ATOM 0 H GLN A 15 4.601 -8.861 1.239 1.00 0.00 H new ATOM 0 HA GLN A 15 6.865 -7.044 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.721 -10.077 1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.157 -9.093 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.799 -7.855 3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.705 -9.222 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.682 -9.072 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.063 -10.137 5.873 1.00 0.00 H new ATOM 244 N ALA A 16 6.172 -7.085 -1.500 1.00 0.00 N ATOM 245 CA ALA A 16 6.398 -6.883 -2.922 1.00 0.00 C ATOM 246 C ALA A 16 5.724 -7.925 -3.809 1.00 0.00 C ATOM 247 O ALA A 16 4.970 -7.552 -4.697 1.00 0.00 O ATOM 248 CB ALA A 16 7.898 -6.817 -3.206 1.00 0.00 C ATOM 0 H ALA A 16 5.536 -6.394 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 16 5.929 -5.933 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.060 -6.666 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.337 -5.988 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.368 -7.750 -2.897 1.00 0.00 H new ATOM 254 N ARG A 17 5.976 -9.216 -3.600 1.00 0.00 N ATOM 255 CA ARG A 17 5.428 -10.240 -4.482 1.00 0.00 C ATOM 256 C ARG A 17 3.906 -10.336 -4.369 1.00 0.00 C ATOM 257 O ARG A 17 3.204 -9.959 -5.307 1.00 0.00 O ATOM 258 CB ARG A 17 6.112 -11.585 -4.248 1.00 0.00 C ATOM 259 CG ARG A 17 7.633 -11.421 -4.222 1.00 0.00 C ATOM 260 CD ARG A 17 8.304 -12.741 -3.831 1.00 0.00 C ATOM 261 NE ARG A 17 7.530 -13.484 -2.826 1.00 0.00 N ATOM 262 CZ ARG A 17 7.031 -12.964 -1.696 1.00 0.00 C ATOM 263 NH1 ARG A 17 7.354 -11.740 -1.279 1.00 0.00 N ATOM 264 NH2 ARG A 17 6.155 -13.647 -0.960 1.00 0.00 N ATOM 0 H ARG A 17 6.550 -9.573 -2.836 1.00 0.00 H new ATOM 0 HA ARG A 17 5.640 -9.942 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.771 -12.013 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.830 -12.284 -5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.988 -11.101 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.909 -10.641 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.430 -13.359 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.301 -12.538 -3.441 1.00 0.00 H new ATOM 0 HE ARG A 17 7.359 -14.474 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.999 -11.169 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.956 -11.374 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.857 -14.577 -1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.783 -13.240 -0.102 1.00 0.00 H new ATOM 278 N PRO A 18 3.375 -10.818 -3.237 1.00 0.00 N ATOM 279 CA PRO A 18 1.940 -10.901 -3.013 1.00 0.00 C ATOM 280 C PRO A 18 1.325 -9.516 -3.122 1.00 0.00 C ATOM 281 O PRO A 18 0.328 -9.301 -3.804 1.00 0.00 O ATOM 282 CB PRO A 18 1.774 -11.421 -1.590 1.00 0.00 C ATOM 283 CG PRO A 18 3.071 -10.988 -0.911 1.00 0.00 C ATOM 284 CD PRO A 18 4.102 -11.143 -2.025 1.00 0.00 C ATOM 0 HA PRO A 18 1.453 -11.548 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.900 -10.989 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.649 -12.504 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.016 -9.961 -0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.307 -11.615 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.949 -10.473 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.500 -12.157 -2.060 1.00 0.00 H new ATOM 292 N ALA A 19 1.965 -8.561 -2.457 1.00 0.00 N ATOM 293 CA ALA A 19 1.504 -7.199 -2.425 1.00 0.00 C ATOM 294 C ALA A 19 1.483 -6.537 -3.790 1.00 0.00 C ATOM 295 O ALA A 19 0.707 -5.608 -3.970 1.00 0.00 O ATOM 296 CB ALA A 19 2.381 -6.431 -1.480 1.00 0.00 C ATOM 0 H ALA A 19 2.821 -8.722 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 19 0.468 -7.200 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.050 -5.393 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.318 -6.872 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.413 -6.469 -1.829 1.00 0.00 H new ATOM 302 N ALA A 20 2.311 -6.970 -4.744 1.00 0.00 N ATOM 303 CA ALA A 20 2.213 -6.465 -6.102 1.00 0.00 C ATOM 304 C ALA A 20 0.815 -6.806 -6.598 1.00 0.00 C ATOM 305 O ALA A 20 0.113 -5.958 -7.140 1.00 0.00 O ATOM 306 CB ALA A 20 3.271 -7.124 -6.982 1.00 0.00 C ATOM 0 H ALA A 20 3.046 -7.661 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 20 2.382 -5.389 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.190 -6.739 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.262 -6.901 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.118 -8.203 -6.989 1.00 0.00 H new ATOM 312 N LEU A 21 0.396 -8.046 -6.340 1.00 0.00 N ATOM 313 CA LEU A 21 -0.934 -8.528 -6.640 1.00 0.00 C ATOM 314 C LEU A 21 -1.962 -7.697 -5.882 1.00 0.00 C ATOM 315 O LEU A 21 -2.942 -7.242 -6.465 1.00 0.00 O ATOM 316 CB LEU A 21 -1.022 -9.984 -6.197 1.00 0.00 C ATOM 317 CG LEU A 21 -2.071 -10.760 -6.991 1.00 0.00 C ATOM 318 CD1 LEU A 21 -3.452 -10.180 -6.713 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.769 -10.676 -8.484 1.00 0.00 C ATOM 0 H LEU A 21 0.993 -8.751 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.135 -8.446 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.049 -10.460 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.266 -10.026 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.047 -11.806 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.200 -10.734 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.672 -10.258 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.473 -9.132 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.523 -11.233 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.782 -9.633 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.785 -11.102 -8.681 1.00 0.00 H new ATOM 331 N PHE A 22 -1.739 -7.489 -4.583 1.00 0.00 N ATOM 332 CA PHE A 22 -2.683 -6.739 -3.763 1.00 0.00 C ATOM 333 C PHE A 22 -2.894 -5.347 -4.336 1.00 0.00 C ATOM 334 O PHE A 22 -4.008 -4.986 -4.705 1.00 0.00 O ATOM 335 CB PHE A 22 -2.174 -6.656 -2.329 1.00 0.00 C ATOM 336 CG PHE A 22 -1.905 -7.995 -1.686 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.438 -9.177 -2.229 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.074 -8.054 -0.560 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.149 -10.414 -1.628 1.00 0.00 C ATOM 340 CE2 PHE A 22 -0.803 -9.288 0.056 1.00 0.00 C ATOM 341 CZ PHE A 22 -1.351 -10.469 -0.475 1.00 0.00 C ATOM 0 H PHE A 22 -0.918 -7.828 -4.082 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.642 -7.258 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.256 -6.069 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.906 -6.118 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.068 -9.135 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.640 -7.148 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.542 -11.325 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.176 -9.329 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.158 -11.418 0.004 1.00 0.00 H new ATOM 351 N VAL A 23 -1.810 -4.581 -4.418 1.00 0.00 N ATOM 352 CA VAL A 23 -1.780 -3.244 -4.966 1.00 0.00 C ATOM 353 C VAL A 23 -2.377 -3.233 -6.367 1.00 0.00 C ATOM 354 O VAL A 23 -3.159 -2.340 -6.673 1.00 0.00 O ATOM 355 CB VAL A 23 -0.331 -2.748 -4.967 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.129 -1.549 -5.890 1.00 0.00 C ATOM 357 CG2 VAL A 23 0.055 -2.325 -3.554 1.00 0.00 C ATOM 0 H VAL A 23 -0.897 -4.894 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.383 -2.573 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 23 0.291 -3.568 -5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.914 -1.235 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.391 -1.828 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.766 -0.727 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.086 -1.971 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.605 -1.524 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.039 -3.177 -2.881 1.00 0.00 H new ATOM 367 N GLN A 24 -2.030 -4.192 -7.226 1.00 0.00 N ATOM 368 CA GLN A 24 -2.542 -4.193 -8.586 1.00 0.00 C ATOM 369 C GLN A 24 -4.045 -4.432 -8.615 1.00 0.00 C ATOM 370 O GLN A 24 -4.742 -3.780 -9.379 1.00 0.00 O ATOM 371 CB GLN A 24 -1.804 -5.197 -9.472 1.00 0.00 C ATOM 372 CG GLN A 24 -1.980 -6.612 -8.937 1.00 0.00 C ATOM 373 CD GLN A 24 -1.512 -7.659 -9.926 1.00 0.00 C ATOM 374 OE1 GLN A 24 -0.328 -7.964 -10.010 1.00 0.00 O ATOM 375 NE2 GLN A 24 -2.452 -8.245 -10.658 1.00 0.00 N ATOM 0 H GLN A 24 -1.404 -4.966 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.356 -3.201 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.183 -5.138 -10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.744 -4.946 -9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.423 -6.719 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.031 -6.781 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.427 -7.962 -10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.199 -8.978 -11.320 1.00 0.00 H new ATOM 384 N GLU A 25 -4.564 -5.340 -7.790 1.00 0.00 N ATOM 385 CA GLU A 25 -5.984 -5.621 -7.782 1.00 0.00 C ATOM 386 C GLU A 25 -6.713 -4.441 -7.188 1.00 0.00 C ATOM 387 O GLU A 25 -7.610 -3.907 -7.827 1.00 0.00 O ATOM 388 CB GLU A 25 -6.281 -6.896 -7.002 1.00 0.00 C ATOM 389 CG GLU A 25 -5.462 -8.048 -7.571 1.00 0.00 C ATOM 390 CD GLU A 25 -5.859 -8.349 -9.006 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.919 -8.988 -9.175 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.111 -7.926 -9.915 1.00 0.00 O ATOM 0 H GLU A 25 -4.019 -5.887 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.328 -5.779 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.042 -6.753 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.344 -7.130 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.402 -7.799 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.605 -8.937 -6.957 1.00 0.00 H new ATOM 399 N ALA A 26 -6.286 -4.016 -5.996 1.00 0.00 N ATOM 400 CA ALA A 26 -6.762 -2.810 -5.336 1.00 0.00 C ATOM 401 C ALA A 26 -6.836 -1.679 -6.357 1.00 0.00 C ATOM 402 O ALA A 26 -7.822 -0.956 -6.428 1.00 0.00 O ATOM 403 CB ALA A 26 -5.764 -2.432 -4.250 1.00 0.00 C ATOM 0 H ALA A 26 -5.582 -4.518 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.748 -2.980 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.103 -1.529 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.685 -3.246 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.788 -2.250 -4.700 1.00 0.00 H new ATOM 409 N ASN A 27 -5.772 -1.568 -7.150 1.00 0.00 N ATOM 410 CA ASN A 27 -5.599 -0.633 -8.242 1.00 0.00 C ATOM 411 C ASN A 27 -6.562 -0.854 -9.395 1.00 0.00 C ATOM 412 O ASN A 27 -6.988 0.109 -10.024 1.00 0.00 O ATOM 413 CB ASN A 27 -4.216 -0.872 -8.825 1.00 0.00 C ATOM 414 CG ASN A 27 -3.283 0.288 -8.519 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.543 1.426 -8.893 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.217 0.001 -7.782 1.00 0.00 N ATOM 0 H ASN A 27 -4.959 -2.172 -7.033 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.763 0.364 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.801 -1.794 -8.417 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.292 -1.007 -9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.574 0.743 -7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.040 -0.961 -7.494 1.00 0.00 H new ATOM 423 N ARG A 28 -6.842 -2.118 -9.723 1.00 0.00 N ATOM 424 CA ARG A 28 -7.732 -2.443 -10.838 1.00 0.00 C ATOM 425 C ARG A 28 -9.113 -1.950 -10.458 1.00 0.00 C ATOM 426 O ARG A 28 -9.827 -1.313 -11.232 1.00 0.00 O ATOM 427 CB ARG A 28 -7.740 -3.948 -11.080 1.00 0.00 C ATOM 428 CG ARG A 28 -6.372 -4.368 -11.611 1.00 0.00 C ATOM 429 CD ARG A 28 -6.278 -5.887 -11.726 1.00 0.00 C ATOM 430 NE ARG A 28 -7.263 -6.415 -12.671 1.00 0.00 N ATOM 431 CZ ARG A 28 -7.418 -7.723 -12.910 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.684 -8.617 -12.240 1.00 0.00 N ATOM 433 NH2 ARG A 28 -8.309 -8.129 -13.820 1.00 0.00 N ATOM 0 H ARG A 28 -6.466 -2.930 -9.233 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.399 -1.968 -11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.964 -4.478 -10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.519 -4.211 -11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.201 -3.914 -12.587 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.590 -4.000 -10.946 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.275 -6.167 -12.049 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.434 -6.338 -10.746 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.859 -5.755 -13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.006 -8.303 -11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.802 -9.614 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.867 -7.443 -14.329 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.431 -9.125 -14.006 1.00 0.00 H new ATOM 447 N PHE A 29 -9.450 -2.269 -9.214 1.00 0.00 N ATOM 448 CA PHE A 29 -10.580 -1.756 -8.501 1.00 0.00 C ATOM 449 C PHE A 29 -10.593 -0.248 -8.688 1.00 0.00 C ATOM 450 O PHE A 29 -9.672 0.449 -8.270 1.00 0.00 O ATOM 451 CB PHE A 29 -10.330 -2.128 -7.052 1.00 0.00 C ATOM 452 CG PHE A 29 -10.584 -3.589 -6.778 1.00 0.00 C ATOM 453 CD1 PHE A 29 -11.633 -4.246 -7.442 1.00 0.00 C ATOM 454 CD2 PHE A 29 -9.742 -4.307 -5.911 1.00 0.00 C ATOM 455 CE1 PHE A 29 -11.904 -5.593 -7.164 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.008 -5.657 -5.637 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.132 -6.276 -6.214 1.00 0.00 C ATOM 0 H PHE A 29 -8.904 -2.928 -8.659 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.538 -2.150 -8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.300 -1.887 -6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.971 -1.524 -6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.231 -3.713 -8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.892 -3.820 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.704 -6.103 -7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.353 -6.218 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.401 -7.281 -5.924 1.00 0.00 H new ATOM 467 N THR A 30 -11.647 0.259 -9.313 1.00 0.00 N ATOM 468 CA THR A 30 -11.766 1.670 -9.647 1.00 0.00 C ATOM 469 C THR A 30 -12.190 2.474 -8.414 1.00 0.00 C ATOM 470 O THR A 30 -13.181 3.198 -8.423 1.00 0.00 O ATOM 471 CB THR A 30 -12.749 1.763 -10.811 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.205 1.087 -11.926 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.032 3.207 -11.196 1.00 0.00 C ATOM 0 H THR A 30 -12.448 -0.301 -9.604 1.00 0.00 H new ATOM 0 HA THR A 30 -10.815 2.105 -9.955 1.00 0.00 H new ATOM 0 HB THR A 30 -13.688 1.306 -10.499 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.831 1.140 -12.678 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.736 3.230 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.460 3.734 -10.343 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.103 3.693 -11.493 1.00 0.00 H new ATOM 481 N SER A 31 -11.406 2.351 -7.350 1.00 0.00 N ATOM 482 CA SER A 31 -11.658 2.880 -6.042 1.00 0.00 C ATOM 483 C SER A 31 -10.410 3.494 -5.443 1.00 0.00 C ATOM 484 O SER A 31 -9.299 3.008 -5.652 1.00 0.00 O ATOM 485 CB SER A 31 -12.059 1.694 -5.163 1.00 0.00 C ATOM 486 OG SER A 31 -13.027 0.870 -5.798 1.00 0.00 O ATOM 0 H SER A 31 -10.523 1.843 -7.395 1.00 0.00 H new ATOM 0 HA SER A 31 -12.427 3.650 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.175 1.101 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.458 2.061 -4.217 1.00 0.00 H new ATOM 0 HG SER A 31 -12.919 -0.055 -5.494 1.00 0.00 H new ATOM 492 N ASP A 32 -10.607 4.538 -4.644 1.00 0.00 N ATOM 493 CA ASP A 32 -9.541 5.095 -3.843 1.00 0.00 C ATOM 494 C ASP A 32 -9.371 4.103 -2.705 1.00 0.00 C ATOM 495 O ASP A 32 -10.081 4.151 -1.704 1.00 0.00 O ATOM 496 CB ASP A 32 -9.961 6.472 -3.358 1.00 0.00 C ATOM 497 CG ASP A 32 -8.927 7.135 -2.459 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.758 6.690 -2.484 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.331 8.098 -1.773 1.00 0.00 O ATOM 0 H ASP A 32 -11.504 5.013 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.601 5.232 -4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.146 7.112 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.903 6.387 -2.816 1.00 0.00 H new ATOM 504 N VAL A 33 -8.543 3.104 -2.965 1.00 0.00 N ATOM 505 CA VAL A 33 -8.331 1.996 -2.058 1.00 0.00 C ATOM 506 C VAL A 33 -7.367 2.369 -0.946 1.00 0.00 C ATOM 507 O VAL A 33 -6.512 3.240 -1.096 1.00 0.00 O ATOM 508 CB VAL A 33 -7.865 0.771 -2.841 1.00 0.00 C ATOM 509 CG1 VAL A 33 -8.835 0.538 -3.995 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.458 1.008 -3.379 1.00 0.00 C ATOM 0 H VAL A 33 -7.995 3.042 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.275 1.748 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.845 -0.105 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.518 -0.334 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.837 0.368 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.845 1.413 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.129 0.131 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.462 1.877 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.776 1.186 -2.548 1.00 0.00 H new ATOM 520 N PHE A 34 -7.472 1.668 0.172 1.00 0.00 N ATOM 521 CA PHE A 34 -6.649 1.964 1.322 1.00 0.00 C ATOM 522 C PHE A 34 -6.237 0.711 2.067 1.00 0.00 C ATOM 523 O PHE A 34 -6.659 -0.398 1.754 1.00 0.00 O ATOM 524 CB PHE A 34 -7.393 2.890 2.285 1.00 0.00 C ATOM 525 CG PHE A 34 -7.721 4.256 1.735 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.715 5.230 1.646 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.019 4.544 1.282 1.00 0.00 C ATOM 528 CE1 PHE A 34 -7.005 6.502 1.126 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.311 5.815 0.758 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.308 6.798 0.697 1.00 0.00 C ATOM 0 H PHE A 34 -8.120 0.891 0.302 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.749 2.453 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.321 2.405 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.790 3.013 3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.713 5.001 1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.791 3.791 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.228 7.249 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.306 6.037 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.541 7.783 0.319 1.00 0.00 H new ATOM 540 N LEU A 35 -5.405 0.914 3.072 1.00 0.00 N ATOM 541 CA LEU A 35 -5.002 -0.103 4.008 1.00 0.00 C ATOM 542 C LEU A 35 -4.735 0.655 5.294 1.00 0.00 C ATOM 543 O LEU A 35 -4.001 1.641 5.273 1.00 0.00 O ATOM 544 CB LEU A 35 -3.806 -0.880 3.472 1.00 0.00 C ATOM 545 CG LEU A 35 -3.560 -2.084 4.371 1.00 0.00 C ATOM 546 CD1 LEU A 35 -2.856 -3.169 3.566 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.684 -1.648 5.538 1.00 0.00 C ATOM 0 H LEU A 35 -4.981 1.823 3.260 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.755 -0.873 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.995 -1.205 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.923 -0.242 3.446 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.503 -2.477 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.676 -4.035 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.483 -3.462 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.905 -2.787 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.498 -2.500 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.735 -1.268 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.190 -0.863 6.100 1.00 0.00 H new ATOM 559 N GLU A 36 -5.407 0.255 6.369 1.00 0.00 N ATOM 560 CA GLU A 36 -5.396 0.983 7.621 1.00 0.00 C ATOM 561 C GLU A 36 -4.855 0.123 8.751 1.00 0.00 C ATOM 562 O GLU A 36 -5.620 -0.673 9.294 1.00 0.00 O ATOM 563 CB GLU A 36 -6.834 1.374 7.970 1.00 0.00 C ATOM 564 CG GLU A 36 -7.672 1.644 6.724 1.00 0.00 C ATOM 565 CD GLU A 36 -9.116 1.932 7.093 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.883 0.952 7.184 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.426 3.127 7.280 1.00 0.00 O ATOM 0 H GLU A 36 -5.977 -0.591 6.390 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.759 1.860 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.296 0.576 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.825 2.263 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.256 2.491 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.628 0.783 6.058 1.00 0.00 H new ATOM 574 N LYS A 37 -3.592 0.292 9.141 1.00 0.00 N ATOM 575 CA LYS A 37 -3.009 -0.455 10.250 1.00 0.00 C ATOM 576 C LYS A 37 -3.754 -0.090 11.521 1.00 0.00 C ATOM 577 O LYS A 37 -3.521 0.979 12.083 1.00 0.00 O ATOM 578 CB LYS A 37 -1.523 -0.141 10.384 1.00 0.00 C ATOM 579 CG LYS A 37 -0.704 -0.973 9.409 1.00 0.00 C ATOM 580 CD LYS A 37 0.791 -0.678 9.529 1.00 0.00 C ATOM 581 CE LYS A 37 1.404 -1.303 10.786 1.00 0.00 C ATOM 582 NZ LYS A 37 0.965 -0.637 12.024 1.00 0.00 N ATOM 0 H LYS A 37 -2.948 0.948 8.698 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.103 -1.525 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.353 0.919 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.195 -0.341 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.882 -2.032 9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.034 -0.769 8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.307 -1.059 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.947 0.401 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.134 -2.358 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.491 -1.254 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.790 -0.451 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.499 0.262 11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.296 -1.252 12.530 1.00 0.00 H new ATOM 596 N ASP A 38 -4.697 -0.942 11.928 1.00 0.00 N ATOM 597 CA ASP A 38 -5.591 -0.668 13.041 1.00 0.00 C ATOM 598 C ASP A 38 -6.277 0.682 12.826 1.00 0.00 C ATOM 599 O ASP A 38 -6.562 1.392 13.786 1.00 0.00 O ATOM 600 CB ASP A 38 -4.807 -0.658 14.351 1.00 0.00 C ATOM 601 CG ASP A 38 -4.139 -1.996 14.625 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.830 -2.862 15.202 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.951 -2.125 14.254 1.00 0.00 O ATOM 0 H ASP A 38 -4.858 -1.847 11.487 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.349 -1.449 13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.049 0.125 14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.479 -0.413 15.174 1.00 0.00 H new ATOM 608 N GLY A 39 -6.515 1.064 11.566 1.00 0.00 N ATOM 609 CA GLY A 39 -7.091 2.369 11.302 1.00 0.00 C ATOM 610 C GLY A 39 -6.128 3.301 10.565 1.00 0.00 C ATOM 611 O GLY A 39 -6.572 4.234 9.899 1.00 0.00 O ATOM 0 H GLY A 39 -6.321 0.499 10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.998 2.248 10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.385 2.829 12.245 1.00 0.00 H new ATOM 615 N LYS A 40 -4.816 3.058 10.643 1.00 0.00 N ATOM 616 CA LYS A 40 -3.821 3.887 9.985 1.00 0.00 C ATOM 617 C LYS A 40 -3.889 3.646 8.483 1.00 0.00 C ATOM 618 O LYS A 40 -3.149 2.812 7.965 1.00 0.00 O ATOM 619 CB LYS A 40 -2.438 3.511 10.511 1.00 0.00 C ATOM 620 CG LYS A 40 -2.366 3.668 12.028 1.00 0.00 C ATOM 621 CD LYS A 40 -0.947 3.355 12.494 1.00 0.00 C ATOM 622 CE LYS A 40 0.035 4.291 11.793 1.00 0.00 C ATOM 623 NZ LYS A 40 1.419 4.028 12.220 1.00 0.00 N ATOM 0 H LYS A 40 -4.421 2.277 11.167 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.011 4.941 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.209 2.481 10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.683 4.141 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.641 4.683 12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.077 2.997 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.873 3.475 13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.700 2.317 12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.045 4.164 10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.226 5.326 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.064 4.679 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.499 4.173 13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.673 3.047 11.988 1.00 0.00 H new ATOM 637 N LYS A 41 -4.805 4.324 7.795 1.00 0.00 N ATOM 638 CA LYS A 41 -5.006 4.065 6.386 1.00 0.00 C ATOM 639 C LYS A 41 -4.176 4.921 5.443 1.00 0.00 C ATOM 640 O LYS A 41 -3.922 6.102 5.672 1.00 0.00 O ATOM 641 CB LYS A 41 -6.498 4.100 6.051 1.00 0.00 C ATOM 642 CG LYS A 41 -6.938 5.075 4.959 1.00 0.00 C ATOM 643 CD LYS A 41 -6.780 6.524 5.406 1.00 0.00 C ATOM 644 CE LYS A 41 -7.305 7.416 4.285 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.752 7.234 4.076 1.00 0.00 N ATOM 0 H LYS A 41 -5.408 5.045 8.190 