USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 694 hydrogens (29 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 85 GLN :FLIP amide:sc= 0.638 F(o=-0.55,f=1.3) USER MOD Set 1.2: A 91 SER OG : rot -54:sc= 0.657 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 178:sc= 1.73 (180deg=1.76) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.955 K(o=0.77,f=-0.1) USER MOD Set 3.1: A 56 MET CE :methyl 148:sc= -2.2 (180deg=-3.77!) USER MOD Set 3.2: A 75 TYR OH : rot -130:sc=-0.00793 USER MOD Set 4.1: A 40 HIS : no HE2:sc= 1.15 K(o=2.4,f=-2.8!) USER MOD Set 4.2: A 43 SER OG : rot 90:sc= 1.27 USER MOD Set 5.1: A 17 HIS : no HE2:sc= -0.535 K(o=-0.49,f=-1.3) USER MOD Set 5.2: A 67 TYR OH : rot -150:sc= 0.0406 USER MOD Single : A 15 ASN : amide:sc= -1.44! C(o=-1.4!,f=-2.7!) USER MOD Single : A 21 TYR OH : rot 29:sc= 0.374 USER MOD Single : A 22 GLN : amide:sc= -0.726 K(o=-0.73,f=-3!) USER MOD Single : A 23 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.14) USER MOD Single : A 30 GLN : amide:sc= -0.833 X(o=-0.83,f=-1.3) USER MOD Single : A 33 ASN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.86! C(o=-1.9!,f=-7!) USER MOD Single : A 38 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.58) USER MOD Single : A 44 ASN : amide:sc= -0.152 K(o=-0.15,f=-16!) USER MOD Single : A 47 GLN : amide:sc= -0.138 K(o=-0.14,f=-4.6!) USER MOD Single : A 60 HIS : no HE2:sc= -1.58! K(o=-1.6!,f=-2.2) USER MOD Single : A 70 THR OG1 : rot -74:sc= 1.07 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.79) USER MOD Single : A 87 MET CE :methyl -171:sc= -0.486 (180deg=-0.738) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 8.191 -2.994 2.158 1.00 12.11 N ATOM 2 CA ASP A 14 6.890 -3.166 1.486 1.00 41.14 C ATOM 3 C ASP A 14 6.354 -1.812 1.005 1.00 43.00 C ATOM 4 O ASP A 14 5.259 -1.763 0.434 1.00 53.43 O ATOM 5 CB ASP A 14 5.889 -3.704 2.496 1.00 4.13 C ATOM 6 CG ASP A 14 5.642 -2.667 3.556 1.00 71.55 C ATOM 7 OD1 ASP A 14 6.642 -2.245 4.181 1.00 44.45 O ATOM 8 OD2 ASP A 14 4.495 -2.185 3.672 1.00 1.52 O ATOM 0 HA ASP A 14 7.021 -3.842 0.641 1.00 41.14 H new ATOM 0 HB2 ASP A 14 4.954 -3.960 1.997 1.00 4.13 H new ATOM 0 HB3 ASP A 14 6.269 -4.620 2.949 1.00 4.13 H new ATOM 13 N ASN A 15 7.120 -0.706 1.254 1.00 75.11 N ATOM 14 CA ASN A 15 6.688 0.668 0.881 1.00 12.42 C ATOM 15 C ASN A 15 6.163 0.706 -0.550 1.00 73.55 C ATOM 16 O ASN A 15 6.645 -0.009 -1.409 1.00 11.24 O ATOM 17 CB ASN A 15 7.832 1.694 1.083 1.00 23.52 C ATOM 18 CG ASN A 15 7.455 3.126 0.678 1.00 13.23 C ATOM 19 OD1 ASN A 15 6.303 3.531 0.766 1.00 21.32 O ATOM 20 ND2 ASN A 15 8.416 3.886 0.212 1.00 32.41 N ATOM 0 H ASN A 15 8.032 -0.744 1.708 1.00 75.11 H new ATOM 0 HA ASN A 15 5.872 0.950 1.546 1.00 12.42 H new ATOM 0 HB2 ASN A 15 8.132 1.689 2.131 1.00 23.52 H new ATOM 0 HB3 ASN A 15 8.699 1.378 0.502 1.00 23.52 H new ATOM 0 HD21 ASN A 15 8.212 4.839 -0.088 1.00 32.41 H new ATOM 0 HD22 ASN A 15 9.368 3.524 0.149 1.00 32.41 H new ATOM 27 N ARG A 16 5.207 1.555 -0.791 1.00 62.20 N ATOM 28 CA ARG A 16 4.471 1.557 -2.042 1.00 51.25 C ATOM 29 C ARG A 16 5.361 1.971 -3.223 1.00 14.11 C ATOM 30 O ARG A 16 5.166 1.519 -4.324 1.00 1.45 O ATOM 31 CB ARG A 16 3.221 2.448 -1.928 1.00 22.30 C ATOM 32 CG ARG A 16 2.454 2.282 -0.597 1.00 23.40 C ATOM 33 CD ARG A 16 2.116 0.817 -0.265 1.00 31.24 C ATOM 34 NE ARG A 16 1.561 0.692 1.105 1.00 61.50 N ATOM 35 CZ ARG A 16 2.092 -0.079 2.100 1.00 50.44 C ATOM 36 NH1 ARG A 16 3.120 -0.869 1.867 1.00 42.02 N ATOM 37 NH2 ARG A 16 1.566 -0.060 3.321 1.00 25.12 N ATOM 0 H ARG A 16 4.907 2.272 -0.130 1.00 62.20 H new ATOM 0 HA ARG A 16 4.141 0.538 -2.243 1.00 51.25 H new ATOM 0 HB2 ARG A 16 3.519 3.491 -2.037 1.00 22.30 H new ATOM 0 HB3 ARG A 16 2.548 2.221 -2.755 1.00 22.30 H new ATOM 0 HG2 ARG A 16 3.051 2.702 0.213 1.00 23.40 H new ATOM 0 HG3 ARG A 16 1.530 2.859 -0.644 1.00 23.40 H new ATOM 0 HD2 ARG A 16 1.396 0.434 -0.988 1.00 31.24 H new ATOM 0 HD3 ARG A 16 3.013 0.205 -0.354 1.00 31.24 H new ATOM 0 HE ARG A 16 0.717 1.223 1.321 1.00 61.50 H new ATOM 0 HH11 ARG A 16 3.530 -0.911 0.934 1.00 42.02 H new ATOM 0 HH12 ARG A 16 3.506 -1.439 2.620 1.00 42.02 H new ATOM 0 HH21 ARG A 16 0.760 0.533 3.520 1.00 25.12 H new ATOM 0 HH22 ARG A 16 1.968 -0.639 4.059 1.00 25.12 H new ATOM 51 N HIS A 17 6.349 2.817 -2.971 1.00 24.54 N ATOM 52 CA HIS A 17 7.290 3.209 -4.020 1.00 21.04 C ATOM 53 C HIS A 17 8.433 2.178 -4.054 1.00 74.02 C ATOM 54 O HIS A 17 9.116 1.994 -5.052 1.00 2.02 O ATOM 55 CB HIS A 17 7.814 4.636 -3.787 1.00 73.10 C ATOM 56 CG HIS A 17 8.439 5.269 -5.008 1.00 41.12 C ATOM 57 ND1 HIS A 17 8.989 6.534 -5.024 1.00 32.22 N ATOM 58 CD2 HIS A 17 8.557 4.800 -6.283 1.00 51.25 C ATOM 59 CE1 HIS A 17 9.404 6.786 -6.269 1.00 13.22 C ATOM 60 NE2 HIS A 17 9.163 5.767 -7.065 1.00 34.21 N ATOM 0 H HIS A 17 6.522 3.244 -2.061 1.00 24.54 H new ATOM 0 HA HIS A 17 6.788 3.220 -4.987 1.00 21.04 H new ATOM 0 HB2 HIS A 17 6.990 5.263 -3.447 1.00 73.10 H new ATOM 0 HB3 HIS A 17 8.551 4.615 -2.984 1.00 73.10 H new ATOM 0 HD1 HIS A 17 9.065 7.165 -4.227 1.00 32.22 H new ATOM 0 HD2 HIS A 17 8.230 3.830 -6.627 1.00 51.25 H new ATOM 0 HE1 HIS A 17 9.876 7.706 -6.581 1.00 13.22 H new ATOM 68 N ALA A 18 8.580 1.472 -2.939 1.00 35.00 N ATOM 69 CA ALA A 18 9.557 0.399 -2.801 1.00 24.45 C ATOM 70 C ALA A 18 9.105 -0.794 -3.617 1.00 50.20 C ATOM 71 O ALA A 18 9.838 -1.732 -3.805 1.00 13.00 O ATOM 72 CB ALA A 18 9.792 0.015 -1.352 1.00 14.43 C ATOM 0 H ALA A 18 8.021 1.629 -2.100 1.00 35.00 H new ATOM 0 HA ALA A 18 10.514 0.758 -3.179 1.00 24.45 H new ATOM 0 HB1 ALA A 18 10.528 -0.788 -1.303 1.00 14.43 H new ATOM 0 HB2 ALA A 18 10.162 0.880 -0.802 1.00 14.43 H new ATOM 0 HB3 ALA A 18 8.855 -0.323 -0.909 1.00 14.43 H new ATOM 78 N ALA A 19 7.830 -0.770 -4.035 1.00 2.33 N ATOM 79 CA ALA A 19 7.250 -1.772 -4.927 1.00 60.34 C ATOM 80 C ALA A 19 8.065 -1.894 -6.221 1.00 20.51 C ATOM 81 O ALA A 19 7.957 -2.887 -6.931 1.00 64.41 O ATOM 82 CB ALA A 19 5.798 -1.454 -5.236 1.00 12.30 C ATOM 0 H ALA A 19 7.170 -0.044 -3.757 1.00 2.33 H new ATOM 0 HA ALA A 19 7.283 -2.732 -4.413 1.00 60.34 H new ATOM 0 HB1 ALA A 19 5.392 -2.216 -5.902 1.00 12.30 H new ATOM 0 HB2 ALA A 19 5.224 -1.438 -4.310 1.00 12.30 H new ATOM 0 HB3 ALA A 19 5.734 -0.479 -5.719 1.00 12.30 H new ATOM 88 N ASP A 20 8.867 -0.862 -6.527 1.00 64.44 N ATOM 89 CA ASP A 20 9.825 -0.928 -7.649 1.00 1.20 C ATOM 90 C ASP A 20 10.733 -2.164 -7.429 1.00 61.12 C ATOM 91 O ASP A 20 10.981 -2.948 -8.339 1.00 44.14 O ATOM 92 CB ASP A 20 10.661 0.379 -7.710 1.00 15.20 C ATOM 93 CG ASP A 20 11.646 0.494 -8.886 1.00 70.25 C ATOM 94 OD1 ASP A 20 11.230 0.440 -10.066 1.00 63.20 O ATOM 95 OD2 ASP A 20 12.844 0.742 -8.649 1.00 32.14 O ATOM 0 H ASP A 20 8.874 0.023 -6.020 1.00 64.44 H new ATOM 0 HA ASP A 20 9.301 -1.026 -8.600 1.00 1.20 H new ATOM 0 HB2 ASP A 20 9.974 1.225 -7.753 1.00 15.20 H new ATOM 0 HB3 ASP A 20 11.223 0.471 -6.781 1.00 15.20 H new ATOM 100 N TYR A 21 11.089 -2.400 -6.151 1.00 22.55 N ATOM 101 CA TYR A 21 11.906 -3.541 -5.734 1.00 73.10 C ATOM 102 C TYR A 21 11.174 -4.876 -5.953 1.00 33.22 C ATOM 103 O TYR A 21 11.810 -5.915 -6.131 1.00 62.02 O ATOM 104 CB TYR A 21 12.425 -3.367 -4.254 1.00 41.03 C ATOM 105 CG TYR A 21 12.022 -4.441 -3.256 1.00 71.10 C ATOM 106 CD1 TYR A 21 12.588 -5.695 -3.306 1.00 45.43 C ATOM 107 CD2 TYR A 21 11.072 -4.193 -2.279 1.00 52.44 C ATOM 108 CE1 TYR A 21 12.229 -6.671 -2.439 1.00 0.13 C ATOM 109 CE2 TYR A 21 10.706 -5.175 -1.386 1.00 22.12 C ATOM 110 CZ TYR A 21 11.291 -6.422 -1.471 1.00 62.23 C ATOM 111 OH TYR A 21 10.921 -7.421 -0.593 1.00 1.43 O ATOM 0 H TYR A 21 10.812 -1.795 -5.378 1.00 22.55 H new ATOM 0 HA TYR A 21 12.788 -3.568 -6.373 1.00 73.10 H new ATOM 0 HB2 TYR A 21 13.514 -3.318 -4.279 1.00 41.03 H new ATOM 0 HB3 TYR A 21 12.071 -2.406 -3.881 1.00 41.03 H new ATOM 0 HD1 TYR A 21 13.337 -5.905 -4.055 1.00 45.43 H new ATOM 0 HD2 TYR A 21 10.613 -3.217 -2.217 1.00 52.44 H new ATOM 0 HE1 TYR A 21 12.683 -7.648 -2.510 1.00 0.13 H new ATOM 0 HE2 TYR A 21 9.967 -4.971 -0.625 1.00 22.12 H new ATOM 0 HH TYR A 21 11.671 -8.039 -0.466 1.00 1.43 H new ATOM 121 N GLN A 22 9.855 -4.854 -5.969 1.00 4.14 N ATOM 122 CA GLN A 22 9.083 -6.079 -6.197 1.00 4.32 C ATOM 123 C GLN A 22 9.435 -6.576 -7.611 1.00 11.54 C ATOM 124 O GLN A 22 9.727 -7.744 -7.825 1.00 34.44 O ATOM 125 CB GLN A 22 7.568 -5.788 -6.095 1.00 24.11 C ATOM 126 CG GLN A 22 6.633 -6.987 -5.820 1.00 61.24 C ATOM 127 CD GLN A 22 6.822 -8.180 -6.744 1.00 51.44 C ATOM 128 OE1 GLN A 22 7.567 -9.106 -6.432 1.00 35.04 O ATOM 129 NE2 GLN A 22 6.210 -8.138 -7.899 1.00 15.55 N ATOM 0 H GLN A 22 9.292 -4.015 -5.829 1.00 4.14 H new ATOM 0 HA GLN A 22 9.324 -6.833 -5.448 1.00 4.32 H new ATOM 0 HB2 GLN A 22 7.418 -5.055 -5.303 1.00 24.11 H new ATOM 0 HB3 GLN A 22 7.251 -5.320 -7.027 1.00 24.11 H new ATOM 0 HG2 GLN A 22 6.784 -7.316 -4.792 1.00 61.24 H new ATOM 0 HG3 GLN A 22 5.600 -6.647 -5.898 1.00 61.24 H new ATOM 0 HE21 GLN A 22 5.599 -7.353 -8.124 1.00 15.55 H new ATOM 0 HE22 GLN A 22 6.344 -8.890 -8.575 1.00 15.55 H new ATOM 138 N GLN A 23 9.505 -5.653 -8.542 1.00 43.12 N ATOM 139 CA GLN A 23 9.814 -6.009 -9.905 1.00 31.04 C ATOM 140 C GLN A 23 11.321 -6.247 -10.065 1.00 21.11 C ATOM 141 O GLN A 23 11.753 -6.893 -10.987 1.00 54.22 O ATOM 142 CB GLN A 23 9.287 -4.965 -10.887 1.00 63.41 C ATOM 143 CG GLN A 23 7.805 -4.633 -10.686 1.00 32.42 C ATOM 144 CD GLN A 23 6.857 -5.847 -10.720 1.00 44.34 C ATOM 145 OE1 GLN A 23 5.835 -5.852 -10.038 1.00 24.34 O ATOM 146 NE2 GLN A 23 7.152 -6.854 -11.514 1.00 41.23 N ATOM 0 H GLN A 23 9.353 -4.657 -8.381 1.00 43.12 H new ATOM 0 HA GLN A 23 9.305 -6.943 -10.143 1.00 31.04 H new ATOM 0 HB2 GLN A 23 9.873 -4.052 -10.784 1.00 63.41 H new ATOM 0 HB3 GLN A 23 9.436 -5.326 -11.904 1.00 63.41 H new ATOM 0 HG2 GLN A 23 7.688 -4.126 -9.728 1.00 32.42 H new ATOM 0 HG3 GLN A 23 7.498 -3.929 -11.459 1.00 32.42 H new ATOM 0 HE21 GLN A 23 