USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 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 98 TYR OH : rot 179:sc= 0.973 USER MOD Set 1.2: A 104 LYS NZ :NH3+ 158:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 91 MET CE :methyl -156:sc= -0.197 (180deg=-0.899) USER MOD Set 2.2: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 42 TYR OH : rot 130:sc= 0.052 USER MOD Set 3.2: A 56 GLN : amide:sc= -0.385 X(o=-0.33,f=-0.12) USER MOD Single : A 32 GLN : amide:sc= 0.0935 K(o=0.093,f=-3) USER MOD Single : A 38 ASN : amide:sc= 0.184 K(o=0.18,f=-5.8!) USER MOD Single : A 41 GLN : amide:sc= -1.15! K(o=-1.2!,f=-0.023) USER MOD Single : A 43 ASN : amide:sc= 0.402 K(o=0.4,f=-4.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.07) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= -0.0102 (180deg=-0.124) USER MOD Single : A 61 ASN : amide:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 72 SER OG : rot 55:sc= 0.0231 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0591) USER MOD Single : A 80 LYS NZ :NH3+ 140:sc= -0.814 (180deg=-3.65!) USER MOD Single : A 85 SER OG : rot -75:sc= 0.968 USER MOD Single : A 87 ASN : amide:sc= -0.0487 X(o=-0.049,f=0.0014) USER MOD Single : A 89 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.6) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 94 TYR OH : rot 40:sc= 1.28 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.82) USER MOD Single : A 100 MET CE :methyl -162:sc= -0.147 (180deg=-0.589) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 108 HIS : no HD1:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= -0.07 (180deg=-0.394) USER MOD Single : A 111 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.12) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -73:sc= 0.58 USER MOD Single : A 118 TYR OH : rot 103:sc= 0.184 USER MOD Single : A 123 LYS NZ :NH3+ -166:sc= -0.0829 (180deg=-0.324) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 7.227 -10.625 -1.049 1.00 8.65 N ATOM 2 CA LEU A 26 6.794 -9.296 -0.572 1.00 7.71 C ATOM 3 C LEU A 26 6.172 -8.515 -1.718 1.00 6.76 C ATOM 4 O LEU A 26 6.751 -8.439 -2.801 1.00 6.84 O ATOM 5 CB LEU A 26 7.988 -8.525 0.000 1.00 7.84 C ATOM 6 CG LEU A 26 7.661 -7.143 0.574 1.00 8.33 C ATOM 7 CD1 LEU A 26 6.721 -7.263 1.764 1.00 8.50 C ATOM 8 CD2 LEU A 26 8.937 -6.416 0.972 1.00 8.72 C ATOM 0 HA LEU A 26 6.052 -9.427 0.215 1.00 7.71 H new ATOM 0 HB2 LEU A 26 8.446 -9.127 0.785 1.00 7.84 H new ATOM 0 HB3 LEU A 26 8.733 -8.406 -0.786 1.00 7.84 H new ATOM 0 HG LEU A 26 7.159 -6.561 -0.199 1.00 8.33 H new ATOM 0 HD11 LEU A 26 6.502 -6.270 2.156 1.00 8.50 H new ATOM 0 HD12 LEU A 26 5.794 -7.741 1.448 1.00 8.50 H new ATOM 0 HD13 LEU A 26 7.193 -7.864 2.541 1.00 8.50 H new ATOM 0 HD21 LEU A 26 8.686 -5.436 1.378 1.00 8.72 H new ATOM 0 HD22 LEU A 26 9.466 -6.997 1.727 1.00 8.72 H new ATOM 0 HD23 LEU A 26 9.574 -6.294 0.096 1.00 8.72 H new ATOM 20 N ALA A 27 4.983 -7.968 -1.488 1.00 6.18 N ATOM 21 CA ALA A 27 4.312 -7.148 -2.489 1.00 5.48 C ATOM 22 C ALA A 27 5.149 -5.918 -2.808 1.00 4.38 C ATOM 23 O ALA A 27 5.434 -5.109 -1.924 1.00 4.57 O ATOM 24 CB ALA A 27 2.932 -6.738 -2.000 1.00 6.04 C ATOM 0 H ALA A 27 4.464 -8.078 -0.617 1.00 6.18 H new ATOM 0 HA ALA A 27 4.195 -7.736 -3.400 1.00 5.48 H new ATOM 0 HB1 ALA A 27 2.444 -6.126 -2.759 1.00 6.04 H new ATOM 0 HB2 ALA A 27 2.333 -7.629 -1.812 1.00 6.04 H new ATOM 0 HB3 ALA A 27 3.028 -6.164 -1.078 1.00 6.04 H new ATOM 30 N PHE A 28 5.553 -5.789 -4.063 1.00 3.64 N ATOM 31 CA PHE A 28 6.419 -4.696 -4.467 1.00 2.91 C ATOM 32 C PHE A 28 5.999 -4.157 -5.831 1.00 1.94 C ATOM 33 O PHE A 28 5.440 -4.887 -6.653 1.00 2.30 O ATOM 34 CB PHE A 28 7.876 -5.170 -4.508 1.00 3.48 C ATOM 35 CG PHE A 28 8.875 -4.054 -4.643 1.00 4.19 C ATOM 36 CD1 PHE A 28 9.416 -3.738 -5.880 1.00 4.76 C ATOM 37 CD2 PHE A 28 9.271 -3.321 -3.537 1.00 4.70 C ATOM 38 CE1 PHE A 28 10.333 -2.714 -6.011 1.00 5.72 C ATOM 39 CE2 PHE A 28 10.187 -2.296 -3.661 1.00 5.68 C ATOM 40 CZ PHE A 28 10.722 -1.994 -4.889 1.00 6.15 C ATOM 0 H PHE A 28 5.295 -6.427 -4.816 1.00 3.64 H new ATOM 0 HA PHE A 28 6.330 -3.891 -3.737 1.00 2.91 H new ATOM 0 HB2 PHE A 28 8.092 -5.730 -3.598 1.00 3.48 H new ATOM 0 HB3 PHE A 28 8.000 -5.859 -5.343 1.00 3.48 H new ATOM 0 HD1 PHE A 28 9.116 -4.300 -6.752 1.00 4.76 H new ATOM 0 HD2 PHE A 28 8.858 -3.554 -2.566 1.00 4.70 H new ATOM 0 HE1 PHE A 28 10.745 -2.474 -6.980 1.00 5.72 H new ATOM 0 HE2 PHE A 28 10.484 -1.730 -2.790 1.00 5.68 H new ATOM 0 HZ PHE A 28 11.445 -1.197 -4.982 1.00 6.15 H new ATOM 50 N GLY A 29 6.269 -2.881 -6.064 1.00 1.43 N ATOM 51 CA GLY A 29 5.927 -2.267 -7.328 1.00 0.99 C ATOM 52 C GLY A 29 4.550 -1.652 -7.308 1.00 0.78 C ATOM 53 O GLY A 29 4.325 -0.651 -6.634 1.00 1.00 O ATOM 0 H GLY A 29 6.721 -2.258 -5.395 1.00 1.43 H new ATOM 0 HA2 GLY A 29 6.663 -1.499 -7.568 1.00 0.99 H new ATOM 0 HA3 GLY A 29 5.978 -3.015 -8.119 1.00 0.99 H new ATOM 57 N ALA A 30 3.624 -2.258 -8.026 1.00 0.70 N ATOM 58 CA ALA A 30 2.288 -1.707 -8.149 1.00 0.54 C ATOM 59 C ALA A 30 1.249 -2.618 -7.506 1.00 0.49 C ATOM 60 O ALA A 30 0.973 -3.718 -7.987 1.00 0.60 O ATOM 61 CB ALA A 30 1.954 -1.471 -9.616 1.00 0.68 C ATOM 0 H ALA A 30 3.772 -3.131 -8.532 1.00 0.70 H new ATOM 0 HA ALA A 30 2.265 -0.754 -7.620 1.00 0.54 H new ATOM 0 HB1 ALA A 30 0.949 -1.057 -9.698 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.671 -0.771 -10.044 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.003 -2.416 -10.157 1.00 0.68 H new ATOM 67 N ILE A 31 0.701 -2.170 -6.395 1.00 0.40 N ATOM 68 CA ILE A 31 -0.385 -2.877 -5.750 1.00 0.39 C ATOM 69 C ILE A 31 -1.428 -1.892 -5.260 1.00 0.35 C ATOM 70 O ILE A 31 -1.101 -0.783 -4.848 1.00 0.36 O ATOM 71 CB ILE A 31 0.035 -3.658 -4.761 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.119 -4.380 -4.069 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.889 -2.880 -3.759 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.708 -5.168 -2.844 1.00 0.90 C ATOM 0 H ILE A 31 0.992 -1.316 -5.919 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.837 -3.534 -6.493 1.00 0.39 H new ATOM 0 HB ILE A 31 0.667 -4.425 -5.209 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.872 -3.646 -3.780 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.590 -5.057 -4.782 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.216 -3.549 -2.963 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.761 -2.467 -4.267 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.300 -2.068 -3.332 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.584 -5.651 -2.411 1.00 0.90 H new ATOM 0 HD12 ILE A 31 0.021 -5.927 -3.127 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.265 -4.495 -2.110 1.00 0.90 H new ATOM 86 N GLN A 32 -2.683 -2.252 -5.407 1.00 0.38 N ATOM 87 CA GLN A 32 -3.749 -1.398 -4.936 1.00 0.40 C ATOM 88 C GLN A 32 -4.508 -2.062 -3.810 1.00 0.37 C ATOM 89 O GLN A 32 -4.704 -3.283 -3.796 1.00 0.44 O ATOM 90 CB GLN A 32 -4.710 -0.999 -6.057 1.00 0.50 C ATOM 91 CG GLN A 32 -5.585 -2.118 -6.591 1.00 0.55 C ATOM 92 CD GLN A 32 -6.941 -1.610 -7.043 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.878 -1.533 -6.259 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.056 -1.270 -8.312 1.00 0.93 N ATOM 0 H GLN A 32 -2.989 -3.121 -5.844 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.283 -0.485 -4.564 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.354 -0.199 -5.693 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.128 -0.589 -6.883 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.082 -2.604 -7.427 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.720 -2.874 -5.817 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.253 -1.348 -8.936 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -7.948 -0.929 -8.670 1.00 0.93 H new ATOM 103 N LEU A 33 -4.916 -1.253 -2.863 1.00 0.34 N ATOM 104 CA LEU A 33 -5.718 -1.720 -1.754 1.00 0.36 C ATOM 105 C LEU A 33 -7.000 -0.916 -1.683 1.00 0.35 C ATOM 106 O LEU A 33 -7.082 0.187 -2.213 1.00 0.43 O ATOM 107 CB LEU A 33 -4.920 -1.655 -0.441 1.00 0.45 C ATOM 108 CG LEU A 33 -4.169 -0.346 -0.165 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.114 0.738 0.318 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.063 -0.580 0.850 1.00 0.71 C ATOM 0 H LEU A 33 -4.704 -0.256 -2.837 1.00 0.34 H new ATOM 0 HA LEU A 33 -5.983 -2.766 -1.910 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.607 -1.836 0.386 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.197 -2.471 -0.439 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.723 -0.007 -1.100 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.552 1.653 0.505 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -5.871 0.926 -0.443 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.598 0.415 1.239 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.537 0.356 1.038 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.495 -0.946 1.781 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.362 -1.318 0.460 1.00 0.71 H new ATOM 122 N ASP A 34 -8.009 -1.479 -1.065 1.00 0.35 N ATOM 123 CA ASP A 34 -9.283 -0.787 -0.945 1.00 0.45 C ATOM 124 C ASP A 34 -9.230 0.229 0.180 1.00 0.53 C ATOM 125 O ASP A 34 -8.390 0.146 1.077 1.00 0.58 O ATOM 126 CB ASP A 34 -10.451 -1.769 -0.747 1.00 0.55 C ATOM 127 CG ASP A 34 -10.279 -2.701 0.438 1.00 0.65 C ATOM 128 OD1 ASP A 34 -9.963 -2.223 1.544 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.494 -3.919 0.269 1.00 1.15 O ATOM 0 H ASP A 34 -7.981 -2.405 -0.639 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.463 -0.259 -1.882 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.372 -1.201 -0.619 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.568 -2.366 -1.652 1.00 0.55 H new ATOM 134 N GLY A 35 -10.123 1.201 0.114 1.00 0.67 N ATOM 135 CA GLY A 35 -10.184 2.235 1.129 1.00 0.84 C ATOM 136 C GLY A 35 -10.856 1.745 2.394 1.00 0.85 C ATOM 137 O GLY A 35 -11.344 2.536 3.201 1.00 1.20 O ATOM 0 H GLY A 35 -10.814 1.295 -0.630 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.175 2.575 1.362 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.728 3.095 0.739 1.00 0.84 H new ATOM 141 N ASP A 36 -10.873 0.433 2.551 1.00 0.69 N ATOM 142 CA ASP A 36 -11.490 -0.215 3.690 1.00 0.83 C ATOM 143 C ASP A 36 -10.407 -0.728 4.625 1.00 0.83 C ATOM 144 O ASP A 36 -10.576 -0.760 5.846 1.00 1.10 O ATOM 145 CB ASP A 36 -12.361 -1.367 3.193 1.00 0.89 C ATOM 146 CG ASP A 36 -13.268 -1.928 4.271 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.227 -1.232 4.676 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.018 -3.063 4.731 1.00 1.77 O ATOM 0 H ASP A 36 -10.455 -0.216 1.885 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.114 0.493 4.236 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -12.969 -1.022 2.357 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.720 -2.163 2.814 1.00 0.89 H new ATOM 153 N GLY A 37 -9.283 -1.120 4.035 1.00 0.67 N ATOM 154 CA GLY A 37 -8.141 -1.558 4.811 1.00 0.81 C ATOM 155 C GLY A 37 -7.611 -2.900 4.354 1.00 0.78 C ATOM 156 O GLY A 37 -6.779 -3.507 5.024 1.00 1.05 O ATOM 0 H GLY A 37 -9.144 -1.142 3.025 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.348 -0.813 4.737 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.422 -1.621 5.862 1.00 0.81 H new ATOM 160 N ASN A 38 -8.084 -3.366 3.212 1.00 0.61 N ATOM 161 CA ASN A 38 -7.703 -4.676 2.705 1.00 0.73 C ATOM 162 C ASN A 38 -7.006 -4.523 1.367 1.00 0.57 C ATOM 163 O ASN A 38 -7.196 -3.530 0.669 1.00 0.49 O ATOM 164 CB ASN A 38 -8.941 -5.560 2.531 1.00 0.95 C ATOM 165 CG ASN A 38 -9.969 -5.362 3.629 1.00 1.13 C ATOM 166 OD1 ASN A 38 -9.949 -6.045 4.655 1.00 1.57 O ATOM 167 ND2 ASN A 38 -10.872 -4.415 3.418 1.00 1.38 N ATOM 0 H ASN A 38 -8.735 -2.856 2.615 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.028 -5.144 3.421 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -9.401 -5.345 1.567 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -8.634 -6.606 2.512 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -11.588 -4.228 4.120 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -10.851 -3.874 2.554 1.00 1.38 H new ATOM 174 N ILE A 39 -6.187 -5.497 1.013 1.00 0.65 N ATOM 175 CA ILE A 39 -5.573 -5.509 -0.297 1.00 0.57 C ATOM 176 C ILE A 39 -6.642 -5.811 -1.343 1.00 0.59 C ATOM 177 O ILE A 39 -7.509 -6.658 -1.125 1.00 0.77 O ATOM 178 CB ILE A 39 -4.579 -6.391 -0.364 1.00 0.62 C ATOM 179 CG1 ILE A 39 -3.453 -6.021 0.602 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.033 -6.516 -1.787 1.00 0.61 C ATOM 181 CD1 ILE A 39 -2.857 -4.651 0.362 1.00 1.18 C ATOM 0 H ILE A 39 -5.935 -6.284 1.611 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.138 -4.529 -0.492 1.00 0.57 H new ATOM 0 HB ILE A 39 -4.986 -7.359 -0.072 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -3.835 -6.065 1.622 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -2.663 -6.768 0.525 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.223 -7.245 -1.803 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.830 -6.844 -2.455 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.657 -5.548 -2.119 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.066 -4.466 1.089 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.442 -4.606 -0.645 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -3.633 -3.893 0.469 1.00 1.18 H new ATOM 193 N LEU A 40 -6.617 -5.076 -2.440 1.00 0.51 N ATOM 194 CA LEU A 40 -7.654 -5.180 -3.443 1.00 0.61 C ATOM 195 C LEU A 40 -7.138 -6.003 -4.602 1.00 0.60 C ATOM 196 O LEU A 40 -7.621 -7.101 -4.870 1.00 0.72 O ATOM 197 CB LEU A 40 -8.046 -3.778 -3.916 1.00 0.66 C ATOM 198 CG LEU A 40 -9.398 -3.632 -4.635 1.00 1.07 C ATOM 199 CD1 LEU A 40 -9.471 -4.471 -5.907 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.548 -3.972 -3.697 1.00 1.54 C ATOM 0 H LEU A 40 -5.886 -4.399 -2.657 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.534 -5.667 -3.024 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.051 -3.118 -3.049 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.266 -3.417 -4.586 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.489 -2.588 -4.935 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.444 -4.334 -6.378 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -8.687 -4.156 -6.596 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -9.334 -5.523 -5.657 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.494 -3.862 -4.227 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.443 -5.000 -3.351 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -10.531 -3.298 -2.841 1.00 1.54 H new ATOM 212 N GLN A 41 -6.142 -5.467 -5.273 1.00 0.50 N ATOM 213 CA GLN A 41 -5.599 -6.111 -6.460 1.00 0.55 C ATOM 214 C GLN A 41 -4.095 -5.889 -6.566 1.00 0.46 C ATOM 215 O GLN A 41 -3.604 -4.778 -6.370 1.00 0.46 O ATOM 216 CB GLN A 41 -6.309 -5.584 -7.709 1.00 0.67 C ATOM 217 CG GLN A 41 -5.818 -6.200 -9.011 1.00 1.08 C ATOM 218 CD GLN A 41 -6.621 -5.744 -10.214 1.00 1.73 C ATOM 219 OE1 GLN A 41 -6.090 -5.627 -11.319 1.00 2.41 O ATOM 220 NE2 GLN A 41 -7.909 -5.498 -10.014 1.00 2.37 N ATOM 0 H GLN A 41 -5.689 -4.588 -5.021 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.771 -7.184 -6.379 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -7.378 -5.771 -7.612 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -6.178 -4.503 -7.759 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.770 -5.939 -9.159 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.869 -7.286 -8.936 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -8.310 -5.607 -9.083 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -8.498 -5.200 -10.792 1.00 2.37 H new ATOM 229 N TYR A 42 -3.375 -6.955 -6.874 1.00 0.57 N ATOM 230 CA TYR A 42 -1.927 -6.902 -7.002 1.00 0.58 C ATOM 231 C TYR A 42 -1.524 -7.145 -8.452 1.00 0.65 C ATOM 232 O TYR A 42 -1.833 -8.195 -9.018 1.00 0.79 O ATOM 233 CB TYR A 42 -1.291 -7.954 -6.085 1.00 0.71 C ATOM 234 CG TYR A 42 0.223 -7.970 -6.090 1.00 0.82 C ATOM 235 CD1 TYR A 42 0.923 -9.098 -6.497 1.00 1.09 C ATOM 236 CD2 TYR A 42 0.951 -6.849 -5.711 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.304 -9.111 -6.527 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.334 -6.854 -5.735 1.00 1.02 C ATOM 239 CZ TYR A 42 3.006 -8.009 -6.056 1.00 1.21 C ATOM 240 OH TYR A 42 4.384 -7.995 -6.187 1.00 1.42 O ATOM 0 H TYR A 42 -3.775 -7.878 -7.042 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.573 -5.915 -6.705 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.635 -7.782 -5.065 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.652 -8.939 -6.381 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.378 -9.981 -6.796 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.429 -5.959 -5.392 1.00 0.82 H new ATOM 0 HE1 TYR A 42 2.833 -9.970 -6.913 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.884 -5.954 -5.502 1.00 1.02 H new ATOM 0 HH TYR A 42 4.666 -7.148 -6.591 1.00 1.42 H new ATOM 250 N ASN A 43 -0.858 -6.171 -9.056 1.00 0.63 N ATOM 251 CA ASN A 43 -0.428 -6.286 -10.442 1.00 0.75 C ATOM 252 C ASN A 43 1.088 -6.278 -10.538 1.00 0.92 C ATOM 253 O ASN A 43 1.733 -5.237 -10.435 1.00 1.02 O ATOM 254 CB ASN A 43 -1.034 -5.180 -11.321 1.00 0.78 C ATOM 255 CG ASN A 43 -1.321 -3.895 -10.572 1.00 0.73 C ATOM 256 OD1 ASN A 43 -0.499 -2.989 -10.532 1.00 1.21 O ATOM 257 ND2 ASN A 43 -2.504 -3.804 -9.983 1.00 0.88 N ATOM 0 H ASN A 43 -0.603 -5.291 -8.607 1.00 0.63 H new ATOM 0 HA ASN A 43 -0.794 -7.241 -10.819 1.00 0.75 H new ATOM 0 HB2 ASN A 43 -0.351 -4.966 -12.143 1.00 0.78 H new ATOM 0 HB3 ASN A 43 -1.960 -5.547 -11.764 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.756 -2.957 -9.474 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -3.163 -4.581 -10.039 1.00 0.88 H new ATOM 264 N ALA A 44 1.651 -7.459 -10.718 1.00 1.13 N ATOM 265 CA ALA A 44 3.088 -7.607 -10.819 1.00 1.36 C ATOM 266 C ALA A 44 3.570 -7.200 -12.203 1.00 1.78 C ATOM 267 O ALA A 44 3.336 -7.909 -13.185 1.00 2.50 O ATOM 268 CB ALA A 44 3.496 -9.038 -10.508 1.00 2.05 C ATOM 0 H ALA A 44 1.130 -8.332 -10.797 1.00 1.13 H new ATOM 0 HA ALA A 44 3.557 -6.949 -10.087 1.00 1.36 H new ATOM 0 HB1 ALA A 44 4.579 -9.133 -10.588 1.00 2.05 H new ATOM 0 HB2 ALA A 44 3.183 -9.294 -9.496 1.00 2.05 H new ATOM 0 HB3 ALA A 44 3.019 -9.715 -11.217 1.00 2.05 H new ATOM 274 N ALA A 45 4.212 -6.040 -12.276 1.00 2.22 N ATOM 275 CA ALA A 45 4.786 -5.563 -13.524 1.00 3.09 C ATOM 276 C ALA A 45 5.805 -6.563 -14.048 1.00 3.52 C ATOM 277 O ALA A 45 6.679 -7.019 -13.303 1.00 3.90 O ATOM 278 CB ALA A 45 5.419 -4.194 -13.330 1.00 4.00 C ATOM 0 H ALA A 45 4.347 -5.413 -11.483 1.00 2.22 H new ATOM 0 HA ALA A 45 3.990 -5.465 -14.262 1.00 3.09 H new ATOM 0 HB1 ALA A 45 5.844 -3.852 -14.274 1.00 4.00 H new ATOM 0 HB2 ALA A 45 4.660 -3.486 -12.996 1.00 4.00 H new ATOM 0 HB3 ALA A 45 6.208 -4.261 -12.581 1.00 4.00 H new ATOM 284 N GLU A 46 5.670 -6.915 -15.319 1.00 4.02 N ATOM 285 CA GLU A 46 6.516 -7.927 -15.939 1.00 4.87 C ATOM 286 C GLU A 46 7.984 -7.510 -15.978 1.00 5.45 C ATOM 287 O GLU A 46 8.442 -6.880 -16.931 1.00 5.90 O ATOM 288 CB GLU A 46 6.043 -8.255 -17.356 1.00 5.61 C ATOM 289 CG GLU A 46 4.596 -8.712 -17.439 1.00 5.96 C ATOM 290 CD GLU A 46 3.625 -7.563 -17.607 1.00 6.73 C ATOM 291 OE1 GLU A 46 3.191 -6.984 -16.593 1.00 7.09 O ATOM 292 OE2 GLU A 46 3.280 -7.242 -18.763 1.00 7.21 O ATOM 0 H GLU A 46 4.975 -6.510 -15.947 1.00 4.02 H new ATOM 0 HA GLU A 46 6.431 -8.818 -15.316 1.00 4.87 H new ATOM 0 HB2 GLU A 46 6.170 -7.372 -17.983 1.00 5.61 H new ATOM 0 HB3 GLU A 46 6.683 -9.035 -17.769 1.00 5.61 H new ATOM 0 HG2 GLU A 46 4.485 -9.400 -18.277 1.00 5.96 H new ATOM 0 HG3 GLU A 46 4.343 -9.266 -16.535 1.00 5.96 H new ATOM 299 N GLY A 47 8.698 -7.839 -14.917 1.00 5.76 N ATOM 300 CA GLY A 47 10.138 -7.707 -14.898 1.00 6.54 C ATOM 301 C GLY A 47 10.771 -9.062 -14.707 1.00 6.69 C ATOM 302 O GLY A 47 11.941 -9.182 -14.337 1.00 6.97 O ATOM 0 H GLY A 47 8.297 -8.202 -14.052 1.00 5.76 H new ATOM 0 HA2 GLY A 47 10.484 -7.262 -15.831 1.00 6.54 H new ATOM 0 HA3 GLY A 47 10.441 -7.037 -14.093 1.00 6.54 H new ATOM 306 N ASP A 48 9.968 -10.087 -14.958 1.00 6.81 N ATOM 307 CA ASP A 48 10.370 -11.466 -14.752 1.00 7.22 C ATOM 308 C ASP A 48 10.242 -12.241 -16.050 1.00 7.49 C ATOM 309 O ASP A 48 9.443 -11.887 -16.922 1.00 7.74 O ATOM 310 CB ASP A 48 9.497 -12.122 -13.676 1.00 7.72 C ATOM 311 CG ASP A 48 9.539 -11.392 -12.349 1.00 8.18 C ATOM 312 OD1 ASP A 48 10.494 -11.610 -11.574 1.00 8.38 O ATOM 313 OD2 ASP A 48 8.617 -10.596 -12.076 1.00 8.59 O ATOM 0 H ASP A 48 9.017 -9.982 -15.311 1.00 6.81 H new ATOM 0 HA ASP A 48 11.409 -11.479 -14.422 1.00 7.22 H new ATOM 0 HB2 ASP A 48 8.466 -12.163 -14.028 1.00 7.72 H new ATOM 0 HB3 ASP A 48 9.825 -13.151 -13.528 1.00 7.72 H new ATOM 318 N ILE A 49 11.026 -13.295 -16.175 1.00 7.75 N ATOM 319 CA ILE A 49 10.978 -14.151 -17.353 1.00 8.31 C ATOM 320 C ILE A 49 9.918 -15.239 -17.154 1.00 8.64 C ATOM 321 O ILE A 49 10.228 -16.419 -16.962 1.00 9.15 O ATOM 322 CB ILE A 49 12.163 -14.700 -17.602 1.00 8.70 C ATOM 323 CG1 ILE A 49 13.272 -13.643 -17.545 1.00 8.59 C ATOM 324 CG2 ILE A 49 12.157 -15.381 -18.971 1.00 9.24 C ATOM 325 CD1 ILE A 49 14.654 -14.190 -17.824 1.00 9.12 C ATOM 0 H ILE A 49 11.708 -13.583 -15.473 1.00 7.75 H new ATOM 0 HA ILE A 49 10.712 -13.537 -18.214 1.00 8.31 H new ATOM 0 HB ILE A 49 12.359 -15.450 -16.836 1.00 8.70 H new ATOM 0 HG12 ILE A 49 13.050 -12.858 -18.268 1.00 8.59 H new ATOM 0 HG13 ILE A 49 13.268 -13.179 -16.559 1.00 8.59 H new ATOM 0 HG21 ILE A 49 13.134 -15.826 -19.160 1.00 9.24 H new ATOM 0 HG22 ILE A 49 11.395 -16.160 -18.987 1.00 9.24 H new ATOM 0 HG23 ILE A 49 11.938 -14.644 -19.743 1.00 9.24 H new ATOM 0 HD11 ILE A 49 15.384 -13.382 -17.765 1.00 9.12 H new ATOM 0 HD12 ILE A 49 14.899 -14.954 -17.086 1.00 9.12 H new ATOM 0 HD13 ILE A 49 14.677 -14.628 -18.822 1.00 9.12 H new ATOM 337 N THR A 50 8.662 -14.819 -17.192 1.00 8.56 N ATOM 338 CA THR A 50 7.537 -15.714 -16.999 1.00 9.03 C ATOM 339 C THR A 50 6.308 -15.165 -17.731 1.00 9.23 C ATOM 340 O THR A 50 6.358 -14.063 -18.281 1.00 9.50 O ATOM 341 CB THR A 50 7.280 -15.874 -15.703 1.00 9.31 C ATOM 342 OG1 THR A 50 6.260 -16.865 -15.509 1.00 9.41 O ATOM 343 CG2 THR A 50 6.861 -14.569 -15.037 1.00 9.82 C ATOM 0 H THR A 50 8.397 -13.848 -17.358 1.00 8.56 H new ATOM 0 HA THR A 50 7.788 -16.690 -17.413 1.00 9.03 H new ATOM 0 HB THR A 50 8.205 -16.208 -15.234 1.00 9.31 H new ATOM 0 HG1 THR A 50 6.085 -16.971 -14.551 1.00 9.41 H new ATOM 0 HG21 THR A 50 6.661 -14.747 -13.980 1.00 9.82 H new ATOM 0 HG22 THR A 50 7.662 -13.836 -15.136 1.00 9.82 H new ATOM 0 HG23 THR A 50 5.960 -14.188 -15.517 1.00 9.82 H new ATOM 351 N GLY A 51 5.227 -15.936 -17.763 1.00 9.30 N ATOM 352 CA GLY A 51 4.006 -15.485 -18.402 1.00 9.62 C ATOM 353 C GLY A 51 3.320 -14.401 -17.595 1.00 9.32 C ATOM 354 O GLY A 51 3.444 -13.212 -17.902 1.00 9.37 O ATOM 0 H GLY A 51 5.175 -16.870 -17.356 1.00 9.30 H new ATOM 0 HA2 GLY A 51 4.235 -15.108 -19.399 1.00 9.62 H new ATOM 0 HA3 GLY A 51 3.328 -16.329 -18.529 1.00 9.62 H new ATOM 358 N ARG A 52 2.584 -14.811 -16.575 1.00 9.21 N ATOM 359 CA ARG A 52 1.995 -13.879 -15.623 1.00 9.00 C ATOM 360 C ARG A 52 2.391 -14.272 -14.207 1.00 8.48 C ATOM 361 O ARG A 52 2.880 -15.380 -13.976 1.00 8.73 O ATOM 362 CB ARG A 52 0.465 -13.856 -15.714 1.00 9.54 C ATOM 363 CG ARG A 52 -0.096 -13.359 -17.036 1.00 10.23 C ATOM 364 CD ARG A 52 0.543 -12.050 -17.477 1.00 10.92 C ATOM 365 NE ARG A 52 0.639 -11.064 -16.400 1.00 11.43 N ATOM 366 CZ ARG A 52 0.941 -9.783 -16.606 1.00 12.12 C ATOM 367 NH1 ARG A 52 0.972 -9.293 -17.839 1.00 12.40 N ATOM 368 NH2 ARG A 52 1.167 -8.982 -15.575 1.00 12.72 N ATOM 0 H ARG A 52 2.378 -15.791 -16.383 1.00 9.21 H new ATOM 0 HA ARG A 52 2.370 -12.885 -15.868 1.00 9.00 H new ATOM 0 HB2 ARG A 52 0.091 -14.864 -15.535 1.00 9.54 H new ATOM 0 HB3 ARG A 52 0.079 -13.225 -14.913 1.00 9.54 H new ATOM 0 HG2 ARG A 