USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 908 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 CYS SG : rot -63:sc= 0.0107 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -0.804 X(o=-0.79,f=-0.5) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.0655 K(o=0.34,f=-0.39) USER MOD Set 2.2: A 34 ASN : amide:sc= 0.27 K(o=0.34,f=-0.42) USER MOD Set 3.1: A 15 MET CE :methyl -159:sc= -0.0257 (180deg=-0.156) USER MOD Set 3.2: A 20 THR OG1 : rot -140:sc= -0.417 USER MOD Single : A 1 ARG N :NH3+ -171:sc= 1.02 (180deg=0.96) USER MOD Single : A 5 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.2) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0.897 (180deg=0.637) USER MOD Single : A 37 THR OG1 : rot 55:sc= 0.898 USER MOD Single : A 38 MET CE :methyl -172:sc= -0.171 (180deg=-0.327) USER MOD Single : A 40 GLN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 1.22 (180deg=1.19) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 73:sc= 0.988 USER MOD Single : A 56 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 1.89 (180deg=1.66) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 161:sc= 0.0546 USER MOD Single : A 67 ASN : amide:sc= 0.677 K(o=0.68,f=0) USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -39:sc= 0.225 USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= 2.55 (180deg=2.27) USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.25) USER MOD Single : A 104 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0.945) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.436 0.243 -6.719 1.00 0.00 N ATOM 2 CA ARG A 1 -6.126 0.631 -6.119 1.00 0.00 C ATOM 3 C ARG A 1 -5.642 -0.350 -5.050 1.00 0.00 C ATOM 4 O ARG A 1 -4.516 -0.845 -5.141 1.00 0.00 O ATOM 5 CB ARG A 1 -6.116 2.108 -5.650 1.00 0.00 C ATOM 6 CG ARG A 1 -4.709 2.698 -5.421 1.00 0.00 C ATOM 7 CD ARG A 1 -4.100 2.390 -4.043 1.00 0.00 C ATOM 8 NE ARG A 1 -2.782 3.033 -3.872 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.606 2.557 -4.236 1.00 0.00 C ATOM 10 NH1 ARG A 1 -1.471 1.453 -4.909 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.515 3.190 -3.924 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.638 0.854 -7.536 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.395 -0.749 -7.030 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.189 0.353 -6.010 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.387 0.562 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.634 2.715 -6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.684 2.185 -4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.040 2.317 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.758 3.779 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.777 2.734 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.997 1.311 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.780 3.948 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.295 0.916 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.541 1.124 -5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -0.564 4.060 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.390 2.816 -4.209 1.00 0.00 H new ATOM 27 N ALA A 2 -6.430 -0.593 -4.000 1.00 0.00 N ATOM 28 CA ALA A 2 -5.965 -1.343 -2.825 1.00 0.00 C ATOM 29 C ALA A 2 -5.740 -2.846 -3.069 1.00 0.00 C ATOM 30 O ALA A 2 -4.827 -3.422 -2.484 1.00 0.00 O ATOM 31 CB ALA A 2 -6.956 -1.113 -1.680 1.00 0.00 C ATOM 0 H ALA A 2 -7.399 -0.280 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.976 -0.961 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.627 -1.663 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.003 -0.049 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.944 -1.463 -1.978 1.00 0.00 H new ATOM 37 N ASP A 3 -6.507 -3.481 -3.956 1.00 0.00 N ATOM 38 CA ASP A 3 -6.275 -4.888 -4.337 1.00 0.00 C ATOM 39 C ASP A 3 -5.023 -5.068 -5.220 1.00 0.00 C ATOM 40 O ASP A 3 -4.354 -6.102 -5.152 1.00 0.00 O ATOM 41 CB ASP A 3 -7.505 -5.436 -5.076 1.00 0.00 C ATOM 42 CG ASP A 3 -8.740 -5.510 -4.163 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.835 -6.459 -3.350 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.626 -4.626 -4.263 1.00 0.00 O ATOM 0 H ASP A 3 -7.299 -3.047 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.105 -5.444 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.726 -4.800 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.282 -6.429 -5.465 1.00 0.00 H new ATOM 49 N GLU A 4 -4.661 -4.024 -5.976 1.00 0.00 N ATOM 50 CA GLU A 4 -3.376 -4.031 -6.686 1.00 0.00 C ATOM 51 C GLU A 4 -2.250 -3.869 -5.660 1.00 0.00 C ATOM 52 O GLU A 4 -1.310 -4.656 -5.642 1.00 0.00 O ATOM 53 CB GLU A 4 -3.309 -2.909 -7.733 1.00 0.00 C ATOM 54 CG GLU A 4 -4.450 -2.924 -8.762 1.00 0.00 C ATOM 55 CD GLU A 4 -5.572 -1.938 -8.383 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.387 -2.227 -7.474 1.00 0.00 O ATOM 57 OE2 GLU A 4 -5.627 -0.826 -8.955 1.00 0.00 O ATOM 0 H GLU A 4 -5.223 -3.184 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.267 -4.977 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.315 -1.949 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.359 -2.981 -8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.057 -2.667 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.860 -3.931 -8.836 1.00 0.00 H new ATOM 64 N GLN A 5 -2.388 -2.912 -4.734 1.00 0.00 N ATOM 65 CA GLN A 5 -1.397 -2.701 -3.676 1.00 0.00 C ATOM 66 C GLN A 5 -1.167 -3.968 -2.833 1.00 0.00 C ATOM 67 O GLN A 5 -0.021 -4.380 -2.636 1.00 0.00 O ATOM 68 CB GLN A 5 -1.830 -1.503 -2.809 1.00 0.00 C ATOM 69 CG GLN A 5 -0.784 -1.053 -1.778 1.00 0.00 C ATOM 70 CD GLN A 5 0.547 -0.662 -2.415 1.00 0.00 C ATOM 71 OE1 GLN A 5 0.798 0.483 -2.767 1.00 0.00 O ATOM 72 NE2 GLN A 5 1.437 -1.611 -2.611 1.00 0.00 N ATOM 0 H GLN A 5 -3.180 -2.270 -4.698 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.436 -2.475 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.062 -0.662 -3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.750 -1.763 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.176 -0.205 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.616 -1.858 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.235 -2.568 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.329 -1.390 -3.054 1.00 0.00 H new ATOM 81 N ALA A 6 -2.244 -4.619 -2.389 1.00 0.00 N ATOM 82 CA ALA A 6 -2.193 -5.868 -1.638 1.00 0.00 C ATOM 83 C ALA A 6 -1.525 -6.995 -2.441 1.00 0.00 C ATOM 84 O ALA A 6 -0.573 -7.611 -1.949 1.00 0.00 O ATOM 85 CB ALA A 6 -3.617 -6.244 -1.209 1.00 0.00 C ATOM 0 H ALA A 6 -3.194 -4.283 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.575 -5.725 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.593 -7.177 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.029 -5.453 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.242 -6.370 -2.093 1.00 0.00 H new ATOM 91 N PHE A 7 -1.939 -7.230 -3.696 1.00 0.00 N ATOM 92 CA PHE A 7 -1.294 -8.267 -4.507 1.00 0.00 C ATOM 93 C PHE A 7 0.097 -7.857 -5.022 1.00 0.00 C ATOM 94 O PHE A 7 0.876 -8.726 -5.404 1.00 0.00 O ATOM 95 CB PHE A 7 -2.213 -8.753 -5.637 1.00 0.00 C ATOM 96 CG PHE A 7 -2.067 -10.244 -5.904 1.00 0.00 C ATOM 97 CD1 PHE A 7 -0.974 -10.742 -6.638 1.00 0.00 C ATOM 98 CD2 PHE A 7 -3.030 -11.146 -5.410 1.00 0.00 C ATOM 99 CE1 PHE A 7 -0.824 -12.123 -6.858 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.904 -12.525 -5.663 1.00 0.00 C ATOM 101 CZ PHE A 7 -1.791 -13.017 -6.368 1.00 0.00 C ATOM 0 H PHE A 7 -2.697 -6.729 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.121 -9.113 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.249 -8.533 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.987 -8.200 -6.549 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.242 -10.055 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.867 -10.778 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.032 -12.495 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.665 -13.208 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.680 -14.079 -6.532 1.00 0.00 H new ATOM 111 N LEU A 8 0.479 -6.575 -4.935 1.00 0.00 N ATOM 112 CA LEU A 8 1.858 -6.214 -5.289 1.00 0.00 C ATOM 113 C LEU A 8 2.785 -6.328 -4.072 1.00 0.00 C ATOM 114 O LEU A 8 3.971 -6.578 -4.262 1.00 0.00 O ATOM 115 CB LEU A 8 1.880 -4.802 -5.886 1.00 0.00 C ATOM 116 CG LEU A 8 1.463 -4.821 -7.369 1.00 0.00 C ATOM 117 CD1 LEU A 8 1.014 -3.425 -7.784 1.00 0.00 C ATOM 118 CD2 LEU A 8 2.649 -5.222 -8.248 1.00 0.00 C ATOM 0 H LEU A 8 -0.116 -5.802 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 8 2.230 -6.912 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.206 -4.155 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.880 -4.379 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 8 0.653 -5.539 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.718 -3.435 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.167 -3.118 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.836 -2.722 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.340 -5.231 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.459 -4.505 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.994 -6.216 -7.963 1.00 0.00 H new ATOM 130 N VAL A 9 2.266 -6.219 -2.838 1.00 0.00 N ATOM 131 CA VAL A 9 3.039 -6.585 -1.632 1.00 0.00 C ATOM 132 C VAL A 9 3.223 -8.106 -1.563 1.00 0.00 C ATOM 133 O VAL A 9 4.327 -8.591 -1.317 1.00 0.00 O ATOM 134 CB VAL A 9 2.376 -6.042 -0.348 1.00 0.00 C ATOM 135 CG1 VAL A 9 3.019 -6.586 0.940 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.501 -4.515 -0.297 1.00 0.00 C ATOM 0 H VAL A 9 1.322 -5.883 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 9 4.023 -6.121 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 9 1.337 -6.367 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.508 -6.167 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.933 -7.672 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.072 -6.305 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.030 -4.142 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.555 -4.236 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.007 -4.080 -1.166 1.00 0.00 H new ATOM 146 N ALA A 10 2.166 -8.867 -1.852 1.00 0.00 N ATOM 147 CA ALA A 10 2.251 -10.330 -1.928 1.00 0.00 C ATOM 148 C ALA A 10 3.197 -10.805 -3.050 1.00 0.00 C ATOM 149 O ALA A 10 4.069 -11.652 -2.818 1.00 0.00 O ATOM 150 CB ALA A 10 0.839 -10.897 -2.106 1.00 0.00 C ATOM 0 H ALA A 10 1.235 -8.494 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 10 2.681 -10.704 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.888 -11.984 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.221 -10.606 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.402 -10.504 -3.024 1.00 0.00 H new ATOM 156 N LEU A 11 3.073 -10.228 -4.254 1.00 0.00 N ATOM 157 CA LEU A 11 3.976 -10.543 -5.358 1.00 0.00 C ATOM 158 C LEU A 11 5.402 -10.038 -5.108 1.00 0.00 C ATOM 159 O LEU A 11 6.326 -10.761 -5.449 1.00 0.00 O ATOM 160 CB LEU A 11 3.399 -10.082 -6.708 1.00 0.00 C ATOM 161 CG LEU A 11 4.178 -10.629 -7.924 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.149 -12.154 -8.034 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.588 -10.072 -9.215 1.00 0.00 C ATOM 0 H LEU A 11 2.354 -9.541 