USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 69 SER OG : rot -22:sc= 1.06 USER MOD Set 1.2: B 74 THR OG1 : rot -94:sc= -0.259 USER MOD Single : A 63 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.44) USER MOD Single : A 66 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.47) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -27:sc= -2.9 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 74:sc= -1.02 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.776 F(o=-2.5,f=-0.78) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 67 HIS : no HD1:sc= -0.447 K(o=-0.45,f=-2.3) USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 79:sc= 0.0724 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ -151:sc= -0.0217 (180deg=-0.473) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -9.777 6.051 16.076 1.00 18.74 N ATOM 2 CA VAL A 62 -11.187 5.948 16.548 1.00 18.11 C ATOM 3 C VAL A 62 -11.966 5.007 15.627 1.00 17.30 C ATOM 4 O VAL A 62 -13.017 4.510 15.977 1.00 17.26 O ATOM 5 CB VAL A 62 -11.836 7.335 16.530 1.00 18.42 C ATOM 6 CG1 VAL A 62 -12.095 7.759 15.083 1.00 18.58 C ATOM 7 CG2 VAL A 62 -13.163 7.285 17.291 1.00 18.59 C ATOM 0 HA VAL A 62 -11.201 5.555 17.565 1.00 18.11 H new ATOM 0 HB VAL A 62 -11.169 8.055 17.005 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -12.557 8.746 15.070 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -11.151 7.793 14.539 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -12.762 7.040 14.607 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -13.627 8.271 17.279 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -13.829 6.566 16.814 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -12.980 6.982 18.322 1.00 18.59 H new ATOM 19 N GLN A 63 -11.459 4.760 14.450 1.00 16.78 N ATOM 20 CA GLN A 63 -12.173 3.851 13.508 1.00 16.11 C ATOM 21 C GLN A 63 -11.390 2.544 13.373 1.00 15.69 C ATOM 22 O GLN A 63 -11.521 1.826 12.403 1.00 15.68 O ATOM 23 CB GLN A 63 -12.279 4.521 12.136 1.00 16.10 C ATOM 24 CG GLN A 63 -13.248 3.733 11.250 1.00 15.49 C ATOM 25 CD GLN A 63 -14.558 3.505 12.006 1.00 15.09 C ATOM 26 OE1 GLN A 63 -15.247 4.446 12.349 1.00 15.39 O ATOM 27 NE2 GLN A 63 -14.936 2.287 12.281 1.00 14.56 N ATOM 0 H GLN A 63 -10.583 5.147 14.100 1.00 16.78 H new ATOM 0 HA GLN A 63 -13.172 3.642 13.891 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -12.627 5.548 12.248 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -11.297 4.567 11.666 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -13.439 4.279 10.326 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -12.806 2.777 10.970 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -14.359 1.497 11.994 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -15.809 2.125 12.783 1.00 14.56 H new ATOM 36 N LEU A 64 -10.572 2.234 14.340 1.00 15.49 N ATOM 37 CA LEU A 64 -9.774 0.977 14.268 1.00 15.26 C ATOM 38 C LEU A 64 -10.469 -0.120 15.077 1.00 14.77 C ATOM 39 O LEU A 64 -10.002 -1.238 15.151 1.00 14.94 O ATOM 40 CB LEU A 64 -8.373 1.218 14.844 1.00 15.58 C ATOM 41 CG LEU A 64 -7.995 2.693 14.693 1.00 15.97 C ATOM 42 CD1 LEU A 64 -6.555 2.903 15.167 1.00 16.71 C ATOM 43 CD2 LEU A 64 -8.115 3.101 13.223 1.00 16.05 C ATOM 0 H LEU A 64 -10.421 2.796 15.177 1.00 15.49 H new ATOM 0 HA LEU A 64 -9.691 0.667 13.226 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -8.349 0.933 15.896 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -7.645 0.592 14.327 1.00 15.58 H new ATOM 0 HG LEU A 64 -8.667 3.304 15.296 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -6.286 3.954 15.059 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -6.471 2.612 16.214 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -5.881 2.293 14.566 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -7.846 4.152 13.114 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -7.443 2.490 12.620 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -9.141 2.952 12.887 1.00 16.05 H new ATOM 55 N ALA A 65 -11.581 0.189 15.688 1.00 14.32 N ATOM 56 CA ALA A 65 -12.298 -0.839 16.491 1.00 14.03 C ATOM 57 C ALA A 65 -12.662 -2.027 15.598 1.00 13.34 C ATOM 58 O ALA A 65 -12.920 -3.115 16.072 1.00 13.29 O ATOM 59 CB ALA A 65 -13.573 -0.230 17.078 1.00 14.31 C ATOM 0 H ALA A 65 -12.022 1.108 15.665 1.00 14.32 H new ATOM 0 HA ALA A 65 -11.653 -1.181 17.300 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -14.098 -0.983 17.666 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -13.312 0.613 17.717 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -14.218 0.114 16.269 1.00 14.31 H new ATOM 65 N HIS A 66 -12.684 -1.828 14.309 1.00 12.98 N ATOM 66 CA HIS A 66 -13.031 -2.950 13.391 1.00 12.48 C ATOM 67 C HIS A 66 -14.519 -3.280 13.529 1.00 11.62 C ATOM 68 O HIS A 66 -15.292 -3.097 12.610 1.00 11.76 O ATOM 69 CB HIS A 66 -12.199 -4.182 13.755 1.00 12.81 C ATOM 70 CG HIS A 66 -11.652 -4.809 12.502 1.00 13.36 C ATOM 71 ND1 HIS A 66 -11.879 -6.138 12.181 1.00 13.57 N ATOM 72 CD2 HIS A 66 -10.884 -4.302 11.482 1.00 13.93 C ATOM 73 CE1 HIS A 66 -11.260 -6.384 11.012 1.00 14.23 C ATOM 74 NE2 HIS A 66 -10.639 -5.299 10.542 1.00 14.47 N ATOM 0 H HIS A 66 -12.477 -0.940 13.852 1.00 12.98 H new ATOM 0 HA HIS A 66 -12.818 -2.658 12.363 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -11.382 -3.899 14.419 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -12.814 -4.902 14.296 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -10.525 -3.285 11.419 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -11.265 -7.342 10.514 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -10.101 -5.218 9.679 1.00 14.47 H new ATOM 82 N HIS A 67 -14.925 -3.766 14.670 1.00 10.90 N ATOM 83 CA HIS A 67 -16.362 -4.109 14.866 1.00 10.21 C ATOM 84 C HIS A 67 -16.790 -5.135 13.815 1.00 9.43 C ATOM 85 O HIS A 67 -15.980 -5.648 13.069 1.00 9.32 O ATOM 86 CB HIS A 67 -17.214 -2.846 14.721 1.00 10.37 C ATOM 87 CG HIS A 67 -17.985 -2.610 15.991 1.00 10.53 C ATOM 88 ND1 HIS A 67 -19.283 -3.065 16.163 1.00 10.58 N ATOM 89 CD2 HIS A 67 -17.656 -1.966 17.157 1.00 10.88 C ATOM 90 CE1 HIS A 67 -19.683 -2.694 17.394 1.00 10.97 C ATOM 91 NE2 HIS A 67 -18.729 -2.021 18.042 1.00 11.15 N ATOM 0 H HIS A 67 -14.324 -3.940 15.475 1.00 10.90 H new ATOM 0 HA HIS A 67 -16.501 -4.529 15.862 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -16.577 -1.988 14.505 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -17.901 -2.952 13.881 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -16.708 -1.489 17.358 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -20.656 -2.914 17.807 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -18.776 -1.631 18.983 1.00 11.15 H new ATOM 99 N PHE A 68 -18.057 -5.439 13.751 1.00 9.11 N ATOM 100 CA PHE A 68 -18.537 -6.431 12.748 1.00 8.55 C ATOM 101 C PHE A 68 -19.553 -5.765 11.820 1.00 7.46 C ATOM 102 O PHE A 68 -19.814 -4.583 11.915 1.00 7.39 O ATOM 103 CB PHE A 68 -19.204 -7.603 13.469 1.00 8.98 C ATOM 104 CG PHE A 68 -18.248 -8.185 14.481 1.00 9.76 C ATOM 105 CD1 PHE A 68 -16.936 -8.497 14.108 1.00 10.19 C ATOM 106 CD2 PHE A 68 -18.677 -8.417 15.793 1.00 10.29 C ATOM 107 CE1 PHE A 68 -16.051 -9.041 15.046 1.00 11.10 C ATOM 108 CE2 PHE A 68 -17.792 -8.961 16.732 1.00 11.19 C ATOM 109 CZ PHE A 68 -16.479 -9.272 16.359 1.00 11.57 C ATOM 0 H PHE A 68 -18.781 -5.043 14.350 1.00 9.11 H new ATOM 0 HA PHE A 68 -17.691 -6.795 12.164 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -20.115 -7.267 13.965 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -19.497 -8.367 12.749 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -16.606 -8.318 13.095 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -19.690 -8.177 16.081 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -15.039 -9.282 14.757 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -18.123 -9.141 17.744 1.00 11.19 H new ATOM 0 HZ PHE A 68 -15.796 -9.690 17.084 1.00 11.57 H new ATOM 119 N SER A 69 -20.135 -6.517 10.927 1.00 6.86 N ATOM 120 CA SER A 69 -21.140 -5.931 9.997 1.00 6.01 C ATOM 121 C SER A 69 -20.529 -4.734 9.266 1.00 5.07 C ATOM 122 O SER A 69 -20.838 -3.594 9.555 1.00 5.28 O ATOM 123 CB SER A 69 -22.360 -5.473 10.796 1.00 6.54 C ATOM 124 OG SER A 69 -23.149 -6.606 11.137 1.00 7.08 O ATOM 0 H SER A 69 -19.957 -7.514 10.801 1.00 6.86 H new ATOM 0 HA SER A 69 -21.441 -6.682 9.267 1.00 6.01 H new ATOM 0 HB2 SER A 69 -22.043 -4.951 11.699 1.00 6.54 H new ATOM 0 HB3 SER A 69 -22.949 -4.768 10.210 1.00 6.54 H new ATOM 0 HG SER A 69 -23.932 -6.317 11.651 1.00 7.08 H new ATOM 130 N GLU A 70 -19.667 -4.981 8.317 1.00 4.41 N ATOM 131 CA GLU A 70 -19.042 -3.856 7.566 1.00 3.84 C ATOM 132 C GLU A 70 -18.918 -4.237 6.088 1.00 2.84 C ATOM 133 O GLU A 70 -18.753 -5.396 5.761 1.00 3.00 O ATOM 134 CB GLU A 70 -17.652 -3.572 8.135 1.00 4.55 C ATOM 135 CG GLU A 70 -16.934 -4.894 8.413 1.00 5.41 C ATOM 136 CD GLU A 70 -16.807 -5.098 9.925 1.00 6.00 C ATOM 137 OE1 GLU A 70 -17.434 -4.352 10.657 1.00 6.28 O ATOM 138 OE2 GLU A 70 -16.086 -5.997 10.322 1.00 6.49 O ATOM 0 H GLU A 70 -19.369 -5.913 8.030 1.00 4.41 H new ATOM 0 HA GLU A 70 -19.663 -2.966 7.663 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -17.074 -2.973 7.430 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -17.735 -2.991 9.054 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -17.488 -5.721 7.969 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -15.946 -4.888 7.952 1.00 5.41 H new ATOM 145 N PRO A 71 -18.998 -3.246 5.237 1.00 2.18 N ATOM 146 CA PRO A 71 -18.893 -3.452 3.782 1.00 1.51 C ATOM 147 C PRO A 71 -17.527 -4.053 3.435 1.00 1.23 C ATOM 148 O PRO A 71 -16.493 -3.486 3.729 1.00 1.13 O ATOM 149 CB PRO A 71 -19.038 -2.049 3.175 1.00 1.87 C ATOM 150 CG PRO A 71 -19.222 -1.047 4.342 1.00 2.49 C ATOM 151 CD PRO A 71 -19.199 -1.846 5.654 1.00 2.65 C ATOM 0 HA PRO A 71 -19.648 -4.140 3.401 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -18.156 -1.794 2.587 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -19.893 -2.011 