8.005 -6.830 -12.072 1.00 41.23 H new ATOM 0 HE22 GLN A 23 6.527 -7.658 -11.571 1.00 41.23 H new ATOM 155 N LEU A 24 12.103 -5.702 -9.148 1.00 44.31 N ATOM 156 CA LEU A 24 13.556 -5.952 -9.074 1.00 42.21 C ATOM 157 C LEU A 24 13.743 -7.461 -8.898 1.00 25.20 C ATOM 158 O LEU A 24 14.511 -8.077 -9.629 1.00 72.33 O ATOM 159 CB LEU A 24 14.111 -5.159 -7.854 1.00 11.23 C ATOM 160 CG LEU A 24 15.623 -4.911 -7.695 1.00 41.33 C ATOM 161 CD1 LEU A 24 15.844 -3.961 -6.535 1.00 12.24 C ATOM 162 CD2 LEU A 24 16.380 -6.179 -7.424 1.00 5.23 C ATOM 0 H LEU A 24 11.759 -5.070 -8.426 1.00 44.31 H new ATOM 0 HA LEU A 24 14.089 -5.628 -9.968 1.00 42.21 H new ATOM 0 HB2 LEU A 24 13.625 -4.183 -7.859 1.00 11.23 H new ATOM 0 HB3 LEU A 24 13.776 -5.677 -6.956 1.00 11.23 H new ATOM 0 HG LEU A 24 15.991 -4.490 -8.631 1.00 41.33 H new ATOM 0 HD11 LEU A 24 16.912 -3.778 -6.413 1.00 12.24 H new ATOM 0 HD12 LEU A 24 15.335 -3.018 -6.735 1.00 12.24 H new ATOM 0 HD13 LEU A 24 15.445 -4.403 -5.622 1.00 12.24 H new ATOM 0 HD21 LEU A 24 17.441 -5.954 -7.319 1.00 5.23 H new ATOM 0 HD22 LEU A 24 16.013 -6.632 -6.503 1.00 5.23 H new ATOM 0 HD23 LEU A 24 16.236 -6.873 -8.252 1.00 5.23 H new ATOM 174 N ARG A 25 12.942 -8.042 -7.984 1.00 10.55 N ATOM 175 CA ARG A 25 12.959 -9.490 -7.673 1.00 4.11 C ATOM 176 C ARG A 25 12.809 -10.297 -8.950 1.00 43.23 C ATOM 177 O ARG A 25 13.551 -11.248 -9.192 1.00 64.24 O ATOM 178 CB ARG A 25 11.786 -9.852 -6.745 1.00 45.50 C ATOM 179 CG ARG A 25 11.708 -9.016 -5.489 1.00 4.11 C ATOM 180 CD ARG A 25 10.514 -9.368 -4.622 1.00 71.41 C ATOM 181 NE ARG A 25 10.611 -10.725 -4.075 1.00 2.13 N ATOM 182 CZ ARG A 25 11.063 -11.015 -2.845 1.00 14.11 C ATOM 183 NH1 ARG A 25 11.405 -10.034 -2.019 1.00 13.10 N ATOM 184 NH2 ARG A 25 11.132 -12.280 -2.445 1.00 33.52 N ATOM 0 H ARG A 25 12.259 -7.519 -7.436 1.00 10.55 H new ATOM 0 HA ARG A 25 13.907 -9.719 -7.186 1.00 4.11 H new ATOM 0 HB2 ARG A 25 10.853 -9.744 -7.298 1.00 45.50 H new ATOM 0 HB3 ARG A 25 11.870 -10.902 -6.464 1.00 45.50 H new ATOM 0 HG2 ARG A 25 12.623 -9.150 -4.911 1.00 4.11 H new ATOM 0 HG3 ARG A 25 11.655 -7.962 -5.762 1.00 4.11 H new ATOM 0 HD2 ARG A 25 10.437 -8.652 -3.804 1.00 71.41 H new ATOM 0 HD3 ARG A 25 9.601 -9.279 -5.210 1.00 71.41 H new ATOM 0 HE ARG A 25 10.315 -11.500 -4.669 1.00 2.13 H new ATOM 0 HH11 ARG A 25 11.324 -9.063 -2.320 1.00 13.10 H new ATOM 0 HH12 ARG A 25 11.749 -10.251 -1.084 1.00 13.10 H new ATOM 0 HH21 ARG A 25 10.842 -13.030 -3.073 1.00 33.52 H new ATOM 0 HH22 ARG A 25 11.475 -12.501 -1.510 1.00 33.52 H new ATOM 198 N GLU A 26 11.861 -9.866 -9.764 1.00 41.21 N ATOM 199 CA GLU A 26 11.516 -10.475 -11.015 1.00 12.15 C ATOM 200 C GLU A 26 12.742 -10.640 -11.916 1.00 44.30 C ATOM 201 O GLU A 26 13.010 -11.724 -12.391 1.00 31.54 O ATOM 202 CB GLU A 26 10.502 -9.579 -11.704 1.00 41.22 C ATOM 203 CG GLU A 26 10.034 -10.052 -13.046 1.00 74.25 C ATOM 204 CD GLU A 26 9.495 -8.910 -13.876 1.00 52.51 C ATOM 205 OE1 GLU A 26 8.539 -8.250 -13.456 1.00 54.21 O ATOM 206 OE2 GLU A 26 10.106 -8.585 -14.927 1.00 22.11 O ATOM 0 H GLU A 26 11.292 -9.046 -9.552 1.00 41.21 H new ATOM 0 HA GLU A 26 11.107 -11.468 -10.829 1.00 12.15 H new ATOM 0 HB2 GLU A 26 9.635 -9.472 -11.052 1.00 41.22 H new ATOM 0 HB3 GLU A 26 10.938 -8.587 -11.819 1.00 41.22 H new ATOM 0 HG2 GLU A 26 10.860 -10.529 -13.574 1.00 74.25 H new ATOM 0 HG3 GLU A 26 9.259 -10.808 -12.917 1.00 74.25 H new ATOM 213 N ARG A 27 13.505 -9.570 -12.098 1.00 75.31 N ATOM 214 CA ARG A 27 14.621 -9.606 -13.037 1.00 52.21 C ATOM 215 C ARG A 27 15.747 -10.497 -12.615 1.00 61.43 C ATOM 216 O ARG A 27 16.368 -11.136 -13.452 1.00 74.15 O ATOM 217 CB ARG A 27 15.091 -8.238 -13.485 1.00 62.11 C ATOM 218 CG ARG A 27 14.082 -7.579 -14.370 1.00 41.41 C ATOM 219 CD ARG A 27 13.134 -6.704 -13.590 1.00 45.04 C ATOM 220 NE ARG A 27 11.802 -6.641 -14.195 1.00 42.22 N ATOM 221 CZ ARG A 27 10.949 -5.628 -14.126 1.00 10.12 C ATOM 222 NH1 ARG A 27 11.328 -4.449 -13.621 1.00 24.42 N ATOM 223 NH2 ARG A 27 9.703 -5.812 -14.533 1.00 64.34 N ATOM 0 H ARG A 27 13.376 -8.680 -11.617 1.00 75.31 H new ATOM 0 HA ARG A 27 14.201 -10.076 -13.926 1.00 52.21 H new ATOM 0 HB2 ARG A 27 15.277 -7.611 -12.613 1.00 62.11 H new ATOM 0 HB3 ARG A 27 16.038 -8.333 -14.017 1.00 62.11 H new ATOM 0 HG2 ARG A 27 14.595 -6.978 -15.121 1.00 41.41 H new ATOM 0 HG3 ARG A 27 13.515 -8.341 -14.905 1.00 41.41 H new ATOM 0 HD2 ARG A 27 13.049 -7.083 -12.572 1.00 45.04 H new ATOM 0 HD3 ARG A 27 13.547 -5.697 -13.522 1.00 45.04 H new ATOM 0 HE ARG A 27 11.500 -7.459 -14.723 1.00 42.22 H new ATOM 0 HH11 ARG A 27 12.282 -4.322 -13.284 1.00 24.42 H new ATOM 0 HH12 ARG A 27 10.663 -3.677 -13.573 1.00 24.42 H new ATOM 0 HH21 ARG A 27 9.413 -6.721 -14.892 1.00 64.34 H new ATOM 0 HH22 ARG A 27 9.033 -5.044 -14.487 1.00 64.34 H new ATOM 237 N LEU A 28 15.994 -10.570 -11.327 1.00 44.12 N ATOM 238 CA LEU A 28 16.992 -11.534 -10.821 1.00 50.15 C ATOM 239 C LEU A 28 16.530 -12.920 -11.153 1.00 62.43 C ATOM 240 O LEU A 28 17.267 -13.717 -11.672 1.00 23.01 O ATOM 241 CB LEU A 28 17.242 -11.456 -9.296 1.00 54.12 C ATOM 242 CG LEU A 28 18.049 -10.275 -8.769 1.00 5.33 C ATOM 243 CD1 LEU A 28 17.294 -9.010 -8.923 1.00 53.44 C ATOM 244 CD2 LEU A 28 18.442 -10.491 -7.321 1.00 63.45 C ATOM 0 H LEU A 28 15.541 -9.998 -10.614 1.00 44.12 H new ATOM 0 HA LEU A 28 17.935 -11.279 -11.304 1.00 50.15 H new ATOM 0 HB2 LEU A 28 16.273 -11.449 -8.797 1.00 54.12 H new ATOM 0 HB3 LEU A 28 17.750 -12.371 -8.992 1.00 54.12 H new ATOM 0 HG LEU A 28 18.962 -10.201 -9.361 1.00 5.33 H new ATOM 0 HD11 LEU A 28 17.890 -8.182 -8.540 1.00 53.44 H new ATOM 0 HD12 LEU A 28 17.076 -8.843 -9.978 1.00 53.44 H new ATOM 0 HD13 LEU A 28 16.360 -9.073 -8.365 1.00 53.44 H new ATOM 0 HD21 LEU A 28 19.017 -9.635 -6.968 1.00 63.45 H new ATOM 0 HD22 LEU A 28 17.544 -10.601 -6.713 1.00 63.45 H new ATOM 0 HD23 LEU A 28 19.048 -11.393 -7.239 1.00 63.45 H new ATOM 256 N ILE A 29 15.270 -13.152 -10.897 1.00 12.54 N ATOM 257 CA ILE A 29 14.605 -14.424 -11.140 1.00 10.44 C ATOM 258 C ILE A 29 14.728 -14.907 -12.584 1.00 35.43 C ATOM 259 O ILE A 29 14.771 -16.108 -12.836 1.00 12.43 O ATOM 260 CB ILE A 29 13.120 -14.323 -10.686 1.00 64.43 C ATOM 261 CG1 ILE A 29 12.959 -14.920 -9.319 1.00 23.42 C ATOM 262 CG2 ILE A 29 12.096 -14.871 -11.679 1.00 51.03 C ATOM 263 CD1 ILE A 29 13.789 -14.258 -8.274 1.00 43.34 C ATOM 0 H ILE A 29 14.651 -12.445 -10.501 1.00 12.54 H new ATOM 0 HA ILE A 29 15.114 -15.183 -10.546 1.00 10.44 H new ATOM 0 HB ILE A 29 12.891 -13.258 -10.646 1.00 64.43 H new ATOM 0 HG12 ILE A 29 11.910 -14.862 -9.028 1.00 23.42 H new ATOM 0 HG13 ILE A 29 13.220 -15.978 -9.361 1.00 23.42 H new ATOM 0 HG21 ILE A 29 11.093 -14.754 -11.269 1.00 51.03 H new ATOM 0 HG22 ILE A 29 12.170 -14.323 -12.618 1.00 51.03 H new ATOM 0 HG23 ILE A 29 12.293 -15.928 -11.859 1.00 51.03 H new ATOM 0 HD11 ILE A 29 13.620 -14.744 -7.313 1.00 43.34 H new ATOM 0 HD12 ILE A 29 14.843 -14.339 -8.541 1.00 43.34 H new ATOM 0 HD13 ILE A 29 13.513 -13.206 -8.202 1.00 43.34 H new ATOM 275 N GLN A 30 14.816 -13.981 -13.499 1.00 1.43 N ATOM 276 CA GLN A 30 14.921 -14.308 -14.903 1.00 54.42 C ATOM 277 C GLN A 30 16.302 -14.879 -15.192 1.00 15.22 C ATOM 278 O GLN A 30 16.453 -15.812 -15.966 1.00 32.24 O ATOM 279 CB GLN A 30 14.695 -13.057 -15.738 1.00 43.41 C ATOM 280 CG GLN A 30 13.458 -12.279 -15.320 1.00 1.03 C ATOM 281 CD GLN A 30 13.231 -11.008 -16.118 1.00 31.42 C ATOM 282 OE1 GLN A 30 14.162 -10.386 -16.607 1.00 50.45 O ATOM 283 NE2 GLN A 30 11.996 -10.595 -16.211 1.00 34.21 N ATOM 0 H GLN A 30 14.817 -12.981 -13.298 1.00 1.43 H new ATOM 0 HA GLN A 30 14.165 -15.050 -15.159 1.00 54.42 H new ATOM 0 HB2 GLN A 30 15.569 -12.410 -15.657 1.00 43.41 H new ATOM 0 HB3 GLN A 30 14.603 -13.339 -16.787 1.00 43.41 H new ATOM 0 HG2 GLN A 30 12.584 -12.922 -15.424 1.00 1.03 H new ATOM 0 HG3 GLN A 30 13.542 -12.023 -14.264 1.00 1.03 H new ATOM 0 HE21 GLN A 30 11.243 -11.140 -15.791 1.00 34.21 H new ATOM 0 HE22 GLN A 30 11.784 -9.728 -16.704 1.00 34.21 H new ATOM 292 N GLU A 31 17.297 -14.326 -14.528 1.00 62.02 N ATOM 293 CA GLU A 31 18.674 -14.737 -14.720 1.00 14.34 C ATOM 294 C GLU A 31 19.006 -15.933 -13.828 1.00 0.23 C ATOM 295 O GLU A 31 19.836 -16.765 -14.169 1.00 72.51 O ATOM 296 CB GLU A 31 19.617 -13.564 -14.425 1.00 72.31 C ATOM 297 CG GLU A 31 19.190 -12.287 -15.127 1.00 43.14 C ATOM 298 CD GLU A 31 20.185 -11.164 -15.025 1.00 15.00 C ATOM 299 OE1 GLU A 31 20.181 -10.421 -14.039 1.00 12.52 O ATOM 300 OE2 GLU A 31 20.997 -10.974 -15.961 1.00 1.03 O ATOM 0 H GLU A 31 17.175 -13.581 -13.842 1.00 62.02 H new ATOM 0 HA GLU A 31 18.809 -15.041 -15.758 1.00 14.34 H new ATOM 0 HB2 GLU A 31 19.651 -13.390 -13.349 1.00 72.31 H new ATOM 0 HB3 GLU A 31 20.628 -13.827 -14.737 1.00 72.31 H new ATOM 0 HG2 GLU A 31 19.014 -12.506 -16.180 1.00 43.14 H new ATOM 0 HG3 GLU A 31 18.240 -11.955 -14.707 1.00 43.14 H new ATOM 307 N LEU A 32 18.339 -16.003 -12.685 1.00 2.14 N ATOM 308 CA LEU A 32 18.558 -17.056 -11.725 1.00 55.13 C ATOM 309 C LEU A 32 17.740 -18.302 -12.058 1.00 51.24 C ATOM 310 O LEU A 32 17.998 -19.373 -11.517 1.00 53.55 O ATOM 311 CB LEU A 32 18.206 -16.563 -10.308 1.00 62.42 C ATOM 312 CG LEU A 32 18.960 -15.321 -9.827 1.00 73.33 C ATOM 313 CD1 LEU A 32 18.596 -14.961 -8.399 1.00 40.44 C ATOM 314 CD2 LEU A 32 20.469 -15.447 -10.001 1.00 13.11 C ATOM 0 H LEU A 32 17.630 -15.325 -12.404 1.00 2.14 H new ATOM 0 HA LEU A 32 19.613 -17.326 -11.766 1.00 55.13 H new ATOM 0 HB2 LEU A 32 17.137 -16.352 -10.272 1.00 62.42 H new ATOM 0 HB3 LEU A 32 18.394 -17.374 -9.605 1.00 62.42 H new ATOM 0 HG LEU A 32 18.638 -14.500 -10.468 1.00 73.33 H new ATOM 0 HD11 LEU A 32 19.152 -14.074 -8.094 1.00 40.44 H new ATOM 0 HD12 LEU A 32 17.527 -14.758 -8.336 1.00 40.44 H new ATOM 0 HD13 LEU A 32 18.847 -15.791 -7.739 1.00 40.44 H new ATOM 0 HD21 LEU A 32 20.954 -14.538 -9.644 1.00 13.11 H new ATOM 0 HD22 LEU A 32 20.831 -16.301 -9.428 1.00 13.11 H new ATOM 0 HD23 LEU A 32 20.703 -15.592 -11.056 1.00 13.11 H new ATOM 326 N ASN A 33 16.760 -18.131 -12.955 1.00 45.14 N ATOM 327 CA ASN A 33 15.799 -19.183 -13.357 1.00 24.22 C ATOM 328 C ASN A 33 15.075 -19.715 -12.109 1.00 11.44 C ATOM 329 O ASN A 33 15.333 -20.823 -11.614 1.00 63.04 O ATOM 330 CB ASN A 33 16.473 -20.324 -14.165 1.00 63.21 C ATOM 331 CG ASN A 33 15.486 -21.360 -14.715 1.00 64.22 C ATOM 332 OD1 ASN A 33 14.982 -21.232 -15.823 1.00 13.25 O ATOM 333 ND2 ASN A 33 15.207 -22.384 -13.948 1.00 21.23 N ATOM 0 H ASN A 33 16.605 -17.244 -13.434 1.00 45.14 H new ATOM 0 HA ASN A 33 15.066 -18.739 -14.030 1.00 24.22 H new ATOM 0 HB2 ASN A 33 17.029 -19.889 -14.996 1.00 63.21 H new ATOM 0 HB3 ASN A 33 17.198 -20.830 -13.527 1.00 63.21 H new ATOM 0 HD21 ASN A 33 14.555 -23.100 -14.270 1.00 21.23 H new ATOM 0 HD22 ASN A 33 15.641 -22.466 -13.029 1.00 21.23 H new ATOM 340 N LEU A 34 14.227 -18.881 -11.571 1.00 75.53 N ATOM 341 CA LEU A 34 13.574 -19.126 -10.324 1.00 63.12 C ATOM 342 C LEU A 34 12.219 -18.405 -10.349 1.00 71.31 C ATOM 343 O LEU A 34 11.841 -17.867 -11.375 1.00 74.24 O ATOM 344 CB LEU A 34 14.492 -18.512 -9.269 1.00 35.20 C ATOM 345 CG LEU A 34 14.161 -18.678 -7.817 1.00 52.53 C ATOM 346 CD1 LEU A 34 14.261 -20.136 -7.421 1.00 52.45 C ATOM 347 CD2 LEU A 34 15.111 -17.821 -7.026 1.00 40.04 C ATOM 0 H LEU A 34 13.968 -17.993 -12.001 1.00 75.53 H new ATOM 0 HA LEU A 34 13.396 -20.183 -10.123 1.00 63.12 H new ATOM 0 HB2 LEU A 34 15.490 -18.922 -9.426 1.00 35.20 H new ATOM 0 HB3 LEU A 34 14.552 -17.442 -9.470 1.00 35.20 H new ATOM 0 HG LEU A 34 13.137 -18.363 -7.615 1.00 52.53 H new ATOM 0 HD11 LEU A 34 14.018 -20.243 -6.364 1.00 52.45 H new ATOM 0 HD12 LEU A 34 13.561 -20.723 -8.016 1.00 52.45 H new ATOM 0 HD13 LEU A 34 15.276 -20.492 -7.598 1.00 52.45 H new ATOM 0 HD21 LEU A 34 14.893 -17.922 -5.963 1.00 40.04 H new ATOM 0 HD22 LEU A 34 16.135 -18.140 -7.218 1.00 40.04 H new ATOM 0 HD23 LEU A 34 14.994 -16.779 -7.323 1.00 40.04 H new ATOM 359 N THR A 35 11.476 -18.440 -9.260 1.00 31.33 N ATOM 360 CA THR A 35 10.276 -17.659 -9.135 1.00 21.21 C ATOM 361 C THR A 35 10.508 -16.632 -8.008 1.00 64.52 C ATOM 362 O THR A 35 11.234 -16.931 -7.060 1.00 13.14 O ATOM 363 CB THR A 35 9.039 -18.550 -8.872 1.00 33.22 C ATOM 364 OG1 THR A 35 9.334 -19.500 -7.853 1.00 35.14 O ATOM 365 CG2 THR A 35 8.611 -19.279 -10.138 1.00 42.24 C ATOM 0 H THR A 35 11.692 -19.011 -8.443 1.00 31.33 H new ATOM 0 HA THR A 35 10.063 -17.139 -10.069 1.00 21.21 H new ATOM 0 HB THR A 35 8.220 -17.907 -8.549 1.00 33.22 H new ATOM 0 HG1 THR A 35 8.546 -20.060 -7.690 1.00 35.14 H new ATOM 0 HG21 THR A 35 7.740 -19.898 -9.924 1.00 42.24 H new ATOM 0 HG22 THR A 35 8.359 -18.551 -10.909 1.00 42.24 H new ATOM 0 HG23 THR A 35 9.428 -19.911 -10.488 1.00 42.24 H new ATOM 373 N PRO A 36 9.931 -15.401 -8.100 1.00 12.45 N ATOM 374 CA PRO A 36 10.256 -14.273 -7.173 1.00 42.32 C ATOM 375 C PRO A 36 10.062 -14.557 -5.681 1.00 1.44 C ATOM 376 O PRO A 36 10.645 -13.871 -4.833 1.00 53.45 O ATOM 377 CB PRO A 36 9.331 -13.145 -7.634 1.00 43.32 C ATOM 378 CG PRO A 36 8.980 -13.486 -9.041 1.00 34.03 C ATOM 379 CD PRO A 36 8.935 -14.987 -9.110 1.00 13.25 C ATOM 0 HA PRO A 36 11.320 -14.046 -7.233 1.00 42.32 H new ATOM 0 HB2 PRO A 36 8.440 -13.084 -7.009 1.00 43.32 H new ATOM 0 HB3 PRO A 36 9.829 -12.177 -7.575 1.00 43.32 H new ATOM 0 HG2 PRO A 36 8.018 -13.055 -9.318 1.00 34.03 H new ATOM 0 HG3 PRO A 36 9.720 -13.086 -9.735 1.00 34.03 H new ATOM 0 HD2 PRO A 36 7.942 -15.371 -8.877 1.00 13.25 H new ATOM 0 HD3 PRO A 36 9.193 -15.352 -10.104 1.00 13.25 H new ATOM 387 N GLN A 37 9.260 -15.540 -5.362 1.00 14.11 N ATOM 388 CA GLN A 37 9.008 -15.871 -3.975 1.00 54.51 C ATOM 389 C GLN A 37 9.854 -17.048 -3.502 1.00 31.11 C ATOM 390 O GLN A 37 9.726 -17.488 -2.377 1.00 63.55 O ATOM 391 CB GLN A 37 7.518 -16.113 -3.720 1.00 3.52 C ATOM 392 CG GLN A 37 6.618 -14.904 -4.023 1.00 73.15 C ATOM 393 CD GLN A 37 6.953 -13.642 -3.208 1.00 70.41 C ATOM 394 OE1 GLN A 37 8.093 -13.389 -2.838 1.00 2.14 O ATOM 395 NE2 GLN A 37 5.952 -12.852 -2.928 1.00 20.23 N ATOM 0 H GLN A 37 8.770 -16.126 -6.038 1.00 14.11 H new ATOM 0 HA GLN A 37 9.309 -15.007 -3.382 1.00 54.51 H new ATOM 0 HB2 GLN A 37 7.190 -16.956 -4.328 1.00 3.52 H new ATOM 0 HB3 GLN A 37 7.382 -16.400 -2.677 1.00 3.52 H new ATOM 0 HG2 GLN A 37 6.694 -14.667 -5.084 1.00 73.15 H new ATOM 0 HG3 GLN A 37 5.581 -15.181 -3.831 1.00 73.15 H new ATOM 0 HE21 GLN A 37 5.012 -13.086 -3.248 1.00 20.23 H new ATOM 0 HE22 GLN A 37 6.110 -12.001 -2.389 1.00 20.23 H new ATOM 404 N GLN A 38 10.717 -17.547 -4.370 1.00 41.34 N ATOM 405 CA GLN A 38 11.591 -18.656 -4.019 1.00 45.43 C ATOM 406 C GLN A 38 13.025 -18.189 -3.894 1.00 22.34 C ATOM 407 O GLN A 38 13.958 -18.982 -3.941 1.00 61.42 O ATOM 408 CB GLN A 38 11.475 -19.787 -5.044 1.00 11.04 C ATOM 409 CG GLN A 38 10.121 -20.487 -5.024 1.00 70.20 C ATOM 410 CD GLN A 38 9.831 -21.189 -3.704 1.00 2.32 C ATOM 411 OE1 GLN A 38 10.723 -21.662 -3.026 1.00 61.42 O ATOM 412 NE2 GLN A 38 8.577 -21.253 -3.335 1.00 61.32 N ATOM 0 H GLN A 38 10.832 -17.203 -5.323 1.00 41.34 H new ATOM 0 HA GLN A 38 11.274 -19.044 -3.051 1.00 45.43 H new ATOM 0 HB2 GLN A 38 11.652 -19.383 -6.041 1.00 11.04 H new ATOM 0 HB3 GLN A 38 12.258 -20.521 -4.854 1.00 11.04 H new ATOM 0 HG2 GLN A 38 9.337 -19.755 -5.219 1.00 70.20 H new ATOM 0 HG3 GLN A 38 10.084 -21.217 -5.833 1.00 70.20 H new ATOM 0 HE21 GLN A 38 7.850 -20.847 -3.925 1.00 61.32 H new ATOM 0 HE22 GLN A 38 8.326 -21.709 -2.458 1.00 61.32 H new ATOM 421 N LEU A 39 13.204 -16.896 -3.733 1.00 4.01 N ATOM 422 CA LEU A 39 14.525 -16.376 -3.542 1.00 44.31 C ATOM 423 C LEU A 39 14.703 -16.144 -2.068 1.00 42.24 C ATOM 424 O LEU A 39 13.726 -15.881 -1.357 1.00 51.11 O ATOM 425 CB LEU A 39 14.791 -15.076 -4.384 1.00 14.54 C ATOM 426 CG LEU A 39 14.211 -13.719 -3.900 1.00 21.14 C ATOM 427 CD1 LEU A 39 15.077 -13.097 -2.789 1.00 3.52 C ATOM 428 CD2 LEU A 39 14.094 -12.750 -5.065 1.00 43.41 C ATOM 0 H LEU A 39 12.458 -16.200 -3.731 1.00 4.01 H new ATOM 0 HA LEU A 39 15.261 -17.094 -3.904 1.00 44.31 H new ATOM 0 HB2 LEU A 39 15.871 -14.958 -4.469 1.00 14.54 H new ATOM 0 HB3 LEU A 39 14.409 -15.254 -5.389 1.00 14.54 H new ATOM 0 HG LEU A 39 13.220 -13.913 -3.489 1.00 21.14 H new ATOM 0 HD11 LEU A 39 14.640 -12.149 -2.475 1.00 3.52 H new ATOM 0 HD12 LEU A 39 15.119 -13.776 -1.938 1.00 3.52 H new ATOM 0 HD13 LEU A 39 16.085 -12.925 -3.167 1.00 3.52 H new ATOM 0 HD21 LEU A 39 13.686 -11.803 -4.711 1.00 43.41 H new ATOM 0 HD22 LEU A 39 15.080 -12.581 -5.498 1.00 43.41 H new ATOM 0 HD23 LEU A 39 13.432 -13.170 -5.822 1.00 43.41 H new ATOM 440 N HIS A 40 15.909 -16.233 -1.618 1.00 41.23 N ATOM 441 CA HIS A 40 16.208 -16.044 -0.231 1.00 73.02 C ATOM 442 C HIS A 40 16.247 -14.583 0.121 1.00 41.03 C ATOM 443 O HIS A 40 17.104 -13.845 -0.362 1.00 51.12 O ATOM 444 CB HIS A 40 17.520 -16.670 0.115 1.00 23.02 C ATOM 445 CG HIS A 40 17.537 -18.168 0.036 1.00 40.44 C ATOM 446 ND1 HIS A 40 17.296 -18.971 1.115 1.00 51.44 N ATOM 447 CD2 HIS A 40 17.783 -19.002 -1.005 1.00 5.53 C ATOM 448 CE1 HIS A 40 17.396 -20.238 0.727 1.00 35.54 C ATOM 449 NE2 HIS A 40 17.692 -20.319 -0.561 1.00 71.40 N ATOM 0 H HIS A 40 16.721 -16.439 -2.200 1.00 41.23 H new ATOM 0 HA HIS A 40 15.415 -16.524 0.343 1.00 73.02 H new ATOM 0 HB2 HIS A 40 18.284 -16.275 -0.555 1.00 23.02 H new ATOM 0 HB3 HIS A 40 17.796 -16.369 1.126 1.00 23.02 H new ATOM 0 HD1 HIS A 40 17.076 -18.652 2.059 1.00 51.44 H new ATOM 0 HD2 HIS A 40 18.012 -18.695 -2.015 1.00 5.53 H new ATOM 0 HE1 HIS A 40 17.255 -21.089 1.376 1.00 35.54 H new ATOM 457 N GLU A 41 15.311 -14.174 0.927 1.00 52.32 N ATOM 458 CA GLU A 41 15.216 -12.799 1.361 1.00 5.12 C ATOM 459 C GLU A 41 16.135 -12.599 2.572 1.00 33.34 C ATOM 460 O GLU A 41 16.692 -11.523 2.800 1.00 40.05 O ATOM 461 CB GLU A 41 13.754 -12.481 1.724 1.00 54.01 C ATOM 462 CG GLU A 41 13.477 -11.017 2.028 1.00 12.21 C ATOM 463 CD GLU A 41 13.712 -10.124 0.830 1.00 61.33 C ATOM 464 OE1 GLU A 41 14.880 -9.821 0.526 1.00 63.31 O ATOM 465 OE2 GLU A 41 12.716 -9.696 0.186 1.00 14.31 O ATOM 0 H GLU A 41 14.586 -14.783 1.307 1.00 52.32 H new ATOM 0 HA GLU A 41 15.529 -12.124 0.564 1.00 5.12 H new ATOM 0 HB2 GLU A 41 13.113 -12.794 0.900 1.00 54.01 H new ATOM 0 HB3 GLU A 41 13.472 -13.078 2.591 1.00 54.01 H new ATOM 0 HG2 GLU A 41 12.445 -10.907 2.363 1.00 12.21 H new ATOM 0 HG3 GLU A 41 14.115 -10.693 2.850 1.00 12.21 H new ATOM 472 N GLU A 42 16.278 -13.663 3.332 1.00 32.10 N ATOM 473 CA GLU A 42 17.074 -13.675 4.538 1.00 34.34 C ATOM 474 C GLU A 42 18.534 -14.034 4.234 1.00 33.22 C ATOM 475 O GLU A 42 19.439 -13.721 5.013 1.00 42.35 O ATOM 476 CB GLU A 42 16.450 -14.659 5.570 1.00 60.15 C ATOM 477 CG GLU A 42 16.584 -16.173 5.265 1.00 10.21 C ATOM 478 CD GLU A 42 16.187 -16.585 3.853 1.00 1.14 C ATOM 479 OE1 GLU A 42 15.148 -16.117 3.343 1.00 73.40 O ATOM 480 OE2 GLU A 42 16.941 -17.350 3.231 1.00 35.11 O ATOM 0 H GLU A 42 15.836 -14.559 3.125 1.00 32.10 H new ATOM 0 HA GLU A 42 17.074 -12.674 4.969 1.00 34.34 H new ATOM 0 HB2 GLU A 42 16.907 -14.467 6.541 1.00 60.15 H new ATOM 0 HB3 GLU A 42 15.390 -14.424 5.664 1.00 60.15 H new ATOM 0 HG2 GLU A 42 17.618 -16.472 5.437 1.00 10.21 H new ATOM 0 HG3 GLU A 42 15.969 -16.727 5.975 1.00 10.21 H new ATOM 487 N SER A 43 18.751 -14.683 3.112 1.00 43.12 N ATOM 488 CA SER A 43 20.074 -15.063 2.706 1.00 4.41 C ATOM 489 C SER A 43 20.649 -14.021 1.785 1.00 41.43 C ATOM 490 O SER A 43 19.944 -13.143 1.295 1.00 41.24 O ATOM 491 CB SER A 43 20.089 -16.416 2.038 1.00 4.54 C ATOM 492 OG SER A 43 19.575 -17.421 2.907 1.00 13.50 O ATOM 0 H SER A 43 18.015 -14.959 2.462 1.00 43.12 H new ATOM 0 HA SER A 43 20.690 -15.133 3.603 1.00 4.41 H new ATOM 0 HB2 SER A 43 19.495 -16.381 1.125 1.00 4.54 H new ATOM 0 HB3 SER A 43 21.108 -16.670 1.746 1.00 4.54 H new ATOM 0 HG SER A 43 18.606 -17.497 2.782 1.00 13.50 H new