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 11 4.057 -11.629 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.359 -10.400 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.402 -8.993 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 11 5.211 -10.314 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.716 -12.466 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.593 -12.592 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.117 -12.492 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.144 -10.463 -10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.543 -10.370 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.655 -8.984 -9.206 1.00 0.00 H new ATOM 175 N TYR A 12 5.613 -8.890 -4.448 1.00 0.00 N ATOM 176 CA TYR A 12 6.938 -8.469 -3.971 1.00 0.00 C ATOM 177 C TYR A 12 7.565 -9.541 -3.080 1.00 0.00 C ATOM 178 O TYR A 12 8.707 -9.930 -3.327 1.00 0.00 O ATOM 179 CB TYR A 12 6.856 -7.124 -3.221 1.00 0.00 C ATOM 180 CG TYR A 12 7.977 -6.784 -2.242 1.00 0.00 C ATOM 181 CD1 TYR A 12 9.331 -7.062 -2.533 1.00 0.00 C ATOM 182 CD2 TYR A 12 7.644 -6.192 -1.006 1.00 0.00 C ATOM 183 CE1 TYR A 12 10.335 -6.768 -1.592 1.00 0.00 C ATOM 184 CE2 TYR A 12 8.647 -5.886 -0.065 1.00 0.00 C ATOM 185 CZ TYR A 12 9.997 -6.180 -0.354 1.00 0.00 C ATOM 186 OH TYR A 12 10.977 -5.908 0.554 1.00 0.00 O ATOM 0 H TYR A 12 4.869 -8.227 -4.230 1.00 0.00 H new ATOM 0 HA TYR A 12 7.576 -8.333 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.808 -6.329 -3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.915 -7.104 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.597 -7.502 -3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.611 -5.971 -0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.367 -6.993 -1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.383 -5.427 0.876 1.00 0.00 H new ATOM 0 HH TYR A 12 10.579 -5.504 1.353 1.00 0.00 H new ATOM 196 N LYS A 13 6.828 -10.069 -2.095 1.00 0.00 N ATOM 197 CA LYS A 13 7.345 -11.148 -1.246 1.00 0.00 C ATOM 198 C LYS A 13 7.711 -12.384 -2.066 1.00 0.00 C ATOM 199 O LYS A 13 8.845 -12.849 -1.941 1.00 0.00 O ATOM 200 CB LYS A 13 6.368 -11.465 -0.101 1.00 0.00 C ATOM 201 CG LYS A 13 6.332 -10.336 0.942 1.00 0.00 C ATOM 202 CD LYS A 13 5.284 -10.624 2.026 1.00 0.00 C ATOM 203 CE LYS A 13 5.262 -9.489 3.058 1.00 0.00 C ATOM 204 NZ LYS A 13 4.287 -9.755 4.146 1.00 0.00 N ATOM 0 H LYS A 13 5.880 -9.769 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 13 8.271 -10.802 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.368 -11.618 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.662 -12.397 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.315 -10.228 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.103 -9.390 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.299 -10.730 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.511 -11.569 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.258 -9.365 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.008 -8.552 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.300 -8.967 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.333 -9.849 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.544 -10.636 4.635 1.00 0.00 H new ATOM 218 N TYR A 14 6.852 -12.871 -2.973 1.00 0.00 N ATOM 219 CA TYR A 14 7.207 -14.025 -3.815 1.00 0.00 C ATOM 220 C TYR A 14 8.423 -13.729 -4.687 1.00 0.00 C ATOM 221 O TYR A 14 9.332 -14.543 -4.805 1.00 0.00 O ATOM 222 CB TYR A 14 5.970 -14.365 -4.673 1.00 0.00 C ATOM 223 CG TYR A 14 6.201 -15.236 -5.900 1.00 0.00 C ATOM 224 CD1 TYR A 14 6.641 -14.645 -7.103 1.00 0.00 C ATOM 225 CD2 TYR A 14 5.934 -16.619 -5.862 1.00 0.00 C ATOM 226 CE1 TYR A 14 6.849 -15.431 -8.249 1.00 0.00 C ATOM 227 CE2 TYR A 14 6.126 -17.410 -7.016 1.00 0.00 C ATOM 228 CZ TYR A 14 6.599 -16.817 -8.210 1.00 0.00 C ATOM 229 OH TYR A 14 6.819 -17.568 -9.324 1.00 0.00 O ATOM 0 H TYR A 14 5.920 -12.492 -3.142 1.00 0.00 H new ATOM 0 HA TYR A 14 7.483 -14.875 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.241 -14.865 -4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.517 -13.429 -5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.819 -13.581 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.582 -17.075 -4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.201 -14.972 -9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.912 -18.468 -6.987 1.00 0.00 H new ATOM 0 HH TYR A 14 6.601 -18.505 -9.136 1.00 0.00 H new ATOM 239 N MET A 15 8.460 -12.539 -5.266 1.00 0.00 N ATOM 240 CA MET A 15 9.492 -12.113 -6.188 1.00 0.00 C ATOM 241 C MET A 15 10.867 -12.014 -5.492 1.00 0.00 C ATOM 242 O MET A 15 11.855 -12.573 -5.988 1.00 0.00 O ATOM 243 CB MET A 15 8.988 -10.804 -6.788 1.00 0.00 C ATOM 244 CG MET A 15 10.006 -10.224 -7.726 1.00 0.00 C ATOM 245 SD MET A 15 10.396 -11.253 -9.168 1.00 0.00 S ATOM 246 CE MET A 15 11.719 -10.257 -9.889 1.00 0.00 C ATOM 0 H MET A 15 7.751 -11.825 -5.100 1.00 0.00 H new ATOM 0 HA MET A 15 9.668 -12.835 -6.986 1.00 0.00 H new ATOM 0 HB2 MET A 15 8.053 -10.978 -7.321 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.773 -10.092 -5.991 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.646 -9.257 -8.076 1.00 0.00 H new ATOM 0 HG3 MET A 15 10.926 -10.040 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 15 11.831 -10.509 -10.943 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.472 -9.200 -9.793 1.00 0.00 H new ATOM 0 HE3 MET A 15 12.654 -10.460 -9.366 1.00 0.00 H new ATOM 256 N LYS A 16 10.915 -11.391 -4.301 1.00 0.00 N ATOM 257 CA LYS A 16 12.111 -11.407 -3.436 1.00 0.00 C ATOM 258 C LYS A 16 12.548 -12.834 -3.098 1.00 0.00 C ATOM 259 O LYS A 16 13.737 -13.144 -3.095 1.00 0.00 O ATOM 260 CB LYS A 16 11.804 -10.557 -2.186 1.00 0.00 C ATOM 261 CG LYS A 16 12.947 -10.498 -1.156 1.00 0.00 C ATOM 262 CD LYS A 16 12.770 -11.544 -0.044 1.00 0.00 C ATOM 263 CE LYS A 16 14.028 -11.662 0.820 1.00 0.00 C ATOM 264 NZ LYS A 16 13.856 -12.703 1.866 1.00 0.00 N ATOM 0 H LYS A 16 10.132 -10.865 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 16 12.962 -10.971 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.565 -9.542 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.914 -10.957 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.899 -10.662 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.987 -9.502 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.921 -11.270 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.540 -12.513 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.884 -11.910 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.244 -10.702 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.783 -13.104 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.426 -12.277 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.238 -13.458 1.506 1.00 0.00 H new ATOM 278 N GLU A 17 11.566 -13.700 -2.878 1.00 0.00 N ATOM 279 CA GLU A 17 11.809 -15.127 -2.600 1.00 0.00 C ATOM 280 C GLU A 17 12.112 -15.975 -3.860 1.00 0.00 C ATOM 281 O GLU A 17 12.235 -17.198 -3.743 1.00 0.00 O ATOM 282 CB GLU A 17 10.626 -15.713 -1.803 1.00 0.00 C ATOM 283 CG GLU A 17 10.542 -15.189 -0.360 1.00 0.00 C ATOM 284 CD GLU A 17 11.691 -15.718 0.521 1.00 0.00 C ATOM 285 OE1 GLU A 17 11.620 -16.880 0.992 1.00 0.00 O ATOM 286 OE2 GLU A 17 12.665 -14.966 0.764 1.00 0.00 O ATOM 0 H GLU A 17 10.579 -13.443 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 17 12.718 -15.177 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.696 -15.478 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.714 -16.799 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.566 -14.099 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.587 -15.483 0.076 1.00 0.00 H new ATOM 293 N ARG A 18 12.240 -15.374 -5.060 1.00 0.00 N ATOM 294 CA ARG A 18 12.536 -16.127 -6.303 1.00 0.00 C ATOM 295 C ARG A 18 13.715 -15.615 -7.115 1.00 0.00 C ATOM 296 O ARG A 18 14.581 -16.424 -7.466 1.00 0.00 O ATOM 297 CB ARG A 18 11.294 -16.275 -7.215 1.00 0.00 C ATOM 298 CG ARG A 18 10.456 -17.531 -6.930 1.00 0.00 C ATOM 299 CD ARG A 18 9.502 -17.328 -5.757 1.00 0.00 C ATOM 300 NE ARG A 18 8.830 -18.580 -5.364 1.00 0.00 N ATOM 301 CZ ARG A 18 9.260 -19.482 -4.498 1.00 0.00 C ATOM 302 NH1 ARG A 18 10.390 -19.368 -3.860 1.00 0.00 N ATOM 303 NH2 ARG A 18 8.545 -20.543 -4.249 1.00 0.00 N ATOM 0 H ARG A 18 12.143 -14.368 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 18 12.832 -17.107 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.662 -15.395 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.620 -16.296 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.885 -17.795 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.120 -18.369 -6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.055 -16.931 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.752 -16.584 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 18 7.933 -18.772 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.986 -18.556 -4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.679 -20.091 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.652 -20.679 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.879 -21.238 -3.581 1.00 0.00 H new ATOM 317 N LYS A 19 13.771 -14.316 -7.412 1.00 0.00 N ATOM 318 CA LYS A 19 14.824 -13.750 -8.275 1.00 0.00 C ATOM 319 C LYS A 19 15.394 -12.429 -7.782 1.00 0.00 C ATOM 320 O LYS A 19 16.572 -12.167 -8.034 1.00 0.00 O ATOM 321 CB LYS A 19 14.306 -13.559 -9.716 1.00 0.00 C ATOM 322 CG LYS A 19 13.905 -14.869 -10.417 1.00 0.00 C ATOM 323 CD LYS A 19 13.837 -14.739 -11.947 1.00 0.00 C ATOM 324 CE LYS A 19 12.835 -13.680 -12.427 1.00 0.00 C ATOM 325 NZ LYS A 19 12.823 -13.581 -13.914 1.00 0.00 N ATOM 0 H LYS A 19 13.100 -13.629 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 19 15.633 -14.480 -8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.444 -12.892 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.078 -13.065 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.622 -15.648 -10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.934 -15.192 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.828 -14.489 -12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.566 -15.704 -12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.837 -13.932 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.092 -12.712 -11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.136 -12.857 -14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.770 -13.317 -14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.554 -14.499 -14.321 1.00 0.00 H new ATOM 339 N THR A 20 14.595 -11.587 -7.118 1.00 0.00 N ATOM 340 CA THR A 20 15.027 -10.194 -6.827 1.00 0.00 C ATOM 341 C THR A 20 14.064 -9.426 -5.907 1.00 0.00 C ATOM 342 O THR A 20 12.857 -9.542 -6.099 1.00 0.00 O ATOM 343 CB THR A 20 15.082 -9.315 -8.109 1.00 0.00 C ATOM 344 OG1 THR A 20 15.331 -9.993 -9.324 1.00 0.00 O ATOM 345 CG2 THR A 20 16.175 -8.265 -7.985 1.00 0.00 C ATOM 0 H THR A 20 13.665 -11.827 -6.774 1.00 0.00 H new ATOM 0 HA THR A 20 16.002 -10.336 -6.361 1.00 0.00 H new ATOM 0 HB THR A 20 14.076 -8.900 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.937 -9.459 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.201 -7.658 -8.890 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.970 -7.627 -7.126 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.138 -8.757 -7.850 1.00 0.00 H new ATOM 353 N PRO A 21 14.527 -8.597 -4.949 1.00 0.00 N ATOM 354 CA PRO A 21 13.666 -7.617 -4.270 1.00 0.00 C ATOM 355 C PRO A 21 12.981 -6.665 -5.277 1.00 0.00 C ATOM 356 O PRO A 21 13.495 -6.455 -6.380 1.00 0.00 O ATOM 357 CB PRO A 21 14.595 -6.852 -3.323 1.00 0.00 C ATOM 358 CG PRO A 21 15.737 -7.832 -3.063 1.00 0.00 C ATOM 359 CD PRO A 21 15.871 -8.567 -4.395 1.00 0.00 C ATOM 0 HA PRO A 21 12.853 -8.105 -3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.956 -5.928 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.086 -6.577 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.658 -7.315 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.504 -8.516 -2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.561 -8.051 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.261 -9.575 -4.252 1.00 0.00 H new ATOM 367 N ILE A 22 11.836 -6.064 -4.920 1.00 0.00 N ATOM 368 CA ILE A 22 11.076 -5.201 -5.850 1.00 0.00 C ATOM 369 C ILE A 22 11.843 -3.942 -6.301 1.00 0.00 C ATOM 370 O ILE A 22 11.534 -3.388 -7.356 1.00 0.00 O ATOM 371 CB ILE A 22 9.652 -4.926 -5.325 1.00 0.00 C ATOM 372 CG1 ILE A 22 8.732 -4.406 -6.450 1.00 0.00 C ATOM 373 CG2 ILE A 22 9.643 -3.981 -4.111 1.00 0.00 C ATOM 374 CD1 ILE A 22 7.249 -4.725 -6.219 1.00 0.00 C ATOM 0 H ILE A 22 11.413 -6.157 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 22 10.955 -5.764 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 22 9.255 -5.880 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.854 -3.327 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.047 -4.842 -7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.616 -3.821 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.219 -4.426 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.087 -3.026 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.659 -4.331 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.114 -5.805 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.919 -4.266 -5.287 1.00 0.00 H new ATOM 386 N GLU A 23 12.901 -3.545 -5.578 1.00 0.00 N ATOM 387 CA GLU A 23 13.856 -2.524 -6.064 1.00 0.00 C ATOM 388 C GLU A 23 14.459 -2.778 -7.467 1.00 0.00 C ATOM 389 O GLU A 23 15.089 -1.883 -8.035 1.00 0.00 O ATOM 390 CB GLU A 23 14.995 -2.335 -5.041 1.00 0.00 C ATOM 391 CG GLU A 23 14.542 -1.907 -3.636 1.00 0.00 C ATOM 392 CD GLU A 23 14.331 -3.109 -2.696 1.00 0.00 C ATOM 393 OE1 GLU A 23 13.268 -3.768 -2.787 1.00 0.00 O ATOM 394 OE2 GLU A 23 15.225 -3.398 -1.864 1.00 0.00 O ATOM 0 H GLU A 23 13.121 -3.913 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 23 13.258 -1.619 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.548 -3.271 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.689 -1.588 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.287 -1.238 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.613 -1.342 -3.713 1.00 0.00 H new ATOM 401 N ARG A 24 14.248 -3.970 -8.050 1.00 0.00 N ATOM 402 CA ARG A 24 14.482 -4.300 -9.471 1.00 0.00 C ATOM 403 C ARG A 24 13.866 -3.257 -10.427 1.00 0.00 C ATOM 404 O ARG A 24 14.366 -3.076 -11.536 1.00 0.00 O ATOM 405 CB ARG A 24 13.873 -5.695 -9.708 1.00 0.00 C ATOM 406 CG ARG A 24 14.170 -6.319 -11.080 1.00 0.00 C ATOM 407 CD ARG A 24 13.390 -7.631 -11.221 1.00 0.00 C ATOM 408 NE ARG A 24 13.611 -8.274 -12.533 1.00 0.00 N ATOM 409 CZ ARG A 24 12.703 -8.623 -13.429 1.00 0.00 C ATOM 410 NH1 ARG A 24 11.437 -8.353 -13.301 1.00 0.00 N ATOM 411 NH2 ARG A 24 13.044 -9.282 -14.494 1.00 0.00 N ATOM 0 H ARG A 24 13.894 -4.768 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 24 15.551 -4.293 -9.682 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.240 -6.369 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.792 -5.627 -9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.888 -5.628 -11.875 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.239 -6.505 -11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.689 -8.316 -10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.326 -7.435 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 24 14.581 -8.473 -12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.104 -7.849 -12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.778 -8.645 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.020 -9.536 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.336 -9.546 -15.179 1.00 0.00 H new ATOM 425 N ILE A 25 12.793 -2.586 -9.994 1.00 0.00 N ATOM 426 CA ILE A 25 12.079 -1.492 -10.676 1.00 0.00 C ATOM 427 C ILE A 25 13.022 -0.443 -11.329 1.00 0.00 C ATOM 428 O ILE A 25 13.977 0.005 -10.687 1.00 0.00 O ATOM 429 CB ILE A 25 11.068 -0.875 -9.666 1.00 0.00 C ATOM 430 CG1 ILE A 25 9.740 -1.667 -9.753 1.00 0.00 C ATOM 431 CG2 ILE A 25 10.835 0.639 -9.837 1.00 0.00 C ATOM 432 CD1 ILE A 25 8.700 -1.303 -8.687 1.00 0.00 C ATOM 0 H ILE A 25 12.367 -2.806 -9.094 1.00 0.00 H new ATOM 0 HA ILE A 25 11.534 -1.898 -11.529 1.00 0.00 H new ATOM 0 HB ILE A 25 11.506 -0.966 -8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.301 -1.505 -10.738 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.963 -2.731 -9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.117 0.983 -9.092 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.778 1.169 -9.704 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.445 0.837 -10.835 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.805 -1.909 -8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.113 -1.493 -7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.441 -0.248 -8.776 1.00 0.00 H new ATOM 444 N PRO A 26 12.745 0.004 -12.575 1.00 0.00 N ATOM 445 CA PRO A 26 13.593 0.936 -13.333 1.00 0.00 C ATOM 446 C PRO A 26 13.388 2.428 -12.998 1.00 0.00 C ATOM 447 O PRO A 26 14.074 3.271 -13.580 1.00 0.00 O ATOM 448 CB PRO A 26 13.233 0.667 -14.803 1.00 0.00 C ATOM 449 CG PRO A 26 11.750 0.312 -14.732 1.00 0.00 C ATOM 450 CD PRO A 26 11.689 -0.506 -13.442 1.00 0.00 C ATOM 0 HA PRO A 26 14.640 0.760 -13.085 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.409 1.542 -15.429 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.824 -0.148 -15.221 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.118 1.199 -14.684 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.425 -0.265 -15.598 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.714 -0.406 -12.965 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.835 -1.566 -13.648 1.00 0.00 H new ATOM 458 N TYR A 27 12.432 2.766 -12.114 1.00 0.00 N ATOM 459 CA TYR A 27 12.006 4.169 -11.886 1.00 0.00 C ATOM 460 C TYR A 27 11.721 4.931 -13.194 1.00 0.00 C ATOM 461 O TYR A 27 12.160 6.059 -13.405 1.00 0.00 O ATOM 462 CB TYR A 27 12.982 4.864 -10.932 1.00 0.00 C ATOM 463 CG TYR A 27 12.420 6.068 -10.194 1.00 0.00 C ATOM 464 CD1 TYR A 27 11.702 5.880 -8.994 1.00 0.00 C ATOM 465 CD2 TYR A 27 12.630 7.374 -10.684 1.00 0.00 C ATOM 466 CE1 TYR A 27 11.188 6.989 -8.295 1.00 0.00 C ATOM 467 CE2 TYR A 27 12.105 8.485 -9.994 1.00 0.00 C ATOM 468 CZ TYR A 27 11.378 8.294 -8.799 1.00 0.00 C ATOM 469 OH TYR A 27 10.857 9.359 -8.130 1.00 0.00 O ATOM 0 H TYR A 27 11.934 2.086 -11.540 1.00 0.00 H new ATOM 0 HA TYR A 27 11.037 4.165 -11.388 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.327 4.136 -10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 27 13.856 5.182 -11.500 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.546 4.882 -8.610 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.196 7.523 -11.592 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.648 6.841 -7.372 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.259 9.482 -10.379 1.00 0.00 H new ATOM 0 HH TYR A 27 11.078 10.186 -8.608 1.00 0.00 H new ATOM 479 N LEU A 28 11.001 4.239 -14.084 1.00 0.00 N ATOM 480 CA LEU A 28 10.500 4.599 -15.415 1.00 0.00 C ATOM 481 C LEU A 28 11.381 5.579 -16.228 1.00 0.00 C ATOM 482 O LEU A 28 10.868 6.460 -16.916 1.00 0.00 O ATOM 483 CB LEU A 28 9.037 5.047 -15.191 1.00 0.00 C ATOM 484 CG LEU A 28 8.008 4.930 -16.328 1.00 0.00 C ATOM 485 CD1 LEU A 28 7.687 6.259 -17.016 1.00 0.00 C ATOM 486 CD2 LEU A 28 8.367 3.906 -17.402 1.00 0.00 C ATOM 0 H LEU A 28 10.719 3.286 -13.856 1.00 0.00 H new ATOM 0 HA LEU A 28 10.545 3.740 -16.084 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.651 4.477 -14.346 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.063 6.093 -14.885 1.00 0.00 H new ATOM 0 HG LEU A 28 7.121 4.580 -15.800 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.954 6.092 -17.805 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.280 6.958 -16.285 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.597 6.674 -17.448 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.588 3.889 -18.164 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.317 4.178 -17.861 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.453 2.918 -16.949 1.00 0.00 H new ATOM 498 N GLY A 29 12.710 5.504 -16.093 1.00 0.00 N ATOM 499 CA GLY A 29 13.610 6.531 -16.644 1.00 0.00 C ATOM 500 C GLY A 29 13.616 7.846 -15.843 1.00 0.00 C ATOM 501 O GLY A 29 14.681 8.439 -15.653 1.00 0.00 O ATOM 0 H GLY A 29 13.188 4.745 -15.608 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.624 6.132 -16.678 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.317 6.744 -17.672 1.00 0.00 H new ATOM 505 N PHE A 30 12.455 8.277 -15.326 1.00 0.00 N ATOM 506 CA PHE A 30 12.284 9.489 -14.514 1.00 0.00 C ATOM 507 C PHE A 30 11.177 9.441 -13.429 1.00 0.00 C ATOM 508 O PHE A 30 11.076 10.402 -12.659 1.00 0.00 O ATOM 509 CB PHE A 30 12.011 10.674 -15.464 1.00 0.00 C ATOM 510 CG PHE A 30 10.594 10.714 -16.026 1.00 0.00 C ATOM 511 CD1 PHE A 30 10.200 9.827 -17.049 1.00 0.00 C ATOM 512 CD2 PHE A 30 9.645 11.601 -15.477 1.00 0.00 C ATOM 513 CE1 PHE A 30 8.869 9.812 -17.502 1.00 0.00 C ATOM 514 CE2 PHE A 30 8.311 11.583 -15.930 1.00 0.00 C ATOM 515 CZ PHE A 30 7.921 10.685 -16.937 1.00 0.00 C ATOM 0 H PHE A 30 11.580 7.773 -15.467 1.00 0.00 H new ATOM 0 HA PHE A 30 13.212 9.595 -13.952 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.204 11.604 -14.930 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.717 10.630 -16.293 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.924 9.156 -17.487 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.942 12.297 -14.706 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.574 9.129 -18.285 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.587 12.261 -15.502 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.896 10.665 -17.277 1.00 0.00 H new ATOM 525 N LYS A 31 10.351 8.380 -13.343 1.00 0.00 N ATOM 526 CA LYS A 31 9.120 8.404 -12.518 1.00 0.00 C ATOM 527 C LYS A 31 8.973 7.124 -11.685 1.00 0.00 C ATOM 528 O LYS A 31 9.267 6.031 -12.166 1.00 0.00 O ATOM 529 CB LYS A 31 7.946 8.578 -13.509 1.00 0.00 C ATOM 530 CG LYS A 31 6.512 8.584 -12.947 1.00 0.00 C ATOM 531 CD LYS A 31 5.517 8.092 -14.018 1.00 0.00 C ATOM 532 CE LYS A 31 4.051 8.273 -13.593 1.00 0.00 C ATOM 533 NZ LYS A 31 3.502 9.591 -14.017 1.00 0.00 N ATOM 0 H LYS A 31 10.510 7.498 -13.831 1.00 0.00 H new ATOM 0 HA LYS A 31 9.147 9.219 -11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.098 9.516 -14.043 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.011 7.777 -14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.456 7.943 -12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.244 9.591 -12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.691 8.635 -14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.704 7.038 -14.225 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.448 7.474 -14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.974 8.181 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.664 9.819 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.224 10.327 -13.