52 0.064 -14.116 -17.804 1.00 10.23 H new ATOM 0 HG3 ARG A 52 -1.173 -13.222 -16.943 1.00 10.23 H new ATOM 0 HD2 ARG A 52 1.541 -12.253 -17.865 1.00 10.92 H new ATOM 0 HD3 ARG A 52 -0.038 -11.628 -18.297 1.00 10.92 H new ATOM 0 HE ARG A 52 0.466 -11.373 -15.443 1.00 11.43 H new ATOM 0 HH11 ARG A 52 0.764 -9.898 -18.634 1.00 12.40 H new ATOM 0 HH12 ARG A 52 1.204 -8.312 -17.992 1.00 12.40 H new ATOM 0 HH21 ARG A 52 1.110 -9.346 -14.624 1.00 12.72 H new ATOM 0 HH22 ARG A 52 1.398 -8.001 -15.732 1.00 12.72 H new ATOM 382 N ASP A 53 2.161 -13.375 -13.261 1.00 7.97 N ATOM 383 CA ASP A 53 2.422 -13.666 -11.861 1.00 7.57 C ATOM 384 C ASP A 53 1.164 -13.402 -11.040 1.00 7.11 C ATOM 385 O ASP A 53 0.936 -12.288 -10.574 1.00 6.96 O ATOM 386 CB ASP A 53 3.594 -12.827 -11.341 1.00 7.63 C ATOM 387 CG ASP A 53 4.066 -13.276 -9.973 1.00 7.90 C ATOM 388 OD1 ASP A 53 4.867 -12.551 -9.352 1.00 8.01 O ATOM 389 OD2 ASP A 53 3.611 -14.340 -9.498 1.00 8.24 O ATOM 0 H ASP A 53 1.794 -12.440 -13.438 1.00 7.97 H new ATOM 0 HA ASP A 53 2.695 -14.717 -11.763 1.00 7.57 H new ATOM 0 HB2 ASP A 53 4.423 -12.889 -12.046 1.00 7.63 H new ATOM 0 HB3 ASP A 53 3.294 -11.780 -11.293 1.00 7.63 H new ATOM 394 N PRO A 54 0.305 -14.423 -10.899 1.00 7.19 N ATOM 395 CA PRO A 54 -0.982 -14.298 -10.234 1.00 7.04 C ATOM 396 C PRO A 54 -0.953 -14.749 -8.776 1.00 6.40 C ATOM 397 O PRO A 54 -1.987 -15.116 -8.211 1.00 6.42 O ATOM 398 CB PRO A 54 -1.844 -15.245 -11.064 1.00 7.72 C ATOM 399 CG PRO A 54 -0.911 -16.333 -11.510 1.00 8.11 C ATOM 400 CD PRO A 54 0.498 -15.790 -11.406 1.00 7.77 C ATOM 0 HA PRO A 54 -1.331 -13.267 -10.187 1.00 7.04 H new ATOM 0 HB2 PRO A 54 -2.667 -15.649 -10.474 1.00 7.72 H new ATOM 0 HB3 PRO A 54 -2.286 -14.730 -11.917 1.00 7.72 H new ATOM 0 HG2 PRO A 54 -1.028 -17.219 -10.886 1.00 8.11 H new ATOM 0 HG3 PRO A 54 -1.132 -16.633 -12.534 1.00 8.11 H new ATOM 0 HD2 PRO A 54 1.109 -16.387 -10.728 1.00 7.77 H new ATOM 0 HD3 PRO A 54 1.001 -15.792 -12.373 1.00 7.77 H new ATOM 408 N LYS A 55 0.221 -14.721 -8.168 1.00 6.12 N ATOM 409 CA LYS A 55 0.360 -15.147 -6.784 1.00 5.80 C ATOM 410 C LYS A 55 0.688 -13.949 -5.902 1.00 5.33 C ATOM 411 O LYS A 55 1.015 -12.878 -6.413 1.00 5.67 O ATOM 412 CB LYS A 55 1.443 -16.227 -6.662 1.00 6.46 C ATOM 413 CG LYS A 55 2.864 -15.716 -6.876 1.00 7.19 C ATOM 414 CD LYS A 55 3.863 -16.863 -6.933 1.00 8.01 C ATOM 415 CE LYS A 55 3.741 -17.640 -8.234 1.00 8.64 C ATOM 416 NZ LYS A 55 4.265 -16.866 -9.389 1.00 9.24 N ATOM 0 H LYS A 55 1.088 -14.410 -8.607 1.00 6.12 H new ATOM 0 HA LYS A 55 -0.584 -15.576 -6.449 1.00 5.80 H new ATOM 0 HB2 LYS A 55 1.377 -16.681 -5.673 1.00 6.46 H new ATOM 0 HB3 LYS A 55 1.239 -17.014 -7.388 1.00 6.46 H new ATOM 0 HG2 LYS A 55 2.911 -15.144 -7.803 1.00 7.19 H new ATOM 0 HG3 LYS A 55 3.134 -15.036 -6.068 1.00 7.19 H new ATOM 0 HD2 LYS A 55 4.875 -16.471 -6.835 1.00 8.01 H new ATOM 0 HD3 LYS A 55 3.698 -17.534 -6.090 1.00 8.01 H new ATOM 0 HE2 LYS A 55 4.286 -18.580 -8.149 1.00 8.64 H new ATOM 0 HE3 LYS A 55 2.695 -17.893 -8.410 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 4.180 -17.435 -10.255 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 3.717 -15.989 -9.496 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 5.265 -16.632 -9.225 1.00 9.24 H new ATOM 430 N GLN A 56 0.575 -14.134 -4.587 1.00 4.97 N ATOM 431 CA GLN A 56 0.878 -13.081 -3.620 1.00 4.93 C ATOM 432 C GLN A 56 -0.151 -11.941 -3.723 1.00 4.31 C ATOM 433 O GLN A 56 0.101 -10.798 -3.337 1.00 4.54 O ATOM 434 CB GLN A 56 2.317 -12.586 -3.839 1.00 5.58 C ATOM 435 CG GLN A 56 2.809 -11.588 -2.808 1.00 6.20 C ATOM 436 CD GLN A 56 4.269 -11.243 -3.006 1.00 6.94 C ATOM 437 OE1 GLN A 56 5.153 -11.857 -2.406 1.00 7.39 O ATOM 438 NE2 GLN A 56 4.539 -10.277 -3.868 1.00 7.40 N ATOM 0 H GLN A 56 0.273 -15.012 -4.165 1.00 4.97 H new ATOM 0 HA GLN A 56 0.808 -13.479 -2.608 1.00 4.93 H new ATOM 0 HB2 GLN A 56 2.986 -13.446 -3.840 1.00 5.58 H new ATOM 0 HB3 GLN A 56 2.383 -12.130 -4.827 1.00 5.58 H new ATOM 0 HG2 GLN A 56 2.210 -10.679 -2.868 1.00 6.20 H new ATOM 0 HG3 GLN A 56 2.666 -11.999 -1.808 1.00 6.20 H new ATOM 0 HE21 GLN A 56 3.779 -9.792 -4.345 1.00 7.40 H new ATOM 0 HE22 GLN A 56 5.507 -10.017 -4.056 1.00 7.40 H new ATOM 447 N VAL A 57 -1.339 -12.281 -4.209 1.00 3.91 N ATOM 448 CA VAL A 57 -2.420 -11.316 -4.350 1.00 3.65 C ATOM 449 C VAL A 57 -3.249 -11.287 -3.059 1.00 2.70 C ATOM 450 O VAL A 57 -3.211 -12.249 -2.290 1.00 3.03 O ATOM 451 CB VAL A 57 -3.197 -11.612 -5.399 1.00 4.38 C ATOM 452 CG1 VAL A 57 -4.184 -10.492 -5.715 1.00 5.06 C ATOM 453 CG2 VAL A 57 -2.365 -11.932 -6.632 1.00 4.94 C ATOM 0 H VAL A 57 -1.578 -13.225 -4.514 1.00 3.91 H new ATOM 0 HA VAL A 57 -1.989 -10.330 -4.526 1.00 3.65 H new ATOM 0 HB VAL A 57 -3.768 -12.498 -5.121 1.00 4.38 H new ATOM 0 HG11 VAL A 57 -4.794 -10.776 -6.573 1.00 5.06 H new ATOM 0 HG12 VAL A 57 -4.828 -10.321 -4.853 1.00 5.06 H new ATOM 0 HG13 VAL A 57 -3.636 -9.578 -5.945 1.00 5.06 H new ATOM 0 HG21 VAL A 57 -3.026 -12.168 -7.466 1.00 4.94 H new ATOM 0 HG22 VAL A 57 -1.750 -11.070 -6.890 1.00 4.94 H new ATOM 0 HG23 VAL A 57 -1.722 -12.788 -6.425 1.00 4.94 H new ATOM 463 N ILE A 58 -3.927 -10.153 -2.802 1.00 2.02 N ATOM 464 CA ILE A 58 -4.800 -9.954 -1.628 1.00 1.38 C ATOM 465 C ILE A 58 -4.251 -10.595 -0.359 1.00 1.46 C ATOM 466 O ILE A 58 -4.852 -11.492 0.238 1.00 1.83 O ATOM 467 CB ILE A 58 -6.065 -10.328 -1.846 1.00 1.94 C ATOM 468 CG1 ILE A 58 -6.194 -11.778 -2.338 1.00 2.47 C ATOM 469 CG2 ILE A 58 -6.718 -9.379 -2.840 1.00 2.66 C ATOM 470 CD1 ILE A 58 -7.622 -12.216 -2.585 1.00 3.17 C ATOM 0 H ILE A 58 -3.884 -9.337 -3.412 1.00 2.02 H new ATOM 0 HA ILE A 58 -4.807 -8.876 -1.466 1.00 1.38 H new ATOM 0 HB ILE A 58 -6.578 -10.280 -0.886 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -5.625 -11.890 -3.261 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -5.742 -12.443 -1.602 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -7.749 -9.688 -3.015 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -6.706 -8.366 -2.438 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -6.168 -9.403 -3.781 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -7.631 -13.250 -2.930 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -8.192 -12.137 -1.659 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -8.073 -11.576 -3.344 1.00 3.17 H new ATOM 482 N GLY A 59 -3.115 -10.078 0.064 1.00 1.92 N ATOM 483 CA GLY A 59 -2.456 -10.592 1.244 1.00 2.81 C ATOM 484 C GLY A 59 -3.120 -10.131 2.524 1.00 2.70 C ATOM 485 O GLY A 59 -3.104 -10.839 3.530 1.00 3.24 O ATOM 0 H GLY A 59 -2.631 -9.304 -0.392 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -2.455 -11.681 1.211 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -1.414 -10.272 1.243 1.00 2.81 H new ATOM 489 N LYS A 60 -3.713 -8.946 2.489 1.00 2.08 N ATOM 490 CA LYS A 60 -4.341 -8.384 3.665 1.00 2.08 C ATOM 491 C LYS A 60 -5.855 -8.425 3.542 1.00 2.02 C ATOM 492 O LYS A 60 -6.405 -8.066 2.501 1.00 1.74 O ATOM 493 CB LYS A 60 -3.894 -6.942 3.839 1.00 1.96 C ATOM 494 CG LYS A 60 -4.525 -6.263 5.036 1.00 2.22 C ATOM 495 CD LYS A 60 -4.056 -4.831 5.202 1.00 2.80 C ATOM 496 CE LYS A 60 -2.564 -4.747 5.503 1.00 3.43 C ATOM 497 NZ LYS A 60 -2.210 -5.386 6.800 1.00 3.85 N ATOM 0 H LYS A 60 -3.770 -8.359 1.657 1.00 2.08 H new ATOM 0 HA LYS A 60 -4.043 -8.976 4.530 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -2.809 -6.915 3.944 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -4.142 -6.380 2.938 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -5.610 -6.277 4.928 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -4.287 -6.827 5.938 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -4.274 -4.271 4.293 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -4.615 -4.358 6.009 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -2.006 -5.229 4.700 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -2.258 -3.701 5.521 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -1.230 -5.144 7.050 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -2.852 -5.042 7.543 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -2.301 -6.418 6.715 1.00 3.85 H new ATOM 511 N ASN A 61 -6.516 -8.851 4.606 1.00 2.50 N ATOM 512 CA ASN A 61 -7.971 -8.838 4.667 1.00 2.76 C ATOM 513 C ASN A 61 -8.436 -8.863 6.114 1.00 3.11 C ATOM 514 O ASN A 61 -8.402 -9.911 6.760 1.00 3.53 O ATOM 515 CB ASN A 61 -8.567 -10.030 3.911 1.00 3.24 C ATOM 516 CG ASN A 61 -10.089 -10.016 3.904 1.00 3.68 C ATOM 517 OD1 ASN A 61 -10.710 -9.418 3.024 1.00 4.05 O ATOM 518 ND2 ASN A 61 -10.702 -10.685 4.872 1.00 4.18 N ATOM 0 H ASN A 61 -6.065 -9.213 5.446 1.00 2.50 H new ATOM 0 HA ASN A 61 -8.318 -7.921 4.191 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -8.202 -10.023 2.884 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -8.218 -10.956 4.367 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -11.721 -10.716 4.904 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -10.154 -11.168 5.584 1.00 4.18 H new ATOM 525 N PHE A 62 -8.829 -7.705 6.628 1.00 3.09 N ATOM 526 CA PHE A 62 -9.387 -7.620 7.971 1.00 3.55 C ATOM 527 C PHE A 62 -10.656 -8.460 8.087 1.00 4.05 C ATOM 528 O PHE A 62 -11.687 -8.136 7.494 1.00 4.38 O ATOM 529 CB PHE A 62 -9.693 -6.169 8.335 1.00 4.05 C ATOM 530 CG PHE A 62 -8.479 -5.362 8.703 1.00 4.80 C ATOM 531 CD1 PHE A 62 -7.925 -4.469 7.798 1.00 5.37 C ATOM 532 CD2 PHE A 62 -7.887 -5.503 9.946 1.00 5.28 C ATOM 533 CE1 PHE A 62 -6.801 -3.734 8.128 1.00 6.27 C ATOM 534 CE2 PHE A 62 -6.765 -4.769 10.281 1.00 6.21 C ATOM 535 CZ PHE A 62 -6.248 -3.856 9.398 1.00 6.66 C ATOM 0 H PHE A 62 -8.772 -6.813 6.136 1.00 3.09 H new ATOM 0 HA PHE A 62 -8.644 -8.011 8.666 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -10.192 -5.691 7.492 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -10.393 -6.155 9.170 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -8.376 -4.346 6.825 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -8.306 -6.194 10.662 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -6.355 -3.069 7.403 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -6.294 -4.915 11.242 1.00 6.21 H new ATOM 0 HZ PHE A 62 -5.414 -3.234 9.688 1.00 6.66 H new ATOM 545 N PHE A 63 -10.571 -9.541 8.844 1.00 4.57 N ATOM 546 CA PHE A 63 -11.703 -10.433 9.031 1.00 5.42 C ATOM 547 C PHE A 63 -12.057 -10.546 10.509 1.00 5.92 C ATOM 548 O PHE A 63 -13.176 -10.231 10.916 1.00 6.42 O ATOM 549 CB PHE A 63 -11.389 -11.816 8.451 1.00 6.08 C ATOM 550 CG PHE A 63 -12.500 -12.813 8.623 1.00 6.58 C ATOM 551 CD1 PHE A 63 -12.413 -13.812 9.577 1.00 7.21 C ATOM 552 CD2 PHE A 63 -13.637 -12.743 7.833 1.00 6.73 C ATOM 553 CE1 PHE A 63 -13.436 -14.724 9.741 1.00 7.98 C ATOM 554 CE2 PHE A 63 -14.663 -13.653 7.991 1.00 7.51 C ATOM 555 CZ PHE A 63 -14.544 -14.667 8.932 1.00 8.13 C ATOM 0 H PHE A 63 -9.726 -9.823 9.341 1.00 4.57 H new ATOM 0 HA PHE A 63 -12.561 -10.018 8.503 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -11.168 -11.712 7.389 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -10.489 -12.204 8.928 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -11.534 -13.879 10.201 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -13.721 -11.968 7.086 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -13.365 -15.483 10.506 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -15.554 -13.577 7.386 1.00 7.51 H new ATOM 0 HZ PHE A 63 -15.322 -15.410 9.028 1.00 8.13 H new ATOM 565 N LYS A 64 -11.093 -10.979 11.307 1.00 6.06 N ATOM 566 CA LYS A 64 -11.314 -11.180 12.731 1.00 6.71 C ATOM 567 C LYS A 64 -10.762 -10.004 13.534 1.00 6.68 C ATOM 568 O LYS A 64 -9.568 -9.708 13.496 1.00 6.92 O ATOM 569 CB LYS A 64 -10.692 -12.508 13.190 1.00 7.46 C ATOM 570 CG LYS A 64 -9.245 -12.697 12.756 1.00 8.15 C ATOM 571 CD LYS A 64 -8.699 -14.052 13.177 1.00 8.91 C ATOM 572 CE LYS A 64 -8.710 -14.214 14.688 1.00 9.51 C ATOM 573 NZ LYS A 64 -8.092 -15.494 15.115 1.00 10.05 N ATOM 0 H LYS A 