ATOM 498 N ASN A 44 21.910 -14.132 1.527 1.00 12.34 N ATOM 499 CA ASN A 44 22.602 -13.130 0.784 1.00 61.40 C ATOM 500 C ASN A 44 22.498 -13.409 -0.710 1.00 22.23 C ATOM 501 O ASN A 44 22.719 -14.520 -1.158 1.00 74.11 O ATOM 502 CB ASN A 44 24.064 -13.043 1.279 1.00 31.14 C ATOM 503 CG ASN A 44 24.902 -11.923 0.671 1.00 15.04 C ATOM 504 OD1 ASN A 44 24.717 -11.529 -0.449 1.00 73.20 O ATOM 505 ND2 ASN A 44 25.839 -11.410 1.432 1.00 22.33 N ATOM 0 H ASN A 44 22.489 -14.917 1.824 1.00 12.34 H new ATOM 0 HA ASN A 44 22.141 -12.156 0.948 1.00 61.40 H new ATOM 0 HB2 ASN A 44 24.055 -12.918 2.362 1.00 31.14 H new ATOM 0 HB3 ASN A 44 24.556 -13.993 1.072 1.00 31.14 H new ATOM 0 HD21 ASN A 44 26.431 -10.659 1.076 1.00 22.33 H new ATOM 0 HD22 ASN A 44 25.976 -11.762 2.379 1.00 22.33 H new ATOM 512 N LEU A 45 22.184 -12.376 -1.464 1.00 22.05 N ATOM 513 CA LEU A 45 22.017 -12.467 -2.914 1.00 21.14 C ATOM 514 C LEU A 45 23.325 -12.844 -3.631 1.00 73.40 C ATOM 515 O LEU A 45 23.297 -13.376 -4.731 1.00 3.23 O ATOM 516 CB LEU A 45 21.476 -11.150 -3.478 1.00 63.42 C ATOM 517 CG LEU A 45 20.125 -10.673 -2.933 1.00 15.01 C ATOM 518 CD1 LEU A 45 19.753 -9.340 -3.549 1.00 50.35 C ATOM 519 CD2 LEU A 45 19.030 -11.703 -3.196 1.00 13.52 C ATOM 0 H LEU A 45 22.035 -11.438 -1.092 1.00 22.05 H new ATOM 0 HA LEU A 45 21.297 -13.264 -3.099 1.00 21.14 H new ATOM 0 HB2 LEU A 45 22.214 -10.370 -3.289 1.00 63.42 H new ATOM 0 HB3 LEU A 45 21.390 -11.253 -4.560 1.00 63.42 H new ATOM 0 HG LEU A 45 20.219 -10.550 -1.854 1.00 15.01 H new ATOM 0 HD11 LEU A 45 18.792 -9.012 -3.154 1.00 50.35 H new ATOM 0 HD12 LEU A 45 20.516 -8.601 -3.306 1.00 50.35 H new ATOM 0 HD13 LEU A 45 19.683 -9.446 -4.632 1.00 50.35 H new ATOM 0 HD21 LEU A 45 18.083 -11.337 -2.798 1.00 13.52 H new ATOM 0 HD22 LEU A 45 18.934 -11.866 -4.269 1.00 13.52 H new ATOM 0 HD23 LEU A 45 19.290 -12.643 -2.708 1.00 13.52 H new ATOM 531 N ILE A 46 24.459 -12.592 -2.986 1.00 22.35 N ATOM 532 CA ILE A 46 25.774 -12.905 -3.569 1.00 34.23 C ATOM 533 C ILE A 46 26.060 -14.418 -3.399 1.00 62.52 C ATOM 534 O ILE A 46 27.030 -14.957 -3.910 1.00 55.12 O ATOM 535 CB ILE A 46 26.915 -12.050 -2.905 1.00 30.41 C ATOM 536 CG1 ILE A 46 26.537 -10.557 -2.839 1.00 12.14 C ATOM 537 CG2 ILE A 46 28.236 -12.201 -3.661 1.00 24.41 C ATOM 538 CD1 ILE A 46 26.285 -9.892 -4.175 1.00 32.13 C ATOM 0 H ILE A 46 24.502 -12.171 -2.058 1.00 22.35 H new ATOM 0 HA ILE A 46 25.755 -12.653 -4.629 1.00 34.23 H new ATOM 0 HB ILE A 46 27.039 -12.429 -1.891 1.00 30.41 H new ATOM 0 HG12 ILE A 46 25.642 -10.453 -2.226 1.00 12.14 H new ATOM 0 HG13 ILE A 46 27.337 -10.019 -2.330 1.00 12.14 H new ATOM 0 HG21 ILE A 46 29.004 -11.597 -3.176 1.00 24.41 H new ATOM 0 HG22 ILE A 46 28.540 -13.248 -3.656 1.00 24.41 H new ATOM 0 HG23 ILE A 46 28.107 -11.866 -4.690 1.00 24.41 H new ATOM 0 HD11 ILE A 46 26.027 -8.845 -4.017 1.00 32.13 H new ATOM 0 HD12 ILE A 46 27.184 -9.956 -4.788 1.00 32.13 H new ATOM 0 HD13 ILE A 46 25.463 -10.396 -4.683 1.00 32.13 H new ATOM 550 N GLN A 47 25.182 -15.088 -2.664 1.00 32.33 N ATOM 551 CA GLN A 47 25.250 -16.535 -2.504 1.00 53.03 C ATOM 552 C GLN A 47 24.575 -17.207 -3.696 1.00 2.23 C ATOM 553 O GLN A 47 24.609 -18.424 -3.858 1.00 10.14 O ATOM 554 CB GLN A 47 24.608 -16.962 -1.189 1.00 25.22 C ATOM 555 CG GLN A 47 25.392 -16.523 0.041 1.00 23.53 C ATOM 556 CD GLN A 47 24.637 -16.727 1.345 1.00 70.41 C ATOM 557 OE1 GLN A 47 23.422 -16.631 1.402 1.00 34.24 O ATOM 558 NE2 GLN A 47 25.352 -17.016 2.400 1.00 53.51 N ATOM 0 H GLN A 47 24.408 -14.648 -2.165 1.00 32.33 H new ATOM 0 HA GLN A 47 26.294 -16.847 -2.471 1.00 53.03 H new ATOM 0 HB2 GLN A 47 23.601 -16.549 -1.135 1.00 25.22 H new ATOM 0 HB3 GLN A 47 24.508 -18.047 -1.178 1.00 25.22 H new ATOM 0 HG2 GLN A 47 26.329 -17.078 0.082 1.00 23.53 H new ATOM 0 HG3 GLN A 47 25.650 -15.469 -0.059 1.00 23.53 H new ATOM 0 HE21 GLN A 47 26.366 -17.090 2.324 1.00 53.51 H new ATOM 0 HE22 GLN A 47 24.896 -17.168 3.300 1.00 53.51 H new ATOM 567 N ALA A 48 23.948 -16.386 -4.509 1.00 41.02 N ATOM 568 CA ALA A 48 23.334 -16.805 -5.735 1.00 74.44 C ATOM 569 C ALA A 48 24.164 -16.235 -6.877 1.00 60.30 C ATOM 570 O ALA A 48 25.168 -15.559 -6.632 1.00 44.24 O ATOM 571 CB ALA A 48 21.894 -16.306 -5.807 1.00 25.15 C ATOM 0 H ALA A 48 23.853 -15.387 -4.326 1.00 41.02 H new ATOM 0 HA ALA A 48 23.302 -17.893 -5.798 1.00 74.44 H new ATOM 0 HB1 ALA A 48 21.442 -16.633 -6.744 1.00 25.15 H new ATOM 0 HB2 ALA A 48 21.326 -16.711 -4.970 1.00 25.15 H new ATOM 0 HB3 ALA A 48 21.883 -15.217 -5.759 1.00 25.15 H new ATOM 577 N GLY A 49 23.769 -16.478 -8.111 1.00 34.21 N ATOM 578 CA GLY A 49 24.546 -15.961 -9.211 1.00 11.54 C ATOM 579 C GLY A 49 24.228 -14.509 -9.485 1.00 5.33 C ATOM 580 O GLY A 49 23.371 -14.195 -10.298 1.00 63.42 O ATOM 0 H GLY A 49 22.940 -17.014 -8.369 1.00 34.21 H new ATOM 0 HA2 GLY A 49 25.608 -16.065 -8.988 1.00 11.54 H new ATOM 0 HA3 GLY A 49 24.349 -16.552 -10.105 1.00 11.54 H new ATOM 584 N LEU A 50 24.919 -13.639 -8.811 1.00 61.04 N ATOM 585 CA LEU A 50 24.761 -12.244 -8.973 1.00 13.05 C ATOM 586 C LEU A 50 26.144 -11.610 -9.048 1.00 11.32 C ATOM 587 O LEU A 50 26.840 -11.508 -8.037 1.00 50.10 O ATOM 588 CB LEU A 50 24.001 -11.670 -7.776 1.00 62.23 C ATOM 589 CG LEU A 50 23.657 -10.200 -7.891 1.00 11.41 C ATOM 590 CD1 LEU A 50 22.389 -9.986 -8.694 1.00 52.11 C ATOM 591 CD2 LEU A 50 23.611 -9.501 -6.545 1.00 54.42 C ATOM 0 H LEU A 50 25.623 -13.897 -8.119 1.00 61.04 H new ATOM 0 HA LEU A 50 24.200 -12.034 -9.883 1.00 13.05 H new ATOM 0 HB2 LEU A 50 23.079 -12.236 -7.643 1.00 62.23 H new ATOM 0 HB3 LEU A 50 24.599 -11.820 -6.877 1.00 62.23 H new ATOM 0 HG LEU A 50 24.471 -9.730 -8.443 1.00 11.41 H new ATOM 0 HD11 LEU A 50 22.173 -8.919 -8.756 1.00 52.11 H new ATOM 0 HD12 LEU A 50 22.522 -10.388 -9.698 1.00 52.11 H new ATOM 0 HD13 LEU A 50 21.559 -10.497 -8.206 1.00 52.11 H new ATOM 0 HD21 LEU A 50 23.360 -8.450 -6.689 1.00 54.42 H new ATOM 0 HD22 LEU A 50 22.855 -9.972 -5.916 1.00 54.42 H new ATOM 0 HD23 LEU A 50 24.585 -9.578 -6.061 1.00 54.42 H new ATOM 603 N ASP A 51 26.559 -11.257 -10.236 1.00 44.11 N ATOM 604 CA ASP A 51 27.843 -10.604 -10.437 1.00 54.13 C ATOM 605 C ASP A 51 27.688 -9.089 -10.295 1.00 64.52 C ATOM 606 O ASP A 51 26.591 -8.590 -10.006 1.00 62.44 O ATOM 607 CB ASP A 51 28.442 -10.951 -11.806 1.00 21.30 C ATOM 608 CG ASP A 51 27.514 -10.630 -12.942 1.00 10.23 C ATOM 609 OD1 ASP A 51 27.216 -9.461 -13.174 1.00 62.50 O ATOM 610 OD2 ASP A 51 27.022 -11.558 -13.577 1.00 62.22 O ATOM 0 H ASP A 51 26.026 -11.409 -11.092 1.00 44.11 H new ATOM 0 HA ASP A 51 28.529 -10.969 -9.673 1.00 54.13 H new ATOM 0 HB2 ASP A 51 29.375 -10.404 -11.939 1.00 21.30 H new ATOM 0 HB3 ASP A 51 28.688 -12.013 -11.832 1.00 21.30 H new HETATM 615 N 4HJ A 52 28.739 -8.346 -10.565 1.00 35.35 N HETATM 616 CA 4HJ A 52 28.707 -6.907 -10.355 1.00 35.14 C HETATM 617 CAA 4HJ A 52 29.542 -9.796 -7.399 1.00 12.22 C HETATM 618 C 4HJ A 52 28.131 -6.187 -11.542 1.00 21.33 C HETATM 619 O 4HJ A 52 27.845 -4.999 -11.472 1.00 12.25 O HETATM 620 CB 4HJ A 52 30.061 -6.343 -9.939 1.00 74.51 C HETATM 621 OG 4HJ A 52 31.083 -6.705 -10.848 1.00 3.04 O HETATM 622 CZ1 4HJ A 52 29.537 -9.932 -6.054 1.00 42.14 C HETATM 623 CZ2 4HJ A 52 30.424 -8.945 -8.008 1.00 35.01 C HETATM 624 OZ 4HJ A 52 30.416 -9.361 -3.906 1.00 5.41 O HETATM 625 CJ 4HJ A 52 32.427 -3.823 -10.817 1.00 20.43 C HETATM 626 CK 4HJ A 52 33.190 -2.556 -10.296 1.00 70.42 C HETATM 627 CL1 4HJ A 52 33.697 -2.797 -8.875 1.00 54.23 C HETATM 628 CL2 4HJ A 52 32.176 -1.437 -10.217 1.00 61.01 C HETATM 629 CM 4HJ A 52 35.411 -3.274 -11.694 1.00 73.05 C HETATM 630 OM 4HJ A 52 34.993 -1.013 -10.926 1.00 44.34 O HETATM 631 NN 4HJ A 52 35.529 -4.385 -10.979 1.00 12.50 N HETATM 632 ON 4HJ A 52 36.147 -3.046 -12.650 1.00 24.25 O HETATM 633 P 4HJ A 52 32.577 -6.278 -10.485 1.00 14.04 P HETATM 634 O1P 4HJ A 52 33.378 -6.272 -11.730 1.00 4.21 O HETATM 635 O2P 4HJ A 52 33.121 -7.262 -9.536 1.00 73.44 O HETATM 636 O3P 4HJ A 52 32.581 -4.926 -9.904 1.00 41.13 O HETATM 637 CX 4HJ A 52 31.335 -8.327 -5.891 1.00 4.44 C HETATM 638 CL3 4HJ A 52 34.321 -2.187 -11.333 1.00 51.25 C HETATM 639 CO 4HJ A 52 36.417 -4.485 -9.789 1.00 15.11 C HETATM 640 CP 4HJ A 52 35.998 -5.553 -8.778 1.00 35.34 C HETATM 641 CQ 4HJ A 52 36.791 -5.460 -7.474 1.00 51.33 C HETATM 642 CS 4HJ A 52 35.353 -4.853 -5.565 1.00 53.14 C HETATM 643 CT 4HJ A 52 34.167 -5.550 -4.931 1.00 72.24 C HETATM 644 CV 4HJ A 52 32.298 -7.501 -5.138 1.00 62.52 C HETATM 645 CY1 4HJ A 52 30.430 -9.209 -5.265 1.00 71.33 C HETATM 646 CY2 4HJ A 52 31.317 -8.221 -7.272 1.00 20.43 C HETATM 647 NR 4HJ A 52 36.134 -5.796 -6.380 1.00 74.32 N HETATM 648 OR 4HJ A 52 37.961 -5.083 -7.455 1.00 53.25 O HETATM 649 OW 4HJ A 52 32.403 -7.512 -3.895 1.00 2.11 O HETATM 650 SU 4HJ A 52 33.286 -6.486 -6.156 1.00 51.40 S ATOM 680 N ILE A 53 27.949 -6.869 -12.621 1.00 53.25 N ATOM 681 CA ILE A 53 27.336 -6.241 -13.719 1.00 45.33 C ATOM 682 C ILE A 53 25.854 -6.216 -13.430 1.00 31.14 C ATOM 683 O ILE A 53 25.123 -5.295 -13.823 1.00 2.15 O ATOM 684 CB ILE A 53 27.704 -6.902 -15.075 1.00 54.25 C ATOM 685 CG1 ILE A 53 28.078 -5.825 -16.060 1.00 13.04 C ATOM 686 CG2 ILE A 53 26.598 -7.801 -15.660 1.00 3.11 C ATOM 687 CD1 ILE A 53 26.968 -4.818 -16.314 1.00 31.53 C ATOM 0 H ILE A 53 28.214 -7.845 -12.757 1.00 53.25 H new ATOM 0 HA ILE A 53 27.703 -5.222 -13.837 1.00 45.33 H new ATOM 0 HB ILE A 53 28.547 -7.566 -14.884 1.00 54.25 H new ATOM 0 HG12 ILE A 53 28.958 -5.298 -15.692 1.00 13.04 H new ATOM 0 HG13 ILE A 53 28.358 -6.290 -17.005 1.00 13.04 H new ATOM 0 HG21 ILE A 53 26.935 -8.223 -16.607 1.00 3.11 H new ATOM 0 HG22 ILE A 53 26.377 -8.608 -14.961 1.00 3.11 H new ATOM 0 HG23 ILE A 53 25.698 -7.209 -15.827 1.00 3.11 H new ATOM 0 HD11 ILE A 53 27.310 -4.073 -17.033 1.00 31.53 H new ATOM 0 HD12 ILE A 53 26.094 -5.333 -16.713 1.00 31.53 H new ATOM 0 HD13 ILE A 53 26.703 -4.325 -15.379 1.00 31.53 