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.234 9.549 -15.021 1.00 0.00 H new ATOM 547 N GLN A 32 8.462 7.238 -10.458 1.00 0.00 N ATOM 548 CA GLN A 32 8.103 6.086 -9.615 1.00 0.00 C ATOM 549 C GLN A 32 7.173 5.131 -10.385 1.00 0.00 C ATOM 550 O GLN A 32 6.144 5.564 -10.911 1.00 0.00 O ATOM 551 CB GLN A 32 7.444 6.610 -8.319 1.00 0.00 C ATOM 552 CG GLN A 32 7.580 5.699 -7.086 1.00 0.00 C ATOM 553 CD GLN A 32 7.131 4.258 -7.313 1.00 0.00 C ATOM 554 OE1 GLN A 32 7.941 3.346 -7.402 1.00 0.00 O ATOM 555 NE2 GLN A 32 5.854 3.989 -7.460 1.00 0.00 N ATOM 0 H GLN A 32 8.282 8.138 -10.014 1.00 0.00 H new ATOM 0 HA GLN A 32 8.995 5.518 -9.349 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.877 7.581 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.384 6.773 -8.512 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.622 5.696 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.996 6.124 -6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.164 4.737 -7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.552 3.032 -7.645 1.00 0.00 H new ATOM 564 N ILE A 33 7.521 3.839 -10.470 1.00 0.00 N ATOM 565 CA ILE A 33 6.665 2.832 -11.113 1.00 0.00 C ATOM 566 C ILE A 33 5.425 2.560 -10.247 1.00 0.00 C ATOM 567 O ILE A 33 5.424 1.748 -9.318 1.00 0.00 O ATOM 568 CB ILE A 33 7.500 1.569 -11.437 1.00 0.00 C ATOM 569 CG1 ILE A 33 8.452 1.826 -12.629 1.00 0.00 C ATOM 570 CG2 ILE A 33 6.661 0.313 -11.719 1.00 0.00 C ATOM 571 CD1 ILE A 33 7.809 1.854 -14.024 1.00 0.00 C ATOM 0 H ILE A 33 8.395 3.465 -10.099 1.00 0.00 H new ATOM 0 HA ILE A 33 6.286 3.202 -12.066 1.00 0.00 H new ATOM 0 HB ILE A 33 8.072 1.369 -10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.954 2.779 -12.465 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.222 1.055 -12.623 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.323 -0.525 -11.937 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.053 0.078 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.011 0.494 -12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.577 2.042 -14.775 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.333 0.894 -14.224 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.061 2.646 -14.064 1.00 0.00 H new ATOM 583 N ASN A 34 4.358 3.301 -10.531 1.00 0.00 N ATOM 584 CA ASN A 34 3.009 3.070 -10.019 1.00 0.00 C ATOM 585 C ASN A 34 2.450 1.841 -10.759 1.00 0.00 C ATOM 586 O ASN A 34 1.735 1.974 -11.753 1.00 0.00 O ATOM 587 CB ASN A 34 2.185 4.355 -10.213 1.00 0.00 C ATOM 588 CG ASN A 34 2.565 5.482 -9.259 1.00 0.00 C ATOM 589 OD1 ASN A 34 3.420 5.372 -8.389 1.00 0.00 O ATOM 590 ND2 ASN A 34 1.920 6.621 -9.385 1.00 0.00 N ATOM 0 H ASN A 34 4.410 4.111 -11.148 1.00 0.00 H new ATOM 0 HA ASN A 34 2.982 2.853 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.309 4.703 -11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.129 4.121 -10.081 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.134 7.400 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.206 6.726 -10.106 1.00 0.00 H new ATOM 597 N LEU A 35 2.871 0.640 -10.347 1.00 0.00 N ATOM 598 CA LEU A 35 2.643 -0.629 -11.054 1.00 0.00 C ATOM 599 C LEU A 35 1.143 -0.879 -11.358 1.00 0.00 C ATOM 600 O LEU A 35 0.784 -1.247 -12.473 1.00 0.00 O ATOM 601 CB LEU A 35 3.319 -1.756 -10.242 1.00 0.00 C ATOM 602 CG LEU A 35 3.874 -2.977 -11.006 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.903 -3.570 -12.023 1.00 0.00 C ATOM 604 CD2 LEU A 35 5.192 -2.693 -11.714 1.00 0.00 C ATOM 0 H LEU A 35 3.398 0.519 -9.482 1.00 0.00 H new ATOM 0 HA LEU A 35 3.100 -0.595 -12.043 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.142 -1.313 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.595 -2.121 -9.513 1.00 0.00 H new ATOM 0 HG LEU A 35 4.036 -3.709 -10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.369 -4.423 -12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.996 -3.896 -11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.649 -2.815 -12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.528 -3.591 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.051 -1.889 -12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.942 -2.395 -10.981 1.00 0.00 H new ATOM 616 N TRP A 36 0.253 -0.571 -10.407 1.00 0.00 N ATOM 617 CA TRP A 36 -1.215 -0.527 -10.571 1.00 0.00 C ATOM 618 C TRP A 36 -1.662 0.355 -11.772 1.00 0.00 C ATOM 619 O TRP A 36 -2.524 -0.029 -12.575 1.00 0.00 O ATOM 620 CB TRP A 36 -1.811 0.005 -9.253 1.00 0.00 C ATOM 621 CG TRP A 36 -1.150 1.212 -8.654 1.00 0.00 C ATOM 622 CD1 TRP A 36 -1.490 2.500 -8.879 1.00 0.00 C ATOM 623 CD2 TRP A 36 -0.016 1.263 -7.733 1.00 0.00 C ATOM 624 NE1 TRP A 36 -0.625 3.335 -8.201 1.00 0.00 N ATOM 625 CE2 TRP A 36 0.310 2.628 -7.482 1.00 0.00 C ATOM 626 CE3 TRP A 36 0.769 0.289 -7.080 1.00 0.00 C ATOM 627 CZ2 TRP A 36 1.375 3.010 -6.655 1.00 0.00 C ATOM 628 CZ3 TRP A 36 1.837 0.658 -6.238 1.00 0.00 C ATOM 629 CH2 TRP A 36 2.146 2.014 -6.032 1.00 0.00 C ATOM 0 H TRP A 36 0.544 -0.334 -9.458 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.578 -1.531 -10.792 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.861 0.242 -9.425 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.782 -0.799 -8.518 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.314 2.827 -9.496 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.673 4.353 -8.230 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.547 -0.758 -7.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.600 4.055 -6.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.422 -0.106 -5.748 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.974 2.290 -5.396 1.00 0.00 H new ATOM 640 N THR A 37 -1.057 1.542 -11.916 1.00 0.00 N ATOM 641 CA THR A 37 -1.332 2.519 -12.986 1.00 0.00 C ATOM 642 C THR A 37 -0.776 2.070 -14.337 1.00 0.00 C ATOM 643 O THR A 37 -1.503 2.122 -15.328 1.00 0.00 O ATOM 644 CB THR A 37 -0.780 3.918 -12.656 1.00 0.00 C ATOM 645 OG1 THR A 37 -1.317 4.352 -11.426 1.00 0.00 O ATOM 646 CG2 THR A 37 -1.171 4.973 -13.695 1.00 0.00 C ATOM 0 H THR A 37 -0.336 1.863 -11.269 1.00 0.00 H new ATOM 0 HA THR A 37 -2.418 2.576 -13.053 1.00 0.00 H new ATOM 0 HB THR A 37 0.306 3.822 -12.633 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.132 3.683 -10.734 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.753 5.938 -13.408 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.781 4.684 -14.671 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.257 5.048 -13.746 1.00 0.00 H new ATOM 654 N MET A 38 0.472 1.590 -14.419 1.00 0.00 N ATOM 655 CA MET A 38 0.992 1.054 -15.692 1.00 0.00 C ATOM 656 C MET A 38 0.290 -0.244 -16.124 1.00 0.00 C ATOM 657 O MET A 38 0.148 -0.482 -17.322 1.00 0.00 O ATOM 658 CB MET A 38 2.519 0.931 -15.708 1.00 0.00 C ATOM 659 CG MET A 38 3.082 0.158 -14.522 1.00 0.00 C ATOM 660 SD MET A 38 4.762 -0.445 -14.767 1.00 0.00 S ATOM 661 CE MET A 38 4.375 -2.002 -15.602 1.00 0.00 C ATOM 0 H MET A 38 1.130 1.560 -13.640 1.00 0.00 H new ATOM 0 HA MET A 38 0.743 1.798 -16.449 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.826 0.438 -16.631 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.955 1.930 -15.720 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.063 0.800 -13.641 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.430 -0.690 -14.312 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.285 -2.592 -15.711 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.649 -2.561 -15.012 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.958 -1.793 -16.587 1.00 0.00 H new ATOM 671 N PHE A 39 -0.213 -1.042 -15.175 1.00 0.00 N ATOM 672 CA PHE A 39 -1.111 -2.162 -15.481 1.00 0.00 C ATOM 673 C PHE A 39 -2.403 -1.673 -16.155 1.00 0.00 C ATOM 674 O PHE A 39 -2.672 -2.054 -17.299 1.00 0.00 O ATOM 675 CB PHE A 39 -1.398 -2.962 -14.205 1.00 0.00 C ATOM 676 CG PHE A 39 -2.553 -3.930 -14.359 1.00 0.00 C ATOM 677 CD1 PHE A 39 -2.548 -4.865 -15.412 1.00 0.00 C ATOM 678 CD2 PHE A 39 -3.666 -3.847 -13.498 1.00 0.00 C ATOM 679 CE1 PHE A 39 -3.638 -5.728 -15.594 1.00 0.00 C ATOM 680 CE2 PHE A 39 -4.768 -4.697 -13.693 1.00 0.00 C ATOM 681 CZ PHE A 39 -4.751 -5.630 -14.744 1.00 0.00 C ATOM 0 H PHE A 39 -0.011 -0.931 -14.181 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.619 -2.824 -16.194 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.503 -3.516 -13.921 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.617 -2.271 -13.391 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.702 -4.918 -16.081 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.672 -3.131 -12.689 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.621 -6.464 -16.384 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.624 -4.634 -13.038 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.602 -6.277 -14.899 1.00 0.00 H new ATOM 691 N GLN A 40 -3.186 -0.795 -15.510 1.00 0.00 N ATOM 692 CA GLN A 40 -4.420 -0.310 -16.155 1.00 0.00 C ATOM 693 C GLN A 40 -4.160 0.514 -17.437 1.00 0.00 C ATOM 694 O GLN A 40 -4.969 0.469 -18.363 1.00 0.00 O ATOM 695 CB GLN A 40 -5.341 0.386 -15.141 1.00 0.00 C ATOM 696 CG GLN A 40 -4.806 1.723 -14.618 1.00 0.00 C ATOM 697 CD GLN A 40 -5.465 2.117 -13.301 1.00 0.00 C ATOM 698 OE1 GLN A 40 -6.404 2.898 -13.246 1.00 0.00 O ATOM 699 NE2 GLN A 40 -4.996 1.580 -12.192 1.00 0.00 N ATOM 0 H GLN A 40 -3.001 -0.418 -14.581 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.961 -1.186 -16.513 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.313 0.553 -15.606 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.503 -0.283 -14.296 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.727 1.654 -14.479 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.982 2.501 -15.361 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.213 0.928 -12.233 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.416 1.817 -11.293 1.00 0.00 H new ATOM 708 N ALA A 41 -3.009 1.187 -17.559 1.00 0.00 N ATOM 709 CA ALA A 41 -2.568 1.802 -18.813 1.00 0.00 C ATOM 710 C ALA A 41 -2.326 0.747 -19.910 1.00 0.00 C ATOM 711 O ALA A 41 -2.860 0.879 -21.010 1.00 0.00 O ATOM 712 CB ALA A 41 -1.304 2.632 -18.562 1.00 0.00 C ATOM 0 H ALA A 41 -2.356 1.320 -16.786 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.361 2.458 -19.