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.624 3.060 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.803 3.097 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.045 4.342 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.348 4.905 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.979 4.885 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.334 6.702 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.734 6.748 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.100 8.460 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.773 7.190 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.916 6.797 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.135 6.618 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.227 8.158 4.113 1.00 0.00 H new ATOM 659 N VAL A 42 -3.819 4.280 4.337 1.00 0.00 N ATOM 660 CA VAL A 42 -3.101 4.849 3.209 1.00 0.00 C ATOM 661 C VAL A 42 -3.676 4.253 1.941 1.00 0.00 C ATOM 662 O VAL A 42 -4.355 3.231 2.014 1.00 0.00 O ATOM 663 CB VAL A 42 -1.620 4.504 3.303 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.980 5.236 4.478 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.510 2.991 3.481 1.00 0.00 C ATOM 0 H VAL A 42 -4.036 3.293 4.198 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.206 5.934 3.208 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.094 4.815 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.078 4.980 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.086 6.312 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.474 4.940 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.460 2.708 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.028 2.693 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.963 2.490 2.626 1.00 0.00 H new ATOM 675 N ASN A 43 -3.460 4.893 0.791 1.00 0.00 N ATOM 676 CA ASN A 43 -3.963 4.368 -0.460 1.00 0.00 C ATOM 677 C ASN A 43 -3.275 3.046 -0.762 1.00 0.00 C ATOM 678 O ASN A 43 -2.111 3.000 -1.150 1.00 0.00 O ATOM 679 CB ASN A 43 -3.789 5.378 -1.586 1.00 0.00 C ATOM 680 CG ASN A 43 -4.356 4.808 -2.874 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.722 3.975 -3.513 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.544 5.238 -3.275 1.00 0.00 N ATOM 0 H ASN A 43 -2.943 5.769 0.709 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.034 4.184 -0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.296 6.309 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.733 5.615 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.954 4.875 -4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.048 5.932 -2.723 1.00 0.00 H new ATOM 689 N ALA A 44 -4.052 1.986 -0.579 1.00 0.00 N ATOM 690 CA ALA A 44 -3.683 0.584 -0.702 1.00 0.00 C ATOM 691 C ALA A 44 -2.939 0.257 -1.986 1.00 0.00 C ATOM 692 O ALA A 44 -2.009 -0.545 -1.986 1.00 0.00 O ATOM 693 CB ALA A 44 -4.960 -0.251 -0.676 1.00 0.00 C ATOM 0 H ALA A 44 -5.033 2.094 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.013 0.359 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.706 -1.307 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.485 -0.084 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.602 0.041 -1.507 1.00 0.00 H new ATOM 699 N LYS A 45 -3.371 0.858 -3.090 1.00 0.00 N ATOM 700 CA LYS A 45 -2.780 0.580 -4.383 1.00 0.00 C ATOM 701 C LYS A 45 -1.533 1.434 -4.637 1.00 0.00 C ATOM 702 O LYS A 45 -0.856 1.254 -5.648 1.00 0.00 O ATOM 703 CB LYS A 45 -3.849 0.768 -5.456 1.00 0.00 C ATOM 704 CG LYS A 45 -4.397 2.186 -5.388 1.00 0.00 C ATOM 705 CD LYS A 45 -5.203 2.527 -6.637 1.00 0.00 C ATOM 706 CE LYS A 45 -6.561 1.824 -6.616 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.313 2.076 -7.857 1.00 0.00 N ATOM 0 H LYS A 45 -4.129 1.540 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.431 -0.452 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.426 0.578 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.655 0.049 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.027 2.293 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.574 2.892 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.348 3.606 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.648 2.229 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.416 0.751 -6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.140 2.172 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.207 1.546 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.516 3.093 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.748 1.768 -8.674 1.00 0.00 H new ATOM 721 N SER A 46 -1.251 2.390 -3.751 1.00 0.00 N ATOM 722 CA SER A 46 -0.083 3.239 -3.831 1.00 0.00 C ATOM 723 C SER A 46 1.015 2.803 -2.860 1.00 0.00 C ATOM 724 O SER A 46 0.798 2.009 -1.944 1.00 0.00 O ATOM 725 CB SER A 46 -0.494 4.676 -3.519 1.00 0.00 C ATOM 726 OG SER A 46 -1.441 5.118 -4.467 1.00 0.00 O ATOM 0 H SER A 46 -1.845 2.592 -2.947 1.00 0.00 H new ATOM 0 HA SER A 46 0.322 3.161 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.916 4.734 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.381 5.326 -3.535 1.00 0.00 H new ATOM 0 HG SER A 46 -2.296 4.666 -4.310 1.00 0.00 H new ATOM 732 N ILE A 47 2.190 3.403 -3.064 1.00 0.00 N ATOM 733 CA ILE A 47 3.414 3.258 -2.283 1.00 0.00 C ATOM 734 C ILE A 47 3.162 2.992 -0.802 1.00 0.00 C ATOM 735 O ILE A 47 3.529 1.943 -0.291 1.00 0.00 O ATOM 736 CB ILE A 47 4.270 4.525 -2.477 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.557 4.514 -1.638 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.478 5.796 -2.147 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.303 4.907 -0.179 1.00 0.00 C ATOM 0 H ILE A 47 2.317 4.052 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 47 3.943 2.377 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 47 4.548 4.525 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.002 3.519 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.280 5.202 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.113 6.669 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.609 5.864 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.148 5.760 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.243 4.884 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.884 5.912 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.601 4.204 0.270 1.00 0.00 H new ATOM 751 N MET A 48 2.548 3.948 -0.108 1.00 0.00 N ATOM 752 CA MET A 48 2.360 3.870 1.327 1.00 0.00 C ATOM 753 C MET A 48 1.308 2.843 1.710 1.00 0.00 C ATOM 754 O MET A 48 1.352 2.295 2.812 1.00 0.00 O ATOM 755 CB MET A 48 1.994 5.258 1.829 1.00 0.00 C ATOM 756 CG MET A 48 3.177 6.175 1.553 1.00 0.00 C ATOM 757 SD MET A 48 2.957 7.876 2.114 1.00 0.00 S ATOM 758 CE MET A 48 2.600 7.536 3.848 1.00 0.00 C ATOM 0 H MET A 48 2.169 4.796 -0.531 1.00 0.00 H new ATOM 0 HA MET A 48 3.285 3.535 1.797 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.100 5.624 1.324 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.770 5.233 2.895 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.062 5.759 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.371 6.182 0.481 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.780 8.434 4.439 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.558 7.235 3.953 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.246 6.733 4.202 1.00 0.00 H new ATOM 768 N GLY A 49 0.371 2.579 0.800 1.00 0.00 N ATOM 769 CA GLY A 49 -0.655 1.590 1.031 1.00 0.00 C ATOM 770 C GLY A 49 0.012 0.232 1.106 1.00 0.00 C ATOM 771 O GLY A 49 -0.162 -0.469 2.099 1.00 0.00 O ATOM 0 H GLY A 49 0.310 3.045 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.189 1.804 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.391 1.609 0.227 1.00 0.00 H new ATOM 775 N LEU A 50 0.792 -0.123 0.082 1.00 0.00 N ATOM 776 CA LEU A 50 1.542 -1.347 0.091 1.00 0.00 C ATOM 777 C LEU A 50 2.683 -1.237 1.082 1.00 0.00 C ATOM 778 O LEU A 50 2.613 -1.760 2.182 1.00 0.00 O ATOM 779 CB LEU A 50 2.160 -1.569 -1.283 1.00 0.00 C ATOM 780 CG LEU A 50 2.282 -3.051 -1.609 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.980 -3.154 -2.957 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.105 -3.768 -0.545 1.00 0.00 C ATOM 0 H LEU A 50 0.910 0.436 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 50 0.874 -2.166 