64 -10.148 -11.198 10.992 1.00 6.06 H new ATOM 0 HA LYS A 64 -12.388 -11.231 12.911 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -10.745 -12.566 14.277 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -11.289 -13.332 12.798 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -9.175 -12.598 11.673 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -8.630 -11.908 13.188 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -9.295 -14.843 12.721 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -7.681 -14.166 12.806 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -8.174 -13.382 15.146 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -9.737 -14.169 15.050 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -8.120 -15.564 16.152 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -8.618 -16.289 14.700 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -7.104 -15.527 14.793 1.00 10.05 H new ATOM 587 N ASP A 65 -11.642 -9.344 14.272 1.00 6.69 N ATOM 588 CA ASP A 65 -11.280 -8.146 15.027 1.00 6.98 C ATOM 589 C ASP A 65 -10.802 -8.511 16.428 1.00 7.54 C ATOM 590 O ASP A 65 -10.921 -7.721 17.367 1.00 7.94 O ATOM 591 CB ASP A 65 -12.471 -7.185 15.105 1.00 7.04 C ATOM 592 CG ASP A 65 -13.601 -7.709 15.970 1.00 7.56 C ATOM 593 OD1 ASP A 65 -13.873 -7.101 17.030 1.00 7.91 O ATOM 594 OD2 ASP A 65 -14.227 -8.723 15.593 1.00 7.87 O ATOM 0 H ASP A 65 -12.620 -9.618 14.367 1.00 6.69 H new ATOM 0 HA ASP A 65 -10.462 -7.649 14.506 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -12.132 -6.227 15.500 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -12.847 -6.999 14.099 1.00 7.04 H new ATOM 599 N VAL A 66 -10.225 -9.702 16.549 1.00 7.81 N ATOM 600 CA VAL A 66 -9.694 -10.189 17.818 1.00 8.51 C ATOM 601 C VAL A 66 -8.664 -9.204 18.391 1.00 8.76 C ATOM 602 O VAL A 66 -8.582 -9.029 19.609 1.00 9.29 O ATOM 603 CB VAL A 66 -9.154 -11.403 17.669 1.00 8.83 C ATOM 604 CG1 VAL A 66 -7.959 -11.386 16.721 1.00 9.35 C ATOM 605 CG2 VAL A 66 -8.772 -12.014 19.012 1.00 8.99 C ATOM 0 H VAL A 66 -10.112 -10.355 15.774 1.00 7.81 H new ATOM 0 HA VAL A 66 -10.520 -10.267 18.525 1.00 8.51 H new ATOM 0 HB VAL A 66 -9.920 -12.033 17.218 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -7.552 -12.393 16.630 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -8.278 -11.033 15.740 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -7.192 -10.719 17.115 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -8.336 -13.000 18.852 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -8.045 -11.372 19.510 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -9.661 -12.107 19.636 1.00 8.99 H new ATOM 615 N ALA A 67 -7.968 -8.496 17.488 1.00 8.55 N ATOM 616 CA ALA A 67 -6.911 -7.552 17.844 1.00 8.92 C ATOM 617 C ALA A 67 -5.693 -8.291 18.384 1.00 9.09 C ATOM 618 O ALA A 67 -5.638 -8.656 19.559 1.00 9.14 O ATOM 619 CB ALA A 67 -7.397 -6.497 18.834 1.00 9.16 C ATOM 0 H ALA A 67 -8.129 -8.567 16.483 1.00 8.55 H new ATOM 0 HA ALA A 67 -6.621 -7.025 16.935 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -6.579 -5.816 19.071 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -8.220 -5.935 18.392 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -7.739 -6.985 19.747 1.00 9.16 H new ATOM 625 N PRO A 68 -4.713 -8.555 17.510 1.00 9.42 N ATOM 626 CA PRO A 68 -3.471 -9.229 17.891 1.00 9.81 C ATOM 627 C PRO A 68 -2.666 -8.395 18.879 1.00 10.00 C ATOM 628 O PRO A 68 -2.708 -7.164 18.841 1.00 10.26 O ATOM 629 CB PRO A 68 -2.706 -9.370 16.569 1.00 10.35 C ATOM 630 CG PRO A 68 -3.723 -9.157 15.499 1.00 10.29 C ATOM 631 CD PRO A 68 -4.739 -8.220 16.079 1.00 9.70 C ATOM 0 HA PRO A 68 -3.657 -10.183 18.384 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -1.903 -8.636 16.500 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -2.246 -10.355 16.484 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -3.266 -8.733 14.605 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -4.184 -10.100 15.205 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -4.474 -7.177 15.903 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -5.727 -8.376 15.645 1.00 9.70 H new ATOM 639 N CYS A 69 -1.930 -9.062 19.756 1.00 10.09 N ATOM 640 CA CYS A 69 -1.128 -8.364 20.749 1.00 10.43 C ATOM 641 C CYS A 69 0.057 -7.683 20.070 1.00 10.35 C ATOM 642 O CYS A 69 0.646 -6.744 20.605 1.00 10.58 O ATOM 643 CB CYS A 69 -0.637 -9.328 21.832 1.00 10.98 C ATOM 644 SG CYS A 69 -1.931 -10.410 22.528 1.00 11.49 S ATOM 0 H CYS A 69 -1.872 -10.079 19.800 1.00 10.09 H new ATOM 0 HA CYS A 69 -1.750 -7.608 21.228 1.00 10.43 H new ATOM 0 HB2 CYS A 69 0.153 -9.951 21.414 1.00 10.98 H new ATOM 0 HB3 CYS A 69 -0.192 -8.749 22.641 1.00 10.98 H new ATOM 649 N THR A 70 0.406 -8.175 18.889 1.00 10.23 N ATOM 650 CA THR A 70 1.449 -7.576 18.083 1.00 10.31 C ATOM 651 C THR A 70 1.006 -7.496 16.623 1.00 10.28 C ATOM 652 O THR A 70 0.438 -8.451 16.089 1.00 10.36 O ATOM 653 CB THR A 70 2.576 -8.266 18.163 1.00 10.47 C ATOM 654 OG1 THR A 70 2.859 -8.569 19.541 1.00 10.95 O ATOM 655 CG2 THR A 70 3.745 -7.498 17.565 1.00 10.51 C ATOM 0 H THR A 70 -0.027 -8.997 18.468 1.00 10.23 H new ATOM 0 HA THR A 70 1.630 -6.572 18.468 1.00 10.31 H new ATOM 0 HB THR A 70 2.447 -9.187 17.594 1.00 10.47 H new ATOM 0 HG1 THR A 70 3.693 -9.081 19.599 1.00 10.95 H new ATOM 0 HG21 THR A 70 4.653 -8.095 17.648 1.00 10.51 H new ATOM 0 HG22 THR A 70 3.543 -7.289 16.514 1.00 10.51 H new ATOM 0 HG23 THR A 70 3.877 -6.559 18.103 1.00 10.51 H new ATOM 663 N ASP A 71 1.204 -6.337 16.010 1.00 10.38 N ATOM 664 CA ASP A 71 0.904 -6.141 14.597 1.00 10.55 C ATOM 665 C ASP A 71 1.637 -4.901 14.107 1.00 10.46 C ATOM 666 O ASP A 71 1.953 -4.011 14.900 1.00 10.82 O ATOM 667 CB ASP A 71 -0.608 -5.998 14.356 1.00 11.00 C ATOM 668 CG ASP A 71 -1.159 -4.656 14.797 1.00 11.33 C ATOM 669 OD1 ASP A 71 -1.258 -4.427 16.020 1.00 11.56 O ATOM 670 OD2 ASP A 71 -1.491 -3.823 13.930 1.00 11.54 O ATOM 0 H ASP A 71 1.576 -5.509 16.475 1.00 10.38 H new ATOM 0 HA ASP A 71 1.239 -7.017 14.041 1.00 10.55 H new ATOM 0 HB2 ASP A 71 -0.815 -6.138 13.295 1.00 11.00 H new ATOM 0 HB3 ASP A 71 -1.131 -6.791 14.890 1.00 11.00 H new ATOM 675 N SER A 72 1.920 -4.838 12.816 1.00 10.16 N ATOM 676 CA SER A 72 2.713 -3.743 12.278 1.00 10.18 C ATOM 677 C SER A 72 2.220 -3.297 10.901 1.00 9.81 C ATOM 678 O SER A 72 2.663 -3.813 9.872 1.00 9.67 O ATOM 679 CB SER A 72 4.183 -4.165 12.218 1.00 10.51 C ATOM 680 OG SER A 72 4.312 -5.485 11.708 1.00 10.96 O ATOM 0 H SER A 72 1.616 -5.525 12.126 1.00 10.16 H new ATOM 0 HA SER A 72 2.605 -2.885 12.942 1.00 10.18 H new ATOM 0 HB2 SER A 72 4.739 -3.471 11.587 1.00 10.51 H new ATOM 0 HB3 SER A 72 4.622 -4.111 13.214 1.00 10.51 H new ATOM 0 HG SER A 72 3.867 -5.544 10.837 1.00 10.96 H new ATOM 686 N PRO A 73 1.268 -2.351 10.865 1.00 9.90 N ATOM 687 CA PRO A 73 0.809 -1.735 9.627 1.00 9.80 C ATOM 688 C PRO A 73 1.764 -0.634 9.175 1.00 9.46 C ATOM 689 O PRO A 73 1.776 0.465 9.738 1.00 9.61 O ATOM 690 CB PRO A 73 -0.565 -1.145 9.988 1.00 10.31 C ATOM 691 CG PRO A 73 -0.796 -1.474 11.433 1.00 10.68 C ATOM 692 CD PRO A 73 0.544 -1.817 12.020 1.00 10.39 C ATOM 0 HA PRO A 73 0.759 -2.448 8.804 1.00 9.80 H new ATOM 0 HB2 PRO A 73 -0.580 -0.067 9.827 1.00 10.31 H new ATOM 0 HB3 PRO A 73 -1.348 -1.572 9.362 1.00 10.31 H new ATOM 0 HG2 PRO A 73 -1.242 -0.628 11.956 1.00 10.68 H new ATOM 0 HG3 PRO A 73 -1.487 -2.311 11.533 1.00 10.68 H new ATOM 0 HD2 PRO A 73 1.039 -0.942 12.440 1.00 10.39 H new ATOM 0 HD3 PRO A 73 0.460 -2.551 12.821 1.00 10.39 H new ATOM 700 N GLU A 74 2.569 -0.938 8.172 1.00 9.22 N ATOM 701 CA GLU A 74 3.592 -0.018 7.704 1.00 9.06 C ATOM 702 C GLU A 74 3.211 0.535 6.329 1.00 8.23 C ATOM 703 O GLU A 74 2.251 0.056 5.716 1.00 8.21 O ATOM 704 CB GLU A 74 4.946 -0.747 7.654 1.00 9.74 C ATOM 705 CG GLU A 74 6.145 0.163 7.421 1.00 10.53 C ATOM 706 CD GLU A 74 6.221 1.299 8.420 1.00 11.29 C ATOM 707 OE1 GLU A 74 6.887 1.141 9.467 1.00 11.57 O ATOM 708 OE2 GLU A 74 5.611 2.357 8.160 1.00 11.76 O ATOM 0 H GLU A 74 2.534 -1.821 7.663 1.00 9.22 H new ATOM 0 HA GLU A 74 3.674 0.824 8.392 1.00 9.06 H new ATOM 0 HB2 GLU A 74 5.090 -1.284 8.592 1.00 9.74 H new ATOM 0 HB3 GLU A 74 4.913 -1.494 6.861 1.00 9.74 H new ATOM 0 HG2 GLU A 74 7.060 -0.427 7.478 1.00 10.53 H new ATOM 0 HG3 GLU A 74 6.093 0.574 6.413 1.00 10.53 H new ATOM 715 N PHE A 75 3.953 1.553 5.875 1.00 7.77 N ATOM 716 CA PHE A 75 3.754 2.178 4.561 1.00 7.11 C ATOM 717 C PHE A 75 2.535 3.099 4.549 1.00 6.04 C ATOM 718 O PHE A 75 1.960 3.381 3.499 1.00 6.09 O ATOM 719 CB PHE A 75 3.660 1.128 3.446 1.00 7.64 C ATOM 720 CG PHE A 75 4.978 0.479 3.125 1.00 8.33 C ATOM 721 CD1 PHE A 75 5.304 -0.755 3.668 1.00 8.82 C ATOM 722 CD2 PHE A 75 5.885 1.096 2.277 1.00 8.70 C ATOM 723 CE1 PHE A 75 6.511 -1.360 3.372 1.00 9.64 C ATOM 724 CE2 PHE A 75 7.093 0.496 1.980 1.00 9.54 C ATOM 725 CZ PHE A 75 7.422 -0.707 2.534 1.00 10.00 C ATOM 0 H PHE A 75 4.713 1.969 6.413 1.00 7.77 H new ATOM 0 HA PHE A 75 4.632 2.793 4.367 1.00 7.11 H new ATOM 0 HB2 PHE A 75 2.947 0.358 3.741 1.00 7.64 H new ATOM 0 HB3 PHE A 75 3.266 1.599 2.545 1.00 7.64 H new ATOM 0 HD1 PHE A 75 4.607 -1.248 4.329 1.00 8.82 H new ATOM 0 HD2 PHE A 75 5.644 2.056 1.844 1.00 8.70 H new ATOM 0 HE1 PHE A 75 6.749 -2.329 3.784 1.00 9.64 H new ATOM 0 HE2 PHE A 75 7.782 0.982 1.305 1.00 9.54 H new ATOM 0 HZ PHE A 75 8.383 -1.154 2.326 1.00 10.00 H new ATOM 735 N TYR A 76 2.161 3.578 5.727 1.00 5.40 N ATOM 736 CA TYR A 76 1.140 4.610 5.851 1.00 4.59 C ATOM 737 C TYR A 76 1.701 5.948 5.376 1.00 3.79 C ATOM 738 O TYR A 76 2.760 6.371 5.841 1.00 3.92 O ATOM 739 CB TYR A 76 0.698 4.734 7.314 1.00 4.75 C ATOM 740 CG TYR A 76 -0.640 4.101 7.627 1.00 5.22 C ATOM 741 CD1 TYR A 76 -0.765 2.720 7.686 1.00 5.71 C ATOM 742 CD2 TYR A 76 -1.776 4.873 7.852 1.00 5.53 C ATOM 743 CE1 TYR A 76 -1.980 2.122 7.957 1.00 6.42 C ATOM 744 CE2 TYR A 76 -2.996 4.281 8.127 1.00 6.25 C ATOM 745 CZ TYR A 76 -3.109 2.966 8.231 1.00 6.65 C ATOM 746 OH TYR A 76 -4.299 2.306 8.452 1.00 7.53 O ATOM 0 H TYR A 76 2.552 3.266 6.616 1.00 5.40 H new ATOM 0 HA TYR A 76 0.282 4.336 5.237 1.00 4.59 H new ATOM 0 HB2 TYR A 76 1.458 4.278 7.949 1.00 4.75 H new ATOM 0 HB3 TYR A 76 0.655 5.791 7.578 1.00 4.75 H new ATOM 0 HD1 TYR A 76 0.104 2.102 7.517 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -1.704 5.950 7.811 1.00 5.53 H new ATOM 0 HE1 TYR A 76 -2.079 1.047 7.963 1.00 6.42 H new ATOM 0 HE2 TYR A 76 -3.870 4.902 8.259 1.00 6.25 H new ATOM 0 HH TYR A 76 -5.007 2.959 8.630 1.00 7.53 H new ATOM 756 N GLY A 77 1.013 6.612 4.449 1.00 3.20 N ATOM 757 CA GLY A 77 1.457 7.921 4.030 1.00 2.71 C ATOM 758 C GLY A 77 0.491 8.969 4.504 1.00 1.94 C ATOM 759 O GLY A 77 0.711 9.627 5.521 1.00 2.44 O ATOM 0 H GLY A 77 0.169 6.269 3.990 1.00 3.20 H new ATOM 0 HA2 GLY A 77 2.450 8.123 4.431 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.539 7.955 2.944 1.00 2.71 H new ATOM 763 N LYS A 78 -0.594 9.104 3.771 1.00 1.39 N ATOM 764 CA LYS A 78 -1.720 9.903 4.202 1.00 1.29 C ATOM 765 C LYS A 78 -2.972 9.068 4.037 1.00 1.03 C ATOM 766 O LYS A 78 -3.854 9.411 3.264 1.00 1.02 O ATOM 767 CB LYS A 78 -1.839 11.187 3.374 1.00 2.10 C ATOM 768 CG LYS A 78 -0.599 12.062 3.409 1.00 2.61 C ATOM 769 CD LYS A 78 -0.812 13.350 2.629 1.00 3.18 C ATOM 770 CE LYS A 78 -1.857 14.236 3.291 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.357 14.832 4.557 1.00 4.14 N ATOM 0 H LYS A 78 -0.720 8.663 2.860 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.581 10.195 5.243 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -2.054 10.921 2.339 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.689 11.764 3.738 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.346 12.298 4.443 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.246 11.516 2.990 1.00 2.61 H new ATOM 0 HD2 LYS A 78 0.131 13.891 2.554 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -1.125 13.113 1.612 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -2.146 