2.500 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -18.427 -0.302 4.335 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -20.164 -0.509 4.239 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -18.396 -1.509 6.309 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -20.131 -1.727 6.206 1.00 2.65 H new ATOM 159 N GLU A 72 -17.513 -5.201 2.817 1.00 1.29 N ATOM 160 CA GLU A 72 -16.215 -5.835 2.458 1.00 1.13 C ATOM 161 C GLU A 72 -15.411 -4.889 1.563 1.00 1.00 C ATOM 162 O GLU A 72 -14.301 -4.514 1.880 1.00 0.97 O ATOM 163 CB GLU A 72 -16.476 -7.144 1.711 1.00 1.32 C ATOM 164 CG GLU A 72 -17.596 -7.914 2.412 1.00 1.94 C ATOM 165 CD GLU A 72 -18.859 -7.878 1.550 1.00 2.47 C ATOM 166 OE1 GLU A 72 -18.899 -7.083 0.626 1.00 3.01 O ATOM 167 OE2 GLU A 72 -19.765 -8.647 1.828 1.00 2.89 O ATOM 0 H GLU A 72 -18.344 -5.727 2.545 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.650 -6.041 3.367 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -16.754 -6.937 0.678 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -15.568 -7.746 1.682 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -17.290 -8.946 2.584 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -17.797 -7.475 3.389 1.00 1.94 H new ATOM 174 N ILE A 73 -15.960 -4.506 0.443 1.00 0.99 N ATOM 175 CA ILE A 73 -15.230 -3.595 -0.474 1.00 0.91 C ATOM 176 C ILE A 73 -14.643 -2.415 0.307 1.00 0.80 C ATOM 177 O ILE A 73 -13.497 -2.059 0.133 1.00 0.74 O ATOM 178 CB ILE A 73 -16.201 -3.074 -1.531 1.00 1.03 C ATOM 179 CG1 ILE A 73 -15.410 -2.369 -2.625 1.00 1.05 C ATOM 180 CG2 ILE A 73 -17.183 -2.090 -0.893 1.00 1.28 C ATOM 181 CD1 ILE A 73 -15.247 -3.313 -3.815 1.00 1.48 C ATOM 0 H ILE A 73 -16.887 -4.788 0.125 1.00 0.99 H new ATOM 0 HA ILE A 73 -14.415 -4.140 -0.950 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.760 -3.907 -1.957 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -15.925 -1.460 -2.935 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -14.433 -2.068 -2.247 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -17.873 -1.721 -1.652 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.744 -2.594 -0.106 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -16.632 -1.252 -0.466 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -14.681 -2.813 -4.601 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -14.714 -4.209 -3.498 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -16.230 -3.591 -4.196 1.00 1.48 H new ATOM 193 N THR A 74 -15.418 -1.803 1.160 1.00 0.81 N ATOM 194 CA THR A 74 -14.902 -0.642 1.942 1.00 0.76 C ATOM 195 C THR A 74 -13.678 -1.063 2.760 1.00 0.68 C ATOM 196 O THR A 74 -12.676 -0.375 2.797 1.00 0.62 O ATOM 197 CB THR A 74 -15.993 -0.122 2.881 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.430 -1.172 3.730 1.00 1.35 O ATOM 199 CG2 THR A 74 -17.173 0.396 2.056 1.00 1.19 C ATOM 0 H THR A 74 -16.388 -2.057 1.350 1.00 0.81 H new ATOM 0 HA THR A 74 -14.614 0.150 1.250 1.00 0.76 H new ATOM 0 HB THR A 74 -15.592 0.690 3.488 1.00 0.86 H new ATOM 0 HG1 THR A 74 -16.293 -2.033 3.282 1.00 1.35 H new ATOM 0 HG21 THR A 74 -17.950 0.766 2.725 1.00 1.19 H new ATOM 0 HG22 THR A 74 -16.836 1.205 1.408 1.00 1.19 H new ATOM 0 HG23 THR A 74 -17.574 -0.414 1.447 1.00 1.19 H new ATOM 207 N LEU A 75 -13.752 -2.174 3.435 1.00 0.72 N ATOM 208 CA LEU A 75 -12.587 -2.608 4.257 1.00 0.69 C ATOM 209 C LEU A 75 -11.447 -3.079 3.351 1.00 0.58 C ATOM 210 O LEU A 75 -10.309 -2.701 3.539 1.00 0.50 O ATOM 211 CB LEU A 75 -13.005 -3.752 5.186 1.00 0.82 C ATOM 212 CG LEU A 75 -12.190 -3.688 6.479 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.368 -4.991 7.258 1.00 0.87 C ATOM 214 CD2 LEU A 75 -10.708 -3.496 6.144 1.00 1.02 C ATOM 0 H LEU A 75 -14.560 -2.796 3.455 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.244 -1.762 4.852 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.069 -3.681 5.411 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.847 -4.711 4.692 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.537 -2.850 7.083 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -11.788 -4.946 8.179 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.422 -5.130 7.499 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.022 -5.828 6.651 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.129 -3.451 7.067 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.360 -4.333 5.538 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.578 -2.567 5.588 1.00 1.02 H new ATOM 226 N ILE A 76 -11.725 -3.904 2.377 1.00 0.62 N ATOM 227 CA ILE A 76 -10.624 -4.379 1.492 1.00 0.57 C ATOM 228 C ILE A 76 -9.926 -3.179 0.848 1.00 0.45 C ATOM 229 O ILE A 76 -8.715 -3.074 0.871 1.00 0.38 O ATOM 230 CB ILE A 76 -11.194 -5.296 0.407 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.880 -6.491 1.070 1.00 0.91 C ATOM 232 CG2 ILE A 76 -10.058 -5.794 -0.488 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.754 -7.215 0.047 1.00 1.10 C ATOM 0 H ILE A 76 -12.654 -4.265 2.158 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.899 -4.937 2.085 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.916 -4.746 -0.197 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.132 -7.174 1.473 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.489 -6.154 1.909 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.463 -6.447 -1.261 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.563 -4.943 -0.955 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.337 -6.348 0.113 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.242 -8.066 0.522 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.511 -6.530 -0.335 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.134 -7.566 -0.778 1.00 1.10 H new ATOM 245 N ILE A 77 -10.669 -2.254 0.297 1.00 0.44 N ATOM 246 CA ILE A 77 -10.016 -1.059 -0.309 1.00 0.36 C ATOM 247 C ILE A 77 -9.185 -0.364 0.769 1.00 0.28 C ATOM 248 O ILE A 77 -8.040 -0.014 0.563 1.00 0.25 O ATOM 249 CB ILE A 77 -11.071 -0.097 -0.865 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.952 0.423 0.271 1.00 1.21 C ATOM 251 CG2 ILE A 77 -11.943 -0.828 -1.887 1.00 1.18 C ATOM 252 CD1 ILE A 77 -13.035 1.337 -0.302 1.00 1.58 C ATOM 0 H ILE A 77 -11.687 -2.274 0.241 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.374 -1.368 -1.134 1.00 0.36 H new ATOM 0 HB ILE A 77 -10.569 0.743 -1.345 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -12.409 -0.412 0.802 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -11.346 0.968 0.995 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -12.693 -0.143 -2.282 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -11.319 -1.192 -2.703 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -12.439 -1.671 -1.405 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -13.664 1.708 0.507 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -12.568 2.178 -0.814 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -13.647 0.777 -1.009 1.00 1.58 H new ATOM 264 N PHE A 78 -9.765 -0.169 1.925 1.00 0.31 N ATOM 265 CA PHE A 78 -9.024 0.497 3.034 1.00 0.32 C ATOM 266 C PHE A 78 -7.745 -0.283 3.336 1.00 0.30 C ATOM 267 O PHE A 78 -6.680 0.284 3.475 1.00 0.30 O ATOM 268 CB PHE A 78 -9.893 0.546 4.297 1.00 0.41 C ATOM 269 CG PHE A 78 -10.367 1.961 4.525 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.075 2.632 3.521 1.00 1.52 C ATOM 271 CD2 PHE A 78 -10.097 2.600 5.740 1.00 1.66 C ATOM 272 CE1 PHE A 78 -11.513 3.945 3.733 1.00 1.97 C ATOM 273 CE2 PHE A 78 -10.536 3.913 5.952 1.00 2.09 C ATOM 274 CZ PHE A 78 -11.244 4.585 4.949 1.00 1.95 C ATOM 0 H PHE A 78 -10.722 -0.443 2.148 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.775 1.514 2.729 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.747 -0.123 4.190 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.322 0.199 5.158 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -11.283 2.137 2.584 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -9.551 2.081 6.514 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -12.058 4.464 2.959 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -10.328 4.407 6.890 1.00 2.09 H new ATOM 0 HZ PHE A 78 -11.583 5.597 5.113 1.00 1.95 H new ATOM 284 N GLY A 79 -7.840 -1.580 3.450 1.00 0.31 N ATOM 285 CA GLY A 79 -6.622 -2.383 3.756 1.00 0.32 C ATOM 286 C GLY A 79 -5.553 -2.121 2.694 1.00 0.26 C ATOM 287 O GLY A 79 -4.406 -1.873 3.010 1.00 0.26 O ATOM 0 H GLY A 79 -8.702 -2.115 3.345 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.240 -2.121 4.743 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.871 -3.444 3.782 1.00 0.32 H new ATOM 291 N VAL A 80 -5.910 -2.162 1.438 1.00 0.23 N ATOM 292 CA VAL A 80 -4.889 -1.899 0.385 1.00 0.22 C ATOM 293 C VAL A 80 -4.277 -0.519 0.628 1.00 0.21 C ATOM 294 O VAL A 80 -3.070 -0.353 0.641 1.00 0.22 O ATOM 295 CB VAL A 80 -5.554 -1.941 -0.992 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.523 -1.592 -2.067 1.00 0.28 C ATOM 297 CG2 VAL A 80 -6.100 -3.349 -1.249 1.00 0.28 C ATOM 0 H VAL A 80 -6.851 -2.363 1.100 1.00 0.23 H new ATOM 0 HA VAL A 80 -4.107 -2.658 0.423 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.371 -1.220 -1.024 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.996 -1.622 -3.048 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -4.131 -0.592 -1.884 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.707 -2.313 -2.036 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.575 -3.382 -2.230 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.281 -4.068 -1.218 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.833 -3.600 -0.483 1.00 0.28 H new ATOM 307 N MET A 81 -5.101 0.469 0.853 1.00 0.22 N ATOM 308 CA MET A 81 -4.571 1.833 1.129 1.00 0.25 C ATOM 309 C MET A 81 -3.649 1.766 2.346 1.00 0.27 C ATOM 310 O MET A 81 -2.554 2.294 2.345 1.00 0.28 O ATOM 311 CB MET A 81 -5.734 2.787 1.417 1.00 0.29 C ATOM 312 CG MET A 81 -6.463 3.115 0.111 1.00 0.36 C ATOM 313 SD MET A 81 -5.786 4.640 -0.591 1.00 1.07 S ATOM 314 CE MET A 81 -7.147 4.986 -1.733 