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.550 -1.078 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.146 -1.106 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 50 1.297 -3.518 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.089 -4.203 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.387 -2.641 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.965 -2.692 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.181 -4.826 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.103 -3.333 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.620 -3.659 0.425 1.00 0.00 H new ATOM 794 N MET A 51 3.735 -0.536 0.670 1.00 0.00 N ATOM 795 CA MET A 51 5.014 -0.488 1.338 1.00 0.00 C ATOM 796 C MET A 51 4.936 -0.073 2.803 1.00 0.00 C ATOM 797 O MET A 51 5.678 -0.592 3.630 1.00 0.00 O ATOM 798 CB MET A 51 5.933 0.459 0.572 1.00 0.00 C ATOM 799 CG MET A 51 7.344 0.428 1.156 1.00 0.00 C ATOM 800 SD MET A 51 8.385 1.797 0.607 1.00 0.00 S ATOM 801 CE MET A 51 7.419 3.153 1.301 1.00 0.00 C ATOM 0 H MET A 51 3.710 0.035 -0.175 1.00 0.00 H new ATOM 0 HA MET A 51 5.410 -1.504 1.343 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.963 0.174 -0.480 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.537 1.474 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.278 0.446 2.244 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.821 -0.513 0.881 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.853 4.104 0.993 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.392 3.090 0.941 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.427 3.086 2.389 1.00 0.00 H new ATOM 811 N SER A 52 4.104 0.914 3.120 1.00 0.00 N ATOM 812 CA SER A 52 4.024 1.387 4.486 1.00 0.00 C ATOM 813 C SER A 52 3.113 0.499 5.331 1.00 0.00 C ATOM 814 O SER A 52 3.551 -0.220 6.228 1.00 0.00 O ATOM 815 CB SER A 52 3.553 2.843 4.478 1.00 0.00 C ATOM 816 OG SER A 52 4.342 3.603 3.580 1.00 0.00 O ATOM 0 H SER A 52 3.489 1.390 2.460 1.00 0.00 H new ATOM 0 HA SER A 52 5.011 1.337 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.504 2.893 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.624 3.262 5.482 1.00 0.00 H new ATOM 0 HG SER A 52 4.393 4.530 3.894 1.00 0.00 H new ATOM 822 N LEU A 53 1.818 0.572 5.043 1.00 0.00 N ATOM 823 CA LEU A 53 0.811 -0.103 5.831 1.00 0.00 C ATOM 824 C LEU A 53 0.796 -1.601 5.598 1.00 0.00 C ATOM 825 O LEU A 53 1.087 -2.385 6.501 1.00 0.00 O ATOM 826 CB LEU A 53 -0.544 0.474 5.486 1.00 0.00 C ATOM 827 CG LEU A 53 -0.764 1.756 6.284 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.498 1.534 7.768 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.175 2.848 5.782 1.00 0.00 C ATOM 0 H LEU A 53 1.444 1.102 4.256 1.00 0.00 H new ATOM 0 HA LEU A 53 1.049 0.056 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.602 0.682 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.328 -0.248 5.713 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.803 2.056 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.663 2.465 8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.174 0.768 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.533 1.210 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.012 3.760 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.208 2.523 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.024 3.043 4.728 1.00 0.00 H new ATOM 841 N ALA A 54 0.426 -1.986 4.379 1.00 0.00 N ATOM 842 CA ALA A 54 0.305 -3.360 3.936 1.00 0.00 C ATOM 843 C ALA A 54 1.562 -4.170 4.229 1.00 0.00 C ATOM 844 O ALA A 54 1.477 -5.340 4.583 1.00 0.00 O ATOM 845 CB ALA A 54 0.036 -3.329 2.437 1.00 0.00 C ATOM 0 H ALA A 54 0.194 -1.315 3.647 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.508 -3.846 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.062 -4.348 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.887 -2.782 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.864 -2.834 1.929 1.00 0.00 H new ATOM 851 N VAL A 55 2.726 -3.542 4.102 1.00 0.00 N ATOM 852 CA VAL A 55 4.012 -4.189 4.310 1.00 0.00 C ATOM 853 C VAL A 55 4.271 -4.478 5.787 1.00 0.00 C ATOM 854 O VAL A 55 5.222 -5.169 6.148 1.00 0.00 O ATOM 855 CB VAL A 55 5.134 -3.390 3.644 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.505 -4.004 3.916 1.00 0.00 C ATOM 857 CG2 VAL A 55 4.942 -3.413 2.133 1.00 0.00 C ATOM 0 H VAL A 55 2.801 -2.557 3.848 1.00 0.00 H new ATOM 0 HA VAL A 55 3.988 -5.164 3.823 1.00 0.00 H new ATOM 0 HB VAL A 55 5.092 -2.380 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.275 -3.407 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.689 -4.022 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.532 -5.022 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.740 -2.844 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.969 -4.443 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.979 -2.968 1.882 1.00 0.00 H new ATOM 867 N SER A 56 3.404 -3.993 6.669 1.00 0.00 N ATOM 868 CA SER A 56 3.527 -4.279 8.072 1.00 0.00 C ATOM 869 C SER A 56 3.002 -5.690 8.362 1.00 0.00 C ATOM 870 O SER A 56 1.978 -5.830 9.033 1.00 0.00 O ATOM 871 CB SER A 56 2.761 -3.196 8.828 1.00 0.00 C ATOM 872 OG SER A 56 3.365 -1.928 8.621 1.00 0.00 O ATOM 0 H SER A 56 2.611 -3.400 6.425 1.00 0.00 H new ATOM 0 HA SER A 56 4.567 -4.266 8.399 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.725 -3.172 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.745 -3.429 9.893 1.00 0.00 H new ATOM 0 HG SER A 56 3.249 -1.659 7.686 1.00 0.00 H new ATOM 878 N THR A 57 3.677 -6.729 7.845 1.00 0.00 N ATOM 879 CA THR A 57 3.382 -8.132 8.114 1.00 0.00 C ATOM 880 C THR A 57 3.029 -8.326 9.589 1.00 0.00 C ATOM 881 O THR A 57 3.805 -7.967 10.471 1.00 0.00 O ATOM 882 CB THR A 57 4.614 -8.982 7.784 1.00 0.00 C ATOM 883 OG1 THR A 57 5.152 -8.649 6.520 1.00 0.00 O ATOM 884 CG2 THR A 57 4.251 -10.465 7.784 1.00 0.00 C ATOM 0 H THR A 57 4.466 -6.605 7.210 1.00 0.00 H new ATOM 0 HA THR A 57 2.537 -8.438 7.498 1.00 0.00 H new ATOM 0 HB THR A 57 5.361 -8.777 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.845 -9.298 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.136 -11.056 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.877 -10.748 8.768 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.480 -10.651 7.036 1.00 0.00 H new ATOM 892 N GLY A 58 1.844 -8.865 9.859 1.00 0.00 N ATOM 893 CA GLY A 58 1.393 -9.093 11.217 1.00 0.00 C ATOM 894 C GLY A 58 0.536 -7.950 11.752 1.00 0.00 C ATOM 895 O GLY A 58 0.035 -8.044 12.869 1.00 0.00 O ATOM 0 H GLY A 58 1.177 -9.153 9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.820 -10.020 11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.259 -9.227 11.865 1.00 0.00 H new ATOM 899 N THR A 59 0.328 -6.880 10.982 1.00 0.00 N ATOM 900 CA THR A 59 -0.548 -5.825 11.445 1.00 0.00 C ATOM 901 C THR A 59 -1.943 -6.134 10.938 1.00 0.00 C ATOM 902 O THR A 59 -2.111 -6.568 9.795 1.00 0.00 O ATOM 903 CB THR A 59 -0.107 -4.452 10.927 1.00 0.00 C ATOM 904 OG1 THR A 59 1.278 -4.266 11.116 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.857 -3.360 11.684 1.00 0.00 C ATOM 0 H THR A 59 0.744 -6.731 10.063 1.00 0.00 H new ATOM 0 HA THR A 59 -0.518 -5.785 12.534 1.00 0.00 H new ATOM 0 HB THR A 59 -0.330 -4.399 9.861 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.773 -4.879 10.533 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.544 -2.382 11.317 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.929 -3.480 11.529 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.634 -3.436 12.748 1.00 0.00 H new ATOM 913 N GLU A 60 -2.947 -5.944 11.785 1.00 0.00 N ATOM 914 CA GLU A 60 -4.306 -6.063 11.335 1.00 0.00 C ATOM 915 C GLU A 60 -4.651 -4.693 10.763 1.00 0.00 C ATOM 916 O GLU A 60 -4.747 -3.696 11.477 1.00 0.00 O ATOM 917 CB GLU A 60 -5.218 -6.530 12.467 1.00 0.00 C ATOM 918 CG GLU A 60 -5.202 -5.549 13.643 1.00 0.00 C ATOM 919 CD GLU A 60 -4.117 -5.872 14.659 1.00 0.00 C ATOM 920 OE1 GLU A 60 -2.992 -5.359 14.481 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.427 -6.667 15.572 1.00 0.00 O ATOM 0 H GLU A 60 -2.837 -5.710 12.772 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.444 -6.826 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.237 -6.636 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.900 -7.515 