15.032 2.604 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -2.753 13.650 3.495 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -2.043 15.532 4.906 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -1.234 14.083 5.268 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.444 15.299 4.384 1.00 4.14 H new ATOM 785 N PHE A 79 -3.030 7.947 4.745 1.00 0.95 N ATOM 786 CA PHE A 79 -4.100 6.988 4.532 1.00 0.77 C ATOM 787 C PHE A 79 -5.318 7.336 5.368 1.00 0.70 C ATOM 788 O PHE A 79 -6.460 7.198 4.889 1.00 0.64 O ATOM 789 CB PHE A 79 -3.641 5.561 4.837 1.00 0.88 C ATOM 790 CG PHE A 79 -4.586 4.525 4.293 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.453 3.833 5.125 1.00 0.86 C ATOM 792 CD2 PHE A 79 -4.620 4.267 2.935 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.334 2.901 4.605 1.00 0.85 C ATOM 794 CE2 PHE A 79 -5.493 3.338 2.412 1.00 0.84 C ATOM 795 CZ PHE A 79 -6.353 2.654 3.246 1.00 0.82 C ATOM 0 H PHE A 79 -2.356 7.684 5.463 1.00 0.95 H new ATOM 0 HA PHE A 79 -4.375 7.039 3.479 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.650 5.403 4.413 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.550 5.435 5.916 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.441 4.023 6.188 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.953 4.801 2.275 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -7.006 2.367 5.261 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -5.504 3.145 1.349 1.00 0.84 H new ATOM 0 HZ PHE A 79 -7.039 1.927 2.837 1.00 0.82 H new ATOM 805 N LYS A 80 -5.080 7.818 6.603 1.00 0.82 N ATOM 806 CA LYS A 80 -6.182 8.174 7.489 1.00 0.89 C ATOM 807 C LYS A 80 -6.887 9.380 6.912 1.00 0.81 C ATOM 808 O LYS A 80 -8.101 9.546 7.029 1.00 0.87 O ATOM 809 CB LYS A 80 -5.681 8.485 8.901 1.00 1.12 C ATOM 810 CG LYS A 80 -4.996 7.312 9.577 1.00 1.66 C ATOM 811 CD LYS A 80 -4.593 7.627 11.012 1.00 2.17 C ATOM 812 CE LYS A 80 -3.391 8.565 11.100 1.00 2.87 C ATOM 813 NZ LYS A 80 -3.722 9.971 10.743 1.00 3.48 N ATOM 0 H LYS A 80 -4.150 7.964 6.996 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.869 7.331 7.563 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.985 9.323 8.854 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.524 8.805 9.514 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -5.664 6.451 9.570 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -4.110 7.033 9.006 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.439 8.079 11.531 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -4.361 6.697 11.531 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -2.990 8.538 12.113 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -2.606 8.203 10.437 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -3.224 10.619 11.386 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -3.426 10.160 9.764 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -4.748 10.119 10.829 1.00 3.48 H new ATOM 827 N GLU A 81 -6.091 10.196 6.256 1.00 0.78 N ATOM 828 CA GLU A 81 -6.556 11.384 5.596 1.00 0.78 C ATOM 829 C GLU A 81 -7.106 11.009 4.237 1.00 0.62 C ATOM 830 O GLU A 81 -8.132 11.512 3.818 1.00 0.64 O ATOM 831 CB GLU A 81 -5.398 12.375 5.423 1.00 0.96 C ATOM 832 CG GLU A 81 -4.711 12.788 6.723 1.00 1.53 C ATOM 833 CD GLU A 81 -3.964 11.654 7.423 1.00 2.31 C ATOM 834 OE1 GLU A 81 -3.568 10.672 6.752 1.00 3.07 O ATOM 835 OE2 GLU A 81 -3.764 11.744 8.653 1.00 2.63 O ATOM 0 H GLU A 81 -5.086 10.045 6.168 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.336 11.852 6.197 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.655 11.932 4.760 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -5.775 13.270 4.927 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -4.009 13.594 6.510 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.460 13.190 7.405 1.00 1.53 H new ATOM 842 N GLY A 82 -6.421 10.073 3.590 1.00 0.55 N ATOM 843 CA GLY A 82 -6.726 9.675 2.243 1.00 0.47 C ATOM 844 C GLY A 82 -8.161 9.252 2.082 1.00 0.46 C ATOM 845 O GLY A 82 -8.805 9.531 1.068 1.00 0.49 O ATOM 0 H GLY A 82 -5.633 9.571 4.000 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.516 10.503 1.566 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -6.073 8.852 1.953 1.00 0.47 H new ATOM 849 N VAL A 83 -8.650 8.575 3.100 1.00 0.51 N ATOM 850 CA VAL A 83 -10.016 8.090 3.121 1.00 0.61 C ATOM 851 C VAL A 83 -11.000 9.249 3.238 1.00 0.70 C ATOM 852 O VAL A 83 -11.917 9.385 2.427 1.00 0.79 O ATOM 853 CB VAL A 83 -10.199 7.262 4.136 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.633 6.742 4.169 1.00 0.85 C ATOM 855 CG2 VAL A 83 -9.225 6.098 4.082 1.00 0.69 C ATOM 0 H VAL A 83 -8.113 8.345 3.936 1.00 0.51 H new ATOM 0 HA VAL A 83 -10.195 7.561 2.185 1.00 0.61 H new ATOM 0 HB VAL A 83 -10.012 7.825 5.050 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.755 6.064 5.013 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -12.322 7.580 4.275 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.849 6.210 3.242 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.402 5.436 4.930 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -9.370 5.545 3.154 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -8.204 6.476 4.124 1.00 0.69 H new ATOM 865 N ALA A 84 -10.770 10.116 4.217 1.00 0.76 N ATOM 866 CA ALA A 84 -11.754 11.127 4.569 1.00 0.94 C ATOM 867 C ALA A 84 -11.594 12.392 3.752 1.00 0.88 C ATOM 868 O ALA A 84 -12.546 13.158 3.596 1.00 1.07 O ATOM 869 CB ALA A 84 -11.699 11.430 6.057 1.00 1.12 C ATOM 0 H ALA A 84 -9.917 10.138 4.776 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.737 10.719 4.332 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.442 12.189 6.302 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.909 10.521 6.621 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.706 11.798 6.317 1.00 1.12 H new ATOM 875 N SER A 85 -10.404 12.616 3.235 1.00 0.76 N ATOM 876 CA SER A 85 -10.196 13.707 2.306 1.00 0.84 C ATOM 877 C SER A 85 -10.818 13.311 0.976 1.00 0.94 C ATOM 878 O SER A 85 -11.354 14.140 0.242 1.00 1.22 O ATOM 879 CB SER A 85 -8.700 14.019 2.143 1.00 1.19 C ATOM 880 OG SER A 85 -8.013 12.959 1.492 1.00 1.88 O ATOM 0 H SER A 85 -9.572 12.062 3.440 1.00 0.76 H new ATOM 0 HA SER A 85 -10.667 14.614 2.685 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.580 14.938 1.569 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.255 14.194 3.123 1.00 1.19 H new ATOM 0 HG SER A 85 -7.887 12.217 2.120 1.00 1.88 H new ATOM 886 N GLY A 86 -10.759 12.013 0.690 1.00 0.96 N ATOM 887 CA GLY A 86 -11.372 11.487 -0.506 1.00 1.46 C ATOM 888 C GLY A 86 -10.480 11.679 -1.702 1.00 1.21 C ATOM 889 O GLY A 86 -10.930 11.624 -2.846 1.00 1.66 O ATOM 0 H GLY A 86 -10.294 11.317 1.272 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.584 10.426 -0.373 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.327 11.984 -0.677 1.00 1.46 H new ATOM 893 N ASN A 87 -9.204 11.899 -1.433 1.00 0.66 N ATOM 894 CA ASN A 87 -8.246 12.169 -2.497 1.00 0.67 C ATOM 895 C ASN A 87 -6.833 11.770 -2.108 1.00 0.52 C ATOM 896 O ASN A 87 -5.891 12.547 -2.226 1.00 0.72 O ATOM 897 CB ASN A 87 -8.297 13.645 -2.933 1.00 0.95 C ATOM 898 CG ASN A 87 -8.033 14.631 -1.805 1.00 1.40 C ATOM 899 OD1 ASN A 87 -6.891 14.998 -1.532 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.092 15.087 -1.156 1.00 1.72 N ATOM 0 H ASN A 87 -8.807 11.897 -0.493 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.536 11.552 -3.347 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.563 13.806 -3.722 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.277 13.853 -3.362 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.976 15.765 -0.403 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.025 14.761 -1.409 1.00 1.72 H new ATOM 907 N LEU A 88 -6.693 10.539 -1.665 1.00 0.40 N ATOM 908 CA LEU A 88 -5.387 9.974 -1.374 1.00 0.32 C ATOM 909 C LEU A 88 -4.567 9.798 -2.644 1.00 0.30 C ATOM 910 O LEU A 88 -4.595 8.741 -3.262 1.00 0.34 O ATOM 911 CB LEU A 88 -5.533 8.623 -0.702 1.00 0.37 C ATOM 912 CG LEU A 88 -4.503 8.350 0.370 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.765 7.011 1.031 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.087 8.405 -0.182 1.00 0.48 C ATOM 0 H LEU A 88 -7.473 9.903 -1.496 1.00 0.40 H new ATOM 0 HA LEU A 88 -4.874 10.669 -0.709 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.527 8.555 -0.261 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.467 7.843 -1.461 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.594 9.136 1.120 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.014 6.832 1.800 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.755 7.017 1.486 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.715 6.220 0.283 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.376 8.204 0.619 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -2.973 7.656 -0.965 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.896 9.395 -0.596 1.00 0.48 H new ATOM 926 N ASN A 89 -3.865 10.831 -3.048 1.00 0.32 N ATOM 927 CA ASN A 89 -2.955 10.710 -4.171 1.00 0.34 C ATOM 928 C ASN A 89 -1.719 11.575 -3.930 1.00 0.40 C ATOM 929 O ASN A 89 -1.759 12.797 -4.058 1.00 0.50 O ATOM 930 CB ASN A 89 -3.674 11.046 -5.495 1.00 0.41 C ATOM 931 CG ASN A 89 -3.990 12.522 -5.689 1.00 1.12 C ATOM 932 OD1 ASN A 89 -3.235 13.252 -6.333 1.00 2.01 O ATOM 933 ND2 ASN A 89 -5.101 12.974 -5.131 1.00 1.62 N ATOM 0 H ASN A 89 -3.903 11.757 -2.623 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.617 9.678 -4.259 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.054 10.709 -6.325 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.604 10.480 -5.542 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -5.357 13.957 -5.227 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -5.702 12.340 -4.605 1.00 1.62 H new ATOM 940 N THR A 90 -0.626 10.949 -3.505 1.00 0.39 N ATOM 941 CA THR A 90 0.598 11.673 -3.222 1.00 0.50 C ATOM 942 C THR A 90 1.806 10.788 -3.511 1.00 0.55 C ATOM 943 O THR A 90 1.718 9.561 -3.414 1.00 0.69 O ATOM 944 CB THR A 90 0.634 12.075 -1.947 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.555 12.813 -1.625 1.00 1.67 O ATOM 946 CG2 THR A 90 1.846 12.941 -1.640 1.00 1.22 C ATOM 0 H THR A 90 -0.568 9.942 -3.351 1.00 0.39 H new ATOM 0 HA THR A 90 0.626 12.553 -3.864 1.00 0.50 H new ATOM 0 HB THR A 90 0.701 11.173 -1.339 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.518 13.101 -0.689 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.824 13.239 -0.592 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.757 12.376 -1.838 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.827 13.830 -2.270 1.00 1.22 H new ATOM 954 N MET A 91 2.896 11.397 -3.957 1.00 0.72 N ATOM 955 CA MET A 91 4.170 10.705 -4.009 1.00 1.00 C ATOM 956 C MET A 91 4.983 11.095 -2.789 1.00 0.88 C ATOM 957 O MET A 91 5.363 12.255 -2.614 1.00 0.92 O ATOM 958 CB MET A 91 4.941 11.014 -5.297 1.00 1.53 C ATOM 959 CG MET A 91 5.057 12.496 -5.615 1.00 2.33 C ATOM 960 SD MET A 91 6.035 12.816 -7.093 1.00 3.24 S ATOM 961 CE MET A 91 7.618 12.145 -6.591 1.00 3.94 C ATOM 0 H MET A 91 2.921 12.362 -4.285 1.00 0.72 H new ATOM 0 HA MET A 91 3.985 9.631 -4.009 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.943 10.592 -5.217 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.449 10.513 -6.131 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.059 12.914 -5.747 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.509 13.011 -4.767 1.00 2.33 H new ATOM 0 HE1 MET A 91 8.413 12.617 -7.168 1.00 3.94 H new ATOM 0 HE2 MET A 91 7.776 12.339 -5.530 1.00 3.94 H new ATOM 0 HE3 MET A 91 7.630 11.070 -6.769 1.00 3.94 H new ATOM 971 N PHE A 92 5.231 10.123 -1.945 1.00 0.98 N ATOM 972 CA PHE A 92 5.894 10.353 -0.681 1.00 1.01 C ATOM 973 C PHE A 92 7.152 9.515 -0.613 1.00 0.90 C ATOM 974 O PHE A 92 7.112 8.322 -0.869 1.00 0.85 O ATOM 975 CB PHE A 92 4.941 9.984 0.463 1.00 1.24 C ATOM 976 CG PHE A 92 5.497 10.207 1.844 1.00 1.49 