1.00 1.70 C ATOM 0 H MET A 81 -6.118 0.389 0.857 1.00 0.22 H new ATOM 0 HA MET A 81 -4.017 2.198 0.264 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.425 2.331 2.126 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.362 3.702 1.878 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.350 2.294 -0.597 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.531 3.230 0.297 1.00 0.36 H new ATOM 0 HE1 MET A 81 -6.936 5.903 -2.283 1.00 1.70 H new ATOM 0 HE2 MET A 81 -7.253 4.159 -2.435 1.00 1.70 H new ATOM 0 HE3 MET A 81 -8.073 5.105 -1.170 1.00 1.70 H new ATOM 324 N ALA A 82 -4.095 1.115 3.386 1.00 0.28 N ATOM 325 CA ALA A 82 -3.269 0.996 4.618 1.00 0.32 C ATOM 326 C ALA A 82 -1.920 0.353 4.279 1.00 0.30 C ATOM 327 O ALA A 82 -0.885 0.819 4.710 1.00 0.30 O ATOM 328 CB ALA A 82 -4.012 0.160 5.672 1.00 0.37 C ATOM 0 H ALA A 82 -5.005 0.657 3.433 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.091 1.991 5.027 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.399 0.079 6.570 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.957 0.644 5.920 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.207 -0.836 5.275 1.00 0.37 H new ATOM 334 N GLY A 83 -1.911 -0.716 3.520 1.00 0.28 N ATOM 335 CA GLY A 83 -0.611 -1.360 3.190 1.00 0.27 C ATOM 336 C GLY A 83 0.302 -0.334 2.522 1.00 0.23 C ATOM 337 O GLY A 83 1.452 -0.190 2.886 1.00 0.23 O ATOM 0 H GLY A 83 -2.737 -1.162 3.122 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.143 -1.746 4.095 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.770 -2.210 2.526 1.00 0.27 H new ATOM 341 N VAL A 84 -0.194 0.393 1.558 1.00 0.21 N ATOM 342 CA VAL A 84 0.672 1.414 0.901 1.00 0.19 C ATOM 343 C VAL A 84 1.192 2.386 1.966 1.00 0.20 C ATOM 344 O VAL A 84 2.369 2.683 2.034 1.00 0.19 O ATOM 345 CB VAL A 84 -0.144 2.186 -0.139 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.735 3.259 -0.783 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.641 1.221 -1.218 1.00 0.27 C ATOM 0 H VAL A 84 -1.147 0.327 1.201 1.00 0.21 H new ATOM 0 HA VAL A 84 1.510 0.923 0.407 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.997 2.658 0.348 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.154 3.809 -1.524 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.090 3.947 -0.016 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.589 2.787 -1.269 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.222 1.771 -1.958 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.212 0.748 -1.704 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.268 0.455 -0.761 1.00 0.27 H new ATOM 357 N ILE A 85 0.317 2.872 2.808 1.00 0.23 N ATOM 358 CA ILE A 85 0.747 3.812 3.883 1.00 0.27 C ATOM 359 C ILE A 85 1.822 3.152 4.752 1.00 0.27 C ATOM 360 O ILE A 85 2.838 3.746 5.059 1.00 0.28 O ATOM 361 CB ILE A 85 -0.458 4.179 4.750 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.499 4.901 3.892 1.00 0.67 C ATOM 363 CG2 ILE A 85 -0.009 5.099 5.885 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.890 4.695 4.495 1.00 1.20 C ATOM 0 H ILE A 85 -0.680 2.657 2.796 1.00 0.23 H new ATOM 0 HA ILE A 85 1.158 4.714 3.429 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.895 3.272 5.169 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.268 5.965 3.840 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.473 4.519 2.872 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.868 5.360 6.503 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.735 4.587 6.496 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.427 6.006 5.467 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.631 5.209 3.884 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -3.120 3.630 4.524 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.911 5.099 5.507 1.00 1.20 H new ATOM 376 N GLY A 86 1.601 1.929 5.161 1.00 0.29 N ATOM 377 CA GLY A 86 2.601 1.236 6.019 1.00 0.33 C ATOM 378 C GLY A 86 3.955 1.205 5.312 1.00 0.30 C ATOM 379 O GLY A 86 4.974 1.513 5.896 1.00 0.33 O ATOM 0 H GLY A 86 0.770 1.382 4.936 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.692 1.750 6.976 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.269 0.220 6.233 1.00 0.33 H new ATOM 383 N THR A 87 3.982 0.839 4.060 1.00 0.25 N ATOM 384 CA THR A 87 5.281 0.802 3.338 1.00 0.25 C ATOM 385 C THR A 87 5.925 2.186 3.414 1.00 0.26 C ATOM 386 O THR A 87 7.090 2.322 3.732 1.00 0.32 O ATOM 387 CB THR A 87 5.049 0.420 1.875 1.00 0.24 C ATOM 388 OG1 THR A 87 4.445 -0.865 1.816 1.00 0.34 O ATOM 389 CG2 THR A 87 6.388 0.392 1.135 1.00 0.31 C ATOM 0 H THR A 87 3.167 0.566 3.511 1.00 0.25 H new ATOM 0 HA THR A 87 5.938 0.062 3.796 1.00 0.25 H new ATOM 0 HB THR A 87 4.393 1.153 1.405 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.507 -0.798 2.091 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.222 0.120 0.093 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.851 1.378 1.183 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.046 -0.341 1.601 1.00 0.31 H new ATOM 397 N ILE A 88 5.172 3.219 3.141 1.00 0.24 N ATOM 398 CA ILE A 88 5.746 4.592 3.220 1.00 0.33 C ATOM 399 C ILE A 88 6.297 4.809 4.630 1.00 0.39 C ATOM 400 O ILE A 88 7.407 5.269 4.813 1.00 0.47 O ATOM 401 CB ILE A 88 4.653 5.623 2.931 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.260 5.544 1.454 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.177 7.025 3.243 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.185 6.590 1.154 1.00 0.49 C ATOM 0 H ILE A 88 4.190 3.171 2.868 1.00 0.24 H new ATOM 0 HA ILE A 88 6.544 4.706 2.486 1.00 0.33 H new ATOM 0 HB ILE A 88 3.783 5.415 3.553 1.00 0.37 H new ATOM 0 HG12 ILE A 88 5.134 5.715 0.825 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.888 4.547 1.219 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.398 7.759 3.037 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.460 7.082 4.294 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.047 7.235 2.621 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.906 6.533 0.102 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.308 6.399 1.773 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.574 7.584 1.373 1.00 0.49 H new ATOM 416 N LEU A 89 5.529 4.464 5.628 1.00 0.39 N ATOM 417 CA LEU A 89 6.002 4.629 7.029 1.00 0.49 C ATOM 418 C LEU A 89 7.313 3.849 7.195 1.00 0.53 C ATOM 419 O LEU A 89 8.281 4.344 7.737 1.00 0.62 O ATOM 420 CB LEU A 89 4.906 4.119 7.994 1.00 0.53 C ATOM 421 CG LEU A 89 5.421 2.983 8.892 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.473 3.531 9.856 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.254 2.397 9.690 1.00 0.65 C ATOM 0 H LEU A 89 4.592 4.074 5.531 1.00 0.39 H new ATOM 0 HA LEU A 89 6.192 5.677 7.260 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.556 4.943 8.615 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.050 3.768 7.419 1.00 0.53 H new ATOM 0 HG LEU A 89 5.867 2.204 8.273 1.00 0.59 H new ATOM 0 HD11 LEU A 89 6.838 2.725 10.493 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.304 3.950 9.288 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.028 4.310 10.476 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.617 1.591 10.328 1.00 0.65 H new ATOM 0 HD22 LEU A 89 3.809 3.176 10.309 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.504 2.006 9.003 1.00 0.65 H new ATOM 435 N LEU A 90 7.343 2.632 6.726 1.00 0.49 N ATOM 436 CA LEU A 90 8.586 1.812 6.847 1.00 0.57 C ATOM 437 C LEU A 90 9.745 2.559 6.187 1.00 0.60 C ATOM 438 O LEU A 90 10.818 2.675 6.744 1.00 0.71 O ATOM 439 CB LEU A 90 8.391 0.457 6.156 1.00 0.56 C ATOM 440 CG LEU A 90 8.988 -0.649 7.027 1.00 1.24 C ATOM 441 CD1 LEU A 90 8.707 -2.010 6.390 1.00 1.76 C ATOM 442 CD2 LEU A 90 10.500 -0.443 7.145 1.00 1.92 C ATOM 0 H LEU A 90 6.561 2.168 6.264 1.00 0.49 H new ATOM 0 HA LEU A 90 8.806 1.644 7.901 1.00 0.57 H new ATOM 0 HB2 LEU A 90 7.330 0.271 5.989 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.871 0.463 5.177 1.00 0.56 H new ATOM 0 HG LEU A 90 8.537 -0.614 8.019 1.00 1.24 H new ATOM 0 HD11 LEU A 90 9.133 -2.798 7.012 1.00 1.76 H new ATOM 0 HD12 LEU A 90 7.630 -2.157 6.306 1.00 1.76 H new ATOM 0 HD13 LEU A 90 9.157 -2.047 5.398 1.00 1.76 H new ATOM 0 HD21 LEU A 90 10.927 -1.231 7.766 1.00 1.92 H new ATOM 0 HD22 LEU A 90 10.951 -0.478 6.153 1.00 1.92 H new ATOM 0 HD23 LEU A 90 10.701 0.527 7.600 1.00 1.92 H new ATOM 454 N ILE A 91 9.537 3.072 5.005 1.00 0.55 N ATOM 455 CA ILE A 91 10.630 3.814 4.318 1.00 0.65 C ATOM 456 C ILE A 91 11.095 4.956 5.214 1.00 0.75 C ATOM 457 O ILE A 91 12.277 5.153 5.414 1.00 0.87 O ATOM 458 CB ILE A 91 10.115 4.381 2.994 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.711 3.229 2.070 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.220 5.202 2.327 1.00 0.75 C ATOM 461 CD1 ILE A 91 9.169 3.797 0.757 1.00 0.66 C ATOM 0 H ILE A 91 8.660 3.009 4.487 1.00 0.55 H new ATOM 0 HA ILE A 91 11.462 3.139 4.118 1.00 0.65 H new ATOM 0 HB ILE A 91 9.251 5.018 3.183 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.570 2.587 1.874 1.00 0.58 H new ATOM 0 HG13 ILE A 91 8.954 2.610 2.552 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.854 5.606 1.383 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.512 6.021 2.984 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.083 4.564 2.138 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.881 2.978 0.098 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.299 4.421 0.962 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.940 4.397 0.274 1.00 0.66 H new ATOM 473 N SER A 92 10.186 5.711 5.764 1.00 0.73 N ATOM 474 CA SER A 92 10.608 6.826 6.650 1.00 0.87 C ATOM 475 C SER A 92 11.463 6.248 7.778 1.00 0.94 C ATOM 476 O SER A 92 12.534 6.742 8.072 1.00 1.07 O ATOM 477 CB SER A 92 9.373 7.510 7.238 1.00 0.86 C ATOM 478 OG SER A 92 8.874 8.459 6.306 1.00 1.29 O ATOM 0 H SER A 92 9.179 5.605 5.639 1.00 0.73 H new ATOM 0 HA SER A 92 11.181 7.560 6.084 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.607 6.769 7.466 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.628 