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.977 3.089 -19.496 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.520 3.412 -17.832 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.514 1.986 -18.179 1.00 0.00 H new ATOM 718 N ALA A 42 -1.604 -0.342 -19.617 1.00 0.00 N ATOM 719 CA ALA A 42 -1.412 -1.450 -20.555 1.00 0.00 C ATOM 720 C ALA A 42 -2.744 -2.092 -20.988 1.00 0.00 C ATOM 721 O ALA A 42 -2.880 -2.465 -22.149 1.00 0.00 O ATOM 722 CB ALA A 42 -0.464 -2.485 -19.940 1.00 0.00 C ATOM 0 H ALA A 42 -1.137 -0.478 -18.721 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.962 -1.049 -21.463 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.322 -3.309 -20.639 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.498 -2.018 -19.730 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.893 -2.866 -19.013 1.00 0.00 H new ATOM 728 N GLN A 43 -3.747 -2.155 -20.101 1.00 0.00 N ATOM 729 CA GLN A 43 -5.097 -2.606 -20.472 1.00 0.00 C ATOM 730 C GLN A 43 -5.741 -1.708 -21.545 1.00 0.00 C ATOM 731 O GLN A 43 -6.282 -2.222 -22.526 1.00 0.00 O ATOM 732 CB GLN A 43 -6.008 -2.741 -19.237 1.00 0.00 C ATOM 733 CG GLN A 43 -5.552 -3.820 -18.237 1.00 0.00 C ATOM 734 CD GLN A 43 -5.523 -5.219 -18.844 1.00 0.00 C ATOM 735 OE1 GLN A 43 -6.532 -5.765 -19.267 1.00 0.00 O ATOM 736 NE2 GLN A 43 -4.372 -5.850 -18.930 1.00 0.00 N ATOM 0 H GLN A 43 -3.649 -1.899 -19.119 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.984 -3.596 -20.913 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -6.052 -1.780 -18.724 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -7.020 -2.972 -19.569 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.557 -3.569 -17.868 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -6.221 -3.817 -17.377 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.521 -5.408 -18.582 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.330 -6.781 -19.345 1.00 0.00 H new ATOM 745 N LYS A 44 -5.609 -0.380 -21.404 1.00 0.00 N ATOM 746 CA LYS A 44 -6.118 0.582 -22.399 1.00 0.00 C ATOM 747 C LYS A 44 -5.367 0.437 -23.711 1.00 0.00 C ATOM 748 O LYS A 44 -5.984 0.347 -24.773 1.00 0.00 O ATOM 749 CB LYS A 44 -6.004 2.032 -21.892 1.00 0.00 C ATOM 750 CG LYS A 44 -6.881 2.351 -20.672 1.00 0.00 C ATOM 751 CD LYS A 44 -6.644 3.802 -20.236 1.00 0.00 C ATOM 752 CE LYS A 44 -7.353 4.102 -18.911 1.00 0.00 C ATOM 753 NZ LYS A 44 -7.215 5.533 -18.540 1.00 0.00 N ATOM 0 H LYS A 44 -5.150 0.057 -20.604 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.173 0.359 -22.561 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.963 2.234 -21.638 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.272 2.709 -22.703 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.932 2.201 -20.918 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.645 1.671 -19.853 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.574 3.983 -20.129 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.006 4.481 -21.008 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.409 3.845 -18.994 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.935 3.477 -18.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.222 5.625 -17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.318 5.904 -18.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.008 6.074 -18.941 1.00 0.00 H new ATOM 767 N LEU A 45 -4.040 0.340 -23.611 1.00 0.00 N ATOM 768 CA LEU A 45 -3.190 0.099 -24.772 1.00 0.00 C ATOM 769 C LEU A 45 -3.215 -1.367 -25.304 1.00 0.00 C ATOM 770 O LEU A 45 -2.399 -1.707 -26.165 1.00 0.00 O ATOM 771 CB LEU A 45 -1.771 0.681 -24.526 1.00 0.00 C ATOM 772 CG LEU A 45 -1.584 2.229 -24.507 1.00 0.00 C ATOM 773 CD1 LEU A 45 -2.320 2.930 -25.651 1.00 0.00 C ATOM 774 CD2 LEU A 45 -2.007 2.906 -23.206 1.00 0.00 C ATOM 0 H LEU A 45 -3.531 0.426 -22.731 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.621 0.646 -25.611 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.418 0.295 -23.570 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.112 0.279 -25.296 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.506 2.341 -24.621 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.153 4.005 -25.586 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.944 2.561 -26.605 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.388 2.723 -25.577 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.841 3.980 -23.284 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.064 2.714 -23.023 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.418 2.507 -22.380 1.00 0.00 H new ATOM 786 N GLY A 46 -4.158 -2.212 -24.841 1.00 0.00 N ATOM 787 CA GLY A 46 -4.419 -3.517 -25.499 1.00 0.00 C ATOM 788 C GLY A 46 -4.072 -4.791 -24.710 1.00 0.00 C ATOM 789 O GLY A 46 -3.757 -5.826 -25.305 1.00 0.00 O ATOM 0 H GLY A 46 -4.745 -2.023 -24.028 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.477 -3.558 -25.756 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.862 -3.539 -26.436 1.00 0.00 H new ATOM 793 N GLY A 47 -4.110 -4.706 -23.380 1.00 0.00 N ATOM 794 CA GLY A 47 -3.596 -5.757 -22.500 1.00 0.00 C ATOM 795 C GLY A 47 -2.109 -6.047 -22.711 1.00 0.00 C ATOM 796 O GLY A 47 -1.418 -5.372 -23.476 1.00 0.00 O ATOM 0 H GLY A 47 -4.499 -3.906 -22.881 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.759 -5.465 -21.463 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.165 -6.672 -22.667 1.00 0.00 H new ATOM 800 N TYR A 48 -1.604 -7.080 -22.036 1.00 0.00 N ATOM 801 CA TYR A 48 -0.268 -7.605 -22.347 1.00 0.00 C ATOM 802 C TYR A 48 -0.237 -8.268 -23.735 1.00 0.00 C ATOM 803 O TYR A 48 0.831 -8.430 -24.324 1.00 0.00 O ATOM 804 CB TYR A 48 0.148 -8.599 -21.253 1.00 0.00 C ATOM 805 CG TYR A 48 1.599 -9.050 -21.298 1.00 0.00 C ATOM 806 CD1 TYR A 48 2.638 -8.107 -21.163 1.00 0.00 C ATOM 807 CD2 TYR A 48 1.914 -10.417 -21.428 1.00 0.00 C ATOM 808 CE1 TYR A 48 3.982 -8.525 -21.154 1.00 0.00 C ATOM 809 CE2 TYR A 48 3.258 -10.841 -21.416 1.00 0.00 C ATOM 810 CZ TYR A 48 4.297 -9.894 -21.276 1.00 0.00 C ATOM 811 OH TYR A 48 5.600 -10.295 -21.245 1.00 0.00 O ATOM 0 H TYR A 48 -2.088 -7.566 -21.281 1.00 0.00 H new ATOM 0 HA TYR A 48 0.442 -6.778 -22.372 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.043 -8.144 -20.281 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.491 -9.479 -21.324 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.401 -7.058 -21.066 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.122 -11.143 -21.537 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.773 -7.796 -21.054 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.494 -11.890 -21.514 1.00 0.00 H new ATOM 0 HH TYR A 48 5.645 -11.269 -21.341 1.00 0.00 H new ATOM 821 N GLU A 49 -1.402 -8.639 -24.278 1.00 0.00 N ATOM 822 CA GLU A 49 -1.455 -9.455 -25.496 1.00 0.00 C ATOM 823 C GLU A 49 -1.049 -8.663 -26.749 1.00 0.00 C ATOM 824 O GLU A 49 -0.113 -9.058 -27.453 1.00 0.00 O ATOM 825 CB GLU A 49 -2.874 -10.037 -25.663 1.00 0.00 C ATOM 826 CG GLU A 49 -3.272 -11.089 -24.605 1.00 0.00 C ATOM 827 CD GLU A 49 -3.627 -10.553 -23.195 1.00 0.00 C ATOM 828 OE1 GLU A 49 -3.790 -9.324 -23.000 1.00 0.00 O ATOM 829 OE2 GLU A 49 -3.767 -11.385 -22.264 1.00 0.00 O ATOM 0 H GLU A 49 -2.314 -8.389 -23.897 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.733 -10.264 -25.387 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.593 -9.219 -25.629 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.952 -10.489 -26.652 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.129 -11.646 -24.984 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.450 -11.798 -24.503 1.00 0.00 H new ATOM 836 N THR A 50 -1.675 -7.508 -26.999 1.00 0.00 N ATOM 837 CA THR A 50 -1.271 -6.596 -28.079 1.00 0.00 C ATOM 838 C THR A 50 0.111 -5.991 -27.809 1.00 0.00 C ATOM 839 O THR A 50 0.876 -5.767 -28.747 1.00 0.00 O ATOM 840 CB THR A 50 -2.313 -5.486 -28.294 1.00 0.00 C ATOM 841 OG1 THR A 50 -3.579 -6.072 -28.527 1.00 0.00 O ATOM 842 CG2 THR A 50 -2.021 -4.613 -29.516 1.00 0.00 C ATOM 0 H THR A 50 -2.475 -7.178 -26.460 1.00 0.00 H new ATOM 0 HA THR A 50 -1.211 -7.185 -28.994 1.00 0.00 H new ATOM 0 HB THR A 50 -2.284 -4.869 -27.396 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.246 -5.367 -28.663 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.793 -3.850 -29.611 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.050 -4.133 -29.397 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.012 -5.233 -30.412 1.00 0.00 H new ATOM 850 N ILE A 51 0.471 -5.790 -26.535 1.00 0.00 N ATOM 851 CA ILE A 51 1.823 -5.353 -26.156 1.00 0.00 C ATOM 852 C ILE A 51 2.894 -6.366 -26.591 1.00 0.00 C ATOM 853 O ILE A 51 3.916 -5.975 -27.154 1.00 0.00 O ATOM 854 CB ILE A 51 1.841 -5.044 -24.632 1.00 0.00 C ATOM 855 CG1 ILE A 51 1.855 -3.524 -24.374 1.00 0.00 C ATOM 856 CG2 ILE A 51 2.988 -5.697 -23.849 1.00 0.00 C ATOM 857 CD1 ILE A 51 0.530 -2.836 -24.731 1.00 0.00 C ATOM 0 H ILE A 51 -0.159 -5.924 -25.744 1.00 0.00 H new ATOM 0 HA ILE A 51 2.078 -4.436 -26.688 1.00 0.00 H new ATOM 0 HB ILE A 51 0.920 -5.491 -24.258 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.079 -3.343 -23.323 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.659 -3.071 -24.954 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.913 -5.422 -22.797 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.924 -6.781 -23.946 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.943 -5.353 -24.247 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.608 -1.768 -24.526 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.315 -2.987 -25.789 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.275 -3.263 -24.132 1.00 0.00 H new ATOM 869 N THR A 52 2.638 -7.659 -26.380 1.00 0.00 N ATOM 870 CA THR A 52 3.590 -8.715 -26.762 1.00 0.00 C ATOM 871 C THR A 52 3.674 -8.852 -28.281 1.00 0.00 C ATOM 872 O THR A 52 4.772 -8.948 -28.833 1.00 0.00 O ATOM 873 CB THR A 52 3.215 -10.067 -26.134 1.00 0.00 C ATOM 874 OG1 THR A 52 3.168 -9.956 -24.729 1.00 0.00 O ATOM 875 CG2 THR A 52 4.260 -11.143 -26.440 1.00 0.00 C ATOM 0 H THR A 52 1.781 -8.004 -25.947 1.00 0.00 H new ATOM 0 HA THR A 52 4.567 -8.420 -26.380 1.00 0.00 H new ATOM 0 HB THR A 52 2.248 -10.343 -26.554 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.372 -9.447 -24.467 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.959 -12.084 -25.979 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.340 -11.277 -27.519 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.226 -10.836 -26.040 1.00 0.00 H new ATOM 883 N ALA A 53 2.522 -8.797 -28.962 1.00 0.00 N ATOM 884 CA ALA A 53 2.465 -8.855 -30.421 1.00 0.00 C ATOM 885 C ALA A 53 3.118 -7.647 -31.133 1.00 0.00 C ATOM 886 O ALA A 53 3.432 -7.748 -32.322 1.00 0.00 O ATOM 887 CB ALA A 53 0.992 -8.995 -30.823 1.00 0.00 C ATOM 0 H ALA A 53 1.609 -8.711 -28.515 1.00 0.00 H new ATOM 0 HA ALA A 53 3.053 -9.713 -30.746 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.914 -9.041 -31.909 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.582 -9.908 -30.391 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.431 -8.136 -30.455 1.00 0.00 H new ATOM 893 N ARG A 54 3.307 -6.510 -30.433 1.00 0.00 N ATOM 894 CA ARG A 54 3.777 -5.258 -31.058 1.00 0.00 C ATOM 895 C ARG A 54 4.839 -4.569 -30.178 1.00 0.00 C ATOM 896 O ARG A 54 5.603 -5.223 -29.463 1.00 0.00 O ATOM 897 CB ARG A 54 2.547 -4.362 -31.360 1.00 0.00 C ATOM 898 CG ARG A 54 1.477 -5.005 -32.258 1.00 0.00 C ATOM 899 CD ARG A 54 0.366 -3.998 -32.582 1.00 0.00 C ATOM 900 NE ARG A 54 -0.683 -4.600 -33.431 1.00 0.00 N ATOM 901 CZ ARG A 54 -0.699 -4.684 -34.751 1.00 0.00 C ATOM 902 NH1 ARG A 54 0.266 -4.215 -35.494 1.00 0.00 N ATOM 903 NH2 ARG A 54 -1.702 -5.251 -35.359 1.00 0.00 N ATOM 0 H ARG A 54 3.140 -6.434 -29.430 1.00 0.00 H new ATOM 0 HA ARG A 