12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.052 -4.538 13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.173 -5.564 14.137 1.00 0.00 H new ATOM 928 N VAL A 61 -4.745 -4.627 9.445 1.00 0.00 N ATOM 929 CA VAL A 61 -4.992 -3.404 8.728 1.00 0.00 C ATOM 930 C VAL A 61 -6.243 -3.578 7.877 1.00 0.00 C ATOM 931 O VAL A 61 -6.521 -4.666 7.373 1.00 0.00 O ATOM 932 CB VAL A 61 -3.742 -3.064 7.918 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.540 -3.008 8.849 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.377 -4.179 6.956 1.00 0.00 C ATOM 0 H VAL A 61 -4.649 -5.442 8.839 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.183 -2.565 9.397 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.958 -2.129 7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.646 -2.766 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.703 -2.242 9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.409 -3.976 9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.483 -3.900 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.184 -5.094 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.201 -4.345 6.262 1.00 0.00 H new ATOM 944 N THR A 62 -7.041 -2.524 7.767 1.00 0.00 N ATOM 945 CA THR A 62 -8.274 -2.599 7.011 1.00 0.00 C ATOM 946 C THR A 62 -8.025 -2.194 5.564 1.00 0.00 C ATOM 947 O THR A 62 -7.551 -1.091 5.300 1.00 0.00 O ATOM 948 CB THR A 62 -9.343 -1.729 7.671 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.485 -2.052 9.037 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.692 -1.994 7.011 1.00 0.00 C ATOM 0 H THR A 62 -6.854 -1.615 8.190 1.00 0.00 H new ATOM 0 HA THR A 62 -8.639 -3.626 7.007 1.00 0.00 H new ATOM 0 HB THR A 62 -9.037 -0.689 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.600 -2.098 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.455 -1.374 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.631 -1.753 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.955 -3.045 7.130 1.00 0.00 H new ATOM 958 N LEU A 63 -8.314 -3.095 4.631 1.00 0.00 N ATOM 959 CA LEU A 63 -8.193 -2.820 3.216 1.00 0.00 C ATOM 960 C LEU A 63 -9.459 -2.105 2.779 1.00 0.00 C ATOM 961 O LEU A 63 -10.559 -2.650 2.864 1.00 0.00 O ATOM 962 CB LEU A 63 -7.994 -4.113 2.425 1.00 0.00 C ATOM 963 CG LEU A 63 -6.543 -4.598 2.473 1.00 0.00 C ATOM 964 CD1 LEU A 63 -5.633 -3.519 1.892 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.104 -4.921 3.899 1.00 0.00 C ATOM 0 H LEU A 63 -8.639 -4.038 4.843 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.321 -2.194 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.648 -4.887 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.288 -3.952 1.388 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.471 -5.513 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.598 -3.860 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.918 -3.320 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.732 -2.605 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.069 -5.262 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.188 -4.027 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.742 -5.705 4.307 1.00 0.00 H new ATOM 977 N ILE A 64 -9.290 -0.858 2.360 1.00 0.00 N ATOM 978 CA ILE A 64 -10.350 -0.005 1.878 1.00 0.00 C ATOM 979 C ILE A 64 -10.382 -0.016 0.356 1.00 0.00 C ATOM 980 O ILE A 64 -9.390 -0.301 -0.313 1.00 0.00 O ATOM 981 CB ILE A 64 -10.119 1.441 2.336 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.849 1.564 3.831 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.348 2.288 2.017 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.769 3.043 4.194 1.00 0.00 C ATOM 0 H ILE A 64 -8.377 -0.404 2.349 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.292 -0.380 2.278 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.236 1.789 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.642 1.078 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.917 1.061 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.178 3.314 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.529 2.276 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.215 1.880 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.576 3.146 5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.961 3.512 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.713 3.530 3.947 1.00 0.00 H new ATOM 996 N ALA A 65 -11.528 0.373 -0.172 1.00 0.00 N ATOM 997 CA ALA A 65 -11.815 0.594 -1.555 1.00 0.00 C ATOM 998 C ALA A 65 -12.899 1.637 -1.526 1.00 0.00 C ATOM 999 O ALA A 65 -14.004 1.407 -1.044 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.268 -0.692 -2.225 1.00 0.00 C ATOM 0 H ALA A 65 -12.342 0.554 0.415 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.950 0.920 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.481 -0.499 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.480 -1.441 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.169 -1.060 -1.734 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.547 2.835 -1.953 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.501 3.903 -1.978 1.00 0.00 C ATOM 1008 C GLN A 66 -13.646 4.332 -3.427 1.00 0.00 C ATOM 1009 O GLN A 66 -13.197 5.404 -3.835 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.989 4.974 -1.038 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.918 6.169 -1.077 1.00 0.00 C ATOM 1012 CD GLN A 66 -13.083 7.426 -1.125 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.903 8.094 -0.112 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.534 7.710 -2.299 1.00 0.00 N ATOM 0 H GLN A 66 -11.614 3.082 -2.282 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.499 3.635 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.927 4.582 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.982 5.274 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.569 6.114 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.563 6.176 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.721 7.116 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.924 8.522 -2.394 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.202 3.413 -4.210 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.378 3.535 -5.641 1.00 0.00 C ATOM 1025 C GLY A 67 -15.557 2.698 -6.111 1.00 0.00 C ATOM 1026 O GLY A 67 -16.359 2.222 -5.309 1.00 0.00 O ATOM 0 H GLY A 67 -14.555 2.529 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.540 4.580 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.471 3.214 -6.153 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.599 2.466 -7.419 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.566 1.627 -8.096 1.00 0.00 C ATOM 1032 C GLU A 68 -16.614 0.241 -7.460 1.00 0.00 C ATOM 1033 O GLU A 68 -17.683 -0.342 -7.317 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.143 1.497 -9.559 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.988 2.869 -10.219 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.282 3.667 -10.164 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.239 3.241 -10.844 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -17.284 4.686 -9.440 1.00 0.00 O ATOM 0 H GLU A 68 -14.924 2.881 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.556 2.076 -8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.200 0.954 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.884 0.911 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.195 3.426 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.683 2.741 -11.258 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.453 -0.298 -7.079 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.413 -1.591 -6.431 1.00 0.00 C ATOM 1047 C ASP A 69 -15.232 -1.369 -4.940 1.00 0.00 C ATOM 1048 O ASP A 69 -14.529 -2.142 -4.306 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.245 -2.418 -6.976 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.277 -2.564 -8.488 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.983 -3.483 -8.952 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.566 -1.770 -9.143 1.00 0.00 O ATOM 0 H ASP A 69 -14.543 0.143 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.339 -2.133 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.306 -1.949 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.264 -3.408 -6.520 