H new ATOM 699 N ARG A 54 25.429 -7.210 -12.688 1.00 25.14 N ATOM 700 CA ARG A 54 24.121 -7.215 -12.149 1.00 33.54 C ATOM 701 C ARG A 54 24.009 -6.089 -11.142 1.00 33.32 C ATOM 702 O ARG A 54 23.084 -5.298 -11.239 1.00 10.20 O ATOM 703 CB ARG A 54 23.742 -8.569 -11.556 1.00 3.52 C ATOM 704 CG ARG A 54 23.166 -9.565 -12.567 1.00 14.53 C ATOM 705 CD ARG A 54 24.115 -9.896 -13.713 1.00 72.34 C ATOM 706 NE ARG A 54 23.454 -10.755 -14.704 1.00 74.05 N ATOM 707 CZ ARG A 54 24.049 -11.580 -15.574 1.00 2.02 C ATOM 708 NH1 ARG A 54 25.336 -11.865 -15.479 1.00 32.33 N ATOM 709 NH2 ARG A 54 23.307 -12.172 -16.502 1.00 51.32 N ATOM 0 H ARG A 54 25.990 -8.028 -12.450 1.00 25.14 H new ATOM 0 HA ARG A 54 23.402 -7.047 -12.951 1.00 33.54 H new ATOM 0 HB2 ARG A 54 24.625 -9.009 -11.094 1.00 3.52 H new ATOM 0 HB3 ARG A 54 23.012 -8.412 -10.762 1.00 3.52 H new ATOM 0 HG2 ARG A 54 22.904 -10.486 -12.047 1.00 14.53 H new ATOM 0 HG3 ARG A 54 22.242 -9.158 -12.978 1.00 14.53 H new ATOM 0 HD2 ARG A 54 24.452 -8.976 -14.190 1.00 72.34 H new ATOM 0 HD3 ARG A 54 25.002 -10.397 -13.324 1.00 72.34 H new ATOM 0 HE ARG A 54 22.435 -10.719 -14.732 1.00 74.05 H new ATOM 0 HH11 ARG A 54 25.896 -11.454 -14.732 1.00 32.33 H new ATOM 0 HH12 ARG A 54 25.770 -12.496 -16.153 1.00 32.33 H new ATOM 0 HH21 ARG A 54 22.303 -11.994 -16.542 1.00 51.32 H new ATOM 0 HH22 ARG A 54 23.741 -12.804 -17.175 1.00 51.32 H new ATOM 723 N LEU A 55 24.999 -5.962 -10.225 1.00 42.13 N ATOM 724 CA LEU A 55 24.997 -4.835 -9.267 1.00 21.21 C ATOM 725 C LEU A 55 24.927 -3.480 -9.975 1.00 20.12 C ATOM 726 O LEU A 55 24.047 -2.684 -9.672 1.00 64.54 O ATOM 727 CB LEU A 55 26.179 -4.809 -8.251 1.00 14.11 C ATOM 728 CG LEU A 55 26.164 -5.759 -7.031 1.00 75.23 C ATOM 729 CD1 LEU A 55 24.809 -5.851 -6.370 1.00 2.13 C ATOM 730 CD2 LEU A 55 26.775 -7.115 -7.308 1.00 44.52 C ATOM 0 H LEU A 55 25.785 -6.605 -10.130 1.00 42.13 H new ATOM 0 HA LEU A 55 24.092 -5.013 -8.686 1.00 21.21 H new ATOM 0 HB2 LEU A 55 27.093 -5.012 -8.810 1.00 14.11 H new ATOM 0 HB3 LEU A 55 26.258 -3.791 -7.870 1.00 14.11 H new ATOM 0 HG LEU A 55 26.824 -5.291 -6.301 1.00 75.23 H new ATOM 0 HD11 LEU A 55 24.864 -6.533 -5.521 1.00 2.13 H new ATOM 0 HD12 LEU A 55 24.505 -4.863 -6.023 1.00 2.13 H new ATOM 0 HD13 LEU A 55 24.078 -6.224 -7.088 1.00 2.13 H new ATOM 0 HD21 LEU A 55 26.729 -7.726 -6.406 1.00 44.52 H new ATOM 0 HD22 LEU A 55 26.222 -7.607 -8.108 1.00 44.52 H new ATOM 0 HD23 LEU A 55 27.815 -6.991 -7.609 1.00 44.52 H new ATOM 742 N MET A 56 25.826 -3.222 -10.937 1.00 44.34 N ATOM 743 CA MET A 56 25.834 -1.915 -11.630 1.00 71.32 C ATOM 744 C MET A 56 24.549 -1.663 -12.408 1.00 63.22 C ATOM 745 O MET A 56 24.147 -0.504 -12.601 1.00 21.00 O ATOM 746 CB MET A 56 27.055 -1.708 -12.537 1.00 0.25 C ATOM 747 CG MET A 56 28.381 -1.281 -11.869 1.00 2.51 C ATOM 748 SD MET A 56 29.072 -2.436 -10.666 1.00 23.41 S ATOM 749 CE MET A 56 28.249 -1.986 -9.150 1.00 62.44 C ATOM 0 H MET A 56 26.541 -3.878 -11.250 1.00 44.34 H new ATOM 0 HA MET A 56 25.902 -1.178 -10.830 1.00 71.32 H new ATOM 0 HB2 MET A 56 27.235 -2.639 -13.075 1.00 0.25 H new ATOM 0 HB3 MET A 56 26.796 -0.955 -13.281 1.00 0.25 H new ATOM 0 HG2 MET A 56 29.122 -1.116 -12.651 1.00 2.51 H new ATOM 0 HG3 MET A 56 28.223 -0.323 -11.373 1.00 2.51 H new ATOM 0 HE1 MET A 56 28.120 -2.873 -8.529 1.00 62.44 H new ATOM 0 HE2 MET A 56 28.850 -1.252 -8.614 1.00 62.44 H new ATOM 0 HE3 MET A 56 27.273 -1.558 -9.379 1.00 62.44 H new ATOM 759 N ARG A 57 23.911 -2.737 -12.859 1.00 13.13 N ATOM 760 CA ARG A 57 22.634 -2.645 -13.520 1.00 72.11 C ATOM 761 C ARG A 57 21.593 -2.137 -12.553 1.00 62.51 C ATOM 762 O ARG A 57 20.810 -1.249 -12.876 1.00 21.12 O ATOM 763 CB ARG A 57 22.203 -3.969 -14.012 1.00 2.31 C ATOM 764 CG ARG A 57 21.084 -3.805 -14.981 1.00 72.13 C ATOM 765 CD ARG A 57 20.342 -5.041 -15.101 1.00 41.43 C ATOM 766 NE ARG A 57 21.108 -6.133 -15.738 1.00 74.11 N ATOM 767 CZ ARG A 57 20.923 -7.452 -15.494 1.00 31.23 C ATOM 768 NH1 ARG A 57 20.152 -7.848 -14.488 1.00 41.31 N ATOM 769 NH2 ARG A 57 21.548 -8.365 -16.236 1.00 63.23 N ATOM 0 H ARG A 57 24.270 -3.688 -12.773 1.00 13.13 H new ATOM 0 HA ARG A 57 22.739 -1.960 -14.361 1.00 72.11 H new ATOM 0 HB2 ARG A 57 23.039 -4.480 -14.490 1.00 2.31 H new ATOM 0 HB3 ARG A 57 21.885 -4.592 -13.176 1.00 2.31 H new ATOM 0 HG2 ARG A 57 20.421 -3.005 -14.650 1.00 72.13 H new ATOM 0 HG3 ARG A 57 21.476 -3.512 -15.955 1.00 72.13 H new ATOM 0 HD2 ARG A 57 20.025 -5.362 -14.109 1.00 41.43 H new ATOM 0 HD3 ARG A 57 19.438 -4.857 -15.681 1.00 41.43 H new ATOM 0 HE ARG A 57 21.829 -5.874 -16.411 1.00 74.11 H new ATOM 0 HH11 ARG A 57 19.695 -7.157 -13.893 1.00 41.31 H new ATOM 0 HH12 ARG A 57 20.017 -8.843 -14.310 1.00 41.31 H new ATOM 0 HH21 ARG A 57 22.168 -8.071 -16.991 1.00 63.23 H new ATOM 0 HH22 ARG A 57 21.406 -9.358 -16.049 1.00 63.23 H new ATOM 783 N TRP A 58 21.625 -2.687 -11.355 1.00 64.40 N ATOM 784 CA TRP A 58 20.698 -2.318 -10.293 1.00 64.13 C ATOM 785 C TRP A 58 20.746 -0.871 -9.966 1.00 63.33 C ATOM 786 O TRP A 58 19.699 -0.214 -9.952 1.00 10.34 O ATOM 787 CB TRP A 58 20.843 -3.231 -9.077 1.00 54.00 C ATOM 788 CG TRP A 58 20.512 -4.645 -9.438 1.00 32.03 C ATOM 789 CD1 TRP A 58 21.175 -5.757 -9.045 1.00 61.10 C ATOM 790 CD2 TRP A 58 19.451 -5.094 -10.322 1.00 65.52 C ATOM 791 NE1 TRP A 58 20.623 -6.868 -9.638 1.00 2.35 N ATOM 792 CE2 TRP A 58 19.565 -6.480 -10.419 1.00 35.13 C ATOM 793 CE3 TRP A 58 18.413 -4.455 -11.049 1.00 74.24 C ATOM 794 CZ2 TRP A 58 18.708 -7.234 -11.204 1.00 71.41 C ATOM 795 CZ3 TRP A 58 17.574 -5.216 -11.812 1.00 73.44 C ATOM 796 CH2 TRP A 58 17.728 -6.587 -11.885 1.00 40.10 C ATOM 0 H TRP A 58 22.296 -3.406 -11.086 1.00 64.40 H new ATOM 0 HA TRP A 58 19.690 -2.482 -10.673 1.00 64.13 H new ATOM 0 HB2 TRP A 58 21.862 -3.177 -8.694 1.00 54.00 H new ATOM 0 HB3 TRP A 58 20.184 -2.890 -8.279 1.00 54.00 H new ATOM 0 HD1 TRP A 58 22.014 -5.770 -8.365 1.00 61.10 H new ATOM 0 HE1 TRP A 58 20.948 -7.827 -9.516 1.00 2.35 H new ATOM 0 HE3 TRP A 58 18.288 -3.383 -11.000 1.00 74.24 H new ATOM 0 HZ2 TRP A 58 18.817 -8.306 -11.272 1.00 71.41 H new ATOM 0 HZ3 TRP A 58 16.779 -4.739 -12.366 1.00 73.44 H new ATOM 0 HH2 TRP A 58 17.050 -7.160 -12.501 1.00 40.10 H new ATOM 807 N LEU A 59 21.943 -0.351 -9.810 1.00 60.13 N ATOM 808 CA LEU A 59 22.168 1.060 -9.470 1.00 41.24 C ATOM 809 C LEU A 59 21.380 2.006 -10.302 1.00 3.11 C ATOM 810 O LEU A 59 20.659 2.851 -9.779 1.00 12.14 O ATOM 811 CB LEU A 59 23.640 1.439 -9.586 1.00 3.40 C ATOM 812 CG LEU A 59 24.483 1.230 -8.359 1.00 75.04 C ATOM 813 CD1 LEU A 59 23.999 2.143 -7.244 1.00 32.50 C ATOM 814 CD2 LEU A 59 24.441 -0.215 -7.941 1.00 42.24 C ATOM 0 H LEU A 59 22.803 -0.890 -9.914 1.00 60.13 H new ATOM 0 HA LEU A 59 21.832 1.150 -8.437 1.00 41.24 H new ATOM 0 HB2 LEU A 59 24.077 0.865 -10.403 1.00 3.40 H new ATOM 0 HB3 LEU A 59 23.701 2.490 -9.867 1.00 3.40 H new ATOM 0 HG LEU A 59 25.520 1.482 -8.582 1.00 75.04 H new ATOM 0 HD11 LEU A 59 24.612 1.989 -6.356 1.00 32.50 H new ATOM 0 HD12 LEU A 59 24.078 3.182 -7.564 1.00 32.50 H new ATOM 0 HD13 LEU A 59 22.959 1.913 -7.011 1.00 32.50 H new ATOM 0 HD21 LEU A 59 25.055 -0.354 -7.051 1.00 42.24 H new ATOM 0 HD22 LEU A 59 23.412 -0.500 -7.720 1.00 42.24 H new ATOM 0 HD23 LEU A 59 24.825 -0.839 -8.748 1.00 42.24 H new ATOM 826 N HIS A 60 21.494 1.857 -11.579 1.00 2.15 N ATOM 827 CA HIS A 60 20.892 2.783 -12.469 1.00 23.13 C ATOM 828 C HIS A 60 19.421 2.452 -12.729 1.00 62.32 C ATOM 829 O HIS A 60 18.642 3.315 -13.134 1.00 1.22 O ATOM 830 CB HIS A 60 21.743 2.924 -13.733 1.00 22.43 C ATOM 831 CG HIS A 60 21.748 1.750 -14.695 1.00 5.30 C ATOM 832 ND1 HIS A 60 22.751 0.804 -14.758 1.00 60.41 N ATOM 833 CD2 HIS A 60 20.880 1.431 -15.689 1.00 52.33 C ATOM 834 CE1 HIS A 60 22.470 -0.025 -15.768 1.00 62.30 C ATOM 835 NE2 HIS A 60 21.347 0.308 -16.363 1.00 14.34 N ATOM 0 H HIS A 60 22.003 1.096 -12.029 1.00 2.15 H new ATOM 0 HA HIS A 60 20.868 3.768 -12.002 1.00 23.13 H new ATOM 0 HB2 HIS A 60 21.400 3.805 -14.276 1.00 22.43 H new ATOM 0 HB3 HIS A 60 22.772 3.117 -13.429 1.00 22.43 H new ATOM 0 HD1 HIS A 60 23.563 0.748 -14.143 1.00 60.41 H new ATOM 0 HD2 HIS A 60 19.970 1.965 -15.920 1.00 52.33 H new ATOM 0 HE1 HIS A 60 23.088 -0.862 -16.058 1.00 62.30 H new ATOM 843 N TRP A 61 19.046 1.227 -12.421 1.00 73.25 N ATOM 844 CA TRP A 61 17.695 0.764 -12.616 1.00 0.22 C ATOM 845 C TRP A 61 16.722 1.430 -11.620 1.00 31.33 C ATOM 846 O TRP A 61 15.679 1.957 -12.006 1.00 0.11 O ATOM 847 CB TRP A 61 17.629 -0.761 -12.508 1.00 32.32 C ATOM 848 CG TRP A 61 16.244 -1.272 -12.735 1.00 61.44 C ATOM 849 CD1 TRP A 61 15.615 -1.430 -13.930 1.00 62.54 C ATOM 850 CD2 TRP A 61 15.311 -1.651 -11.736 1.00 42.31 C ATOM 851 NE1 TRP A 61 14.331 -1.874 -13.731 1.00 53.33 N ATOM 852 CE2 TRP A 61 14.124 -2.021 -12.382 1.00 5.40 C ATOM 853 CE3 TRP A 61 15.371 -1.709 -10.356 1.00 44.41 C ATOM 854 CZ2 TRP A 61 13.005 -2.438 -11.677 1.00 10.13 C ATOM 855 CZ3 TRP A 61 14.270 -2.123 -9.666 1.00 72.41 C ATOM 856 CH2 TRP A 61 13.102 -2.480 -10.329 1.00 45.54 C ATOM 0 H TRP A 61 19.674 0.526 -12.028 1.00 73.25 H new ATOM 0 HA TRP A 61 17.384 1.052 -13.620 1.00 0.22 H new ATOM 0 HB2 TRP A 61 18.305 -1.207 -13.237 1.00 32.32 H new ATOM 0 HB3 TRP A 61 17.974 -1.071 -11.522 1.00 32.32 H new ATOM 0 HD1 TRP A 61 16.060 -1.235 -14.894 1.00 62.54 H new ATOM 0 HE1 TRP A 61 13.646 -2.063 -14.463 1.00 53.33 H new ATOM 0 HE3 TRP A 61 16.274 -1.431 -9.833 1.00 44.41 H new ATOM 0 HZ2 TRP A 61 12.093 -2.718 -12.184 1.00 10.13 H new ATOM 0 HZ3 TRP A 61 14.306 -2.174 -8.588 1.00 72.41 H new ATOM 0 HH2 TRP A 61 12.248 -2.800 -9.751 1.00 45.54 H new ATOM 867 N PHE A 62 17.037 1.383 -10.347 1.00 21.54 N ATOM 868 CA PHE A 62 16.203 2.061 -9.346 1.00 50.14 C ATOM 869 C PHE A 62 16.464 3.548 -9.298 1.00 31.13 C ATOM 870 O PHE A 62 15.603 4.321 -8.883 1.00 2.11 O ATOM 871 CB PHE A 62 16.171 1.394 -7.942 1.00 23.21 C ATOM 872 CG PHE A 62 17.361 