8.003 8.176 1.00 0.86 H new ATOM 0 HG SER A 92 8.081 8.898 6.679 1.00 1.29 H new ATOM 484 N TYR A 93 11.010 5.191 8.400 1.00 0.89 N ATOM 485 CA TYR A 93 11.816 4.575 9.492 1.00 1.00 C ATOM 486 C TYR A 93 13.192 4.189 8.941 1.00 1.05 C ATOM 487 O TYR A 93 14.214 4.486 9.528 1.00 1.18 O ATOM 488 CB TYR A 93 11.103 3.323 10.008 1.00 0.96 C ATOM 489 CG TYR A 93 11.545 3.037 11.424 1.00 1.27 C ATOM 490 CD1 TYR A 93 11.303 3.976 12.436 1.00 1.62 C ATOM 491 CD2 TYR A 93 12.194 1.835 11.725 1.00 2.13 C ATOM 492 CE1 TYR A 93 11.712 3.710 13.748 1.00 1.95 C ATOM 493 CE2 TYR A 93 12.603 1.569 13.038 1.00 2.53 C ATOM 494 CZ TYR A 93 12.362 2.507 14.048 1.00 2.15 C ATOM 495 OH TYR A 93 12.765 2.245 15.342 1.00 2.64 O ATOM 0 H TYR A 93 10.122 4.731 8.200 1.00 0.89 H new ATOM 0 HA TYR A 93 11.933 5.286 10.310 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.023 3.467 9.975 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.330 2.472 9.366 1.00 0.96 H new ATOM 0 HD1 TYR A 93 10.801 4.904 12.204 1.00 1.62 H new ATOM 0 HD2 TYR A 93 12.380 1.112 10.945 1.00 2.13 H new ATOM 0 HE1 TYR A 93 11.526 4.433 14.529 1.00 1.95 H new ATOM 0 HE2 TYR A 93 13.104 0.641 13.271 1.00 2.53 H new ATOM 0 HH TYR A 93 13.199 1.367 15.378 1.00 2.64 H new ATOM 505 N GLY A 94 13.225 3.535 7.807 1.00 0.97 N ATOM 506 CA GLY A 94 14.528 3.139 7.207 1.00 1.05 C ATOM 507 C GLY A 94 15.384 4.384 6.989 1.00 1.16 C ATOM 508 O GLY A 94 16.551 4.420 7.325 1.00 1.29 O ATOM 0 H GLY A 94 12.401 3.259 7.272 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.045 2.439 7.863 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.364 2.626 6.259 1.00 1.05 H new ATOM 512 N ILE A 95 14.807 5.409 6.424 1.00 1.14 N ATOM 513 CA ILE A 95 15.585 6.659 6.178 1.00 1.29 C ATOM 514 C ILE A 95 16.157 7.162 7.510 1.00 1.41 C ATOM 515 O ILE A 95 17.321 7.497 7.608 1.00 1.55 O ATOM 516 CB ILE A 95 14.665 7.726 5.548 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.720 7.610 4.020 1.00 1.74 C ATOM 518 CG2 ILE A 95 15.117 9.137 5.949 1.00 1.77 C ATOM 519 CD1 ILE A 95 16.151 7.862 3.542 1.00 2.19 C ATOM 0 H ILE A 95 13.833 5.436 6.122 1.00 1.14 H new ATOM 0 HA ILE A 95 16.406 6.459 5.489 1.00 1.29 H new ATOM 0 HB ILE A 95 13.649 7.559 5.907 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.390 6.619 3.707 1.00 1.74 H new ATOM 0 HG13 ILE A 95 14.041 8.331 3.565 1.00 1.74 H new ATOM 0 HG21 ILE A 95 14.455 9.874 5.494 1.00 1.77 H new ATOM 0 HG22 ILE A 95 15.080 9.236 7.034 1.00 1.77 H new ATOM 0 HG23 ILE A 95 16.137 9.304 5.604 1.00 1.77 H new ATOM 0 HD11 ILE A 95 16.192 7.780 2.456 1.00 2.19 H new ATOM 0 HD12 ILE A 95 16.464 8.862 3.842 1.00 2.19 H new ATOM 0 HD13 ILE A 95 16.818 7.124 3.987 1.00 2.19 H new ATOM 531 N ARG A 96 15.350 7.214 8.534 1.00 1.37 N ATOM 532 CA ARG A 96 15.856 7.694 9.852 1.00 1.51 C ATOM 533 C ARG A 96 17.042 6.831 10.287 1.00 1.58 C ATOM 534 O ARG A 96 18.068 7.333 10.701 1.00 1.73 O ATOM 535 CB ARG A 96 14.743 7.600 10.901 1.00 1.46 C ATOM 536 CG ARG A 96 13.857 8.845 10.815 1.00 1.73 C ATOM 537 CD ARG A 96 12.389 8.427 10.730 1.00 2.03 C ATOM 538 NE ARG A 96 12.062 7.529 11.874 1.00 2.00 N ATOM 539 CZ ARG A 96 10.816 7.281 12.172 1.00 2.45 C ATOM 540 NH1 ARG A 96 10.027 6.744 11.281 1.00 3.14 N ATOM 541 NH2 ARG A 96 10.359 7.567 13.359 1.00 2.76 N ATOM 0 H ARG A 96 14.366 6.946 8.516 1.00 1.37 H new ATOM 0 HA ARG A 96 16.174 8.732 9.759 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.146 6.703 10.735 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.174 7.515 11.898 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.015 9.477 11.689 1.00 1.73 H new ATOM 0 HG3 ARG A 96 14.128 9.437 9.941 1.00 1.73 H new ATOM 0 HD2 ARG A 96 11.747 9.308 10.750 1.00 2.03 H new ATOM 0 HD3 ARG A 96 12.199 7.916 9.786 1.00 2.03 H new ATOM 0 HE ARG A 96 12.812 7.109 12.423 1.00 2.00 H new ATOM 0 HH11 ARG A 96 10.385 6.519 10.353 1.00 3.14 H new ATOM 0 HH12 ARG A 96 9.053 6.550 11.513 1.00 3.14 H new ATOM 0 HH21 ARG A 96 10.976 7.985 14.056 1.00 2.76 H new ATOM 0 HH22 ARG A 96 9.385 7.373 13.591 1.00 2.76 H new ATOM 555 N ARG A 97 16.910 5.536 10.197 1.00 1.50 N ATOM 556 CA ARG A 97 18.030 4.642 10.607 1.00 1.59 C ATOM 557 C ARG A 97 19.288 4.986 9.807 1.00 1.69 C ATOM 558 O ARG A 97 20.365 5.115 10.353 1.00 1.84 O ATOM 559 CB ARG A 97 17.647 3.184 10.352 1.00 1.50 C ATOM 560 CG ARG A 97 18.849 2.282 10.643 1.00 1.77 C ATOM 561 CD ARG A 97 19.389 1.703 9.334 1.00 2.23 C ATOM 562 NE ARG A 97 19.827 0.296 9.555 1.00 2.70 N ATOM 563 CZ ARG A 97 20.030 -0.493 8.536 1.00 3.07 C ATOM 564 NH1 ARG A 97 20.802 -0.107 7.557 1.00 3.58 N ATOM 565 NH2 ARG A 97 19.462 -1.667 8.496 1.00 3.56 N ATOM 0 H ARG A 97 16.075 5.058 9.857 1.00 1.50 H new ATOM 0 HA ARG A 97 18.228 4.784 11.669 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.806 2.902 10.985 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.325 3.057 9.318 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.629 2.851 11.149 1.00 1.77 H new ATOM 0 HG3 ARG A 97 18.556 1.475 11.315 1.00 1.77 H new ATOM 0 HD2 ARG A 97 18.619 1.738 8.563 1.00 2.23 H new ATOM 0 HD3 ARG A 97 20.225 2.303 8.976 1.00 2.23 H new ATOM 0 HE ARG A 97 19.968 -0.051 10.504 1.00 2.70 H new ATOM 0 HH11 ARG A 97 21.246 0.811 7.589 1.00 3.58 H new ATOM 0 HH12 ARG A 97 20.961 -0.723 6.760 1.00 3.58 H new ATOM 0 HH21 ARG A 97 18.859 -1.968 9.262 1.00 3.56 H new ATOM 0 HH22 ARG A 97 19.621 -2.284 7.699 1.00 3.56 H new ATOM 579 N LEU A 98 19.164 5.130 8.517 1.00 1.64 N ATOM 580 CA LEU A 98 20.358 5.460 7.690 1.00 1.75 C ATOM 581 C LEU A 98 20.993 6.749 8.210 1.00 1.91 C ATOM 582 O LEU A 98 22.191 6.835 8.394 1.00 2.05 O ATOM 583 CB LEU A 98 19.931 5.652 6.232 1.00 1.69 C ATOM 584 CG LEU A 98 20.253 4.388 5.436 1.00 2.11 C ATOM 585 CD1 LEU A 98 19.384 4.341 4.178 1.00 2.66 C ATOM 586 CD2 LEU A 98 21.729 4.406 5.032 1.00 2.38 C ATOM 0 H LEU A 98 18.290 5.034 8.001 1.00 1.64 H new ATOM 0 HA LEU A 98 21.081 4.647 7.752 1.00 1.75 H new ATOM 0 HB2 LEU A 98 18.863 5.865 6.180 1.00 1.69 H new ATOM 0 HB3 LEU A 98 20.449 6.508 5.800 1.00 1.69 H new ATOM 0 HG LEU A 98 20.051 3.510 6.050 1.00 2.11 H new ATOM 0 HD11 LEU A 98 19.614 3.439 3.610 1.00 2.66 H new ATOM 0 HD12 LEU A 98 18.332 4.332 4.463 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.586 5.218 3.563 1.00 2.66 H new ATOM 0 HD21 LEU A 98 21.962 3.505 4.464 1.00 2.38 H new ATOM 0 HD22 LEU A 98 21.927 5.284 4.417 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.351 4.441 5.927 1.00 2.38 H new ATOM 598 N ILE A 99 20.197 7.752 8.449 1.00 1.90 N ATOM 599 CA ILE A 99 20.747 9.039 8.958 1.00 2.06 C ATOM 600 C ILE A 99 21.158 8.876 10.423 1.00 2.14 C ATOM 601 O ILE A 99 21.872 9.692 10.972 1.00 2.20 O ATOM 602 CB ILE A 99 19.670 10.116 8.856 1.00 2.05 C ATOM 603 CG1 ILE A 99 18.433 9.661 9.635 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.298 10.331 7.389 1.00 2.03 C ATOM 605 CD1 ILE A 99 17.386 10.776 9.631 1.00 2.00 C ATOM 0 H ILE A 99 19.186 7.736 8.314 1.00 1.90 H new ATOM 0 HA ILE A 99 21.617 9.325 8.366 1.00 2.06 H new ATOM 0 HB ILE A 99 20.045 11.051 9.272 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.019 8.758 9.186 1.00 1.98 H new ATOM 0 HG13 ILE A 99 18.708 9.410 10.659 1.00 1.98 H new ATOM 0 HG21 ILE A 99 18.529 11.100 7.318 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.180 10.647 6.832 1.00 2.03 H new ATOM 0 HG23 ILE A 99 18.919 9.399 6.969 1.00 2.03 H new ATOM 0 HD11 ILE A 99 16.506 10.451 10.186 1.00 2.00 H new ATOM 0 HD12 ILE A 99 17.802 11.667 10.100 1.00 2.00 H new ATOM 0 HD13 ILE A 99 17.103 11.006 8.604 1.00 2.00 H new ATOM 617 N LYS A 100 20.709 7.832 11.064 1.00 2.35 N ATOM 618 CA LYS A 100 21.069 7.622 12.494 1.00 2.45 C ATOM 619 C LYS A 100 21.747 6.259 12.656 1.00 2.85 C ATOM 620 O LYS A 100 22.186 5.655 11.698 1.00 3.21 O ATOM 621 CB LYS A 100 19.800 7.666 13.348 1.00 2.30 C ATOM 622 CG LYS A 100 19.809 8.930 14.213 1.00 2.60 C ATOM 623 CD LYS A 100 19.269 8.600 15.606 1.00 2.94 C ATOM 624 CE LYS A 100 20.437 8.294 16.547 1.00 3.56 C ATOM 625 NZ LYS A 100 20.958 9.565 17.124 1.00 3.91 N ATOM 0 H LYS A 100 20.108 7.115 10.658 1.00 2.35 H new ATOM 0 HA LYS A 100 21.753 8.407 12.817 1.00 2.45 H new ATOM 0 HB2 LYS A 100 18.918 7.657 12.708 1.00 2.30 H new ATOM 0 HB3 LYS A 100 19.744 6.780 13.981 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.822 9.324 14.288 1.00 2.60 H new ATOM 0 HG3 LYS A 100 19.199 9.705 13.749 1.00 2.60 H new ATOM 0 HD2 LYS A 100 18.688 9.438 15.991 1.00 2.94 H new ATOM 0 HD3 LYS A 100 18.596 7.744 15.554 1.00 2.94 H new ATOM 0 HE2 LYS A 100 20.110 7.627 17.345 1.00 3.56 H new ATOM 0 HE3 LYS A 100 21.229 7.777 16.005 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 21.751 9.357 17.763 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 21.285 10.186 16.357 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 20.201 10.041 17.655 1.00 3.91 H new ATOM 639 N LYS A 101 21.836 5.771 13.861 1.00 3.09 N ATOM 640 CA LYS A 101 22.485 4.448 14.082 1.00 3.63 C ATOM 641 C LYS A 101 23.807 4.394 13.313 1.00 4.10 C ATOM 642 O LYS A 101 23.810 3.863 12.214 1.00 4.56 O ATOM 643 CB LYS A 101 21.559 3.339 13.580 1.00 3.99 C ATOM 644 CG LYS A 101 20.733 2.794 14.746 1.00 4.58 C ATOM 645 CD LYS A 101 19.281 2.609 14.302 1.00 5.25 C ATOM 646 CE LYS A 101 18.555 3.954 14.355 1.00 6.09 C ATOM 647 NZ LYS A 101 17.097 3.740 14.137 1.00 6.53 N ATOM 648 OXT LYS A 101 24.795 4.883 13.837 1.00 4.44 O ATOM 0 H LYS A 101 21.488 6.230 14.703 1.00 3.09 H new ATOM 0 HA LYS A 101 22.677 4.309 15.146 1.00 3.63 H new ATOM 0 HB2 LYS A 101 20.899 3.726 12.803 1.00 3.99 H new ATOM 0 HB3 LYS A 101 22.145 2.538 13.130 1.00 3.99 H new ATOM 0 HG2 LYS A 101 21.145 1.843 15.084 1.00 4.58 H new ATOM 0 HG3 LYS A 101 20.781 3.480 15.591 1.00 4.58 H new ATOM 0 HD2 LYS A 101 19.248 2.206 13.290 1.00 5.25 H new ATOM 0 HD3 LYS A 101 18.781 1.888 14.949 1.00 5.25 H new ATOM 0 HE2 LYS A 101 18.723 4.432 15.320 1.00 6.09 H new ATOM 0 HE3 LYS A 101 18.953 4.624 13.593 