54 4.277 -5.467 -32.004 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.083 -4.078 -30.415 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.893 -3.444 -31.834 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.935 -5.359 -33.182 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.052 -5.876 -31.759 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.079 -3.635 -31.655 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.794 -3.134 -33.090 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.487 -4.996 -32.943 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.071 -3.764 -35.059 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.215 -4.300 -36.509 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.478 -5.632 -34.817 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.712 -5.314 -36.377 1.00 0.00 H new ATOM 917 N ARG A 55 4.895 -3.237 -30.250 1.00 0.00 N ATOM 918 CA ARG A 55 5.751 -2.311 -29.477 1.00 0.00 C ATOM 919 C ARG A 55 4.915 -1.117 -28.989 1.00 0.00 C ATOM 920 O ARG A 55 5.267 0.049 -29.170 1.00 0.00 O ATOM 921 CB ARG A 55 6.995 -1.905 -30.297 1.00 0.00 C ATOM 922 CG ARG A 55 7.870 -3.110 -30.679 1.00 0.00 C ATOM 923 CD ARG A 55 9.195 -2.660 -31.301 1.00 0.00 C ATOM 924 NE ARG A 55 10.008 -3.812 -31.745 1.00 0.00 N ATOM 925 CZ ARG A 55 9.997 -4.398 -32.931 1.00 0.00 C ATOM 926 NH1 ARG A 55 9.211 -4.008 -33.895 1.00 0.00 N ATOM 927 NH2 ARG A 55 10.792 -5.402 -33.173 1.00 0.00 N ATOM 0 H ARG A 55 4.297 -2.729 -30.902 1.00 0.00 H new ATOM 0 HA ARG A 55 6.134 -2.811 -28.587 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.676 -1.390 -31.203 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.590 -1.197 -29.721 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.068 -3.714 -29.793 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.332 -3.744 -31.383 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.995 -2.006 -32.150 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.759 -2.075 -30.574 1.00 0.00 H new ATOM 0 HE ARG A 55 10.653 -4.200 -31.057 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.574 -3.225 -33.749 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.233 -4.486 -34.796 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.425 -5.738 -32.447 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.781 -5.852 -34.088 1.00 0.00 H new ATOM 941 N GLN A 56 3.773 -1.448 -28.378 1.00 0.00 N ATOM 942 CA GLN A 56 2.804 -0.442 -27.909 1.00 0.00 C ATOM 943 C GLN A 56 3.240 0.305 -26.634 1.00 0.00 C ATOM 944 O GLN A 56 2.584 1.268 -26.238 1.00 0.00 O ATOM 945 CB GLN A 56 1.433 -1.109 -27.697 1.00 0.00 C ATOM 946 CG GLN A 56 0.695 -1.443 -29.000 1.00 0.00 C ATOM 947 CD GLN A 56 0.358 -0.203 -29.828 1.00 0.00 C ATOM 948 OE1 GLN A 56 0.974 0.084 -30.842 1.00 0.00 O ATOM 949 NE2 GLN A 56 -0.607 0.591 -29.413 1.00 0.00 N ATOM 0 H GLN A 56 3.492 -2.411 -28.194 1.00 0.00 H new ATOM 0 HA GLN A 56 2.744 0.318 -28.688 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.571 -2.026 -27.124 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.808 -0.449 -27.096 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.310 -2.116 -29.597 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.225 -1.977 -28.764 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.128 0.361 -28.567 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.833 1.436 -29.938 1.00 0.00 H new ATOM 958 N TRP A 57 4.357 -0.082 -26.006 1.00 0.00 N ATOM 959 CA TRP A 57 4.924 0.586 -24.827 1.00 0.00 C ATOM 960 C TRP A 57 5.105 2.097 -24.997 1.00 0.00 C ATOM 961 O TRP A 57 4.830 2.839 -24.060 1.00 0.00 O ATOM 962 CB TRP A 57 6.239 -0.076 -24.419 1.00 0.00 C ATOM 963 CG TRP A 57 6.105 -1.522 -24.086 1.00 0.00 C ATOM 964 CD1 TRP A 57 6.329 -2.557 -24.926 1.00 0.00 C ATOM 965 CD2 TRP A 57 5.663 -2.104 -22.823 1.00 0.00 C ATOM 966 NE1 TRP A 57 6.031 -3.740 -24.278 1.00 0.00 N ATOM 967 CE2 TRP A 57 5.639 -3.521 -22.974 1.00 0.00 C ATOM 968 CE3 TRP A 57 5.265 -1.578 -21.572 1.00 0.00 C ATOM 969 CZ2 TRP A 57 5.260 -4.374 -21.930 1.00 0.00 C ATOM 970 CZ3 TRP A 57 4.846 -2.424 -20.532 1.00 0.00 C ATOM 971 CH2 TRP A 57 4.847 -3.817 -20.712 1.00 0.00 C ATOM 0 H TRP A 57 4.905 -0.887 -26.310 1.00 0.00 H new ATOM 0 HA TRP A 57 4.192 0.464 -24.029 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.958 0.036 -25.230 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.648 0.450 -23.556 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.684 -2.473 -25.942 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.093 -4.662 -24.711 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.284 -0.510 -21.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.286 -5.446 -22.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.522 -2.002 -19.592 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.528 -4.463 -19.907 1.00 0.00 H new ATOM 982 N LYS A 58 5.466 2.592 -26.187 1.00 0.00 N ATOM 983 CA LYS A 58 5.561 4.047 -26.421 1.00 0.00 C ATOM 984 C LYS A 58 4.216 4.789 -26.310 1.00 0.00 C ATOM 985 O LYS A 58 4.213 5.989 -26.040 1.00 0.00 O ATOM 986 CB LYS A 58 6.308 4.361 -27.730 1.00 0.00 C ATOM 987 CG LYS A 58 7.740 3.788 -27.793 1.00 0.00 C ATOM 988 CD LYS A 58 8.623 3.990 -26.543 1.00 0.00 C ATOM 989 CE LYS A 58 8.719 5.451 -26.082 1.00 0.00 C ATOM 990 NZ LYS A 58 9.566 5.585 -24.869 1.00 0.00 N ATOM 0 H LYS A 58 5.696 2.018 -26.998 1.00 0.00 H new ATOM 0 HA LYS A 58 6.160 4.443 -25.601 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.733 3.966 -28.567 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.355 5.442 -27.858 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.670 2.718 -27.991 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.249 4.237 -28.646 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.225 3.387 -25.727 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.626 3.619 -26.754 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.133 6.061 -26.885 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.720 5.834 -25.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.410 6.519 -24.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.314 4.842 -24.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.567 5.488 -25.132 1.00 0.00 H new ATOM 1004 N HIS A 59 3.083 4.087 -26.407 1.00 0.00 N ATOM 1005 CA HIS A 59 1.765 4.657 -26.092 1.00 0.00 C ATOM 1006 C HIS A 59 1.343 4.396 -24.629 1.00 0.00 C ATOM 1007 O HIS A 59 0.523 5.135 -24.082 1.00 0.00 O ATOM 1008 CB HIS A 59 0.730 4.104 -27.082 1.00 0.00 C ATOM 1009 CG HIS A 59 1.072 4.379 -28.524 1.00 0.00 C ATOM 1010 ND1 HIS A 59 0.896 5.571 -29.192 1.00 0.00 N ATOM 1011 CD2 HIS A 59 1.640 3.503 -29.410 1.00 0.00 C ATOM 1012 CE1 HIS A 59 1.342 5.417 -30.450 1.00 0.00 C ATOM 1013 NE2 HIS A 59 1.809 4.167 -30.633 1.00 0.00 N ATOM 0 H HIS A 59 3.051 3.112 -26.704 1.00 0.00 H new ATOM 0 HA HIS A 59 1.825 5.740 -26.196 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.639 3.028 -26.937 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.244 4.539 -26.858 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.911 2.478 -29.203 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.328 6.187 -31.207 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.206 3.781 -31.490 1.00 0.00 H new ATOM 1021 N ILE A 60 1.923 3.392 -23.953 1.00 0.00 N ATOM 1022 CA ILE A 60 1.776 3.248 -22.495 1.00 0.00 C ATOM 1023 C ILE A 60 2.475 4.450 -21.865 1.00 0.00 C ATOM 1024 O ILE A 60 1.849 5.163 -21.097 1.00 0.00 O ATOM 1025 CB ILE A 60 2.314 1.897 -21.963 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.378 0.764 -22.433 1.00 0.00 C ATOM 1027 CG2 ILE A 60 2.407 1.907 -20.422 1.00 0.00 C ATOM 1028 CD1 ILE A 60 1.881 -0.651 -22.133 1.00 0.00 C ATOM 0 H ILE A 60 2.496 2.670 -24.390 1.00 0.00 H new ATOM 0 HA ILE A 60 0.721 3.233 -22.222 1.00 0.00 H new ATOM 0 HB ILE A 60 3.318 1.735 -22.356 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.405 0.896 -21.960 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.226 0.860 -23.508 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.788 0.947 -20.074 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.082 2.702 -20.103 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.417 2.080 -19.999 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.158 -1.380 -22.500 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.839 -0.809 -22.629 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.005 -0.773 -21.057 1.00 0.00 H new ATOM 1040 N TYR A 61 3.711 4.745 -22.284 1.00 0.00 N ATOM 1041 CA TYR A 61 4.459 5.971 -21.973 1.00 0.00 C ATOM 1042 C TYR A 61 3.608 7.236 -22.176 1.00 0.00 C ATOM 1043 O TYR A 61 3.616 8.136 -21.335 1.00 0.00 O ATOM 1044 CB TYR A 61 5.725 5.960 -22.853 1.00 0.00 C ATOM 1045 CG TYR A 61 6.509 7.246 -23.046 1.00 0.00 C ATOM 1046 CD1 TYR A 61 6.142 8.148 -24.064 1.00 0.00 C ATOM 1047 CD2 TYR A 61 7.685 7.472 -22.303 1.00 0.00 C ATOM 1048 CE1 TYR A 61 6.942 9.272 -24.337 1.00 0.00 C ATOM 1049 CE2 TYR A 61 8.500 8.588 -22.586 1.00 0.00 C ATOM 1050 CZ TYR A 61 8.129 9.492 -23.605 1.00 0.00 C ATOM 1051 OH TYR A 61 8.914 10.565 -23.884 1.00 0.00 O ATOM 0 H TYR A 61 4.242 4.107 -22.876 1.00 0.00 H new ATOM 0 HA TYR A 61 4.737 5.993 -20.919 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.408 5.220 -22.435 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.434 5.603 -23.841 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.243 7.976 -24.637 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.963 6.789 -21.514 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.648 9.968 -25.108 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.407 8.751 -22.023 1.00 0.00 H new ATOM 0 HH TYR A 61 9.508 10.742 -23.125 1.00 0.00 H new ATOM 1061 N ASP A 62 2.829 7.257 -23.264 1.00 0.00 N ATOM 1062 CA ASP A 62 1.867 8.337 -23.526 1.00 0.00 C ATOM 1063 C ASP A 62 0.802 8.466 -22.418 1.00 0.00 C ATOM 1064 O ASP A 62 0.618 9.555 -21.865 1.00 0.00 O ATOM 1065 CB ASP A 62 1.250 8.241 -24.927 1.00 0.00 C ATOM 1066 CG ASP A 62 0.495 9.532 -25.288 1.00 0.00 C ATOM 1067 OD1 ASP A 62 1.154 10.552 -25.602 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -0.759 9.528 -25.271 1.00 0.00 O ATOM 0 H ASP A 62 2.846 6.533 -23.983 1.00 0.00 H new ATOM 0 HA ASP A 62 2.437 9.266 -23.504 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.034 8.057 -25.661 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.567 7.392 -24.970 1.00 0.00 H new ATOM 1073 N GLU A 63 0.166 7.358 -22.024 1.00 0.00 N ATOM 1074 CA GLU A 63 -0.729 7.335 -20.850 1.00 0.00 C ATOM 1075 C GLU A 63 -0.026 7.618 -19.495 1.00 0.00 C ATOM 1076 O GLU A 63 -0.635 8.238 -18.617 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.485 5.991 -20.848 1.00 0.00 C ATOM 1078 CG GLU A 63 -2.515 5.782 -19.722 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.754 6.701 -19.758 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -3.888 7.572 -20.653 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -4.639 6.525 -18.886 1.00 0.00 O ATOM 0 H GLU A 63 0.251 6.460 -22.499 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.429 8.165 -20.947 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.999 5.888 -21.804 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.751 5.187 -20.792 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.854 