C ATOM 977 CD1 PHE A 92 5.385 11.442 2.458 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.116 9.175 2.531 1.00 1.58 C ATOM 979 CE1 PHE A 92 5.884 11.644 3.732 1.00 2.47 C ATOM 980 CE2 PHE A 92 6.618 9.372 3.801 1.00 2.01 C ATOM 981 CZ PHE A 92 6.502 10.608 4.404 1.00 2.46 C ATOM 0 H PHE A 92 4.979 9.149 -2.114 1.00 0.98 H new ATOM 0 HA PHE A 92 6.168 11.404 -0.589 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.026 10.566 0.357 1.00 1.24 H new ATOM 0 HB3 PHE A 92 4.665 8.934 0.363 1.00 1.24 H new ATOM 0 HD1 PHE A 92 4.903 12.256 1.937 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.207 8.204 2.066 1.00 1.58 H new ATOM 0 HE1 PHE A 92 5.790 12.612 4.201 1.00 2.47 H new ATOM 0 HE2 PHE A 92 7.101 8.559 4.323 1.00 2.01 H new ATOM 0 HZ PHE A 92 6.893 10.764 5.398 1.00 2.46 H new ATOM 991 N GLU A 93 8.263 10.127 -0.275 1.00 0.98 N ATOM 992 CA GLU A 93 9.486 9.375 -0.106 1.00 0.97 C ATOM 993 C GLU A 93 9.586 8.939 1.344 1.00 1.21 C ATOM 994 O GLU A 93 9.638 9.776 2.256 1.00 1.50 O ATOM 995 CB GLU A 93 10.718 10.197 -0.497 1.00 1.18 C ATOM 996 CG GLU A 93 10.825 10.524 -1.982 1.00 1.33 C ATOM 997 CD GLU A 93 9.807 11.545 -2.448 1.00 1.57 C ATOM 998 OE1 GLU A 93 9.217 11.353 -3.533 1.00 1.97 O ATOM 999 OE2 GLU A 93 9.572 12.528 -1.720 1.00 1.92 O ATOM 0 H GLU A 93 8.347 11.131 -0.113 1.00 0.98 H new ATOM 0 HA GLU A 93 9.459 8.507 -0.764 1.00 0.97 H new ATOM 0 HB2 GLU A 93 10.708 11.130 0.066 1.00 1.18 H new ATOM 0 HB3 GLU A 93 11.612 9.652 -0.194 1.00 1.18 H new ATOM 0 HG2 GLU A 93 11.827 10.898 -2.193 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.699 9.607 -2.558 1.00 1.33 H new ATOM 1006 N TYR A 94 9.616 7.633 1.551 1.00 1.23 N ATOM 1007 CA TYR A 94 9.541 7.073 2.886 1.00 1.60 C ATOM 1008 C TYR A 94 10.900 6.524 3.282 1.00 1.67 C ATOM 1009 O TYR A 94 11.297 5.432 2.868 1.00 1.62 O ATOM 1010 CB TYR A 94 8.481 5.968 2.925 1.00 1.88 C ATOM 1011 CG TYR A 94 7.921 5.670 4.303 1.00 2.23 C ATOM 1012 CD1 TYR A 94 6.931 4.711 4.496 1.00 2.63 C ATOM 1013 CD2 TYR A 94 8.404 6.342 5.420 1.00 2.62 C ATOM 1014 CE1 TYR A 94 6.442 4.434 5.760 1.00 3.18 C ATOM 1015 CE2 TYR A 94 7.918 6.072 6.683 1.00 3.33 C ATOM 1016 CZ TYR A 94 6.849 5.131 6.815 1.00 3.51 C ATOM 1017 OH TYR A 94 6.464 4.838 8.112 1.00 4.29 O ATOM 0 H TYR A 94 9.692 6.940 0.807 1.00 1.23 H new ATOM 0 HA TYR A 94 9.257 7.851 3.595 1.00 1.60 H new ATOM 0 HB2 TYR A 94 7.659 6.250 2.268 1.00 1.88 H new ATOM 0 HB3 TYR A 94 8.915 5.054 2.519 1.00 1.88 H new ATOM 0 HD1 TYR A 94 6.538 4.174 3.645 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.174 7.089 5.297 1.00 2.62 H new ATOM 0 HE1 TYR A 94 5.720 3.641 5.891 1.00 3.18 H new ATOM 0 HE2 TYR A 94 8.335 6.560 7.552 1.00 3.33 H new ATOM 0 HH TYR A 94 6.446 3.866 8.236 1.00 4.29 H new ATOM 1027 N THR A 95 11.628 7.315 4.047 1.00 1.95 N ATOM 1028 CA THR A 95 12.948 6.935 4.480 1.00 2.19 C ATOM 1029 C THR A 95 12.873 6.019 5.694 1.00 2.45 C ATOM 1030 O THR A 95 11.979 6.149 6.534 1.00 2.63 O ATOM 1031 CB THR A 95 13.674 7.997 4.781 1.00 2.45 C ATOM 1032 OG1 THR A 95 13.385 9.061 3.859 1.00 2.89 O ATOM 1033 CG2 THR A 95 15.162 7.687 4.741 1.00 2.83 C ATOM 0 H THR A 95 11.320 8.229 4.380 1.00 1.95 H new ATOM 0 HA THR A 95 13.422 6.404 3.655 1.00 2.19 H new ATOM 0 HB THR A 95 13.416 8.300 5.796 1.00 2.45 H new ATOM 0 HG1 THR A 95 13.924 9.847 4.087 1.00 2.89 H new ATOM 0 HG21 THR A 95 15.727 8.584 4.994 1.00 2.83 H new ATOM 0 HG22 THR A 95 15.389 6.900 5.460 1.00 2.83 H new ATOM 0 HG23 THR A 95 15.438 7.354 3.740 1.00 2.83 H new ATOM 1041 N PHE A 96 13.761 5.042 5.736 1.00 2.62 N ATOM 1042 CA PHE A 96 13.886 4.184 6.896 1.00 3.02 C ATOM 1043 C PHE A 96 15.170 4.525 7.633 1.00 3.39 C ATOM 1044 O PHE A 96 15.218 4.512 8.863 1.00 3.84 O ATOM 1045 CB PHE A 96 13.873 2.710 6.483 1.00 3.29 C ATOM 1046 CG PHE A 96 12.601 2.289 5.804 1.00 3.71 C ATOM 1047 CD1 PHE A 96 11.465 2.004 6.545 1.00 4.45 C ATOM 1048 CD2 PHE A 96 12.544 2.177 4.426 1.00 3.78 C ATOM 1049 CE1 PHE A 96 10.294 1.617 5.923 1.00 5.24 C ATOM 1050 CE2 PHE A 96 11.376 1.792 3.798 1.00 4.50 C ATOM 1051 CZ PHE A 96 10.249 1.511 4.548 1.00 5.25 C ATOM 0 H PHE A 96 14.407 4.824 4.977 1.00 2.62 H new ATOM 0 HA PHE A 96 13.037 4.349 7.559 1.00 3.02 H new ATOM 0 HB2 PHE A 96 14.712 2.521 5.814 1.00 3.29 H new ATOM 0 HB3 PHE A 96 14.025 2.092 7.368 1.00 3.29 H new ATOM 0 HD1 PHE A 96 11.496 2.085 7.621 1.00 4.45 H new ATOM 0 HD2 PHE A 96 13.422 2.393 3.836 1.00 3.78 H new ATOM 0 HE1 PHE A 96 9.415 1.398 6.512 1.00 5.24 H new ATOM 0 HE2 PHE A 96 11.343 1.710 2.722 1.00 4.50 H new ATOM 0 HZ PHE A 96 9.335 1.209 4.058 1.00 5.25 H new ATOM 1061 N ASP A 97 16.201 4.857 6.864 1.00 3.71 N ATOM 1062 CA ASP A 97 17.498 5.221 7.413 1.00 4.37 C ATOM 1063 C ASP A 97 18.353 5.853 6.319 1.00 4.59 C ATOM 1064 O ASP A 97 18.034 5.741 5.135 1.00 4.90 O ATOM 1065 CB ASP A 97 18.188 3.979 8.001 1.00 5.00 C ATOM 1066 CG ASP A 97 19.558 4.264 8.587 1.00 5.62 C ATOM 1067 OD1 ASP A 97 20.417 3.365 8.544 1.00 5.98 O ATOM 1068 OD2 ASP A 97 19.780 5.386 9.097 1.00 6.06 O ATOM 0 H ASP A 97 16.160 4.881 5.845 1.00 3.71 H new ATOM 0 HA ASP A 97 17.365 5.946 8.216 1.00 4.37 H new ATOM 0 HB2 ASP A 97 17.552 3.554 8.777 1.00 5.00 H new ATOM 0 HB3 ASP A 97 18.286 3.225 7.220 1.00 5.00 H new ATOM 1073 N TYR A 98 19.408 6.542 6.723 1.00 4.86 N ATOM 1074 CA TYR A 98 20.341 7.151 5.788 1.00 5.39 C ATOM 1075 C TYR A 98 21.781 6.833 6.172 1.00 5.39 C ATOM 1076 O TYR A 98 22.709 7.120 5.417 1.00 5.65 O ATOM 1077 CB TYR A 98 20.158 8.667 5.743 1.00 6.08 C ATOM 1078 CG TYR A 98 19.252 9.158 4.640 1.00 6.83 C ATOM 1079 CD1 TYR A 98 19.507 8.840 3.315 1.00 7.42 C ATOM 1080 CD2 TYR A 98 18.131 9.926 4.927 1.00 7.24 C ATOM 1081 CE1 TYR A 98 18.670 9.272 2.304 1.00 8.35 C ATOM 1082 CE2 TYR A 98 17.292 10.365 3.923 1.00 8.16 C ATOM 1083 CZ TYR A 98 17.605 10.088 2.605 1.00 8.70 C ATOM 1084 OH TYR A 98 16.724 10.461 1.609 1.00 9.77 O ATOM 0 H TYR A 98 19.641 6.695 7.704 1.00 4.86 H new ATOM 0 HA TYR A 98 20.132 6.735 4.802 1.00 5.39 H new ATOM 0 HB2 TYR A 98 19.757 9.000 6.700 1.00 6.08 H new ATOM 0 HB3 TYR A 98 21.136 9.135 5.627 1.00 6.08 H new ATOM 0 HD1 TYR A 98 20.374 8.245 3.069 1.00 7.42 H new ATOM 0 HD2 TYR A 98 17.912 10.184 5.953 1.00 7.24 H new ATOM 0 HE1 TYR A 98 18.851 8.970 1.283 1.00 8.35 H new ATOM 0 HE2 TYR A 98 16.398 10.921 4.165 1.00 8.16 H new ATOM 0 HH TYR A 98 16.018 11.024 1.990 1.00 9.77 H new ATOM 1094 N GLN A 99 21.965 6.236 7.341 1.00 5.51 N ATOM 1095 CA GLN A 99 23.303 5.977 7.851 1.00 5.83 C ATOM 1096 C GLN A 99 23.748 4.565 7.498 1.00 5.62 C ATOM 1097 O GLN A 99 24.661 4.374 6.697 1.00 5.86 O ATOM 1098 CB GLN A 99 23.343 6.176 9.368 1.00 6.51 C ATOM 1099 CG GLN A 99 24.749 6.184 9.943 1.00 7.10 C ATOM 1100 CD GLN A 99 25.593 7.310 9.382 1.00 7.79 C ATOM 1101 OE1 GLN A 99 25.077 8.370 9.028 1.00 8.08 O ATOM 1102 NE2 GLN A 99 26.893 7.089 9.297 1.00 8.34 N ATOM 0 H GLN A 99 21.209 5.924 7.951 1.00 5.51 H new ATOM 0 HA GLN A 99 23.989 6.684 7.385 1.00 5.83 H new ATOM 0 HB2 GLN A 99 22.853 7.117 9.616 1.00 6.51 H new ATOM 0 HB3 GLN A 99 22.769 5.382 9.846 1.00 6.51 H new ATOM 0 HG2 GLN A 99 24.695 6.279 11.028 1.00 7.10 H new ATOM 0 HG3 GLN A 99 25.232 5.230 9.730 1.00 7.10 H new ATOM 0 HE21 GLN A 99 27.279 6.196 9.602 1.00 8.34 H new ATOM 0 HE22 GLN A 99 27.510 7.812 8.927 1.00 8.34 H new ATOM 1111 N MET A 100 23.077 3.585 8.080 1.00 5.51 N ATOM 1112 CA MET A 100 23.420 2.190 7.871 1.00 5.61 C ATOM 1113 C MET A 100 22.764 1.676 6.597 1.00 5.03 C ATOM 1114 O MET A 100 23.432 1.158 5.699 1.00 5.20 O ATOM 1115 CB MET A 100 22.965 1.351 9.069 1.00 6.33 C ATOM 1116 CG MET A 100 23.212 -0.138 8.899 1.00 6.86 C ATOM 1117 SD MET A 100 22.603 -1.116 10.290 1.00 7.54 S ATOM 1118 CE MET A 100 23.564 -0.431 11.637 1.00 8.19 C ATOM 0 H MET A 100 22.285 3.733 8.706 1.00 5.51 H new ATOM 0 HA MET A 100 24.502 2.105 7.771 1.00 5.61 H new ATOM 0 HB2 MET A 100 23.485 1.697 9.962 1.00 6.33 H new ATOM 0 HB3 MET A 100 21.901 1.517 9.235 1.00 6.33 H new ATOM 0 HG2 MET A 100 22.729 -0.479 7.983 1.00 6.86 H new ATOM 0 HG3 MET A 100 24.281 -0.312 8.780 1.00 6.86 H new ATOM 0 HE1 MET A 100 23.549 -1.119 12.482 1.00 8.19 H new ATOM 0 HE2 MET A 100 24.593 -0.281 11.310 1.00 8.19 H new ATOM 0 HE3 MET A 100 23.136 0.525 11.940 1.00 8.19 H new ATOM 1128 N THR A 101 21.454 1.828 6.524 1.00 4.63 N ATOM 1129 CA THR A 101 20.697 1.391 5.369 1.00 4.25 C ATOM 1130 C THR A 101 19.947 2.576 4.758 1.00 3.46 C ATOM 1131 O THR A 101 18.813 2.868 5.133 1.00 3.35 O ATOM 1132 CB THR A 101 19.837 0.450 5.717 1.00 4.65 C ATOM 1133 OG1 THR A 101 20.499 -0.527 6.540 1.00 5.10 O ATOM 1134 CG2 THR A 101 19.238 -0.235 4.498 1.00 5.07 C ATOM 0 H THR A 101 20.890 2.255 7.259 1.00 4.63 H new ATOM 0 HA THR A 101 21.388 0.984 4.630 1.00 4.25 H new ATOM 0 HB THR A 101 19.027 0.921 6.274 1.00 4.65 H new ATOM 0 HG1 THR A 101 19.860 -1.223 6.799 1.00 5.10 H new ATOM 0 HG21 THR A 101 18.535 -1.003 4.821 1.00 5.07 H new ATOM 0 HG22 THR A 101 18.715 0.501 3.887 1.00 5.07 H new ATOM 0 HG23 THR A 101 20.033 -0.695 3.911 1.00 5.07 H new ATOM 1142 N PRO A 102 20.554 3.239 3.762 1.00 3.42 N ATOM 1143 CA PRO A 102 19.973 4.421 3.125 1.00 3.17 C ATOM 1144 C PRO A 102 18.937 4.066 2.061 1.00 2.61 C ATOM 1145 O PRO A 102 18.681 4.845 1.141 1.00 2.79 O ATOM 1146 CB PRO A 102 21.187 5.090 2.486 1.00 3.96 C ATOM 1147 CG PRO A 102 22.099 3.962 2.142 1.00 4.51 C ATOM 1148 CD PRO A 102 21.869 2.894 3.182 1.00 4.18 C ATOM 0 HA PRO A 102 19.436 5.050 3.835 1.00 3.17 H new ATOM 0 HB2 PRO A 102 20.906 5.657 1.599 1.00 3.96 H new ATOM 0 HB3 PRO A 102 21.663 5.789 3.174 1.00 3.96 H new ATOM 0 HG2 PRO A 102 21.887 3.582 1.142 1.00 4.51 H new ATOM 0 HG3 PRO A 102 23.139 4.289 2.145 1.00 4.51 H new ATOM 0 HD2 PRO A 102 21.861 1.899 2.737 1.00 4.18 H new ATOM 0 HD3 PRO A 102 22.653 2.898 3.939 1.00 4.18 H new ATOM 1156 N THR A 103 18.339 2.891 2.196 1.00 2.26 N ATOM 1157 CA THR A 103 17.345 2.430 1.249 1.00 1.91 C ATOM 1158 C THR A 103 16.015 3.142 1.486 1.00 1.65 C ATOM 1159 O THR A 103 15.226 2.762 2.351 1.00 1.74 O ATOM 1160 CB THR A 103 17.185 1.128 1.361 1.00 2.12 C ATOM 1161 OG1 THR A 103 18.477 0.498 1.367 1.00 2.59 O ATOM 1162 CG2 THR A 103 16.348 0.562 0.223 1.00 2.29 C ATOM 0 H THR A 103 18.529 2.240 2.958 1.00 2.26 H new ATOM 0 HA THR A 103 17.690 2.660 0.241 1.00 1.91 H new ATOM 0 HB THR A 103 16.656 0.927 2.293 1.00 2.12 H new ATOM 0 HG1 THR A 103 18.367 -0.472 1.452 1.00 2.59 H new ATOM 0 HG21 THR A 103 16.239 -0.515 0.352 1.00 2.29 H new ATOM 0 HG22 THR A 103 15.363 1.029 0.228 1.00 2.29 H new ATOM 0 HG23 THR A 103 16.841 0.766 -0.728 1.00 2.29 H new ATOM 1170 N LYS A 104 15.779 4.176 0.699 1.00 1.52 N ATOM 1171 CA LYS A 104 14.551 4.940 0.777 1.00 1.37 C ATOM 1172 C LYS A 104 13.598 4.509 -0.329 1.00 1.18 C ATOM 1173 O LYS A 104 14.009 4.364 -1.486 1.00 1.26 O ATOM 1174 CB LYS A 104 14.872 6.430 0.652 1.00 1.53 C ATOM 1175 CG LYS A 104 13.654 7.338 0.692 1.00 1.64 C ATOM 1176 CD LYS A 104 14.056 8.802 0.595 1.00 2.24 C ATOM 1177 CE LYS A 104 14.788 9.099 -0.703 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.320 10.484 -0.732 1.00 3.12 N ATOM 0 H LYS A 104 16.433 4.508 -0.010 1.00 1.52 H new ATOM 0 HA LYS A 104 14.070 4.758 1.738 1.00 1.37 H new ATOM 0 HB2 LYS A 104 15.548 6.713 1.459 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.405 6.598 -0.284 1.00 1.53 H new ATOM 0 HG2 LYS A 104 12.983 7.087 -0.130 1.00 1.64 H new ATOM 0 HG3 LYS A 104 13.102 7.170 1.617 1.00 1.64 H new ATOM 0 HD2 LYS A 104 13.167 9.429 0.663 1.00 2.24 H new ATOM 0 HD3 LYS A 104 14.694 9.061 1.440 1.00 2.24 H new ATOM 0 HE2 LYS A 104 15.608 8.392 -0.828 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.110 8.952 -1.544 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 16.100 10.542 -1.418 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.563 11.141 -1.011 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 15.670 10.741 0.213 1.00 3.12 H new ATOM 1192 N VAL A 105 12.339 4.285 