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 16.603 4.654 14.173 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 16.946 3.301 13.206 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 16.723 3.115 14.879 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -1.356 -25.985 21.500 1.00 19.64 N ATOM 664 CA VAL B 62 -0.084 -25.324 21.089 1.00 19.45 C ATOM 665 C VAL B 62 -0.401 -24.083 20.253 1.00 18.79 C ATOM 666 O VAL B 62 0.260 -23.069 20.353 1.00 19.02 O ATOM 667 CB VAL B 62 0.752 -26.299 20.259 1.00 19.77 C ATOM 668 CG1 VAL B 62 0.926 -27.608 21.031 1.00 20.22 C ATOM 669 CG2 VAL B 62 0.040 -26.580 18.933 1.00 19.99 C ATOM 0 HA VAL B 62 0.476 -25.030 21.977 1.00 19.45 H new ATOM 0 HB VAL B 62 1.730 -25.861 20.061 1.00 19.77 H new ATOM 0 HG11 VAL B 62 1.522 -28.303 20.439 1.00 20.22 H new ATOM 0 HG12 VAL B 62 1.432 -27.409 21.975 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -0.052 -28.046 21.229 1.00 20.22 H new ATOM 0 HG21 VAL B 62 0.635 -27.275 18.341 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -0.938 -27.018 19.131 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -0.084 -25.648 18.382 1.00 19.99 H new ATOM 681 N GLN B 63 -1.411 -24.155 19.429 1.00 18.10 N ATOM 682 CA GLN B 63 -1.771 -22.977 18.589 1.00 17.56 C ATOM 683 C GLN B 63 -3.209 -22.556 18.898 1.00 16.86 C ATOM 684 O GLN B 63 -3.993 -23.328 19.416 1.00 16.59 O ATOM 685 CB GLN B 63 -1.653 -23.350 17.109 1.00 17.30 C ATOM 686 CG GLN B 63 -1.994 -22.135 16.245 1.00 17.01 C ATOM 687 CD GLN B 63 -1.025 -20.995 16.565 1.00 16.75 C ATOM 688 OE1 GLN B 63 -1.487 -19.783 16.708 1.00 17.03 O flip ATOM 689 NE2 GLN B 63 0.164 -21.208 16.687 1.00 16.36 N flip ATOM 0 H GLN B 63 -2.001 -24.977 19.301 1.00 18.10 H new ATOM 0 HA GLN B 63 -1.094 -22.151 18.808 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -0.642 -23.693 16.889 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -2.327 -24.175 16.877 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -1.929 -22.396 15.189 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -3.020 -21.818 16.432 1.00 17.01 H new ATOM 0 HE21 GLN B 63 0.527 -22.155 16.576 1.00 16.36 H new ATOM 0 HE22 GLN B 63 0.800 -20.440 16.901 1.00 16.36 H new ATOM 698 N LEU B 64 -3.564 -21.340 18.587 1.00 16.69 N ATOM 699 CA LEU B 64 -4.951 -20.876 18.866 1.00 16.15 C ATOM 700 C LEU B 64 -5.267 -19.646 18.021 1.00 15.61 C ATOM 701 O LEU B 64 -5.981 -18.759 18.448 1.00 15.57 O ATOM 702 CB LEU B 64 -5.086 -20.502 20.342 1.00 16.73 C ATOM 703 CG LEU B 64 -3.797 -19.836 20.830 1.00 16.88 C ATOM 704 CD1 LEU B 64 -4.111 -18.428 21.340 1.00 17.47 C ATOM 705 CD2 LEU B 64 -3.196 -20.667 21.967 1.00 17.27 C ATOM 0 H LEU B 64 -2.954 -20.648 18.152 1.00 16.69 H new ATOM 0 HA LEU B 64 -5.644 -21.681 18.622 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -5.930 -19.826 20.479 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -5.292 -21.393 20.935 1.00 16.73 H new ATOM 0 HG LEU B 64 -3.085 -19.773 20.007 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -3.193 -17.954 21.688 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -4.542 -17.836 20.532 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -4.822 -18.490 22.164 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -2.278 -20.195 22.317 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -3.909 -20.728 22.789 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -2.973 -21.671 21.605 1.00 17.27 H new ATOM 717 N ALA B 65 -4.748 -19.573 16.830 1.00 15.34 N ATOM 718 CA ALA B 65 -5.035 -18.385 15.984 1.00 14.99 C ATOM 719 C ALA B 65 -5.882 -18.802 14.779 1.00 14.10 C ATOM 720 O ALA B 65 -6.609 -18.006 14.219 1.00 13.96 O ATOM 721 CB ALA B 65 -3.721 -17.764 15.502 1.00 15.58 C ATOM 0 H ALA B 65 -4.143 -20.278 16.408 1.00 15.34 H new ATOM 0 HA ALA B 65 -5.585 -17.650 16.572 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -3.936 -16.893 14.882 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -3.126 -17.459 16.362 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -3.165 -18.497 14.918 1.00 15.58 H new ATOM 727 N HIS B 66 -5.799 -20.042 14.375 1.00 13.65 N ATOM 728 CA HIS B 66 -6.604 -20.499 13.208 1.00 12.91 C ATOM 729 C HIS B 66 -6.207 -19.697 11.966 1.00 12.30 C ATOM 730 O HIS B 66 -6.131 -18.484 11.997 1.00 12.38 O ATOM 731 CB HIS B 66 -8.091 -20.286 13.499 1.00 12.96 C ATOM 732 CG HIS B 66 -8.498 -21.122 14.681 1.00 13.34 C ATOM 733 ND1 HIS B 66 -8.903 -22.440 14.549 1.00 13.54 N ATOM 734 CD2 HIS B 66 -8.568 -20.840 16.022 1.00 13.74 C ATOM 735 CE1 HIS B 66 -9.198 -22.898 15.780 1.00 14.03 C ATOM 736 NE2 HIS B 66 -9.011 -21.963 16.715 1.00 14.18 N ATOM 0 H HIS B 66 -5.209 -20.756 14.803 1.00 13.65 H new ATOM 0 HA HIS B 66 -6.416 -21.558 13.031 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -8.285 -19.233 13.702 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -8.685 -20.558 12.627 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -8.317 -19.891 16.472 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -9.544 -23.900 15.986 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -9.161 -22.052 17.720 1.00 14.18 H new ATOM 744 N HIS B 67 -5.954 -20.363 10.874 1.00 11.87 N ATOM 745 CA HIS B 67 -5.564 -19.636 9.632 1.00 11.46 C ATOM 746 C HIS B 67 -6.396 -20.153 8.456 1.00 10.55 C ATOM 747 O HIS B 67 -6.271 -21.292 8.049 1.00 10.53 O ATOM 748 CB HIS B 67 -4.078 -19.868 9.351 1.00 11.84 C ATOM 749 CG HIS B 67 -3.258 -18.885 10.142 1.00 12.35 C ATOM 750 ND1 HIS B 67 -3.300 -18.836 11.526 1.00 12.68 N ATOM 751 CD2 HIS B 67 -2.372 -17.910 9.758 1.00 12.80 C ATOM 752 CE1 HIS B 67 -2.462 -17.861 11.923 1.00 13.29 C ATOM 753 NE2 HIS B 67 -1.870 -17.264 10.884 1.00 13.39 N ATOM 0 H HIS B 67 -6.000 -21.378 10.787 1.00 11.87 H new ATOM 0 HA HIS B 67 -5.745 -18.569 9.762 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -3.801 -20.888 9.619 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -3.876 -19.752 8.286 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -2.105 -17.679 8.737 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -2.289 -17.594 12.955 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -1.195 -16.499 10.911 1.00 13.39 H new ATOM 761 N PHE B 68 -7.246 -19.328 7.909 1.00 10.00 N ATOM 762 CA PHE B 68 -8.087 -19.773 6.762 1.00 9.29 C ATOM 763 C PHE B 68 -8.130 -18.671 5.700 1.00 8.27 C ATOM 764 O PHE B 68 -8.003 -17.500 6.001 1.00 8.29 O ATOM 765 CB PHE B 68 -9.507 -20.061 7.255 1.00 9.52 C ATOM 766 CG PHE B 68 -9.937 -18.975 8.211 1.00 10.43 C ATOM 767 CD1 PHE B 68 -10.255 -17.700 7.727 1.00 10.86 C ATOM 768 CD2 PHE B 68 -10.015 -19.241 9.585 1.00 11.07 C ATOM 769 CE1 PHE B 68 -10.653 -16.693 8.614 1.00 11.86 C ATOM 770 CE2 PHE B 68 -10.412 -18.233 10.472 1.00 12.06 C ATOM 771 CZ PHE B 68 -10.732 -16.960 9.986 1.00 12.43 C ATOM 0 H PHE B 68 -7.395 -18.364 8.207 1.00 10.00 H new ATOM 0 HA PHE B 68 -7.660 -20.677 6.328 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -10.194 -20.110 6.410 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -9.542 -21.031 7.750 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -10.193 -17.494 6.669 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -9.769 -20.224 9.960 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -10.899 -15.710 8.240 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -10.471 -18.438 11.531 1.00 12.06 H new ATOM 0 HZ PHE B 68 -11.040 -16.183 10.670 1.00 12.43 H new ATOM 781 N SER B 69 -8.313 -19.033 4.459 1.00 7.61 N ATOM 782 CA SER B 69 -8.367 -18.005 3.381 1.00 6.80 C ATOM 783 C SER B 69 -9.682 -18.146 2.611 1.00 5.60 C ATOM 784 O SER B 69 -9.997 -19.200 2.093 1.00 5.39 O ATOM 785 CB SER B 69 -7.189 -18.205 2.425 1.00 7.36 C ATOM 786 OG SER B 69 -6.207 -17.206 2.670 1.00 8.12 O ATOM 0 H SER B 69 -8.427 -19.997 4.145 1.00 7.61 H new ATOM 0 HA SER B 69 -8.309 -17.010 3.822 1.00 6.80 H new ATOM 0 HB2 SER B 69 -6.758 -19.196 2.564 1.00 7.36 H new ATOM 0 HB3 SER B 69 -7.531 -18.148 1.392 1.00 7.36 H new ATOM 0 HG SER B 69 -6.624 -16.440 3.117 1.00 8.12 H new ATOM 792 N GLU B 70 -10.452 -17.095 2.538 1.00 5.12 N ATOM 793 CA GLU B 70 -11.749 -17.168 1.810 1.00 4.22 C ATOM 794 C GLU B 70 -12.641 -15.984 2.209 1.00 3.04 C ATOM 795 O GLU B 70 -13.138 -15.274 1.356 1.00 3.18 O ATOM 796 CB GLU B 70 -12.459 -18.478 2.161 1.00 4.88 C ATOM 797 CG GLU B 70 -12.493 -19.385 0.930 1.00 5.77 C ATOM 798 CD GLU B 70 -13.164 -18.647 -0.229 1.00 6.71 C ATOM 799 OE1 GLU B 70 -14.260 -18.147 -0.031 1.00 7.09 O ATOM 800 OE2 GLU B 70 -12.572 -18.594 -1.293 1.00 7.29 O ATOM 0 H GLU B 70 -10.238 -16.188 2.952 1.00 5.12 H new ATOM 0 HA GLU B 70 -11.558 -17.129 0.738 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -11.940 -18.977 2.980 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -13.473 -18.274 2.504 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -11.480 -19.676 0.652 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -13.038 -20.302 1.155 1.00 5.77 H new ATOM 807 N PRO B 71 -12.833 -15.814 3.496 1.00 2.28 N ATOM 808 CA PRO B 71 -13.681 -14.729 4.029 1.00 1.48 C ATOM 809 C PRO B 71 -13.142 -13.346 3.637 1.00 1.33 C ATOM 810 O PRO B 71 -12.040 -13.199 3.132 1.00 1.29 O ATOM 811 CB PRO B 71 -13.643 -14.910 5.552 1.00 2.00 C ATOM 812 CG PRO B 71 -12.770 -16.154 5.858 1.00 2.71 C ATOM 813 CD PRO B 71 -12.227 -16.685 4.523 1.00 2.87 C ATOM 0 HA PRO B 71 -14.693 -14.780 3.628 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -13.228 -14.024 6.032 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -14.650 -15.043 5.946 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -11.950 -15.891 6.526 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -13.359 -16.920 6.363 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -11.139 -16.636 4.491 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -12.504 -17.728 4.370 1.00 2.87 H new ATOM 821 N GLU B 72 -13.922 -12.327 3.873 1.00 1.30 N ATOM 822 CA GLU B 72 -13.484 -10.948 3.528 1.00 1.19 C ATOM 823 C GLU B 72 -12.111 -10.677 4.142 1.00 1.06 C ATOM 