4.747 -19.755 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.011 5.922 -18.766 1.00 0.00 H new ATOM 1088 N LEU A 64 1.246 7.227 -19.308 1.00 0.00 N ATOM 1089 CA LEU A 64 2.032 7.510 -18.085 1.00 0.00 C ATOM 1090 C LEU A 64 2.428 8.990 -17.939 1.00 0.00 C ATOM 1091 O LEU A 64 2.760 9.428 -16.831 1.00 0.00 O ATOM 1092 CB LEU A 64 3.316 6.646 -18.006 1.00 0.00 C ATOM 1093 CG LEU A 64 3.134 5.120 -18.076 1.00 0.00 C ATOM 1094 CD1 LEU A 64 4.429 4.404 -17.702 1.00 0.00 C ATOM 1095 CD2 LEU A 64 2.015 4.583 -17.180 1.00 0.00 C ATOM 0 H LEU A 64 1.768 6.699 -20.008 1.00 0.00 H new ATOM 0 HA LEU A 64 1.362 7.253 -17.265 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.977 6.946 -18.819 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.828 6.884 -17.074 1.00 0.00 H new ATOM 0 HG LEU A 64 2.856 4.917 -19.110 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.278 3.326 -17.758 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.219 4.696 -18.394 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.716 4.678 -16.687 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.951 3.500 -17.287 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.229 4.833 -16.141 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.066 5.033 -17.473 1.00 0.00 H new ATOM 1107 N GLY A 65 2.423 9.750 -19.042 1.00 0.00 N ATOM 1108 CA GLY A 65 2.852 11.153 -19.030 1.00 0.00 C ATOM 1109 C GLY A 65 4.345 11.345 -19.343 1.00 0.00 C ATOM 1110 O GLY A 65 4.933 12.321 -18.873 1.00 0.00 O ATOM 0 H GLY A 65 2.125 9.414 -19.958 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.263 11.710 -19.758 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.637 11.581 -18.051 1.00 0.00 H new ATOM 1114 N GLY A 66 4.956 10.388 -20.061 1.00 0.00 N ATOM 1115 CA GLY A 66 6.378 10.446 -20.431 1.00 0.00 C ATOM 1116 C GLY A 66 6.929 11.775 -20.976 1.00 0.00 C ATOM 1117 O GLY A 66 6.204 12.610 -21.523 1.00 0.00 O ATOM 0 H GLY A 66 4.478 9.554 -20.400 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.963 10.178 -19.551 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.559 9.677 -21.181 1.00 0.00 H new ATOM 1121 N ASN A 67 8.249 11.942 -20.843 1.00 0.00 N ATOM 1122 CA ASN A 67 8.980 13.194 -21.078 1.00 0.00 C ATOM 1123 C ASN A 67 10.315 12.966 -21.832 1.00 0.00 C ATOM 1124 O ASN A 67 10.896 11.880 -21.735 1.00 0.00 O ATOM 1125 CB ASN A 67 9.246 13.831 -19.700 1.00 0.00 C ATOM 1126 CG ASN A 67 8.011 14.498 -19.114 1.00 0.00 C ATOM 1127 OD1 ASN A 67 7.473 15.452 -19.660 1.00 0.00 O ATOM 1128 ND2 ASN A 67 7.537 14.035 -17.980 1.00 0.00 N ATOM 0 H ASN A 67 8.863 11.179 -20.557 1.00 0.00 H new ATOM 0 HA ASN A 67 8.381 13.848 -21.712 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.601 13.064 -19.012 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.043 14.569 -19.793 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.719 14.471 -17.553 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.986 13.240 -17.526 1.00 0.00 H new ATOM 1135 N PRO A 68 10.834 13.983 -22.553 1.00 0.00 N ATOM 1136 CA PRO A 68 12.088 13.878 -23.304 1.00 0.00 C ATOM 1137 C PRO A 68 13.318 13.672 -22.400 1.00 0.00 C ATOM 1138 O PRO A 68 13.350 14.110 -21.246 1.00 0.00 O ATOM 1139 CB PRO A 68 12.186 15.170 -24.124 1.00 0.00 C ATOM 1140 CG PRO A 68 11.371 16.175 -23.316 1.00 0.00 C ATOM 1141 CD PRO A 68 10.260 15.313 -22.718 1.00 0.00 C ATOM 0 HA PRO A 68 12.080 12.995 -23.943 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.220 15.494 -24.239 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.780 15.039 -25.127 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.972 16.653 -22.542 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.971 16.970 -23.946 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.925 15.715 -21.762 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.391 15.285 -23.375 1.00 0.00 H new ATOM 1149 N GLY A 69 14.333 12.988 -22.947 1.00 0.00 N ATOM 1150 CA GLY A 69 15.507 12.559 -22.165 1.00 0.00 C ATOM 1151 C GLY A 69 15.322 11.207 -21.452 1.00 0.00 C ATOM 1152 O GLY A 69 16.171 10.820 -20.646 1.00 0.00 O ATOM 0 H GLY A 69 14.367 12.718 -23.930 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.369 12.494 -22.829 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.735 13.323 -21.421 1.00 0.00 H new ATOM 1156 N SER A 70 14.238 10.486 -21.779 1.00 0.00 N ATOM 1157 CA SER A 70 13.878 9.212 -21.125 1.00 0.00 C ATOM 1158 C SER A 70 13.338 8.219 -22.168 1.00 0.00 C ATOM 1159 O SER A 70 12.357 7.520 -21.932 1.00 0.00 O ATOM 1160 CB SER A 70 12.836 9.460 -20.018 1.00 0.00 C ATOM 1161 OG SER A 70 13.341 10.345 -19.029 1.00 0.00 O ATOM 0 H SER A 70 13.582 10.769 -22.507 1.00 0.00 H new ATOM 0 HA SER A 70 14.769 8.782 -20.668 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.929 9.878 -20.455 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.560 8.512 -19.555 1.00 0.00 H new ATOM 0 HG SER A 70 12.595 10.737 -18.529 1.00 0.00 H new ATOM 1167 N THR A 71 13.928 8.193 -23.372 1.00 0.00 N ATOM 1168 CA THR A 71 13.433 7.411 -24.528 1.00 0.00 C ATOM 1169 C THR A 71 13.274 5.903 -24.254 1.00 0.00 C ATOM 1170 O THR A 71 12.367 5.264 -24.794 1.00 0.00 O ATOM 1171 CB THR A 71 14.308 7.673 -25.769 1.00 0.00 C ATOM 1172 OG1 THR A 71 13.691 7.145 -26.920 1.00 0.00 O ATOM 1173 CG2 THR A 71 15.721 7.086 -25.679 1.00 0.00 C ATOM 0 H THR A 71 14.776 8.721 -23.579 1.00 0.00 H new ATOM 0 HA THR A 71 12.421 7.766 -24.722 1.00 0.00 H new ATOM 0 HB THR A 71 14.406 8.757 -25.824 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.255 7.319 -27.702 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.269 7.316 -26.593 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.241 7.519 -24.825 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.659 6.005 -25.555 1.00 0.00 H new ATOM 1181 N SER A 72 14.081 5.336 -23.350 1.00 0.00 N ATOM 1182 CA SER A 72 13.981 3.948 -22.864 1.00 0.00 C ATOM 1183 C SER A 72 12.759 3.659 -21.975 1.00 0.00 C ATOM 1184 O SER A 72 12.447 2.492 -21.734 1.00 0.00 O ATOM 1185 CB SER A 72 15.258 3.594 -22.089 1.00 0.00 C ATOM 1186 OG SER A 72 15.472 4.523 -21.035 1.00 0.00 O ATOM 0 H SER A 72 14.851 5.847 -22.919 1.00 0.00 H new ATOM 0 HA SER A 72 13.856 3.330 -23.753 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.177 2.586 -21.683 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.114 3.597 -22.764 1.00 0.00 H new ATOM 0 HG SER A 72 16.289 4.284 -20.549 1.00 0.00 H new ATOM 1192 N ALA A 73 12.054 4.685 -21.484 1.00 0.00 N ATOM 1193 CA ALA A 73 10.870 4.498 -20.646 1.00 0.00 C ATOM 1194 C ALA A 73 9.755 3.730 -21.381 1.00 0.00 C ATOM 1195 O ALA A 73 9.588 3.877 -22.597 1.00 0.00 O ATOM 1196 CB ALA A 73 10.393 5.874 -20.168 1.00 0.00 C ATOM 0 H ALA A 73 12.289 5.662 -21.657 1.00 0.00 H new ATOM 0 HA ALA A 73 11.133 3.883 -19.785 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.510 5.755 -19.541 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.185 6.354 -19.593 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.145 6.493 -21.030 1.00 0.00 H new ATOM 1202 N ALA A 74 8.992 2.914 -20.644 1.00 0.00 N ATOM 1203 CA ALA A 74 8.048 1.906 -21.145 1.00 0.00 C ATOM 1204 C ALA A 74 8.698 0.763 -21.960 1.00 0.00 C ATOM 1205 O ALA A 74 8.322 -0.396 -21.790 1.00 0.00 O ATOM 1206 CB ALA A 74 6.853 2.587 -21.807 1.00 0.00 C ATOM 0 H ALA A 74 9.018 2.940 -19.625 1.00 0.00 H new ATOM 0 HA ALA A 74 7.660 1.360 -20.285 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.160 1.830 -22.174 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.346 3.220 -21.079 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.198 3.198 -22.641 1.00 0.00 H new ATOM 1212 N THR A 75 9.739 1.028 -22.754 1.00 0.00 N ATOM 1213 CA THR A 75 10.511 -0.033 -23.421 1.00 0.00 C ATOM 1214 C THR A 75 11.292 -0.885 -22.417 1.00 0.00 C ATOM 1215 O THR A 75 11.294 -2.112 -22.530 1.00 0.00 O ATOM 1216 CB THR A 75 11.475 0.573 -24.460 1.00 0.00 C ATOM 1217 OG1 THR A 75 10.769 1.450 -25.316 1.00 0.00 O ATOM 1218 CG2 THR A 75 12.126 -0.486 -25.349 1.00 0.00 C ATOM 0 H THR A 75 10.071 1.972 -22.953 1.00 0.00 H new ATOM 0 HA THR A 75 9.798 -0.683 -23.928 1.00 0.00 H new ATOM 0 HB THR A 75 12.249 1.089 -23.892 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.387 1.834 -25.973 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.794 -0.002 -26.061 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.695 -1.180 -24.731 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.353 -1.032 -25.890 1.00 0.00 H new ATOM 1226 N CYS A 76 11.896 -0.279 -21.386 1.00 0.00 N ATOM 1227 CA CYS A 76 12.508 -1.016 -20.275 1.00 0.00 C ATOM 1228 C CYS A 76 11.439 -1.692 -19.398 1.00 0.00 C ATOM 1229 O CYS A 76 11.606 -2.841 -18.996 1.00 0.00 O ATOM 1230 CB CYS A 76 13.397 -0.051 -19.481 1.00 0.00 C ATOM 1231 SG CYS A 76 14.436 -0.994 -18.328 1.00 0.00 S ATOM 0 H CYS A 76 11.973 0.734 -21.300 1.00 0.00 H new ATOM 0 HA CYS A 76 13.129 -1.824 -20.661 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.022 0.527 -20.161 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.780 0.661 -18.932 1.00 0.00 H new ATOM 0 HG CYS A 76 13.681 -1.601 -17.461 1.00 0.00 H new ATOM 1237 N THR A 77 10.304 -1.023 -19.175 1.00 0.00 N ATOM 1238 CA THR A 77 9.150 -1.633 -18.482 1.00 0.00 C ATOM 1239 C THR A 77 8.732 -3.012 -19.022 1.00 0.00 C ATOM 1240 O THR A 77 8.292 -3.854 -18.238 1.00 0.00 O ATOM 1241 CB THR A 77 7.957 -0.672 -18.509 1.00 0.00 C ATOM 1242 OG1 THR A 77 8.393 0.607 -18.099 1.00 0.00 O ATOM 1243 CG2 THR A 77 6.824 -1.068 -17.581 1.00 0.00 C ATOM 0 H THR A 77 10.153 -0.056 -19.463 1.00 0.00 H new ATOM 0 HA THR A 77 9.479 -1.809 -17.458 1.00 0.00 H new ATOM 0 HB THR A 77 7.579 -0.691 -19.531 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.637 1.231 -18.114 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.018 -0.338 -17.658 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.450 -2.052 -17.863 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.189 -1.099 -16.554 1.00 0.00 H new ATOM 1251 N ARG A 78 8.952 -3.306 -20.316 1.00 0.00 N ATOM 1252 CA ARG A 78 8.668 -4.627 -20.893 1.00 0.00 C ATOM 1253 C ARG A 78 9.442 -5.748 -20.214 1.00 0.00 C ATOM 1254 O ARG A 78 8.937 -6.869 -20.168 1.00 0.00 O ATOM 1255 CB ARG A 78 8.979 -4.573 -22.404 1.00 0.00 C ATOM 1256 CG ARG A 78 8.531 -5.812 -23.199 1.00 0.00 C ATOM 1257 CD ARG A 78 8.851 -5.653 -24.694 1.00 0.00 C ATOM 1258 NE ARG A 78 8.258 -6.751 -25.492 1.00 0.00 N ATOM 1259 CZ ARG A 78 7.504 -6.664 -26.576 1.00 0.00 C ATOM 1260 NH1 ARG A 78 7.207 -5.528 -27.134 1.00 0.00 N ATOM 1261 NH2 ARG A 78 7.020 -7.736 -27.133 1.00 0.00 N ATOM 0 H ARG A 78 9.330 -2.636 -20.986 1.00 0.00 H new ATOM 0 HA ARG A 78 7.615 -4.857 -20.730 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.497 -3.692 -22.829 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.053 -4.443 -22.535 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.030 -6.699 -22.