0.606 -7.580 1.00 44.31 C ATOM 873 CD1 PHE A 62 18.552 1.212 -7.226 1.00 35.22 C ATOM 874 CD2 PHE A 62 17.290 -0.763 -7.628 1.00 4.30 C ATOM 875 CE1 PHE A 62 19.652 0.435 -6.926 1.00 44.31 C ATOM 876 CE2 PHE A 62 18.368 -1.532 -7.351 1.00 23.10 C ATOM 877 CZ PHE A 62 19.547 -0.948 -6.999 1.00 71.50 C ATOM 0 H PHE A 62 17.849 0.894 -9.970 1.00 21.54 H new ATOM 0 HA PHE A 62 15.182 1.928 -9.705 1.00 50.14 H new ATOM 0 HB2 PHE A 62 16.033 2.174 -7.193 1.00 23.21 H new ATOM 0 HB3 PHE A 62 15.298 0.744 -7.889 1.00 23.21 H new ATOM 0 HD1 PHE A 62 18.621 2.289 -7.184 1.00 35.22 H new ATOM 0 HD2 PHE A 62 16.356 -1.236 -7.892 1.00 4.30 H new ATOM 0 HE1 PHE A 62 20.585 0.897 -6.638 1.00 44.31 H new ATOM 0 HE2 PHE A 62 18.294 -2.608 -7.409 1.00 23.10 H new ATOM 0 HZ PHE A 62 20.405 -1.564 -6.775 1.00 71.50 H new ATOM 887 N ARG A 63 17.656 3.943 -9.748 1.00 25.52 N ATOM 888 CA ARG A 63 18.111 5.349 -9.777 1.00 22.04 C ATOM 889 C ARG A 63 17.061 6.270 -10.404 1.00 1.04 C ATOM 890 O ARG A 63 16.920 7.414 -9.989 1.00 11.02 O ATOM 891 CB ARG A 63 19.391 5.461 -10.594 1.00 15.12 C ATOM 892 CG ARG A 63 20.219 6.704 -10.332 1.00 63.31 C ATOM 893 CD ARG A 63 20.721 6.682 -8.906 1.00 54.34 C ATOM 894 NE ARG A 63 21.751 7.688 -8.628 1.00 33.04 N ATOM 895 CZ ARG A 63 22.751 7.490 -7.757 1.00 64.34 C ATOM 896 NH1 ARG A 63 22.835 6.326 -7.113 1.00 15.52 N ATOM 897 NH2 ARG A 63 23.663 8.443 -7.534 1.00 31.42 N ATOM 0 H ARG A 63 18.350 3.290 -10.111 1.00 25.52 H new ATOM 0 HA ARG A 63 18.281 5.656 -8.745 1.00 22.04 H new ATOM 0 HB2 ARG A 63 20.008 4.585 -10.395 1.00 15.12 H new ATOM 0 HB3 ARG A 63 19.131 5.434 -11.652 1.00 15.12 H new ATOM 0 HG2 ARG A 63 21.060 6.747 -11.024 1.00 63.31 H new ATOM 0 HG3 ARG A 63 19.618 7.597 -10.504 1.00 63.31 H new ATOM 0 HD2 ARG A 63 19.880 6.840 -8.231 1.00 54.34 H new ATOM 0 HD3 ARG A 63 21.123 5.693 -8.687 1.00 54.34 H new ATOM 0 HE ARG A 63 21.705 8.580 -9.120 1.00 33.04 H new ATOM 0 HH11 ARG A 63 22.143 5.597 -7.285 1.00 15.52 H new ATOM 0 HH12 ARG A 63 23.592 6.164 -6.448 1.00 15.52 H new ATOM 0 HH21 ARG A 63 23.602 9.333 -8.029 1.00 31.42 H new ATOM 0 HH22 ARG A 63 24.419 8.280 -6.869 1.00 31.42 H new ATOM 911 N LYS A 64 16.309 5.739 -11.373 1.00 62.00 N ATOM 912 CA LYS A 64 15.269 6.492 -12.076 1.00 3.10 C ATOM 913 C LYS A 64 14.136 7.010 -11.160 1.00 12.21 C ATOM 914 O LYS A 64 13.373 7.868 -11.555 1.00 42.23 O ATOM 915 CB LYS A 64 14.759 5.727 -13.337 1.00 43.33 C ATOM 916 CG LYS A 64 14.196 4.321 -13.107 1.00 72.53 C ATOM 917 CD LYS A 64 12.863 4.362 -12.407 1.00 23.24 C ATOM 918 CE LYS A 64 12.262 2.964 -12.133 1.00 22.11 C ATOM 919 NZ LYS A 64 13.035 2.163 -11.137 1.00 21.12 N ATOM 0 H LYS A 64 16.405 4.775 -11.691 1.00 62.00 H new ATOM 0 HA LYS A 64 15.744 7.404 -12.436 1.00 3.10 H new ATOM 0 HB2 LYS A 64 13.985 6.330 -13.811 1.00 43.33 H new ATOM 0 HB3 LYS A 64 15.583 5.652 -14.046 1.00 43.33 H new ATOM 0 HG2 LYS A 64 14.089 3.811 -14.064 1.00 72.53 H new ATOM 0 HG3 LYS A 64 14.901 3.739 -12.513 1.00 72.53 H new ATOM 0 HD2 LYS A 64 12.976 4.891 -11.461 1.00 23.24 H new ATOM 0 HD3 LYS A 64 12.162 4.937 -13.012 1.00 23.24 H new ATOM 0 HE2 LYS A 64 11.239 3.082 -11.776 1.00 22.11 H new ATOM 0 HE3 LYS A 64 12.211 2.410 -13.070 1.00 22.11 H new ATOM 0 HZ1 LYS A 64 12.557 1.253 -10.977 1.00 21.12 H new ATOM 0 HZ2 LYS A 64 13.995 1.991 -11.499 1.00 21.12 H new ATOM 0 HZ3 LYS A 64 13.092 2.686 -10.240 1.00 21.12 H new ATOM 933 N ASN A 65 14.056 6.489 -9.938 1.00 12.22 N ATOM 934 CA ASN A 65 13.044 6.947 -8.975 1.00 1.43 C ATOM 935 C ASN A 65 13.680 7.839 -7.916 1.00 11.44 C ATOM 936 O ASN A 65 13.091 8.098 -6.870 1.00 32.31 O ATOM 937 CB ASN A 65 12.330 5.777 -8.288 1.00 62.43 C ATOM 938 CG ASN A 65 11.451 4.946 -9.202 1.00 24.22 C ATOM 939 OD1 ASN A 65 10.930 5.422 -10.195 1.00 34.11 O ATOM 940 ND2 ASN A 65 11.273 3.690 -8.865 1.00 22.20 N ATOM 0 H ASN A 65 14.672 5.755 -9.588 1.00 12.22 H new ATOM 0 HA ASN A 65 12.303 7.513 -9.540 1.00 1.43 H new ATOM 0 HB2 ASN A 65 13.079 5.126 -7.837 1.00 62.43 H new ATOM 0 HB3 ASN A 65 11.718 6.169 -7.476 1.00 62.43 H new ATOM 0 HD21 ASN A 65 10.686 3.086 -9.440 1.00 22.20 H new ATOM 0 HD22 ASN A 65 11.722 3.318 -8.028 1.00 22.20 H new ATOM 947 N GLY A 66 14.893 8.296 -8.187 1.00 41.11 N ATOM 948 CA GLY A 66 15.577 9.196 -7.277 1.00 23.12 C ATOM 949 C GLY A 66 16.152 8.494 -6.060 1.00 50.22 C ATOM 950 O GLY A 66 16.192 9.056 -4.951 1.00 32.42 O ATOM 0 H GLY A 66 15.421 8.058 -9.027 1.00 41.11 H new ATOM 0 HA2 GLY A 66 16.382 9.700 -7.812 1.00 23.12 H new ATOM 0 HA3 GLY A 66 14.881 9.968 -6.948 1.00 23.12 H new ATOM 954 N TYR A 67 16.602 7.276 -6.236 1.00 22.41 N ATOM 955 CA TYR A 67 17.171 6.548 -5.137 1.00 52.35 C ATOM 956 C TYR A 67 18.661 6.846 -4.986 1.00 1.23 C ATOM 957 O TYR A 67 19.453 6.661 -5.916 1.00 0.20 O ATOM 958 CB TYR A 67 16.851 5.056 -5.225 1.00 0.54 C ATOM 959 CG TYR A 67 15.362 4.763 -5.051 1.00 53.43 C ATOM 960 CD1 TYR A 67 14.685 5.223 -3.943 1.00 71.41 C ATOM 961 CD2 TYR A 67 14.647 4.028 -5.976 1.00 63.11 C ATOM 962 CE1 TYR A 67 13.346 4.967 -3.756 1.00 32.53 C ATOM 963 CE2 TYR A 67 13.303 3.756 -5.793 1.00 32.21 C ATOM 964 CZ TYR A 67 12.662 4.233 -4.678 1.00 33.30 C ATOM 965 OH TYR A 67 11.337 3.960 -4.474 1.00 74.23 O ATOM 0 H TYR A 67 16.584 6.774 -7.124 1.00 22.41 H new ATOM 0 HA TYR A 67 16.701 6.896 -4.217 1.00 52.35 H new ATOM 0 HB2 TYR A 67 17.182 4.674 -6.190 1.00 0.54 H new ATOM 0 HB3 TYR A 67 17.414 4.522 -4.460 1.00 0.54 H new ATOM 0 HD1 TYR A 67 15.219 5.799 -3.202 1.00 71.41 H new ATOM 0 HD2 TYR A 67 15.147 3.658 -6.859 1.00 63.11 H new ATOM 0 HE1 TYR A 67 12.839 5.347 -2.881 1.00 32.53 H new ATOM 0 HE2 TYR A 67 12.762 3.172 -6.523 1.00 32.21 H new ATOM 0 HH TYR A 67 11.111 3.103 -4.893 1.00 74.23 H new ATOM 975 N ARG A 68 19.018 7.339 -3.814 1.00 24.40 N ATOM 976 CA ARG A 68 20.365 7.797 -3.517 1.00 3.34 C ATOM 977 C ARG A 68 21.215 6.666 -2.964 1.00 34.02 C ATOM 978 O ARG A 68 21.168 6.403 -1.775 1.00 41.43 O ATOM 979 CB ARG A 68 20.335 8.920 -2.472 1.00 40.04 C ATOM 980 CG ARG A 68 19.515 10.154 -2.838 1.00 42.11 C ATOM 981 CD ARG A 68 18.233 10.276 -1.987 1.00 63.21 C ATOM 982 NE ARG A 68 17.193 9.295 -2.355 1.00 42.22 N ATOM 983 CZ ARG A 68 16.542 8.456 -1.516 1.00 40.12 C ATOM 984 NH1 ARG A 68 16.839 8.407 -0.207 1.00 4.34 N ATOM 985 NH2 ARG A 68 15.586 7.686 -1.999 1.00 35.10 N ATOM 0 H ARG A 68 18.372 7.434 -3.030 1.00 24.40 H new ATOM 0 HA ARG A 68 20.794 8.161 -4.450 1.00 3.34 H new ATOM 0 HB2 ARG A 68 19.944 8.512 -1.540 1.00 40.04 H new ATOM 0 HB3 ARG A 68 21.360 9.235 -2.276 1.00 40.04 H new ATOM 0 HG2 ARG A 68 20.125 11.047 -2.702 1.00 42.11 H new ATOM 0 HG3 ARG A 68 19.246 10.109 -3.893 1.00 42.11 H new ATOM 0 HD2 ARG A 68 18.489 10.146 -0.936 1.00 63.21 H new ATOM 0 HD3 ARG A 68 17.828 11.282 -2.095 1.00 63.21 H new ATOM 0 HE ARG A 68 16.939 9.244 -3.342 1.00 42.22 H new ATOM 0 HH11 ARG A 68 17.568 9.010 0.173 1.00 4.34 H new ATOM 0 HH12 ARG A 68 16.335 7.767 0.407 1.00 4.34 H new ATOM 0 HH21 ARG A 68 15.348 7.729 -2.990 1.00 35.10 H new ATOM 0 HH22 ARG A 68 15.085 7.047 -1.382 1.00 35.10 H new ATOM 999 N LEU A 69 21.964 6.001 -3.817 1.00 53.12 N ATOM 1000 CA LEU A 69 22.798 4.871 -3.391 1.00 10.21 C ATOM 1001 C LEU A 69 24.158 4.924 -4.000 1.00 1.32 C ATOM 1002 O LEU A 69 24.338 5.410 -5.134 1.00 70.02 O ATOM 1003 CB LEU A 69 22.135 3.530 -3.758 1.00 21.35 C ATOM 1004 CG LEU A 69 20.755 3.251 -3.149 1.00 75.35 C ATOM 1005 CD1 LEU A 69 20.215 1.920 -3.639 1.00 32.22 C ATOM 1006 CD2 LEU A 69 20.829 3.260 -1.634 1.00 30.23 C ATOM 0 H LEU A 69 22.020 6.215 -4.813 1.00 53.12 H new ATOM 0 HA LEU A 69 22.898 4.946 -2.308 1.00 10.21 H new ATOM 0 HB2 LEU A 69 22.043 3.482 -4.843 1.00 21.35 H new ATOM 0 HB3 LEU A 69 22.807 2.726 -3.459 1.00 21.35 H new ATOM 0 HG LEU A 69 20.076 4.041 -3.469 1.00 75.35 H new ATOM 0 HD11 LEU A 69 19.235 1.740 -3.196 1.00 32.22 H new ATOM 0 HD12 LEU A 69 20.124 1.942 -4.725 1.00 32.22 H new ATOM 0 HD13 LEU A 69 20.897 1.121 -3.348 1.00 32.22 H new ATOM 0 HD21 LEU A 69 19.841 3.060 -1.220 1.00 30.23 H new ATOM 0 HD22 LEU A 69 21.525 2.491 -1.299 1.00 30.23 H new ATOM 0 HD23 LEU A 69 21.175 4.236 -1.292 1.00 30.23 H new ATOM 1018 N THR A 70 25.113 4.496 -3.242 1.00 23.41 N ATOM 1019 CA THR A 70 26.406 4.263 -3.736 1.00 45.51 C ATOM 1020 C THR A 70 26.492 2.756 -3.888 1.00 23.54 C ATOM 1021 O THR A 70 25.514 2.050 -3.661 1.00 35.25 O ATOM 1022 CB THR A 70 27.569 4.796 -2.821 1.00 10.34 C ATOM 1023 OG1 THR A 70 27.725 3.997 -1.647 1.00 61.31 O ATOM 1024 CG2 THR A 70 27.332 6.248 -2.419 1.00 44.10 C ATOM 0 H THR A 70 25.003 4.299 -2.247 1.00 23.41 H new ATOM 0 HA THR A 70 26.546 4.810 -4.669 1.00 45.51 H new ATOM 0 HB THR A 70 28.485 4.733 -3.408 1.00 10.34 H new ATOM 0 HG1 THR A 70 26.993 4.185 -1.023 1.00 61.31 H new ATOM 0 HG21 THR A 70 28.152 6.589 -1.787 1.00 44.10 H new ATOM 0 HG22 THR A 70 27.280 6.869 -3.313 1.00 44.10 H new ATOM 0 HG23 THR A 70 26.394 6.325 -1.869 1.00 44.10 H new ATOM 1032 N LEU A 71 27.609 2.279 -4.240 1.00 62.35 N ATOM 1033 CA LEU A 71 27.772 0.886 -4.569 1.00 2.13 C ATOM 1034 C LEU A 71 27.870 0.020 -3.319 1.00 41.43 C ATOM 1035 O LEU A 71 27.418 -1.123 -3.307 1.00 63.52 O ATOM 1036 CB LEU A 71 28.990 0.657 -5.479 1.00 63.44 C ATOM 1037 CG LEU A 71 29.036 1.430 -6.830 1.00 13.44 C ATOM 1038 CD1 LEU A 71 27.762 1.227 -7.608 1.00 2.13 C ATOM 1039 CD2 LEU A 71 29.295 2.918 -6.630 1.00 34.12 C ATOM 0 H LEU A 71 28.463 2.831 -4.317 1.00 62.35 H new ATOM 0 HA LEU A 71 26.879 0.586 -5.118 1.00 2.13 H new ATOM 0 HB2 LEU A 71 29.885 0.915 -4.913 1.00 63.44 H new ATOM 0 HB3 LEU A 71 29.049 -0.409 -5.700 1.00 63.44 H new ATOM 0 HG LEU A 71 29.870 1.021 -7.401 1.00 13.44 H new ATOM 0 HD11 LEU A 71 27.818 1.777 -8.548 1.00 2.13 H new ATOM 0 HD12 LEU A 71 27.628 0.165 -7.816 1.00 2.13 H new ATOM 0 HD13 LEU A 71 26.917 1.592 -7.024 1.00 2.13 H new ATOM 0 HD21 LEU A 71 29.319 3.417 -7.599 1.00 34.12 H new ATOM 0 HD22 LEU A 71 