0.030 1.00 1.04 N ATOM 1193 CA VAL A 105 11.336 3.924 -0.945 1.00 0.90 C ATOM 1194 C VAL A 105 10.460 5.116 -1.289 1.00 0.72 C ATOM 1195 O VAL A 105 10.445 6.124 -0.582 1.00 0.75 O ATOM 1196 CB VAL A 105 10.575 2.916 -0.547 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.401 1.642 -0.419 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.856 3.229 0.757 1.00 1.11 C ATOM 0 H VAL A 105 11.996 4.349 0.989 1.00 1.04 H new ATOM 0 HA VAL A 105 11.878 3.600 -1.833 1.00 0.90 H new ATOM 0 HB VAL A 105 9.810 2.761 -1.308 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.760 0.824 -0.091 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.840 1.394 -1.386 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.196 1.795 0.311 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.243 2.376 1.048 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.590 3.432 1.537 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.220 4.104 0.621 1.00 1.11 H new ATOM 1208 N LYS A 106 9.778 5.006 -2.406 1.00 0.64 N ATOM 1209 CA LYS A 106 8.856 6.029 -2.843 1.00 0.59 C ATOM 1210 C LYS A 106 7.450 5.462 -2.877 1.00 0.53 C ATOM 1211 O LYS A 106 7.206 4.417 -3.479 1.00 0.68 O ATOM 1212 CB LYS A 106 9.259 6.562 -4.222 1.00 0.79 C ATOM 1213 CG LYS A 106 8.276 7.571 -4.800 1.00 1.39 C ATOM 1214 CD LYS A 106 8.788 8.183 -6.098 1.00 1.61 C ATOM 1215 CE LYS A 106 9.992 9.080 -5.852 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.458 9.744 -7.099 1.00 2.36 N ATOM 0 H LYS A 106 9.846 4.207 -3.036 1.00 0.64 H new ATOM 0 HA LYS A 106 8.886 6.862 -2.140 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.242 7.027 -4.149 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.353 5.724 -4.912 1.00 0.79 H new ATOM 0 HG2 LYS A 106 7.319 7.082 -4.982 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.097 8.362 -4.072 1.00 1.39 H new ATOM 0 HD2 LYS A 106 9.060 7.389 -6.794 1.00 1.61 H new ATOM 0 HD3 LYS A 106 7.992 8.761 -6.568 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.734 9.838 -5.113 1.00 2.08 H new ATOM 0 HE3 LYS A 106 10.805 8.488 -5.431 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 11.279 10.345 -6.886 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.729 9.022 -7.796 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 9.692 10.330 -7.488 1.00 2.36 H new ATOM 1230 N VAL A 107 6.538 6.143 -2.208 1.00 0.47 N ATOM 1231 CA VAL A 107 5.161 5.700 -2.139 1.00 0.49 C ATOM 1232 C VAL A 107 4.325 6.521 -3.078 1.00 0.45 C ATOM 1233 O VAL A 107 3.998 7.674 -2.778 1.00 0.74 O ATOM 1234 CB VAL A 107 4.628 5.844 -0.931 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.432 4.908 -0.774 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.644 5.625 0.186 1.00 1.11 C ATOM 0 H VAL A 107 6.729 7.009 -1.703 1.00 0.47 H new ATOM 0 HA VAL A 107 5.169 4.642 -2.399 1.00 0.49 H new ATOM 0 HB VAL A 107 4.289 6.876 -0.842 1.00 0.60 H new ATOM 0 HG11 VAL A 107 3.001 5.032 0.219 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.682 5.147 -1.528 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.759 3.876 -0.901 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.156 5.755 1.152 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.049 4.615 0.117 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.454 6.348 0.088 1.00 1.11 H new ATOM 1246 N HIS A 108 3.967 5.959 -4.205 1.00 0.30 N ATOM 1247 CA HIS A 108 2.964 6.591 -5.010 1.00 0.31 C ATOM 1248 C HIS A 108 1.637 6.029 -4.548 1.00 0.28 C ATOM 1249 O HIS A 108 1.262 4.916 -4.902 1.00 0.31 O ATOM 1250 CB HIS A 108 3.203 6.323 -6.501 1.00 0.43 C ATOM 1251 CG HIS A 108 2.351 7.144 -7.429 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.687 7.365 -8.745 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.170 7.784 -7.236 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.758 8.101 -9.323 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.825 8.369 -8.429 1.00 0.80 N ATOM 0 H HIS A 108 4.346 5.087 -4.575 1.00 0.30 H new ATOM 0 HA HIS A 108 2.987 7.675 -4.895 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.252 6.514 -6.727 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.021 5.267 -6.701 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.607 7.825 -6.316 1.00 0.71 H new ATOM 0 HE1 HIS A 108 1.760 8.429 -10.352 1.00 1.01 H new ATOM 0 HE2 HIS A 108 -0.016 8.921 -8.597 1.00 0.80 H new ATOM 1264 N MET A 109 0.943 6.800 -3.747 1.00 0.31 N ATOM 1265 CA MET A 109 -0.329 6.374 -3.208 1.00 0.33 C ATOM 1266 C MET A 109 -1.404 7.065 -4.000 1.00 0.37 C ATOM 1267 O MET A 109 -1.429 8.289 -4.058 1.00 0.55 O ATOM 1268 CB MET A 109 -0.423 6.722 -1.720 1.00 0.43 C ATOM 1269 CG MET A 109 -0.836 5.548 -0.842 1.00 0.77 C ATOM 1270 SD MET A 109 -0.813 5.941 0.921 1.00 1.28 S ATOM 1271 CE MET A 109 -1.224 4.341 1.619 1.00 2.22 C ATOM 0 H MET A 109 1.238 7.731 -3.452 1.00 0.31 H new ATOM 0 HA MET A 109 -0.443 5.293 -3.288 1.00 0.33 H new ATOM 0 HB2 MET A 109 0.544 7.095 -1.381 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.141 7.532 -1.590 1.00 0.43 H new ATOM 0 HG2 MET A 109 -1.839 5.226 -1.124 1.00 0.77 H new ATOM 0 HG3 MET A 109 -0.167 4.708 -1.030 1.00 0.77 H new ATOM 0 HE1 MET A 109 -1.250 4.414 2.706 1.00 2.22 H new ATOM 0 HE2 MET A 109 -2.201 4.024 1.253 1.00 2.22 H new ATOM 0 HE3 MET A 109 -0.471 3.611 1.323 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.266 6.304 -4.638 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.114 6.874 -5.656 1.00 0.30 C ATOM 1283 C LYS A 110 -4.537 6.386 -5.516 1.00 0.24 C ATOM 1284 O LYS A 110 -4.799 5.198 -5.609 1.00 0.24 O ATOM 1285 CB LYS A 110 -2.559 6.513 -7.037 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.407 7.002 -8.195 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.782 6.647 -9.533 1.00 0.78 C ATOM 1288 CE LYS A 110 -3.587 7.215 -10.689 1.00 1.38 C ATOM 1289 NZ LYS A 110 -3.656 8.700 -10.632 1.00 1.73 N ATOM 0 H LYS A 110 -2.396 5.306 -4.473 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.124 7.958 -5.539 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -1.557 6.930 -7.134 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.461 5.430 -7.105 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -4.402 6.562 -8.129 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.531 8.083 -8.126 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -1.763 7.032 -9.574 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -2.718 5.563 -9.630 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -3.136 6.907 -11.633 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -4.596 6.802 -10.668 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -3.951 9.070 -11.558 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -4.346 8.988 -9.909 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -2.720 9.082 -10.389 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.454 7.311 -5.300 1.00 0.23 N ATOM 1304 CA LYS A 111 -6.850 6.997 -5.288 1.00 0.22 C ATOM 1305 C LYS A 111 -7.250 6.327 -6.591 1.00 0.22 C ATOM 1306 O LYS A 111 -7.138 6.914 -7.672 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.602 8.294 -5.091 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.110 8.177 -5.223 1.00 0.35 C ATOM 1309 CD LYS A 111 -9.757 9.549 -5.214 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.272 9.458 -5.314 1.00 0.91 C ATOM 1311 NZ LYS A 111 -11.905 10.803 -5.325 1.00 1.78 N ATOM 0 H LYS A 111 -5.242 8.294 -5.130 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.085 6.301 -4.483 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.367 8.689 -4.103 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.242 9.021 -5.819 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.360 7.658 -6.148 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.506 7.577 -4.404 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.484 10.074 -4.299 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.372 10.138 -6.046 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.545 8.920 -6.222 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.658 8.881 -4.474 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -12.940 10.700 -5.326 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -11.610 11.332 -4.480 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.608 11.319 -6.178 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.682 5.078 -6.461 1.00 0.22 N ATOM 1326 CA ALA A 112 -7.979 4.229 -7.600 1.00 0.26 C ATOM 1327 C ALA A 112 -9.071 4.833 -8.467 1.00 0.38 C ATOM 1328 O ALA A 112 -10.000 5.468 -7.965 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.388 2.840 -7.134 1.00 0.33 C ATOM 0 H ALA A 112 -7.835 4.628 -5.559 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.074 4.149 -8.202 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.607 2.216 -8.000 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.575 2.394 -6.562 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.276 2.914 -6.506 1.00 0.33 H new ATOM 1335 N LEU A 113 -8.964 4.613 -9.765 1.00 0.47 N ATOM 1336 CA LEU A 113 -9.924 5.156 -10.709 1.00 0.64 C ATOM 1337 C LEU A 113 -11.209 4.337 -10.680 1.00 0.76 C ATOM 1338 O LEU A 113 -12.208 4.704 -11.299 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.346 5.189 -12.133 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.153 6.132 -12.359 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.432 7.507 -11.773 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -6.874 5.550 -11.781 1.00 2.39 C ATOM 0 H LEU A 113 -8.220 4.060 -10.190 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.148 6.181 -10.413 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.040 4.178 -12.402 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.143 5.474 -12.820 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.014 6.241 -13.435 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -7.574 8.157 -11.945 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -9.313 7.935 -12.252 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.610 7.417 -10.701 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -6.049 6.240 -11.957 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -6.996 5.396 -10.709 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -6.658 4.596 -12.262 1.00 2.39 H new ATOM 1354 N SER A 114 -11.173 3.221 -9.963 1.00 0.73 N ATOM 1355 CA SER A 114 -12.351 2.389 -9.787 1.00 0.92 C ATOM 1356 C SER A 114 -13.247 2.976 -8.701 1.00 0.93 C ATOM 1357 O SER A 114 -14.464 3.081 -8.873 1.00 1.27 O ATOM 1358 CB SER A 114 -11.940 0.960 -9.424 1.00 1.04 C ATOM 1359 OG SER A 114 -13.055 0.084 -9.430 1.00 1.66 O ATOM 0 H SER A 114 -10.337 2.872 -9.494 1.00 0.73 H new ATOM 0 HA SER A 114 -12.908 2.362 -10.724 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.192 0.604 -10.132 1.00 1.04 H new ATOM 0 HB3 SER A 114 -11.475 0.953 -8.438 1.00 1.04 H new ATOM 0 HG SER A 114 -12.761 -0.821 -9.196 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.637 3.370 -7.586 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.384 3.979 -6.505 1.00 0.79 C ATOM 1367 C GLY A 115 -13.272 3.203 -5.206 1.00 0.78 C ATOM 1368 O GLY A 115 -13.103 1.982 -5.224 1.00 1.52 O ATOM 0 H GLY A 115 -11.636 3.277 -7.414 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.024 4.996 -6.348 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.433 4.052 -6.790 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.353 3.925 -4.085 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.311 3.329 -2.739 1.00 0.85 C ATOM 1374 C ASP A 116 -12.102 2.419 -2.565 1.00 0.80 C ATOM 1375 O ASP A 116 -12.158 1.390 -1.885 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.606 2.565 -2.439 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.816 3.475 -2.391 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -16.410 3.745 -3.455 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -16.188 3.916 -1.287 1.00 2.79 O ATOM 0 H ASP A 116 -13.450 4.940 -4.081 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.217 