824 O GLU B 72 -11.235 -10.141 3.502 1.00 1.01 O ATOM 825 CB GLU B 72 -14.497 -9.939 4.073 1.00 1.29 C ATOM 826 CG GLU B 72 -14.724 -10.197 5.565 1.00 1.90 C ATOM 827 CD GLU B 72 -15.793 -9.240 6.093 1.00 2.25 C ATOM 828 OE1 GLU B 72 -16.859 -9.187 5.501 1.00 2.89 O ATOM 829 OE2 GLU B 72 -15.529 -8.576 7.083 1.00 2.52 O ATOM 0 H GLU B 72 -14.849 -12.393 4.293 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.420 -10.849 2.444 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.132 -8.923 3.920 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -15.439 -10.025 3.531 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.036 -11.230 5.723 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -13.793 -10.058 6.114 1.00 1.90 H new ATOM 836 N ILE B 73 -11.915 -11.038 5.381 1.00 1.07 N ATOM 837 CA ILE B 73 -10.600 -10.791 6.023 1.00 0.98 C ATOM 838 C ILE B 73 -9.477 -11.252 5.096 1.00 0.89 C ATOM 839 O ILE B 73 -8.504 -10.554 4.893 1.00 0.82 O ATOM 840 CB ILE B 73 -10.524 -11.565 7.335 1.00 1.09 C ATOM 841 CG1 ILE B 73 -9.300 -11.094 8.108 1.00 1.29 C ATOM 842 CG2 ILE B 73 -10.402 -13.061 7.041 1.00 1.27 C ATOM 843 CD1 ILE B 73 -9.691 -9.925 9.010 1.00 2.11 C ATOM 0 H ILE B 73 -12.610 -11.493 5.973 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.490 -9.724 6.219 1.00 0.98 H new ATOM 0 HB ILE B 73 -11.425 -11.391 7.923 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.897 -11.911 8.707 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -8.515 -10.788 7.417 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -10.348 -13.613 7.979 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -11.272 -13.393 6.475 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -9.499 -13.245 6.459 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -8.817 -9.585 9.565 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -10.074 -9.107 8.400 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -10.462 -10.247 9.710 1.00 2.11 H new ATOM 855 N THR B 74 -9.596 -12.422 4.533 1.00 0.92 N ATOM 856 CA THR B 74 -8.526 -12.911 3.623 1.00 0.87 C ATOM 857 C THR B 74 -8.398 -11.945 2.443 1.00 0.77 C ATOM 858 O THR B 74 -7.312 -11.541 2.076 1.00 0.69 O ATOM 859 CB THR B 74 -8.866 -14.335 3.145 1.00 0.99 C ATOM 860 OG1 THR B 74 -7.668 -15.093 3.046 1.00 1.57 O ATOM 861 CG2 THR B 74 -9.561 -14.306 1.777 1.00 1.43 C ATOM 0 H THR B 74 -10.384 -13.057 4.663 1.00 0.92 H new ATOM 0 HA THR B 74 -7.571 -12.950 4.147 1.00 0.87 H new ATOM 0 HB THR B 74 -9.544 -14.790 3.867 1.00 0.99 H new ATOM 0 HG1 THR B 74 -7.328 -15.050 2.128 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.790 -15.325 1.463 1.00 1.43 H new ATOM 0 HG22 THR B 74 -10.485 -13.733 1.850 1.00 1.43 H new ATOM 0 HG23 THR B 74 -8.902 -13.840 1.044 1.00 1.43 H new ATOM 869 N LEU B 75 -9.498 -11.567 1.846 1.00 0.81 N ATOM 870 CA LEU B 75 -9.416 -10.620 0.692 1.00 0.74 C ATOM 871 C LEU B 75 -8.860 -9.281 1.176 1.00 0.62 C ATOM 872 O LEU B 75 -7.964 -8.722 0.576 1.00 0.52 O ATOM 873 CB LEU B 75 -10.808 -10.407 0.088 1.00 0.87 C ATOM 874 CG LEU B 75 -10.673 -9.985 -1.379 1.00 1.11 C ATOM 875 CD1 LEU B 75 -12.011 -9.437 -1.878 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.602 -8.898 -1.507 1.00 1.63 C ATOM 0 H LEU B 75 -10.438 -11.868 2.102 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.758 -11.039 -0.070 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.391 -11.325 0.161 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.346 -9.642 0.649 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.385 -10.850 -1.976 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.915 -9.137 -2.921 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.775 -10.209 -1.791 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.298 -8.574 -1.277 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.509 -8.600 -2.551 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.887 -8.034 -0.907 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.646 -9.285 -1.153 1.00 1.63 H new ATOM 888 N ILE B 76 -9.369 -8.762 2.260 1.00 0.66 N ATOM 889 CA ILE B 76 -8.847 -7.467 2.771 1.00 0.59 C ATOM 890 C ILE B 76 -7.347 -7.614 3.010 1.00 0.48 C ATOM 891 O ILE B 76 -6.556 -6.795 2.585 1.00 0.39 O ATOM 892 CB ILE B 76 -9.549 -7.118 4.082 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.053 -6.992 3.829 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.009 -5.788 4.612 1.00 0.73 C ATOM 895 CD1 ILE B 76 -11.802 -7.038 5.162 1.00 1.02 C ATOM 0 H ILE B 76 -10.120 -9.178 2.810 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.032 -6.672 2.049 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.364 -7.902 4.816 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.268 -6.057 3.311 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.392 -7.800 3.181 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.510 -5.539 5.547 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -7.937 -5.874 4.786 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.195 -5.002 3.880 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -12.873 -6.948 4.981 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.597 -7.984 5.662 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.471 -6.214 5.794 1.00 1.02 H new ATOM 907 N ILE B 77 -6.944 -8.669 3.666 1.00 0.51 N ATOM 908 CA ILE B 77 -5.490 -8.880 3.899 1.00 0.45 C ATOM 909 C ILE B 77 -4.781 -8.906 2.545 1.00 0.35 C ATOM 910 O ILE B 77 -3.771 -8.263 2.344 1.00 0.30 O ATOM 911 CB ILE B 77 -5.269 -10.209 4.622 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.716 -10.078 6.080 1.00 1.19 C ATOM 913 CG2 ILE B 77 -3.784 -10.574 4.578 1.00 1.41 C ATOM 914 CD1 ILE B 77 -5.883 -11.471 6.690 1.00 1.86 C ATOM 0 H ILE B 77 -7.557 -9.389 4.048 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.091 -8.075 4.515 1.00 0.45 H new ATOM 0 HB ILE B 77 -5.851 -10.989 4.131 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -4.981 -9.507 6.647 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -6.657 -9.530 6.135 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -3.627 -11.521 5.094 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.463 -10.668 3.541 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -3.203 -9.793 5.069 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -6.201 -11.378 7.728 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -6.634 -12.026 6.129 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -4.932 -12.003 6.648 1.00 1.86 H new ATOM 926 N PHE B 78 -5.316 -9.649 1.609 1.00 0.37 N ATOM 927 CA PHE B 78 -4.686 -9.722 0.260 1.00 0.34 C ATOM 928 C PHE B 78 -4.582 -8.316 -0.330 1.00 0.29 C ATOM 929 O PHE B 78 -3.550 -7.920 -0.835 1.00 0.27 O ATOM 930 CB PHE B 78 -5.539 -10.598 -0.663 1.00 0.44 C ATOM 931 CG PHE B 78 -5.173 -12.049 -0.462 1.00 1.05 C ATOM 932 CD1 PHE B 78 -4.761 -12.499 0.798 1.00 1.97 C ATOM 933 CD2 PHE B 78 -5.247 -12.944 -1.536 1.00 1.80 C ATOM 934 CE1 PHE B 78 -4.420 -13.844 0.984 1.00 2.71 C ATOM 935 CE2 PHE B 78 -4.907 -14.289 -1.350 1.00 2.57 C ATOM 936 CZ PHE B 78 -4.494 -14.739 -0.090 1.00 2.81 C ATOM 0 H PHE B 78 -6.162 -10.207 1.723 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.690 -10.156 0.351 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.597 -10.446 -0.450 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.379 -10.312 -1.703 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -4.706 -11.809 1.627 1.00 1.97 H new ATOM 0 HD2 PHE B 78 -5.566 -12.597 -2.508 1.00 1.80 H new ATOM 0 HE1 PHE B 78 -4.100 -14.191 1.955 1.00 2.71 H new ATOM 0 HE2 PHE B 78 -4.963 -14.980 -2.178 1.00 2.57 H new ATOM 0 HZ PHE B 78 -4.232 -15.777 0.053 1.00 2.81 H new ATOM 946 N GLY B 79 -5.642 -7.556 -0.269 1.00 0.30 N ATOM 947 CA GLY B 79 -5.590 -6.175 -0.826 1.00 0.28 C ATOM 948 C GLY B 79 -4.458 -5.404 -0.148 1.00 0.22 C ATOM 949 O GLY B 79 -3.655 -4.764 -0.797 1.00 0.23 O ATOM 0 H GLY B 79 -6.536 -7.830 0.140 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.428 -6.210 -1.903 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.541 -5.668 -0.663 1.00 0.28 H new ATOM 953 N VAL B 80 -4.379 -5.470 1.154 1.00 0.22 N ATOM 954 CA VAL B 80 -3.287 -4.750 1.866 1.00 0.23 C ATOM 955 C VAL B 80 -1.941 -5.237 1.325 1.00 0.22 C ATOM 956 O VAL B 80 -1.070 -4.454 0.990 1.00 0.23 O ATOM 957 CB VAL B 80 -3.382 -5.044 3.365 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.238 -4.340 4.098 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.724 -4.528 3.898 1.00 0.30 C ATOM 0 H VAL B 80 -5.021 -5.990 1.752 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.378 -3.676 1.706 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.311 -6.119 3.531 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.306 -4.550 5.165 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.284 -4.703 3.717 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.308 -3.265 3.934 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.796 -4.736 4.966 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.792 -3.453 3.732 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.540 -5.028 3.376 1.00 0.30 H new ATOM 969 N MET B 81 -1.774 -6.527 1.217 1.00 0.22 N ATOM 970 CA MET B 81 -0.499 -7.076 0.678 1.00 0.23 C ATOM 971 C MET B 81 -0.252 -6.508 -0.721 1.00 0.24 C ATOM 972 O MET B 81 0.831 -6.064 -1.043 1.00 0.25 O ATOM 973 CB MET B 81 -0.588 -8.602 0.604 1.00 0.26 C ATOM 974 CG MET B 81 -0.752 -9.172 2.013 1.00 0.32 C ATOM 975 SD MET B 81 0.750 -10.066 2.482 1.00 1.15 S ATOM 976 CE MET B 81 -0.001 -11.703 2.647 1.00 1.83 C ATOM 0 H MET B 81 -2.469 -7.226 1.480 1.00 0.22 H new ATOM 0 HA MET B 81 0.324 -6.795 1.335 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.431 -8.898 -0.020 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.310 -9.007 0.139 1.00 0.26 H new ATOM 0 HG2 MET B 81 -0.945 -8.367 2.722 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.612 -9.841 2.048 1.00 0.32 H new ATOM 0 HE1 MET B 81 0.762 -12.426 2.937 1.00 1.83 H new ATOM 0 HE2 MET B 81 -0.779 -11.671 3.410 