28.500 3.347 -6.021 1.00 34.12 H new ATOM 0 HD23 LEU A 71 30.252 3.056 -6.127 1.00 34.12 H new ATOM 1051 N ARG A 72 28.414 0.612 -2.262 1.00 24.20 N ATOM 1052 CA ARG A 72 28.685 -0.073 -0.982 1.00 42.23 C ATOM 1053 C ARG A 72 27.408 -0.675 -0.432 1.00 72.24 C ATOM 1054 O ARG A 72 27.412 -1.784 0.042 1.00 21.54 O ATOM 1055 CB ARG A 72 29.230 0.946 0.026 1.00 33.22 C ATOM 1056 CG ARG A 72 29.509 0.383 1.413 1.00 10.42 C ATOM 1057 CD ARG A 72 29.508 1.489 2.469 1.00 23.53 C ATOM 1058 NE ARG A 72 28.202 2.153 2.495 1.00 71.14 N ATOM 1059 CZ ARG A 72 27.534 2.623 3.554 1.00 52.32 C ATOM 1060 NH1 ARG A 72 28.053 2.638 4.784 1.00 55.23 N ATOM 1061 NH2 ARG A 72 26.342 3.091 3.355 1.00 5.44 N ATOM 0 H ARG A 72 28.687 1.595 -2.259 1.00 24.20 H new ATOM 0 HA ARG A 72 29.413 -0.867 -1.149 1.00 42.23 H new ATOM 0 HB2 ARG A 72 30.152 1.371 -0.371 1.00 33.22 H new ATOM 0 HB3 ARG A 72 28.515 1.764 0.118 1.00 33.22 H new ATOM 0 HG2 ARG A 72 28.755 -0.364 1.664 1.00 10.42 H new ATOM 0 HG3 ARG A 72 30.474 -0.125 1.415 1.00 10.42 H new ATOM 0 HD2 ARG A 72 29.731 1.068 3.449 1.00 23.53 H new ATOM 0 HD3 ARG A 72 30.290 2.215 2.248 1.00 23.53 H new ATOM 0 HE ARG A 72 27.745 2.272 1.591 1.00 71.14 H new ATOM 0 HH11 ARG A 72 28.995 2.281 4.944 1.00 55.23 H new ATOM 0 HH12 ARG A 72 27.507 3.006 5.563 1.00 55.23 H new ATOM 0 HH21 ARG A 72 25.945 3.092 2.416 1.00 5.44 H new ATOM 0 HH22 ARG A 72 25.801 3.458 4.138 1.00 5.44 H new ATOM 1075 N GLU A 73 26.352 0.093 -0.513 1.00 4.13 N ATOM 1076 CA GLU A 73 25.011 -0.266 -0.078 1.00 4.42 C ATOM 1077 C GLU A 73 24.614 -1.667 -0.539 1.00 52.13 C ATOM 1078 O GLU A 73 24.326 -2.560 0.270 1.00 74.04 O ATOM 1079 CB GLU A 73 24.034 0.738 -0.686 1.00 63.32 C ATOM 1080 CG GLU A 73 23.993 2.136 -0.067 1.00 32.52 C ATOM 1081 CD GLU A 73 25.270 2.911 -0.008 1.00 41.01 C ATOM 1082 OE1 GLU A 73 26.199 2.527 0.712 1.00 11.23 O ATOM 1083 OE2 GLU A 73 25.356 3.924 -0.681 1.00 30.42 O ATOM 0 H GLU A 73 26.398 1.035 -0.903 1.00 4.13 H new ATOM 0 HA GLU A 73 24.987 -0.252 1.012 1.00 4.42 H new ATOM 0 HB2 GLU A 73 24.273 0.844 -1.744 1.00 63.32 H new ATOM 0 HB3 GLU A 73 23.032 0.313 -0.627 1.00 63.32 H new ATOM 0 HG2 GLU A 73 23.268 2.728 -0.625 1.00 32.52 H new ATOM 0 HG3 GLU A 73 23.612 2.041 0.950 1.00 32.52 H new ATOM 1090 N LEU A 74 24.661 -1.846 -1.838 1.00 73.44 N ATOM 1091 CA LEU A 74 24.253 -3.090 -2.494 1.00 60.31 C ATOM 1092 C LEU A 74 25.161 -4.251 -2.107 1.00 43.43 C ATOM 1093 O LEU A 74 24.727 -5.392 -2.047 1.00 50.34 O ATOM 1094 CB LEU A 74 24.263 -2.956 -4.038 1.00 55.54 C ATOM 1095 CG LEU A 74 23.384 -1.870 -4.698 1.00 74.30 C ATOM 1096 CD1 LEU A 74 21.946 -1.931 -4.222 1.00 22.15 C ATOM 1097 CD2 LEU A 74 23.968 -0.482 -4.525 1.00 65.53 C ATOM 0 H LEU A 74 24.986 -1.130 -2.487 1.00 73.44 H new ATOM 0 HA LEU A 74 23.237 -3.291 -2.155 1.00 60.31 H new ATOM 0 HB2 LEU A 74 25.293 -2.779 -4.347 1.00 55.54 H new ATOM 0 HB3 LEU A 74 23.966 -3.919 -4.454 1.00 55.54 H new ATOM 0 HG LEU A 74 23.377 -2.086 -5.766 1.00 74.30 H new ATOM 0 HD11 LEU A 74 21.367 -1.149 -4.713 1.00 22.15 H new ATOM 0 HD12 LEU A 74 21.522 -2.905 -4.468 1.00 22.15 H new ATOM 0 HD13 LEU A 74 21.913 -1.783 -3.143 1.00 22.15 H new ATOM 0 HD21 LEU A 74 23.317 0.249 -5.005 1.00 65.53 H new ATOM 0 HD22 LEU A 74 24.051 -0.252 -3.463 1.00 65.53 H new ATOM 0 HD23 LEU A 74 24.956 -0.443 -4.983 1.00 65.53 H new ATOM 1109 N TYR A 75 26.409 -3.938 -1.850 1.00 11.44 N ATOM 1110 CA TYR A 75 27.422 -4.933 -1.526 1.00 4.34 C ATOM 1111 C TYR A 75 27.441 -5.309 -0.062 1.00 43.45 C ATOM 1112 O TYR A 75 27.693 -6.460 0.281 1.00 43.44 O ATOM 1113 CB TYR A 75 28.796 -4.419 -1.933 1.00 4.14 C ATOM 1114 CG TYR A 75 29.062 -4.482 -3.399 1.00 10.12 C ATOM 1115 CD1 TYR A 75 29.052 -5.694 -4.082 1.00 34.03 C ATOM 1116 CD2 TYR A 75 29.314 -3.332 -4.105 1.00 0.02 C ATOM 1117 CE1 TYR A 75 29.294 -5.733 -5.447 1.00 11.34 C ATOM 1118 CE2 TYR A 75 29.554 -3.359 -5.450 1.00 24.11 C ATOM 1119 CZ TYR A 75 29.542 -4.552 -6.118 1.00 63.53 C ATOM 1120 OH TYR A 75 29.794 -4.564 -7.446 1.00 50.32 O ATOM 0 H TYR A 75 26.760 -2.980 -1.858 1.00 11.44 H new ATOM 0 HA TYR A 75 27.166 -5.833 -2.084 1.00 4.34 H new ATOM 0 HB2 TYR A 75 28.898 -3.386 -1.600 1.00 4.14 H new ATOM 0 HB3 TYR A 75 29.558 -4.999 -1.412 1.00 4.14 H new ATOM 0 HD1 TYR A 75 28.855 -6.610 -3.546 1.00 34.03 H new ATOM 0 HD2 TYR A 75 29.323 -2.385 -3.586 1.00 0.02 H new ATOM 0 HE1 TYR A 75 29.289 -6.674 -5.978 1.00 11.34 H new ATOM 0 HE2 TYR A 75 29.752 -2.441 -5.984 1.00 24.11 H new ATOM 0 HH TYR A 75 30.605 -4.046 -7.630 1.00 50.32 H new ATOM 1130 N ALA A 76 27.191 -4.347 0.791 1.00 52.12 N ATOM 1131 CA ALA A 76 27.279 -4.569 2.211 1.00 14.02 C ATOM 1132 C ALA A 76 26.126 -5.415 2.715 1.00 53.42 C ATOM 1133 O ALA A 76 26.316 -6.326 3.518 1.00 24.12 O ATOM 1134 CB ALA A 76 27.369 -3.255 2.972 1.00 33.21 C ATOM 0 H ALA A 76 26.924 -3.399 0.524 1.00 52.12 H new ATOM 0 HA ALA A 76 28.199 -5.124 2.396 1.00 14.02 H new ATOM 0 HB1 ALA A 76 27.434 -3.457 4.041 1.00 33.21 H new ATOM 0 HB2 ALA A 76 28.256 -2.709 2.651 1.00 33.21 H new ATOM 0 HB3 ALA A 76 26.481 -2.656 2.770 1.00 33.21 H new ATOM 1140 N ALA A 77 24.938 -5.125 2.244 1.00 60.13 N ATOM 1141 CA ALA A 77 23.788 -5.885 2.646 1.00 31.20 C ATOM 1142 C ALA A 77 22.964 -6.292 1.435 1.00 2.25 C ATOM 1143 O ALA A 77 21.955 -5.663 1.116 1.00 70.23 O ATOM 1144 CB ALA A 77 22.944 -5.121 3.664 1.00 0.03 C ATOM 0 H ALA A 77 24.746 -4.371 1.585 1.00 60.13 H new ATOM 0 HA ALA A 77 24.138 -6.794 3.135 1.00 31.20 H new ATOM 0 HB1 ALA A 77 22.081 -5.724 3.947 1.00 0.03 H new ATOM 0 HB2 ALA A 77 23.545 -4.909 4.548 1.00 0.03 H new ATOM 0 HB3 ALA A 77 22.603 -4.184 3.224 1.00 0.03 H new ATOM 1150 N PRO A 78 23.400 -7.313 0.694 1.00 53.10 N ATOM 1151 CA PRO A 78 22.682 -7.777 -0.459 1.00 54.11 C ATOM 1152 C PRO A 78 21.559 -8.725 -0.072 1.00 34.22 C ATOM 1153 O PRO A 78 21.737 -9.945 0.002 1.00 60.12 O ATOM 1154 CB PRO A 78 23.751 -8.494 -1.303 1.00 41.40 C ATOM 1155 CG PRO A 78 25.031 -8.334 -0.533 1.00 33.41 C ATOM 1156 CD PRO A 78 24.632 -8.063 0.880 1.00 54.53 C ATOM 0 HA PRO A 78 22.198 -6.964 -1.000 1.00 54.11 H new ATOM 0 HB2 PRO A 78 23.503 -9.546 -1.441 1.00 41.40 H new ATOM 0 HB3 PRO A 78 23.831 -8.052 -2.296 1.00 41.40 H new ATOM 0 HG2 PRO A 78 25.641 -9.235 -0.600 1.00 33.41 H new ATOM 0 HG3 PRO A 78 25.627 -7.514 -0.934 1.00 33.41 H new ATOM 0 HD2 PRO A 78 24.472 -8.982 1.444 1.00 54.53 H new ATOM 0 HD3 PRO A 78 25.386 -7.487 1.416 1.00 54.53 H new ATOM 1164 N THR A 79 20.440 -8.124 0.213 1.00 71.23 N ATOM 1165 CA THR A 79 19.190 -8.755 0.551 1.00 44.42 C ATOM 1166 C THR A 79 18.147 -7.764 0.107 1.00 63.43 C ATOM 1167 O THR A 79 18.370 -6.554 0.248 1.00 65.10 O ATOM 1168 CB THR A 79 19.058 -8.988 2.091 1.00 53.44 C ATOM 1169 OG1 THR A 79 19.491 -7.816 2.794 1.00 32.04 O ATOM 1170 CG2 THR A 79 19.861 -10.190 2.568 1.00 32.44 C ATOM 0 H THR A 79 20.369 -7.106 0.216 1.00 71.23 H new ATOM 0 HA THR A 79 19.096 -9.734 0.080 1.00 44.42 H new ATOM 0 HB THR A 79 18.008 -9.191 2.300 1.00 53.44 H new ATOM 0 HG1 THR A 79 19.406 -7.963 3.759 1.00 32.04 H new ATOM 0 HG21 THR A 79 19.735 -10.308 3.644 1.00 32.44 H new ATOM 0 HG22 THR A 79 19.508 -11.088 2.061 1.00 32.44 H new ATOM 0 HG23 THR A 79 20.916 -10.036 2.341 1.00 32.44 H new ATOM 1178 N LEU A 80 17.044 -8.200 -0.411 1.00 0.45 N ATOM 1179 CA LEU A 80 16.095 -7.258 -0.958 1.00 32.34 C ATOM 1180 C LEU A 80 15.350 -6.562 0.136 1.00 14.11 C ATOM 1181 O LEU A 80 14.881 -5.439 -0.029 1.00 50.03 O ATOM 1182 CB LEU A 80 15.178 -7.920 -1.924 1.00 61.12 C ATOM 1183 CG LEU A 80 15.870 -8.557 -3.095 1.00 24.31 C ATOM 1184 CD1 LEU A 80 14.872 -9.258 -3.952 1.00 55.41 C ATOM 1185 CD2 LEU A 80 16.594 -7.515 -3.924 1.00 4.54 C ATOM 0 H LEU A 80 16.772 -9.181 -0.471 1.00 0.45 H new ATOM 0 HA LEU A 80 16.646 -6.498 -1.512 1.00 32.34 H new ATOM 0 HB2 LEU A 80 14.603 -8.682 -1.398 1.00 61.12 H new ATOM 0 HB3 LEU A 80 14.466 -7.183 -2.295 1.00 61.12 H new ATOM 0 HG LEU A 80 16.598 -9.273 -2.713 1.00 24.31 H new ATOM 0 HD11 LEU A 80 15.380 -9.718 -4.800 1.00 55.41 H new ATOM 0 HD12 LEU A 80 14.369 -10.029 -3.368 1.00 55.41 H new ATOM 0 HD13 LEU A 80 14.137 -8.540 -4.315 1.00 55.41 H new ATOM 0 HD21 LEU A 80 17.088 -7.999 -4.766 1.00 4.54 H new ATOM 0 HD22 LEU A 80 15.877 -6.783 -4.296 1.00 4.54 H new ATOM 0 HD23 LEU A 80 17.339 -7.012 -3.307 1.00 4.54 H new ATOM 1197 N ALA A 81 15.256 -7.235 1.242 1.00 55.53 N ATOM 1198 CA ALA A 81 14.727 -6.668 2.474 1.00 65.03 C ATOM 1199 C ALA A 81 15.505 -5.393 2.844 1.00 74.34 C ATOM 1200 O ALA A 81 14.912 -4.362 3.209 1.00 31.34 O ATOM 1201 CB ALA A 81 14.815 -7.686 3.603 1.00 61.15 C ATOM 0 H ALA A 81 15.545 -8.209 1.330 1.00 55.53 H new ATOM 0 HA ALA A 81 13.679 -6.409 2.321 1.00 65.03 H new ATOM 0 HB1 ALA A 81 14.416 -7.249 4.519 1.00 61.15 H new ATOM 0 HB2 ALA A 81 14.235 -8.571 3.341 1.00 61.15 H new ATOM 0 HB3 ALA A 81 15.856 -7.967 3.759 1.00 61.15 H new ATOM 1207 N ALA A 82 16.830 -5.454 2.705 1.00 73.23 N ATOM 1208 CA ALA A 82 17.680 -4.308 2.985 1.00 65.25 C ATOM 1209 C ALA A 82 17.617 -3.311 1.843 1.00 5.34 C ATOM 1210 O ALA A 82 17.629 -2.111 2.066 1.00 33.45 O ATOM 1211 CB ALA A 82 19.114 -4.728 3.244 1.00 14.03 C ATOM 0 H ALA A 82 17.333 -6.287 2.400 1.00 73.23 H new ATOM 0 HA ALA A 82 17.306 -3.831 3.891 1.00 65.25 H new ATOM 0 HB1 ALA A 82 19.720 -3.846 3.450 1.00 14.03 H new ATOM 0 HB2 ALA A 82 19.147 -5.399 4.102 1.00 14.03 H new ATOM 0 HB3 ALA A 82 19.507 -5.242 2.367 1.00 14.03 H new ATOM 1217 N TRP A 83 17.505 -3.814 0.616 1.00 52.54 N ATOM 1218 CA TRP A 83 17.396 -2.951 -0.567 1.00 22.42 C ATOM 1219 C TRP A 83 16.089 -2.144 -0.537 1.00 75.34 C ATOM 1220 O TRP A 83 16.001 -1.054 -1.093 1.00 33.33 O ATOM 1221 CB TRP A 83 17.580 -3.740 -1.890 1.00 1.51 C ATOM 1222 CG TRP A 83 18.988 -4.303 -2.094 1.00 53.41 C ATOM 1223 CD1 TRP A 83 19.970 -4.435 -1.152 1.00 61.13 C ATOM 1224 CD2 TRP A 83 19.556 -4.807 -3.317 1.00 52.15 C ATOM 1225 NE1 