4.147 -2.024 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.759 1.802 -3.202 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.506 2.047 -1.485 1.00 1.25 H new ATOM 1384 N SER A 117 -11.002 2.843 -3.150 1.00 0.42 N ATOM 1385 CA SER A 117 -9.755 2.106 -3.113 1.00 0.29 C ATOM 1386 C SER A 117 -8.594 3.042 -3.425 1.00 0.22 C ATOM 1387 O SER A 117 -8.778 4.074 -4.077 1.00 0.25 O ATOM 1388 CB SER A 117 -9.795 0.946 -4.100 1.00 0.34 C ATOM 1389 OG SER A 117 -10.442 1.320 -5.306 1.00 0.44 O ATOM 0 H SER A 117 -10.947 3.718 -3.670 1.00 0.42 H new ATOM 0 HA SER A 117 -9.613 1.694 -2.114 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.780 0.614 -4.317 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.317 0.101 -3.651 1.00 0.34 H new ATOM 0 HG SER A 117 -11.406 1.402 -5.148 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.417 2.701 -2.934 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.232 3.537 -3.098 1.00 0.19 C ATOM 1397 C TYR A 118 -4.998 2.665 -3.349 1.00 0.20 C ATOM 1398 O TYR A 118 -4.819 1.632 -2.708 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.033 4.416 -1.851 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.248 5.228 -1.486 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.132 4.784 -0.521 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.497 6.444 -2.097 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.240 5.529 -0.169 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.605 7.200 -1.757 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.502 6.714 -0.836 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.574 7.484 -0.437 1.00 0.42 O ATOM 0 H TYR A 118 -7.251 1.841 -2.411 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.372 4.187 -3.962 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.764 3.780 -1.007 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.194 5.090 -2.022 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.953 3.837 -0.033 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.816 6.809 -2.851 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.896 5.191 0.619 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.764 8.166 -2.213 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.252 8.244 0.091 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.156 3.073 -4.288 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.012 2.287 -4.684 1.00 0.22 C ATOM 1418 C TRP A 119 -1.803 2.594 -3.832 1.00 0.25 C ATOM 1419 O TRP A 119 -1.739 3.618 -3.153 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.632 2.590 -6.126 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.610 2.135 -7.148 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.858 2.626 -7.379 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.390 1.110 -8.108 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.438 1.942 -8.423 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.553 1.004 -8.883 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.320 0.259 -8.373 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.669 0.082 -9.920 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.430 -0.648 -9.391 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.600 -0.739 -10.158 1.00 0.42 C ATOM 0 H TRP A 119 -4.252 3.955 -4.791 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.296 1.242 -4.563 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.496 3.666 -6.230 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.669 2.125 -6.336 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.322 3.430 -6.827 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.374 2.107 -8.793 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.417 0.314 -7.784 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.569 0.017 -10.514 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.601 -1.305 -9.608 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.659 -1.470 -10.951 1.00 0.42 H new ATOM 1440 N VAL A 120 -0.842 1.695 -3.920 1.00 0.28 N ATOM 1441 CA VAL A 120 0.464 1.855 -3.313 1.00 0.32 C ATOM 1442 C VAL A 120 1.522 1.415 -4.323 1.00 0.34 C ATOM 1443 O VAL A 120 1.824 0.228 -4.446 1.00 0.43 O ATOM 1444 CB VAL A 120 0.587 1.113 -2.214 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.958 1.317 -1.572 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.507 1.408 -1.199 1.00 0.62 C ATOM 0 H VAL A 120 -0.950 0.816 -4.426 1.00 0.28 H new ATOM 0 HA VAL A 120 0.591 2.901 -3.034 1.00 0.32 H new ATOM 0 HB VAL A 120 0.486 0.072 -2.522 1.00 0.38 H new ATOM 0 HG11 VAL A 120 2.036 0.701 -0.676 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.737 1.030 -2.278 1.00 0.56 H new ATOM 0 HG13 VAL A 120 2.081 2.366 -1.303 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.366 0.780 -0.319 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.459 2.457 -0.907 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.481 1.199 -1.642 1.00 0.62 H new ATOM 1456 N PHE A 121 2.082 2.368 -5.048 1.00 0.34 N ATOM 1457 CA PHE A 121 3.166 2.067 -5.967 1.00 0.42 C ATOM 1458 C PHE A 121 4.481 2.318 -5.240 1.00 0.40 C ATOM 1459 O PHE A 121 4.878 3.471 -5.057 1.00 0.49 O ATOM 1460 CB PHE A 121 3.118 2.955 -7.218 1.00 0.61 C ATOM 1461 CG PHE A 121 1.813 2.949 -7.973 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.835 3.892 -7.702 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.554 1.978 -8.929 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.373 3.867 -8.372 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.350 1.950 -9.605 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.566 2.979 -9.409 1.00 1.45 C ATOM 0 H PHE A 121 1.807 3.350 -5.019 1.00 0.34 H new ATOM 0 HA PHE A 121 3.072 1.030 -6.289 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.341 3.980 -6.922 1.00 0.61 H new ATOM 0 HB3 PHE A 121 3.911 2.639 -7.896 1.00 0.61 H new ATOM 0 HD1 PHE A 121 1.019 4.654 -6.959 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.305 1.233 -9.148 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.165 4.542 -8.084 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.122 1.138 -10.279 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.420 3.081 -10.063 1.00 1.45 H new ATOM 1476 N VAL A 122 5.139 1.262 -4.796 1.00 0.49 N ATOM 1477 CA VAL A 122 6.373 1.416 -4.042 1.00 0.61 C ATOM 1478 C VAL A 122 7.599 1.239 -4.946 1.00 0.73 C ATOM 1479 O VAL A 122 7.640 0.350 -5.800 1.00 0.95 O ATOM 1480 CB VAL A 122 6.421 0.596 -2.988 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.360 -0.873 -3.404 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.644 0.863 -2.122 1.00 1.52 C ATOM 0 H VAL A 122 4.844 0.296 -4.942 1.00 0.49 H new ATOM 0 HA VAL A 122 6.389 2.434 -3.653 1.00 0.61 H new ATOM 0 HB VAL A 122 5.535 0.806 -2.389 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.402 -1.505 -2.517 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.430 -1.061 -3.940 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.205 -1.103 -4.053 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.647 0.176 -1.275 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.548 0.715 -2.713 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.614 1.889 -1.757 1.00 1.52 H new ATOM 1492 N LYS A 123 8.564 2.143 -4.803 1.00 0.76 N ATOM 1493 CA LYS A 123 9.757 2.132 -5.627 1.00 0.97 C ATOM 1494 C LYS A 123 10.985 2.340 -4.755 1.00 1.04 C ATOM 1495 O LYS A 123 11.040 3.286 -3.978 1.00 1.02 O ATOM 1496 CB LYS A 123 9.685 3.240 -6.687 1.00 1.11 C ATOM 1497 CG LYS A 123 8.472 3.157 -7.608 1.00 1.66 C ATOM 1498 CD LYS A 123 8.501 1.917 -8.493 1.00 2.03 C ATOM 1499 CE LYS A 123 9.698 1.918 -9.432 1.00 2.74 C ATOM 1500 NZ LYS A 123 9.753 3.154 -10.258 1.00 3.45 N ATOM 0 H LYS A 123 8.537 2.897 -4.116 1.00 0.76 H new ATOM 0 HA LYS A 123 9.826 1.167 -6.130 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.678 4.207 -6.184 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.589 3.204 -7.294 1.00 1.11 H new ATOM 0 HG2 LYS A 123 7.562 3.151 -7.007 1.00 1.66 H new ATOM 0 HG3 LYS A 123 8.433 4.048 -8.235 1.00 1.66 H new ATOM 0 HD2 LYS A 123 8.531 1.025 -7.867 1.00 2.03 H new ATOM 0 HD3 LYS A 123 7.582 1.866 -9.077 1.00 2.03 H new ATOM 0 HE2 LYS A 123 10.616 1.829 -8.851 1.00 2.74 H new ATOM 0 HE3 LYS A 123 9.648 1.047 -10.085 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 10.427 3.020 -11.039 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 8.809 3.354 -10.646 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 10.061 3.953 -9.668 1.00 3.45 H new ATOM 1514 N ARG A 124 11.963 1.459 -4.869 1.00 1.23 N ATOM 1515 CA ARG A 124 13.162 1.569 -4.052 1.00 1.40 C ATOM 1516 C ARG A 124 14.283 2.251 -4.818 1.00 1.63 C ATOM 1517 O ARG A 124 14.348 2.175 -6.047 1.00 1.81 O ATOM 1518 CB ARG A 124 13.641 0.193 -3.592 1.00 1.65 C ATOM 1519 CG ARG A 124 14.054 -0.719 -4.738 1.00 1.97 C ATOM 1520 CD ARG A 124 15.054 -1.772 -4.286 1.00 2.31 C ATOM 1521 NE ARG A 124 16.312 -1.166 -3.856 1.00 2.83 N ATOM 1522 CZ ARG A 124 17.250 -1.802 -3.160 1.00 3.38 C ATOM 1523 NH1 ARG A 124 17.113 -3.085 -2.840 1.00 3.50 N ATOM 1524 NH2 ARG A 124 18.342 -1.156 -2.797 1.00 4.23 N ATOM 0 H ARG A 124 11.953 0.667 -5.512 1.00 1.23 H new ATOM 0 HA ARG A 124 12.903 2.170 -3.180 1.00 1.40 H new ATOM 0 HB2 ARG A 124 14.486 0.319 -2.915 1.00 1.65 H new ATOM 0 HB3 ARG A 124 12.846 -0.289 -3.023 1.00 1.65 H new ATOM 0 HG2 ARG A 124 13.171 -1.208 -5.150 1.00 1.97 H new ATOM 0 HG3 ARG A 124 14.491 -0.122 -5.539 1.00 1.97 H new ATOM 0 HD2 ARG A 124 14.629 -2.351 -3.466 1.00 2.31 H new ATOM 0 HD3 ARG A 124 15.245 -2.468 -5.103 1.00 2.31 H new ATOM 0 HE ARG A 124 16.482 -0.192 -4.106 1.00 2.83 H new ATOM 0 HH11 ARG A 124 16.279 -3.596 -3.129 1.00 3.50 H new ATOM 0 HH12 ARG A 124 17.842 -3.558 -2.306 1.00 3.50 H new ATOM 0 HH21 ARG A 124 18.462 -0.175 -3.050 1.00 4.23 H new ATOM 0 HH22 ARG A 124 19.066 -1.637 -2.263 1.00 4.23 H new ATOM 1538 N VAL A 125 15.155 2.924 -4.090 1.00 1.80 N ATOM 1539 CA VAL A 125 16.358 3.480 -4.685 1.00 2.18 C ATOM 1540 C VAL A 125 17.352 2.366 -5.008 1.00 2.76 C ATOM 1541 O VAL A 125 17.969 2.417 -6.090 1.00 3.34 O ATOM 1542 CB VAL A 125 16.936 4.405 -3.922 1.00 2.48 C ATOM 1543 CG1 VAL A 125 16.032 5.624 -3.805 1.00 3.01 C ATOM 1544 CG2 VAL A 125 17.316 3.880 -2.540 1.00 3.14 C ATOM 1545 OXT VAL A 125 17.478 1.417 -4.198 1.00 3.27 O ATOM 0 H VAL A 125 15.054 3.099 -3.090 1.00 1.80 H new ATOM 0 HA VAL A 125 16.052 3.978 -5.605 1.00 2.18 H new ATOM 0 HB VAL A 125 17.868 4.690 -4.411 1.00 2.48 H new ATOM 0 HG11 VAL A 125 16.513 6.375 -3.179 1.00 3.01 H new ATOM 0 HG12 VAL A 125 15.851 6.039 -4.796 1.00 3.01 H new ATOM 0 HG13 VAL A 125 15.083 5.331 -3.356 1.00 3.01 H new ATOM 0 HG21 VAL A 125 17.783 4.678 -1.963 1.00 3.14 H new ATOM 0 HG22 VAL A 125 16.421 3.535 -2.023 1.00 3.14 H new ATOM 0 HG23 VAL A 125 18.016 3.051 -2.645 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 -3.231 -9.185 22.888 1.00 12.02 C HETATM 1557 O1 HC4 A 169 -4.259 -9.176 22.237 1.00 12.16 O HETATM 1558 C2 HC4 A 169 -2.883 -8.219 24.046 1.00 12.51 C HETATM 1559 C3 HC4 A 169 -3.649 -7.216 24.528 1.00 13.15 C HETATM 1560 C1' HC4 A 169 -4.978 -6.730 24.122 1.00 13.58 C HETATM 1561 C2' HC4 A 169 -5.528 -5.653 24.810 1.00 14.40 C HETATM 1562 C3' HC4 A 169 -6.775 -5.153 24.493 1.00 14.99 C HETATM 1563 C4' HC4 A 169 -7.500 -5.718 23.472 1.00 14.81 C HETATM 1564 C5' HC4 A 169 -6.986 -6.780 22.770 1.00 14.03 C HETATM 1565 C6' HC4 A 169 -5.738 -7.276 23.096 1.00 13.40 C HETATM 1566 O4' HC4 A 169 -8.743 -5.218 23.158 1.00 15.56 O HETATM 0 HO4' HC4 A 169 -9.122 -5.728 22.412 1.00 15.56 H new HETATM 0 H6' HC4 A 169 -5.339 -8.119 22.532 1.00 13.40 H new HETATM 0 H5' HC4 A 169 -7.559 -7.230 21.959 1.00 14.03 H new HETATM 0 H3' HC4 A 169 -7.184 -4.311 25.052 1.00 14.99 H new HETATM 0 H3 HC4 A 169 -3.206 -6.672 25.362 1.00 13.15 H new HETATM 0 H2' HC4 A 169 -4.960 -5.193 25.619 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -1.915 -8.364 24.525 1.00 12.51 H new