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.807 -0.318 -4.356 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.555 0.007 -2.966 1.00 0.00 C ATOM 1059 C GLU A 70 -15.789 -1.162 -2.014 1.00 0.00 C ATOM 1060 O GLU A 70 -14.904 -1.498 -1.236 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.306 1.276 -2.576 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.769 1.089 -2.165 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.674 0.795 -3.351 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.750 -0.400 -3.713 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -19.285 1.763 -3.853 1.00 0.00 O ATOM 0 H GLU A 70 -16.449 0.318 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.490 0.213 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.775 1.750 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.271 1.968 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.840 0.272 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.119 1.989 -1.659 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.961 -1.795 -2.077 1.00 0.00 N ATOM 1073 CA GLN A 71 -17.236 -2.963 -1.257 1.00 0.00 C ATOM 1074 C GLN A 71 -16.693 -4.267 -1.870 1.00 0.00 C ATOM 1075 O GLN A 71 -16.851 -5.337 -1.286 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.729 -3.021 -0.936 1.00 0.00 C ATOM 1077 CG GLN A 71 -19.008 -4.080 0.131 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.067 -3.940 1.320 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.178 -3.007 2.110 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.114 -4.856 1.437 1.00 0.00 N ATOM 0 H GLN A 71 -17.729 -1.516 -2.687 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.693 -2.862 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.070 -2.046 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -19.293 -3.251 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -20.040 -3.992 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.900 -5.073 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.053 -5.617 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.443 -4.799 2.203 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.099 -4.204 -3.060 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.456 -5.335 -3.698 1.00 0.00 C ATOM 1091 C GLU A 72 -14.000 -5.435 -3.247 1.00 0.00 C ATOM 1092 O GLU A 72 -13.580 -6.315 -2.496 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.550 -5.145 -5.220 1.00 0.00 C ATOM 1094 CG GLU A 72 -14.584 -6.048 -5.996 1.00 0.00 C ATOM 1095 CD GLU A 72 -14.762 -7.529 -5.693 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -15.932 -7.957 -5.594 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -13.713 -8.198 -5.571 1.00 0.00 O ATOM 0 H GLU A 72 -16.054 -3.347 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.952 -6.264 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.570 -5.350 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.341 -4.103 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.725 -5.884 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.560 -5.758 -5.761 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.250 -4.477 -3.784 1.00 0.00 N ATOM 1105 CA ALA A 73 -11.828 -4.278 -3.713 1.00 0.00 C ATOM 1106 C ALA A 73 -11.276 -4.610 -2.345 1.00 0.00 C ATOM 1107 O ALA A 73 -10.471 -5.526 -2.181 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.626 -2.809 -4.059 1.00 0.00 C ATOM 0 H ALA A 73 -13.687 -3.743 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.293 -4.938 -4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.563 -2.571 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.012 -2.614 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.158 -2.189 -3.338 1.00 0.00 H new ATOM 1114 N LEU A 74 -11.763 -3.833 -1.384 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.430 -3.887 0.017 1.00 0.00 C ATOM 1116 C LEU A 74 -11.411 -5.315 0.565 1.00 0.00 C ATOM 1117 O LEU A 74 -10.455 -5.709 1.229 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.451 -2.995 0.731 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.769 -3.712 1.021 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.708 -2.837 1.837 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.454 -4.067 -0.279 1.00 0.00 C ATOM 0 H LEU A 74 -12.446 -3.103 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.415 -3.527 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.023 -2.640 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.649 -2.116 0.118 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.538 -4.612 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.636 -3.377 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.236 -2.583 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.926 -1.923 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.393 -4.578 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.655 -3.157 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.808 -4.722 -0.864 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.449 -6.101 0.267 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.603 -7.417 0.837 1.00 0.00 C ATOM 1135 C GLU A 75 -11.746 -8.438 0.120 1.00 0.00 C ATOM 1136 O GLU A 75 -11.098 -9.231 0.794 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.080 -7.808 0.904 1.00 0.00 C ATOM 1138 CG GLU A 75 -14.740 -7.862 -0.473 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.231 -8.132 -0.352 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -16.840 -7.540 0.567 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.730 -8.931 -1.172 1.00 0.00 O ATOM 0 H GLU A 75 -13.196 -5.833 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.239 -7.395 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.172 -8.782 1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.613 -7.092 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.579 -6.919 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.273 -8.642 -1.074 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.708 -8.439 -1.217 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.870 -9.444 -1.853 1.00 0.00 C ATOM 1150 C LYS A 76 -9.405 -9.201 -1.514 1.00 0.00 C ATOM 1151 O LYS A 76 -8.680 -10.116 -1.136 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.121 -9.566 -3.353 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.410 -8.567 -4.258 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.459 -9.217 -5.643 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.456 -8.605 -6.622 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.460 -9.340 -7.898 1.00 0.00 N ATOM 0 H LYS A 76 -12.210 -7.803 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.149 -10.416 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.832 -10.570 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.193 -9.475 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.911 -7.599 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.383 -8.396 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.259 -10.284 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.465 -9.117 -6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.705 -7.559 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.457 -8.626 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.542 -9.218 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.624 -10.351 -7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.216 -8.971 -8.509 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.989 -7.944 -1.628 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.665 -7.484 -1.274 1.00 0.00 C ATOM 1172 C LEU A 77 -7.324 -7.830 0.176 1.00 0.00 C ATOM 1173 O LEU A 77 -6.347 -8.541 0.420 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.648 -5.984 -1.519 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.829 -5.660 -2.760 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.433 -5.512 -2.210 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -6.785 -6.777 -3.801 1.00 0.00 C ATOM 0 H LEU A 77 -9.589 -7.199 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.904 -7.978 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.667 -5.617 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.227 -5.472 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.255 -4.796 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.745 -5.275 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.415 -4.709 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.128 -6.445 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.180 -6.459 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.346 -7.671 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.797 -6.999 -4.139 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.123 -7.352 1.139 1.00 0.00 N ATOM 1190 CA ALA A 78 -7.900 -7.657 2.546 1.00 0.00 C ATOM 1191 C ALA A 78 -7.898 -9.166 2.777 1.00 0.00 C ATOM 1192 O ALA A 78 -7.155 -9.674 3.614 1.00 0.00 O ATOM 1193 CB ALA A 78 -8.964 -6.985 3.413 1.00 0.00 C ATOM 0 H ALA A 78 -8.929 -6.752 0.962 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.923 -7.266 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.783 -7.223 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.919 -5.905 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.951 -7.347 3.124 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.734 -9.898 2.045 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.772 -11.341 2.130 1.00 0.00 C ATOM 1201 C ALA A 79 -7.417 -11.896 1.724 1.00 0.00 C ATOM 1202 O ALA A 79 -6.806 -12.651 2.474 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.841 -11.870 1.181 1.00 0.00 C ATOM 0 H ALA A 79 -9.399 -9.502 1.381 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.005 -11.648 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.874 -12.958 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.812 -11.461 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.603 -11.570 0.161 1.00 0.00 H new ATOM 1209 N TYR A 80 -6.929 -11.484 0.556 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.711 -12.009 -0.016 1.00 0.00 C ATOM 1211 C TYR A 80 -4.478 -11.741 0.849 1.00 0.00 C ATOM 1212 O TYR A 80 -3.651 -12.630 1.039 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.593 -11.422 -1.416 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.632 -12.149 -2.330 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -3.955 -13.300 -1.886 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -4.413 -11.672 -3.634 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.048 -13.958 -2.732 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -3.499 -12.328 -4.476 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.821 -13.472 -4.029 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.938 -14.103 -4.850 1.00 0.00 O ATOM 0 H TYR A 80 -7.378 -10.770 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.758 -13.097 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.580 -11.420 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.277 -10.382 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.134 -13.679 -0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.947 -10.802 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.526 -14.837 -2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.318 -11.950 -5.471 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.067 -13.792 -5.770 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.353 -10.532 1.394 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.187 -10.145 2.187 1.00 0.00 C ATOM 1232 C VAL A 81 -2.929 -11.049 3.397 1.00 0.00 C ATOM 1233 O VAL A 81 -1.772 -11.257 3.780 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.350 -8.694 2.632 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -3.670 -7.839 1.415 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -4.511 -8.598 3.614 1.00 0.00 C ATOM 0 H VAL A 81 -5.053 -9.796 1.299 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.312 -10.259 1.546 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.431 -8.348 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.789 -6.800 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.856 -7.914 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.595 -8.190 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.632 -7.563 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.427 -8.937 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.307 -9.225 4.482 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.006 -11.541 4.013 1.00 0.00 N ATOM 1247 CA GLN A 82 -3.968 -12.424 5.171 1.00 0.00 C ATOM 1248 C GLN A 82 -4.033 -13.894 4.741 1.00 0.00 C ATOM 1249 O GLN A 82 -3.317 -14.740 5.262 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.159 -12.063 6.061 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.464 -12.392 5.348 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.687 -12.057 6.175 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.968 -12.691 7.185 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.424 -11.054 5.732 1.00 0.00 N ATOM 0 H GLN A 82 -4.955 -11.327 3.707 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.033 -12.295 5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.100 -12.612 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.129 -11.002 6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.506 -11.844 4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.479 -13.453 5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.150 -10.555 4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.267 -10.779 6.236 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.905 -14.156 3.770 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.275 -15.397 3.124 1.00 0.00 C ATOM 1265 C GLU A 83 -4.357 -16.603 3.325 1.00 0.00 C ATOM 1266 O GLU A 83 -4.767 -17.580 3.945 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.441 -15.024 1.659 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.078 -16.132 0.827 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.134 -15.719 -0.635 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -6.757 -14.669 -0.901 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -5.545 -16.455 -1.454 1.00 0.00 O ATOM 0 H GLU A 83 -5.439 -13.386 3.368 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.182 -15.778 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.054 -14.126 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.465 -14.779 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.503 -17.052 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.083 -16.341 1.193 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.160 -16.585 2.741 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.301 -17.753 2.807 1.00 0.00 C ATOM 1280 C GLU A 84 -1.200 -17.598 3.852 1.00 0.00 C ATOM 1281 O GLU A 84 -1.484 -17.401 5.029 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.801 -18.144 1.407 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.078 -17.019 0.662 1.00 0.00 C ATOM 1284 CD GLU A 84 -2.001 -16.273 -0.294 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -2.828 -15.487 0.214 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -1.837 -16.484 -1.514 1.00 0.00 O ATOM 0 H GLU A 84 -2.774 -15.791 2.229 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.891 -18.599 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.127 -18.996 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.651 -18.473 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.662 -16.317 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.240 -17.436 0.103 1.00 0.00 H new ATOM 1293 N VAL A 85 0.066 -17.707 3.447 1.00 0.00 N ATOM 1294 CA VAL A 85 1.152 -17.605 4.418 1.00 0.00 C ATOM 1295 C VAL A 85 2.332 -16.776 3.909 1.00 0.00 C ATOM 1296 O VAL A 85 3.153 -16.256 4.727 1.00 0.00 O ATOM 1297 CB VAL A 85 1.624 -19.050 4.851 1.00 0.00 C ATOM 1298 CG1 VAL A 85 0.516 -20.017 5.353 1.00 0.00 C ATOM 1299 CG2 VAL A 85 2.368 -19.826 3.737 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.492 -16.607 2.661 1.00 0.00 O ATOM 0 H VAL A 85 0.358 -17.861 2.482 1.00 0.00 H new ATOM 0 HA VAL A 85 0.760 -17.075 5.286 1.00 0.00 H new ATOM 0 HB VAL A 85 2.281 -18.791 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.963 -20.975 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.028 -19.588 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.220 -20.168 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.660 -20.808 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.711 -19.946 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.258 -19.272 3.440 1.00 0.00 H new