TRP A 83 21.098 -4.978 -1.701 1.00 44.41 N ATOM 1226 CE2 TRP A 83 20.876 -5.221 -3.027 1.00 43.53 C ATOM 1227 CE3 TRP A 83 19.085 -4.949 -4.621 1.00 0.25 C ATOM 1228 CZ2 TRP A 83 21.718 -5.764 -3.994 1.00 23.25 C ATOM 1229 CZ3 TRP A 83 19.921 -5.489 -5.578 1.00 30.04 C ATOM 1230 CH2 TRP A 83 21.221 -5.890 -5.260 1.00 22.24 C ATOM 0 H TRP A 83 17.487 -4.813 0.411 1.00 52.54 H new ATOM 0 HA TRP A 83 18.219 -2.237 -0.532 1.00 22.42 H new ATOM 0 HB2 TRP A 83 16.865 -4.563 -1.912 1.00 1.51 H new ATOM 0 HB3 TRP A 83 17.338 -3.085 -2.727 1.00 1.51 H new ATOM 0 HD1 TRP A 83 19.868 -4.149 -0.115 1.00 61.13 H new ATOM 0 HE1 TRP A 83 21.966 -5.171 -1.201 1.00 44.41 H new ATOM 0 HE3 TRP A 83 18.082 -4.642 -4.879 1.00 0.25 H new ATOM 0 HZ2 TRP A 83 22.724 -6.073 -3.753 1.00 23.25 H new ATOM 0 HZ3 TRP A 83 19.564 -5.603 -6.591 1.00 30.04 H new ATOM 0 HH2 TRP A 83 21.848 -6.309 -6.033 1.00 22.24 H new ATOM 1241 N ASN A 84 15.091 -2.691 0.141 1.00 31.11 N ATOM 1242 CA ASN A 84 13.841 -1.985 0.431 1.00 72.32 C ATOM 1243 C ASN A 84 14.128 -0.763 1.300 1.00 13.14 C ATOM 1244 O ASN A 84 13.568 0.310 1.081 1.00 23.24 O ATOM 1245 CB ASN A 84 12.837 -2.941 1.133 1.00 13.23 C ATOM 1246 CG ASN A 84 11.662 -2.242 1.841 1.00 33.11 C ATOM 1247 OD1 ASN A 84 10.590 -1.996 1.257 1.00 75.05 O ATOM 1248 ND2 ASN A 84 11.830 -1.974 3.123 1.00 51.24 N ATOM 0 H ASN A 84 15.121 -3.642 0.510 1.00 31.11 H new ATOM 0 HA ASN A 84 13.392 -1.648 -0.503 1.00 72.32 H new ATOM 0 HB2 ASN A 84 12.436 -3.631 0.391 1.00 13.23 H new ATOM 0 HB3 ASN A 84 13.379 -3.539 1.865 1.00 13.23 H new ATOM 0 HD21 ASN A 84 11.071 -1.555 3.660 1.00 51.24 H new ATOM 0 HD22 ASN A 84 12.719 -2.186 3.576 1.00 51.24 H new ATOM 1255 N GLN A 85 15.035 -0.915 2.263 1.00 20.21 N ATOM 1256 CA GLN A 85 15.393 0.188 3.126 1.00 75.21 C ATOM 1257 C GLN A 85 16.268 1.157 2.345 1.00 11.23 C ATOM 1258 O GLN A 85 16.154 2.378 2.500 1.00 32.33 O ATOM 1259 CB GLN A 85 16.130 -0.274 4.388 1.00 71.44 C ATOM 1260 CG GLN A 85 16.291 0.856 5.388 1.00 12.23 C ATOM 1261 CD GLN A 85 17.154 0.547 6.592 1.00 43.50 C ATOM 1262 OE1 GLN A 85 18.193 -0.217 6.404 1.00 60.11 O flip ATOM 1263 NE2 GLN A 85 16.906 1.066 7.671 1.00 21.01 N flip ATOM 0 H GLN A 85 15.527 -1.787 2.458 1.00 20.21 H new ATOM 0 HA GLN A 85 14.474 0.674 3.452 1.00 75.21 H new ATOM 0 HB2 GLN A 85 15.581 -1.094 4.851 1.00 71.44 H new ATOM 0 HB3 GLN A 85 17.112 -0.661 4.115 1.00 71.44 H new ATOM 0 HG2 GLN A 85 16.715 1.717 4.871 1.00 12.23 H new ATOM 0 HG3 GLN A 85 15.302 1.150 5.739 1.00 12.23 H new ATOM 0 HE21 GLN A 85 16.082 1.658 7.775 1.00 21.01 H new ATOM 0 HE22 GLN A 85 17.524 0.907 8.467 1.00 21.01 H new ATOM 1272 N LEU A 86 17.113 0.593 1.469 1.00 24.24 N ATOM 1273 CA LEU A 86 17.990 1.366 0.589 1.00 34.31 C ATOM 1274 C LEU A 86 17.202 2.306 -0.308 1.00 4.32 C ATOM 1275 O LEU A 86 17.722 3.298 -0.797 1.00 55.34 O ATOM 1276 CB LEU A 86 18.862 0.463 -0.280 1.00 52.41 C ATOM 1277 CG LEU A 86 19.911 -0.367 0.442 1.00 33.31 C ATOM 1278 CD1 LEU A 86 20.701 -1.179 -0.549 1.00 20.33 C ATOM 1279 CD2 LEU A 86 20.851 0.512 1.230 1.00 43.40 C ATOM 0 H LEU A 86 17.205 -0.416 1.354 1.00 24.24 H new ATOM 0 HA LEU A 86 18.632 1.955 1.244 1.00 34.31 H new ATOM 0 HB2 LEU A 86 18.209 -0.215 -0.829 1.00 52.41 H new ATOM 0 HB3 LEU A 86 19.368 1.085 -1.018 1.00 52.41 H new ATOM 0 HG LEU A 86 19.394 -1.033 1.133 1.00 33.31 H new ATOM 0 HD11 LEU A 86 21.450 -1.770 -0.021 1.00 20.33 H new ATOM 0 HD12 LEU A 86 20.030 -1.845 -1.091 1.00 20.33 H new ATOM 0 HD13 LEU A 86 21.197 -0.511 -1.254 1.00 20.33 H new ATOM 0 HD21 LEU A 86 21.591 -0.108 1.736 1.00 43.40 H new ATOM 0 HD22 LEU A 86 21.357 1.202 0.554 1.00 43.40 H new ATOM 0 HD23 LEU A 86 20.285 1.078 1.970 1.00 43.40 H new ATOM 1291 N MET A 87 15.955 1.990 -0.528 1.00 23.13 N ATOM 1292 CA MET A 87 15.127 2.835 -1.316 1.00 14.44 C ATOM 1293 C MET A 87 14.726 4.110 -0.586 1.00 24.44 C ATOM 1294 O MET A 87 15.119 5.209 -0.973 1.00 23.22 O ATOM 1295 CB MET A 87 13.915 2.104 -1.878 1.00 42.51 C ATOM 1296 CG MET A 87 14.275 1.160 -2.997 1.00 71.02 C ATOM 1297 SD MET A 87 12.844 0.515 -3.857 1.00 52.21 S ATOM 1298 CE MET A 87 13.676 -0.363 -5.169 1.00 20.41 C ATOM 0 H MET A 87 15.498 1.152 -0.169 1.00 23.13 H new ATOM 0 HA MET A 87 15.737 3.139 -2.167 1.00 14.44 H new ATOM 0 HB2 MET A 87 13.429 1.545 -1.078 1.00 42.51 H new ATOM 0 HB3 MET A 87 13.192 2.834 -2.242 1.00 42.51 H new ATOM 0 HG2 MET A 87 14.917 1.678 -3.709 1.00 71.02 H new ATOM 0 HG3 MET A 87 14.853 0.330 -2.592 1.00 71.02 H new ATOM 0 HE1 MET A 87 12.944 -0.700 -5.903 1.00 20.41 H new ATOM 0 HE2 MET A 87 14.394 0.300 -5.652 1.00 20.41 H new ATOM 0 HE3 MET A 87 14.199 -1.225 -4.755 1.00 20.41 H new ATOM 1308 N LEU A 88 13.994 3.990 0.479 1.00 40.23 N ATOM 1309 CA LEU A 88 13.518 5.179 1.143 1.00 53.23 C ATOM 1310 C LEU A 88 14.538 5.815 2.073 1.00 72.04 C ATOM 1311 O LEU A 88 14.937 6.968 1.870 1.00 15.00 O ATOM 1312 CB LEU A 88 12.204 4.955 1.845 1.00 63.03 C ATOM 1313 CG LEU A 88 12.046 3.684 2.617 1.00 73.12 C ATOM 1314 CD1 LEU A 88 11.107 3.979 3.719 1.00 2.31 C ATOM 1315 CD2 LEU A 88 11.459 2.606 1.709 1.00 71.03 C ATOM 0 H LEU A 88 13.715 3.106 0.904 1.00 40.23 H new ATOM 0 HA LEU A 88 13.351 5.898 0.341 1.00 53.23 H new ATOM 0 HB2 LEU A 88 12.041 5.788 2.529 1.00 63.03 H new ATOM 0 HB3 LEU A 88 11.411 4.997 1.098 1.00 63.03 H new ATOM 0 HG LEU A 88 13.002 3.325 2.999 1.00 73.12 H new ATOM 0 HD11 LEU A 88 10.955 3.081 4.318 1.00 2.31 H new ATOM 0 HD12 LEU A 88 11.520 4.768 4.347 1.00 2.31 H new ATOM 0 HD13 LEU A 88 10.153 4.306 3.306 1.00 2.31 H new ATOM 0 HD21 LEU A 88 11.344 1.680 2.272 1.00 71.03 H new ATOM 0 HD22 LEU A 88 10.486 2.931 1.341 1.00 71.03 H new ATOM 0 HD23 LEU A 88 12.128 2.437 0.865 1.00 71.03 H new ATOM 1327 N SER A 89 15.035 5.041 3.005 1.00 24.50 N ATOM 1328 CA SER A 89 15.961 5.516 4.008 1.00 24.24 C ATOM 1329 C SER A 89 17.368 5.621 3.429 1.00 52.12 C ATOM 1330 O SER A 89 18.208 6.334 3.951 1.00 53.01 O ATOM 1331 CB SER A 89 15.960 4.496 5.138 1.00 71.34 C ATOM 1332 OG SER A 89 14.623 4.115 5.458 1.00 41.25 O ATOM 0 H SER A 89 14.806 4.051 3.091 1.00 24.50 H new ATOM 0 HA SER A 89 15.662 6.503 4.360 1.00 24.24 H new ATOM 0 HB2 SER A 89 16.536 3.618 4.845 1.00 71.34 H new ATOM 0 HB3 SER A 89 16.446 4.917 6.018 1.00 71.34 H new ATOM 0 HG SER A 89 14.635 3.458 6.185 1.00 41.25 H new ATOM 1338 N ARG A 90 17.568 4.891 2.307 1.00 13.44 N ATOM 1339 CA ARG A 90 18.837 4.633 1.617 1.00 1.40 C ATOM 1340 C ARG A 90 19.802 3.906 2.565 1.00 31.43 C ATOM 1341 O ARG A 90 20.948 3.634 2.218 1.00 33.13 O ATOM 1342 CB ARG A 90 19.412 5.929 0.985 1.00 30.13 C ATOM 1343 CG ARG A 90 20.343 6.708 1.853 1.00 21.43 C ATOM 1344 CD ARG A 90 21.794 6.364 1.492 1.00 41.11 C ATOM 1345 NE ARG A 90 22.769 6.791 2.516 1.00 62.13 N ATOM 1346 CZ ARG A 90 23.482 5.918 3.276 1.00 44.41 C ATOM 1347 NH1 ARG A 90 23.378 4.617 3.074 1.00 70.54 N ATOM 1348 NH2 ARG A 90 24.283 6.349 4.250 1.00 34.01 N ATOM 0 H ARG A 90 16.787 4.438 1.833 1.00 13.44 H new ATOM 0 HA ARG A 90 18.671 3.965 0.772 1.00 1.40 H new ATOM 0 HB2 ARG A 90 19.936 5.663 0.067 1.00 30.13 H new ATOM 0 HB3 ARG A 90 18.581 6.575 0.702 1.00 30.13 H new ATOM 0 HG2 ARG A 90 20.169 7.776 1.723 1.00 21.43 H new ATOM 0 HG3 ARG A 90 20.155 6.480 2.902 1.00 21.43 H new ATOM 0 HD2 ARG A 90 21.879 5.287 1.346 1.00 41.11 H new ATOM 0 HD3 ARG A 90 22.046 6.835 0.542 1.00 41.11 H new ATOM 0 HE ARG A 90 22.915 7.790 2.660 1.00 62.13 H new ATOM 0 HH11 ARG A 90 22.760 4.262 2.344 1.00 70.54 H new ATOM 0 HH12 ARG A 90 23.916 3.967 3.648 1.00 70.54 H new ATOM 0 HH21 ARG A 90 24.369 7.348 4.435 1.00 34.01 H new ATOM 0 HH22 ARG A 90 24.810 5.679 4.810 1.00 34.01 H new ATOM 1362 N SER A 91 19.227 3.465 3.694 1.00 4.12 N ATOM 1363 CA SER A 91 19.930 2.973 4.856 1.00 25.43 C ATOM 1364 C SER A 91 20.678 4.092 5.574 1.00 20.44 C ATOM 1365 O SER A 91 21.389 4.843 4.970 1.00 3.25 O ATOM 1366 CB SER A 91 20.853 1.788 4.560 1.00 33.11 C ATOM 1367 OG SER A 91 20.109 0.588 4.403 1.00 4.35 O ATOM 0 H SER A 91 18.214 3.447 3.812 1.00 4.12 H new ATOM 0 HA SER A 91 19.159 2.592 5.526 1.00 25.43 H new ATOM 0 HB2 SER A 91 21.425 1.986 3.654 1.00 33.11 H new ATOM 0 HB3 SER A 91 21.571 1.671 5.371 1.00 33.11 H new ATOM 0 HG SER A 91 19.535 0.454 5.186 1.00 4.35 H new ATOM 1373 N PRO A 92 20.375 4.322 6.842 1.00 1.35 N ATOM 1374 CA PRO A 92 21.219 5.166 7.698 1.00 13.41 C ATOM 1375 C PRO A 92 22.704 4.706 7.668 1.00 31.32 C ATOM 1376 O PRO A 92 23.625 5.528 7.787 1.00 22.32 O ATOM 1377 CB PRO A 92 20.619 4.950 9.088 1.00 11.23 C ATOM 1378 CG PRO A 92 19.182 4.629 8.837 1.00 45.33 C ATOM 1379 CD PRO A 92 19.124 3.912 7.510 1.00 22.20 C ATOM 0 HA PRO A 92 21.231 6.209 7.382 1.00 13.41 H new ATOM 0 HB2 PRO A 92 21.120 4.137 9.613 1.00 11.23 H new ATOM 0 HB3 PRO A 92 20.723 5.841 9.707 1.00 11.23 H new ATOM 0 HG2 PRO A 92 18.780 4.002 9.633 1.00 45.33 H new ATOM 0 HG3 PRO A 92 18.581 5.538 8.813 1.00 45.33 H new ATOM 0 HD2 PRO A 92 19.074 2.831 7.640 1.00 22.20 H new ATOM 0 HD3 PRO A 92 18.246 4.205 6.934 1.00 22.20 H new ATOM 1387 N GLU A 93 22.879 3.394 7.526 1.00 14.01 N ATOM 1388 CA GLU A 93 24.176 2.706 7.407 1.00 72.23 C ATOM 1389 C GLU A 93 25.078 3.358 6.333 1.00 1.23 C ATOM 1390 O GLU A 93 26.278 3.605 6.589 1.00 5.13 O ATOM 1391 CB GLU A 93 23.993 1.199 7.049 1.00 54.01 C ATOM 1392 CG GLU A 93 23.079 0.363 7.976 1.00 11.41 C ATOM 1393 CD GLU A 93 21.587 0.578 7.734 1.00 51.02 C ATOM 1394 OE1 GLU A 93 21.020 1.523 8.292 1.00 13.54 O ATOM 1395 OE2 GLU A 93 20.976 -0.206 6.958 1.00 73.22 O ATOM 1396 OXT GLU A 93 24.593 3.627 5.206 1.00 36.71 O ATOM 0 H GLU A 93 22.091 2.748 7.488 1.00 14.01 H new ATOM 0 HA GLU A 93 24.655 2.796 8.382 1.00 72.23 H new ATOM 0 HB2 GLU A 93 23.595 1.137 6.036 1.00 54.01 H new ATOM 0 HB3 GLU A 93 24.978 0.732 7.034 1.00 54.01 H new ATOM 0 HG2 GLU A 93 23.310 -0.694 7.841 1.00 11.41 H new ATOM 0 HG3 GLU A 93 23.308 0.609 9.013 1.00 11.41 H new TER 1403 GLU A 93