1.00 1.83 H new ATOM 0 HE3 MET B 81 -0.439 -12.000 1.694 1.00 1.83 H new ATOM 986 N ALA B 82 -1.257 -6.526 -1.556 1.00 0.25 N ATOM 987 CA ALA B 82 -1.093 -5.996 -2.939 1.00 0.27 C ATOM 988 C ALA B 82 -0.621 -4.539 -2.880 1.00 0.26 C ATOM 989 O ALA B 82 0.297 -4.155 -3.577 1.00 0.27 O ATOM 990 CB ALA B 82 -2.421 -6.100 -3.705 1.00 0.31 C ATOM 0 H ALA B 82 -2.186 -6.886 -1.338 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.344 -6.588 -3.465 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.290 -5.710 -4.714 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.731 -7.144 -3.756 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.186 -5.520 -3.188 1.00 0.31 H new ATOM 996 N GLY B 83 -1.227 -3.717 -2.058 1.00 0.25 N ATOM 997 CA GLY B 83 -0.781 -2.299 -1.982 1.00 0.26 C ATOM 998 C GLY B 83 0.704 -2.269 -1.628 1.00 0.24 C ATOM 999 O GLY B 83 1.485 -1.569 -2.244 1.00 0.24 O ATOM 0 H GLY B 83 -2.002 -3.967 -1.444 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -0.952 -1.798 -2.935 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.359 -1.761 -1.231 1.00 0.26 H new ATOM 1003 N VAL B 84 1.104 -3.029 -0.645 1.00 0.22 N ATOM 1004 CA VAL B 84 2.544 -3.046 -0.261 1.00 0.21 C ATOM 1005 C VAL B 84 3.391 -3.436 -1.477 1.00 0.21 C ATOM 1006 O VAL B 84 4.386 -2.805 -1.777 1.00 0.21 O ATOM 1007 CB VAL B 84 2.762 -4.066 0.855 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.237 -4.067 1.264 1.00 0.28 C ATOM 1009 CG2 VAL B 84 1.900 -3.692 2.061 1.00 0.31 C ATOM 0 H VAL B 84 0.498 -3.637 -0.093 1.00 0.22 H new ATOM 0 HA VAL B 84 2.838 -2.056 0.087 1.00 0.21 H new ATOM 0 HB VAL B 84 2.482 -5.058 0.501 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.393 -4.795 2.060 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.853 -4.332 0.404 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.517 -3.075 1.619 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.055 -4.419 2.858 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.181 -2.700 2.415 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.849 -3.690 1.771 1.00 0.31 H new ATOM 1019 N ILE B 85 3.011 -4.469 -2.180 1.00 0.23 N ATOM 1020 CA ILE B 85 3.801 -4.889 -3.371 1.00 0.25 C ATOM 1021 C ILE B 85 3.909 -3.723 -4.359 1.00 0.26 C ATOM 1022 O ILE B 85 4.974 -3.417 -4.854 1.00 0.26 O ATOM 1023 CB ILE B 85 3.109 -6.071 -4.053 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.037 -7.250 -3.079 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.905 -6.484 -5.294 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.071 -8.304 -3.625 1.00 1.06 C ATOM 0 H ILE B 85 2.189 -5.039 -1.981 1.00 0.23 H new ATOM 0 HA ILE B 85 4.800 -5.185 -3.052 1.00 0.25 H new ATOM 0 HB ILE B 85 2.101 -5.780 -4.349 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.027 -7.684 -2.943 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.702 -6.907 -2.100 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.411 -7.326 -5.779 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.958 -5.645 -5.988 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.913 -6.775 -4.999 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.019 -9.144 -2.932 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.080 -7.865 -3.738 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.425 -8.655 -4.594 1.00 1.06 H new ATOM 1038 N GLY B 86 2.815 -3.068 -4.650 1.00 0.27 N ATOM 1039 CA GLY B 86 2.868 -1.924 -5.603 1.00 0.30 C ATOM 1040 C GLY B 86 3.866 -0.885 -5.093 1.00 0.27 C ATOM 1041 O GLY B 86 4.703 -0.399 -5.827 1.00 0.29 O ATOM 0 H GLY B 86 1.892 -3.276 -4.270 1.00 0.27 H new ATOM 0 HA2 GLY B 86 3.164 -2.274 -6.592 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.880 -1.476 -5.706 1.00 0.30 H new ATOM 1045 N THR B 87 3.785 -0.544 -3.837 1.00 0.24 N ATOM 1046 CA THR B 87 4.731 0.459 -3.272 1.00 0.24 C ATOM 1047 C THR B 87 6.167 -0.020 -3.489 1.00 0.24 C ATOM 1048 O THR B 87 7.021 0.725 -3.928 1.00 0.28 O ATOM 1049 CB THR B 87 4.467 0.628 -1.774 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.090 0.918 -1.568 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.320 1.778 -1.234 1.00 0.28 C ATOM 0 H THR B 87 3.103 -0.917 -3.176 1.00 0.24 H new ATOM 0 HA THR B 87 4.587 1.417 -3.772 1.00 0.24 H new ATOM 0 HB THR B 87 4.726 -0.292 -1.250 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.569 0.090 -1.627 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.133 1.900 -0.167 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.375 1.555 -1.395 1.00 0.28 H new ATOM 0 HG23 THR B 87 5.060 2.699 -1.755 1.00 0.28 H new ATOM 1059 N ILE B 88 6.442 -1.260 -3.187 1.00 0.23 N ATOM 1060 CA ILE B 88 7.825 -1.780 -3.378 1.00 0.29 C ATOM 1061 C ILE B 88 8.236 -1.587 -4.837 1.00 0.33 C ATOM 1062 O ILE B 88 9.314 -1.106 -5.128 1.00 0.40 O ATOM 1063 CB ILE B 88 7.870 -3.267 -3.025 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.759 -3.431 -1.507 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.193 -3.865 -3.505 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.822 -4.916 -1.148 1.00 0.41 C ATOM 0 H ILE B 88 5.771 -1.933 -2.817 1.00 0.23 H new ATOM 0 HA ILE B 88 8.512 -1.238 -2.728 1.00 0.29 H new ATOM 0 HB ILE B 88 7.041 -3.782 -3.510 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.567 -2.892 -1.012 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.823 -2.999 -1.151 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.226 -4.925 -3.254 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.276 -3.746 -4.585 1.00 0.40 H new ATOM 0 HG23 ILE B 88 10.022 -3.351 -3.019 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.743 -5.033 -0.067 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.999 -5.442 -1.631 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.769 -5.333 -1.490 1.00 0.41 H new ATOM 1078 N LEU B 89 7.385 -1.944 -5.760 1.00 0.33 N ATOM 1079 CA LEU B 89 7.733 -1.762 -7.193 1.00 0.41 C ATOM 1080 C LEU B 89 8.054 -0.279 -7.419 1.00 0.44 C ATOM 1081 O LEU B 89 9.048 0.067 -8.025 1.00 0.51 O ATOM 1082 CB LEU B 89 6.543 -2.232 -8.063 1.00 0.44 C ATOM 1083 CG LEU B 89 6.148 -1.166 -9.089 1.00 0.76 C ATOM 1084 CD1 LEU B 89 7.275 -0.997 -10.110 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.868 -1.598 -9.809 1.00 1.06 C ATOM 0 H LEU B 89 6.467 -2.352 -5.582 1.00 0.33 H new ATOM 0 HA LEU B 89 8.604 -2.355 -7.472 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.809 -3.155 -8.578 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.690 -2.458 -7.424 1.00 0.44 H new ATOM 0 HG LEU B 89 5.975 -0.219 -8.579 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.994 -0.238 -10.840 1.00 1.14 H new ATOM 0 HD12 LEU B 89 8.186 -0.688 -9.598 1.00 1.14 H new ATOM 0 HD13 LEU B 89 7.449 -1.944 -10.620 1.00 1.14 H new ATOM 0 HD21 LEU B 89 4.587 -0.839 -10.539 1.00 1.06 H new ATOM 0 HD22 LEU B 89 5.040 -2.546 -10.319 1.00 1.06 H new ATOM 0 HD23 LEU B 89 4.064 -1.717 -9.082 1.00 1.06 H new ATOM 1097 N LEU B 90 7.222 0.597 -6.921 1.00 0.40 N ATOM 1098 CA LEU B 90 7.486 2.055 -7.090 1.00 0.47 C ATOM 1099 C LEU B 90 8.860 2.387 -6.503 1.00 0.51 C ATOM 1100 O LEU B 90 9.660 3.068 -7.115 1.00 0.60 O ATOM 1101 CB LEU B 90 6.412 2.865 -6.354 1.00 0.47 C ATOM 1102 CG LEU B 90 6.285 4.248 -6.995 1.00 1.14 C ATOM 1103 CD1 LEU B 90 5.671 4.110 -8.390 1.00 2.02 C ATOM 1104 CD2 LEU B 90 5.384 5.133 -6.129 1.00 1.67 C ATOM 0 H LEU B 90 6.373 0.366 -6.406 1.00 0.40 H new ATOM 0 HA LEU B 90 7.464 2.307 -8.150 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.456 2.344 -6.397 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.674 2.964 -5.301 1.00 0.47 H new ATOM 0 HG LEU B 90 7.273 4.702 -7.075 1.00 1.14 H new ATOM 0 HD11 LEU B 90 5.580 5.096 -8.847 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.311 3.481 -9.009 1.00 2.02 H new ATOM 0 HD13 LEU B 90 4.684 3.655 -8.310 1.00 2.02 H new ATOM 0 HD21 LEU B 90 5.294 6.118 -6.586 1.00 1.67 H new ATOM 0 HD22 LEU B 90 4.396 4.679 -6.049 1.00 1.67 H new ATOM 0 HD23 LEU B 90 5.819 5.233 -5.135 1.00 1.67 H new ATOM 1116 N ILE B 91 9.139 1.910 -5.319 1.00 0.47 N ATOM 1117 CA ILE B 91 10.461 2.198 -4.689 1.00 0.57 C ATOM 1118 C ILE B 91 11.579 1.719 -5.610 1.00 0.65 C ATOM 1119 O ILE B 91 12.525 2.434 -5.869 1.00 0.77 O ATOM 1120 CB ILE B 91 10.560 1.465 -3.349 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.605 2.110 -2.342 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.994 1.557 -2.821 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.418 1.173 -1.148 1.00 0.54 C ATOM 0 H ILE B 91 8.509 1.334 -4.761 1.00 0.47 H new ATOM 0 HA ILE B 91 10.557 3.271 -4.525 1.00 0.57 H new ATOM 0 HB ILE B 91 10.290 0.418 -3.488 1.00 0.55 H new ATOM 0 HG12 ILE B 91 10.004 3.068 -2.008 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.643 2.312 -2.814 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.065 1.035 -1.867 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.676 1.098 -3.537 1.00 0.66 H new ATOM 0 HG23 ILE B 91 12.264 2.604 -2.683 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.738 1.631 -0.429 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.001 0.226 -1.490 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.382 0.994 -0.672 1.00 0.54 H new ATOM 1135 N SER B 92 11.480 0.522 -6.121 1.00 0.63 N ATOM 1136 CA SER B 92 12.549 0.035 -7.031 1.00 0.76 C ATOM 1137 C SER B 92 12.671 1.019 -8.188 1.00 0.83 C ATOM 1138 O SER B 92 13.752 1.452 -8.540 1.00 0.95 O ATOM 1139 CB SER B 92 12.181 -1.348 -7.566 1.00 0.74 C ATOM 1140 OG SER B 92 12.159 -2.277 -6.491 1.00 1.53 O ATOM 0 H SER B 92 10.715 -0.131 -5.950 1.00 0.63 H new ATOM 0 HA SER B 92 13.496 -0.039 -6.496 1.00 0.76 H new ATOM 0 HB2 SER B 92 11.206 -1.315 -8.053 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.903 -1.663 -8.319 1.00 0.74 H new ATOM 0 HG SER B 92 11.921 -3.165 -6.831 1.00 1.53 H new ATOM 1146 N TYR B 93 11.566 1.396 -8.772 1.00 0.77 N ATOM 1147 CA TYR B 93 11.619 2.373 -9.892 1.00 0.87 C ATOM 1148 C TYR B 93 12.305 3.654 -9.409 1.00 0.94 C ATOM 1149 O TYR B 93 13.190 4.175 -10.056 1.00 1.07 O ATOM 1150 CB TYR B 93 10.195 2.698 -10.349 1.00 0.83 C ATOM 1151 CG TYR B 93 10.236 3.359 -11.706 1.00 1.09 C ATOM 1152 CD1 TYR B 93 10.907 2.739 -12.767 1.00 1.74 C ATOM 1153 CD2 TYR B 93 9.601 4.591 -11.903 1.00 1.68 C ATOM 1154 CE1 TYR B 93 10.942 3.352 -14.026 1.00 1.99 C ATOM 1155 CE2 TYR B 93 9.636 5.203 -13.161 1.00 2.03 C ATOM 1156 CZ TYR B 93 10.306 4.583 -14.222 1.00 1.84 C ATOM 1157 OH TYR B 93 10.341 5.188 -15.462 1.00 2.25 O ATOM 0 H TYR B 93 10.633 1.070 -8.522 1.00 0.77 H new ATOM 0 HA TYR B 93 12.180 1.949 -10.725 1.00 0.87 H new ATOM 0 HB2 TYR B 93 9.600 1.786 -10.396 1.00 0.83 H new ATOM 0 HB3 TYR B 93 9.712 3.357 -9.627 1.00 0.83 H new ATOM 0 HD1 TYR B 93 11.397 1.789 -12.615 1.00 1.74 H new ATOM 0 HD2 TYR B 93 9.084 5.069 -11.084 1.00 1.68 H new ATOM 0 HE1 TYR B 93 11.460 2.875 -14.845 1.00 1.99 H new ATOM 0 HE2 TYR B 93 9.146 6.153 -13.313 1.00 2.03 H new ATOM 0 HH TYR B 93 9.850 6.035 -15.426 1.00 2.25 H new ATOM 1167 N GLY B 94 11.909 4.161 -8.268 1.00 0.88 N ATOM 1168 CA GLY B 94 12.549 5.401 -7.745 1.00 0.98 C ATOM 1169 C GLY B 94 14.054 5.172 -7.601 1.00 1.10 C ATOM 1170 O GLY B 94 14.859 5.977 -8.027 1.00 1.24 O ATOM 0 H GLY B 94 11.173 3.770 -7.680 1.00 0.88 H new ATOM 0 HA2 GLY B 94 12.360 6.235 -8.421 1.00 0.98 H new ATOM 0 HA3 GLY B 94 12.116 5.668 -6.781 1.00 0.98 H new ATOM 1174 N ILE B 95 14.438 4.073 -7.010 1.00 1.07 N ATOM 1175 CA ILE B 95 15.893 3.788 -6.847 1.00 1.22 C ATOM 1176 C ILE B 95 16.562 3.791 -8.225 1.00 1.34 C ATOM 1177 O ILE B 95 17.602 4.388 -8.421 1.00 1.50 O ATOM 1178 CB ILE B 95 16.082 2.421 -6.171 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.902 2.577 -4.660 1.00 1.37 C ATOM 1180 CG2 ILE B 95 17.490 1.885 -6.453 1.00 1.50 C ATOM 1181 CD1 ILE B 95 14.499 2.117 -4.260 1.00 1.81 C ATOM 0 H ILE B 95 13.810 3.362 -6.634 1.00 1.07 H new ATOM 0 HA ILE B 95 16.350 4.554 -6.221 1.00 1.22 H new ATOM 0 HB ILE B 95 15.345 1.723 -6.567 1.00 1.20 H new ATOM 0 HG12 ILE B 95 16.653 1.989 -4.132 1.00 1.37 H new ATOM 0 HG13 ILE B 95 16.051 3.618 -4.371 1.00 1.37 H new ATOM 0 HG21 ILE B 95 17.614 0.916 -5.970 1.00 1.50 H new ATOM 0 HG22 ILE B 95 17.629 1.774 -7.528 1.00 1.50 H new ATOM 0 HG23 ILE B 95 18.230 2.583 -6.062 1.00 1.50 H new ATOM 0 HD11 ILE B 95 14.373 2.229 -3.183 1.00 1.81 H new ATOM 0 HD12 ILE B 95 13.756 2.724 -4.778 1.00 1.81 H new ATOM 0 HD13 ILE B 95 14.367 1.070 -4.534 1.00 1.81 H new ATOM 1193 N ARG B 96 15.974 3.123 -9.182 1.00 1.29 N ATOM 1194 CA ARG B 96 16.580 3.083 -10.541 1.00 1.42 C ATOM 1195 C ARG B 96 16.753 4.512 -11.062 1.00 1.52 C ATOM 1196 O ARG B 96 17.798 4.878 -11.564 1.00 1.68 O ATOM 1197 CB ARG B 96 15.656 2.309 -11.485 1.00 1.36 C ATOM 1198 CG ARG B 96 15.624 0.834 -11.076 1.00 1.61 C ATOM 1199 CD ARG B 96 15.618 -0.042 -12.331 1.00 1.77 C ATOM 1200 NE ARG B 96 14.277 -0.669 -12.495 1.00 1.70 N ATOM 1201 CZ ARG B 96 13.946 -1.210 -13.636 1.00 2.10 C ATOM 1202 NH1 ARG B 96 14.592 -2.255 -14.076 1.00 2.54 N ATOM 1203 NH2 ARG B 96 12.968 -0.706 -14.338 1.00 2.69 N ATOM 0 H ARG B 96 15.102 2.605 -9.080 1.00 1.29 H new ATOM 0 HA ARG B 96 17.551 2.591 -10.493 1.00 1.42 H new ATOM 0 HB2 ARG B 96 14.650 2.728 -11.451 1.00 1.36 H new ATOM 0 HB3 ARG B 96 16.006 2.404 -12.513 1.00 1.36 H new ATOM 0 HG2 ARG B 96 16.491 0.598 -10.458 1.00 1.61 H new ATOM 0 HG3 ARG B 96 14.738 0.631 -10.474 1.00 1.61 H new ATOM 0 HD2 ARG B 96 15.859 0.559 -13.208 1.00 1.77 H new ATOM 0 HD3 ARG B 96 16.384 -0.813 -12.252 1.00 1.77 H new ATOM 0 HE ARG B 96 13.618 -0.676 -11.717 1.00 1.70 H new ATOM 0 HH11 ARG B 96 15.356 -2.650 -13.528 1.00 2.54 H new ATOM 0 HH12 ARG B 96 14.332 -2.677 -14.968 1.00 2.54 H new ATOM 0 HH21 ARG B 96 12.462 0.111 -13.995 1.00 2.69 H new ATOM 0 HH22 ARG B 96 12.709 -1.129 -15.230 1.00 2.69 H new ATOM 1217 N ARG B 97 15.737 5.322 -10.946 1.00 1.43 N ATOM 1218 CA ARG B 97 15.844 6.728 -11.434 1.00 1.55 C ATOM 1219 C ARG B 97 17.012 7.432 -10.743 1.00 1.67 C ATOM 1220 O ARG B 97 17.814 8.090 -11.374 1.00 1.83 O ATOM 1221 CB ARG B 97 14.549 7.492 -11.140 1.00 1.45 C ATOM 1222 CG ARG B 97 13.795 7.736 -12.448 1.00 1.62 C ATOM 1223 CD ARG B 97 13.815 9.230 -12.778 1.00 1.72 C ATOM 1224 NE ARG B 97 12.605 9.580 -13.573 1.00 2.17 N ATOM 1225 CZ ARG B 97 12.253 10.829 -13.710 1.00 2.50 C ATOM 1226 NH1 ARG B 97 13.046 11.669 -14.318 1.00 3.17 N ATOM 1227 NH2 ARG B 97 11.107 11.240 -13.239 1.00 2.89 N ATOM 0 H ARG B 97 14.838 5.072 -10.535 1.00 1.43 H new ATOM 0 HA ARG B 97 16.014 6.709 -12.511 1.00 1.55 H new ATOM 0 HB2 ARG B 97 13.927 6.923 -10.449 1.00 1.45 H new ATOM 0 HB3 ARG B 97 14.776 8.442 -10.656 1.00 1.45 H new ATOM 0 HG2 ARG B 97 14.255 7.168 -13.257 1.00 1.62 H new ATOM 0 HG3 ARG B 97 12.767 7.386 -12.358 1.00 1.62 H new ATOM 0 HD2 ARG B 97 13.841 9.816 -11.859 1.00 1.72 H new ATOM 0 HD3 ARG B 97 14.716 9.477 -13.339 1.00 1.72 H new ATOM 0 HE ARG B 97 12.052 8.843 -14.010 1.00 2.17 H new ATOM 0 HH11 ARG B 97 13.942 11.349 -14.687 1.00 3.17 H new ATOM 0 HH12 ARG B 97 12.770 12.645 -14.425 1.00 3.17 H new ATOM 0 HH21 ARG B 97 10.486 10.585 -12.764 1.00 2.89 H new ATOM 0 HH22 ARG B 97 10.832 12.216 -13.346 1.00 2.89 H new ATOM 1241 N LEU B 98 17.112 7.305 -9.449 1.00 1.62 N ATOM 1242 CA LEU B 98 18.225 7.974 -8.721 1.00 1.76 C ATOM 1243 C LEU B 98 19.557 7.509 -9.308 1.00 1.92 C ATOM 1244 O LEU B 98 20.436 8.301 -9.587 1.00 2.09 O ATOM 1245 CB LEU B 98 18.158 7.606 -7.236 1.00 1.69 C ATOM 1246 CG LEU B 98 17.153 8.517 -6.528 1.00 1.72 C ATOM 1247 CD1 LEU B 98 16.471 7.743 -5.396 1.00 1.72 C ATOM 1248 CD2 LEU B 98 17.884 9.728 -5.945 1.00 2.01 C ATOM 0 H LEU B 98 16.472 6.767 -8.865 1.00 1.62 H new ATOM 0 HA LEU B 98 18.138 9.055 -8.826 1.00 1.76 H new ATOM 0 HB2 LEU B 98 17.862 6.563 -7.122 1.00 1.69 H new ATOM 0 HB3 LEU B 98 19.143 7.710 -6.780 1.00 1.69 H new ATOM 0 HG LEU B 98 16.403 8.854 -7.244 1.00 1.72 H new ATOM 0 HD11 LEU B 98 15.755 8.392 -4.891 1.00 1.72 H new ATOM 0 HD12 LEU B 98 15.950 6.879 -5.808 1.00 1.72 H new ATOM 0 HD13 LEU B 98 17.222 7.407 -4.681 1.00 1.72 H new ATOM 0 HD21 LEU B 98 17.168 10.377 -5.441 1.00 2.01 H new ATOM 0 HD22 LEU B 98 18.634 9.391 -5.230 1.00 2.01 H new ATOM 0 HD23 LEU B 98 18.371 10.280 -6.748 1.00 2.01 H new ATOM 1260 N ILE B 99 19.714 6.230 -9.500 1.00 1.89 N ATOM 1261 CA ILE B 99 20.986 5.709 -10.071 1.00 2.07 C ATOM 1262 C ILE B 99 21.058 6.051 -11.561 1.00 2.17 C ATOM 1263 O ILE B 99 22.116 6.318 -12.095 1.00 2.50 O ATOM 1264 CB ILE B 99 21.027 4.193 -9.900 1.00 2.14 C ATOM 1265 CG1 ILE B 99 19.798 3.582 -10.577 1.00 2.13 C ATOM 1266 CG2 ILE B 99 21.013 3.849 -8.410 1.00 2.25 C ATOM 1267 CD1 ILE B 99 19.906 2.056 -10.548 1.00 2.38 C ATOM 0 H ILE B 99 19.013 5.520 -9.285 1.00 1.89 H new ATOM 0 HA ILE B 99 21.831 6.163 -9.554 1.00 2.07 H new ATOM 0 HB ILE B 99 21.934 3.794 -10.354 1.00 2.14 H new ATOM 0 HG12 ILE B 99 18.891 3.903 -10.065 1.00 2.13 H new ATOM 0 HG13 ILE B 99 19.725 3.933 -11.606 1.00 2.13 H new ATOM 0 HG21 ILE B 99 21.042 2.766 -8.286 1.00 2.25 H new ATOM 0 HG22 ILE B 99 21.883 4.293 -7.926 1.00 2.25 H new ATOM 0 HG23 ILE B 99 20.104 4.242 -7.954 1.00 2.25 H new ATOM 0 HD11 ILE B 99 19.031 1.620 -11.030 1.00 2.38 H new ATOM 0 HD12 ILE B 99 20.806 1.745 -11.079 1.00 2.38 H new ATOM 0 HD13 ILE B 99 19.959 1.715 -9.514 1.00 2.38 H new ATOM 1279 N LYS B 100 19.942 6.038 -12.239 1.00 2.25 N ATOM 1280 CA LYS B 100 19.955 6.355 -13.698 1.00 2.60 C ATOM 1281 C LYS B 100 19.948 7.875 -13.901 1.00 2.97 C ATOM 1282 O LYS B 100 19.785 8.360 -15.003 1.00 3.27 O ATOM 1283 CB LYS B 100 18.734 5.708 -14.385 1.00 2.80 C ATOM 1284 CG LYS B 100 17.533 6.669 -14.410 1.00 3.38 C ATOM 1285 CD LYS B 100 17.396 7.276 -15.809 1.00 3.94 C ATOM 1286 CE LYS B 100 16.133 6.734 -16.482 1.00 4.56 C ATOM 1287 NZ LYS B 100 16.198 5.247 -16.538 1.00 5.22 N ATOM 0 H LYS B 100 19.025 5.823 -11.848 1.00 2.25 H new ATOM 0 HA LYS B 100 20.861 5.950 -14.148 1.00 2.60 H new ATOM 0 HB2 LYS B 100 18.996 5.423 -15.404 1.00 2.80 H new ATOM 0 HB3 LYS B 100 18.460 4.794 -13.859 1.00 2.80 H new ATOM 0 HG2 LYS B 100 16.621 6.136 -14.142 1.00 3.38 H new ATOM 0 HG3 LYS B 100 17.669 7.458 -13.671 1.00 3.38 H new ATOM 0 HD2 LYS B 100 17.347 8.363 -15.742 1.00 3.94 H new ATOM 0 HD3 LYS B 100 18.273 7.033 -16.409 1.00 3.94 H new ATOM 0 HE2 LYS B 100 15.249 7.049 -15.928 1.00 4.56 H new ATOM 0 HE3 LYS B 100 16.041 7.143 -17.488 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 15.664 4.907 -17.363 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 17.190 4.946 -16.620 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 15.786 4.849 -15.670 1.00 5.22 H new ATOM 1301 N LYS B 101 20.129 8.623 -12.844 1.00 3.27 N ATOM 1302 CA LYS B 101 20.139 10.113 -12.959 1.00 3.83 C ATOM 1303 C LYS B 101 19.079 10.563 -13.968 1.00 4.00 C ATOM 1304 O LYS B 101 18.029 9.943 -14.009 1.00 4.36 O ATOM 1305 CB LYS B 101 21.522 10.589 -13.420 1.00 4.43 C ATOM 1306 CG LYS B 101 21.933 9.841 -14.690 1.00 5.03 C ATOM 1307 CD LYS B 101 23.299 10.347 -15.161 1.00 5.77 C ATOM 1308 CE LYS B 101 24.375 9.328 -14.781 1.00 6.68 C ATOM 1309 NZ LYS B 101 25.252 9.900 -13.719 1.00 7.38 N ATOM 1310 OXT LYS B 101 19.335 11.519 -14.681 1.00 4.28 O ATOM 0 H LYS B 101 20.271 8.264 -11.900 1.00 3.27 H new ATOM 0 HA LYS B 101 19.915 10.547 -11.984 1.00 3.83 H new ATOM 0 HB2 LYS B 101 21.502 11.662 -13.610 1.00 4.43 H new ATOM 0 HB3 LYS B 101 22.256 10.418 -12.633 1.00 4.43 H new ATOM 0 HG2 LYS B 101 21.978 8.769 -14.495 1.00 5.03 H new ATOM 0 HG3 LYS B 101 21.188 9.992 -15.471 1.00 5.03 H new ATOM 0 HD2 LYS B 101 23.291 10.499 -16.240 1.00 5.77 H new ATOM 0 HD3 LYS B 101 23.519 11.312 -14.705 1.00 5.77 H new ATOM 0 HE2 LYS B 101 23.910 8.408 -14.427 1.00 6.68 H new ATOM 0 HE3 LYS B 101 24.969 9.068 -15.657 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 25.983 9.206 -13.462 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 25.706 10.766 -14.073 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 24.680 10.127 -12.881 1.00 7.38 H new TER 1324 LYS B 101