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.460 -5.965 -23.067 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.470 -4.696 -25.050 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.931 -5.639 -24.837 1.00 0.00 H new ATOM 0 HE ARG A 78 8.456 -7.696 -25.164 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.559 -4.657 -26.736 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.622 -5.508 -27.969 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.221 -8.653 -26.734 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.440 -7.659 -27.968 1.00 0.00 H new ATOM 1275 N ARG A 79 10.608 -5.436 -19.625 1.00 0.00 N ATOM 1276 CA ARG A 79 11.389 -6.408 -18.850 1.00 0.00 C ATOM 1277 C ARG A 79 11.265 -6.266 -17.322 1.00 0.00 C ATOM 1278 O ARG A 79 12.121 -6.750 -16.581 1.00 0.00 O ATOM 1279 CB ARG A 79 12.841 -6.489 -19.372 1.00 0.00 C ATOM 1280 CG ARG A 79 13.590 -5.148 -19.312 1.00 0.00 C ATOM 1281 CD ARG A 79 15.087 -5.263 -19.622 1.00 0.00 C ATOM 1282 NE ARG A 79 15.840 -5.928 -18.538 1.00 0.00 N ATOM 1283 CZ ARG A 79 16.302 -5.369 -17.431 1.00 0.00 C ATOM 1284 NH1 ARG A 79 16.068 -4.124 -17.130 1.00 0.00 N ATOM 1285 NH2 ARG A 79 17.021 -6.062 -16.595 1.00 0.00 N ATOM 0 H ARG A 79 11.031 -4.509 -19.673 1.00 0.00 H new ATOM 0 HA ARG A 79 10.934 -7.383 -19.026 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.388 -7.228 -18.787 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.829 -6.844 -20.403 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.134 -4.455 -20.019 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.466 -4.717 -18.319 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.221 -5.821 -20.549 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.498 -4.267 -19.788 1.00 0.00 H new ATOM 0 HE ARG A 79 16.023 -6.924 -18.656 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.511 -3.544 -17.757 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.442 -3.729 -16.267 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.231 -7.041 -16.792 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.375 -5.626 -15.743 1.00 0.00 H new ATOM 1299 N HIS A 80 10.174 -5.644 -16.865 1.00 0.00 N ATOM 1300 CA HIS A 80 9.739 -5.603 -15.458 1.00 0.00 C ATOM 1301 C HIS A 80 8.260 -6.008 -15.292 1.00 0.00 C ATOM 1302 O HIS A 80 7.888 -6.592 -14.273 1.00 0.00 O ATOM 1303 CB HIS A 80 10.036 -4.224 -14.855 1.00 0.00 C ATOM 1304 CG HIS A 80 11.509 -3.898 -14.884 1.00 0.00 C ATOM 1305 ND1 HIS A 80 12.467 -4.401 -14.035 1.00 0.00 N ATOM 1306 CD2 HIS A 80 12.155 -3.095 -15.784 1.00 0.00 C ATOM 1307 CE1 HIS A 80 13.658 -3.912 -14.411 1.00 0.00 C ATOM 1308 NE2 HIS A 80 13.520 -3.102 -15.472 1.00 0.00 N ATOM 0 H HIS A 80 9.543 -5.135 -17.485 1.00 0.00 H new ATOM 0 HA HIS A 80 10.313 -6.346 -14.904 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.485 -3.462 -15.406 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.679 -4.194 -13.826 1.00 0.00 H new ATOM 0 HD1 HIS A 80 12.301 -5.036 -13.254 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.693 -2.551 -16.594 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.597 -4.138 -13.927 1.00 0.00 H new ATOM 1316 N TYR A 81 7.420 -5.795 -16.314 1.00 0.00 N ATOM 1317 CA TYR A 81 6.049 -6.316 -16.357 1.00 0.00 C ATOM 1318 C TYR A 81 6.017 -7.855 -16.296 1.00 0.00 C ATOM 1319 O TYR A 81 5.111 -8.438 -15.698 1.00 0.00 O ATOM 1320 CB TYR A 81 5.398 -5.797 -17.651 1.00 0.00 C ATOM 1321 CG TYR A 81 3.881 -5.893 -17.756 1.00 0.00 C ATOM 1322 CD1 TYR A 81 3.250 -7.128 -18.008 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.102 -4.718 -17.696 1.00 0.00 C ATOM 1324 CE1 TYR A 81 1.853 -7.190 -18.187 1.00 0.00 C ATOM 1325 CE2 TYR A 81 1.709 -4.770 -17.900 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.080 -6.005 -18.161 1.00 0.00 C ATOM 1327 OH TYR A 81 -0.263 -6.039 -18.386 1.00 0.00 O ATOM 0 H TYR A 81 7.676 -5.253 -17.139 1.00 0.00 H new ATOM 0 HA TYR A 81 5.495 -5.970 -15.485 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.679 -4.751 -17.774 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.830 -6.344 -18.489 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.840 -8.031 -18.064 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.578 -3.770 -17.492 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.372 -8.144 -18.344 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.123 -3.864 -17.857 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.628 -5.131 -18.328 1.00 0.00 H new ATOM 1337 N GLU A 82 7.039 -8.520 -16.855 1.00 0.00 N ATOM 1338 CA GLU A 82 7.160 -9.977 -16.969 1.00 0.00 C ATOM 1339 C GLU A 82 7.295 -10.699 -15.623 1.00 0.00 C ATOM 1340 O GLU A 82 7.117 -11.918 -15.586 1.00 0.00 O ATOM 1341 CB GLU A 82 8.307 -10.356 -17.931 1.00 0.00 C ATOM 1342 CG GLU A 82 9.619 -9.562 -17.806 1.00 0.00 C ATOM 1343 CD GLU A 82 10.283 -9.646 -16.426 1.00 0.00 C ATOM 1344 OE1 GLU A 82 9.955 -8.811 -15.557 1.00 0.00 O ATOM 1345 OE2 GLU A 82 11.173 -10.499 -16.198 1.00 0.00 O ATOM 0 H GLU A 82 7.839 -8.032 -17.258 1.00 0.00 H new ATOM 0 HA GLU A 82 6.217 -10.327 -17.388 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.536 -11.412 -17.785 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.942 -10.247 -18.952 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.322 -9.925 -18.556 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.419 -8.515 -18.036 1.00 0.00 H new ATOM 1352 N ARG A 83 7.552 -9.969 -14.524 1.00 0.00 N ATOM 1353 CA ARG A 83 7.584 -10.561 -13.182 1.00 0.00 C ATOM 1354 C ARG A 83 6.969 -9.739 -12.039 1.00 0.00 C ATOM 1355 O ARG A 83 6.945 -10.231 -10.912 1.00 0.00 O ATOM 1356 CB ARG A 83 8.995 -11.091 -12.850 1.00 0.00 C ATOM 1357 CG ARG A 83 8.964 -12.458 -12.133 1.00 0.00 C ATOM 1358 CD ARG A 83 8.539 -13.602 -13.068 1.00 0.00 C ATOM 1359 NE ARG A 83 8.290 -14.863 -12.341 1.00 0.00 N ATOM 1360 CZ ARG A 83 7.835 -15.983 -12.877 1.00 0.00 C ATOM 1361 NH1 ARG A 83 7.630 -16.098 -14.160 1.00 0.00 N ATOM 1362 NH2 ARG A 83 7.561 -17.020 -12.140 1.00 0.00 N ATOM 0 H ARG A 83 7.740 -8.967 -14.542 1.00 0.00 H new ATOM 0 HA ARG A 83 6.891 -11.400 -13.245 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.571 -11.181 -13.771 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.512 -10.367 -12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.952 -12.674 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.275 -12.407 -11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.636 -13.312 -13.605 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.316 -13.764 -13.815 1.00 0.00 H new ATOM 0 HE ARG A 83 8.486 -14.871 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.821 -15.311 -14.780 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.278 -16.975 -14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.696 -16.978 -11.130 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.211 -17.875 -12.572 1.00 0.00 H new ATOM 1376 N LEU A 84 6.411 -8.551 -12.306 1.00 0.00 N ATOM 1377 CA LEU A 84 5.690 -7.771 -11.284 1.00 0.00 C ATOM 1378 C LEU A 84 4.188 -7.614 -11.588 1.00 0.00 C ATOM 1379 O LEU A 84 3.468 -7.048 -10.769 1.00 0.00 O ATOM 1380 CB LEU A 84 6.384 -6.413 -11.047 1.00 0.00 C ATOM 1381 CG LEU A 84 7.676 -6.408 -10.203 1.00 0.00 C ATOM 1382 CD1 LEU A 84 7.542 -7.172 -8.883 1.00 0.00 C ATOM 1383 CD2 LEU A 84 8.915 -6.934 -10.928 1.00 0.00 C ATOM 0 H LEU A 84 6.444 -8.106 -13.223 1.00 0.00 H new ATOM 0 HA LEU A 84 5.736 -8.341 -10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.617 -5.980 -12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.666 -5.748 -10.566 1.00 0.00 H new ATOM 0 HG LEU A 84 7.819 -5.346 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.486 -7.128 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.755 -6.720 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.289 -8.212 -9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.774 -6.893 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.745 -7.965 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.111 -6.319 -11.807 1.00 0.00 H new ATOM 1395 N ILE A 85 3.691 -8.157 -12.707 1.00 0.00 N ATOM 1396 CA ILE A 85 2.240 -8.248 -12.961 1.00 0.00 C ATOM 1397 C ILE A 85 1.842 -9.393 -13.886 1.00 0.00 C ATOM 1398 O ILE A 85 0.794 -9.991 -13.649 1.00 0.00 O ATOM 1399 CB ILE A 85 1.683 -6.883 -13.427 1.00 0.00 C ATOM 1400 CG1 ILE A 85 0.161 -6.910 -13.692 1.00 0.00 C ATOM 1401 CG2 ILE A 85 2.474 -6.264 -14.590 1.00 0.00 C ATOM 1402 CD1 ILE A 85 -0.279 -7.243 -15.120 1.00 0.00 C ATOM 0 H ILE A 85 4.270 -8.541 -13.454 1.00 0.00 H new ATOM 0 HA ILE A 85 1.772 -8.498 -12.009 1.00 0.00 H new ATOM 0 HB ILE A 85 1.831 -6.212 -12.581 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.290 -7.638 -13.018 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.248 -5.935 -13.428 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.028 -5.308 -14.865 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.508 -6.107 -14.284 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.447 -6.937 -15.447 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.367 -7.231 -15.178 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.129 -6.503 -15.808 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.087 -8.233 -15.392 1.00 0.00 H new ATOM 1414 N LEU A 86 2.676 -9.801 -14.852 1.00 0.00 N ATOM 1415 CA LEU A 86 2.443 -11.035 -15.614 1.00 0.00 C ATOM 1416 C LEU A 86 2.189 -12.256 -14.690 1.00 0.00 C ATOM 1417 O LEU A 86 1.247 -13.000 -14.962 1.00 0.00 O ATOM 1418 CB LEU A 86 3.581 -11.212 -16.641 1.00 0.00 C ATOM 1419 CG LEU A 86 3.508 -12.377 -17.649 1.00 0.00 C ATOM 1420 CD1 LEU A 86 3.900 -13.729 -17.047 1.00 0.00 C ATOM 1421 CD2 LEU A 86 2.146 -12.499 -18.328 1.00 0.00 C ATOM 0 H LEU A 86 3.518 -9.294 -15.124 1.00 0.00 H new ATOM 0 HA LEU A 86 1.516 -10.957 -16.182 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.654 -10.287 -17.213 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.512 -11.317 -16.084 1.00 0.00 H new ATOM 0 HG LEU A 86 4.248 -12.116 -18.406 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.826 -14.503 -17.811 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.925 -13.680 -16.678 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.229 -13.968 -16.222 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.161 -13.337 -19.025 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.377 -12.667 -17.574 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.926 -11.580 -18.871 1.00 0.00 H new ATOM 1433 N PRO A 87 2.905 -12.454 -13.557 1.00 0.00 N ATOM 1434 CA PRO A 87 2.553 -13.479 -12.572 1.00 0.00 C ATOM 1435 C PRO A 87 1.203 -13.289 -11.865 1.00 0.00 C ATOM 1436 O PRO A 87 0.598 -14.299 -11.501 1.00 0.00 O ATOM 1437 CB PRO A 87 3.671 -13.476 -11.530 1.00 0.00 C ATOM 1438 CG PRO A 87 4.849 -12.872 -12.274 1.00 0.00 C ATOM 1439 CD PRO A 87 4.172 -11.847 -13.182 1.00 0.00 C ATOM 0 HA PRO A 87 2.447 -14.422 -13.108 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.403 -12.884 -10.655 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.893 -14.483 -11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 87 5.562 -12.405 -11.595 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.397 -13.622 -12.845 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.018 -10.901 -12.663 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.782 -11.633 -14.060 1.00 0.00 H new ATOM 1447 N TYR A 88 0.711 -12.053 -11.650 1.00 0.00 N ATOM 1448 CA TYR A 88 -0.580 -11.851 -10.985 1.00 0.00 C ATOM 1449 C TYR A 88 -1.776 -11.892 -11.936 1.00 0.00 C ATOM 1450 O TYR A 88 -2.801 -12.473 -11.589 1.00 0.00 O ATOM 1451 CB TYR A 88 -0.578 -10.674 -9.994 1.00 0.00 C ATOM 1452 CG TYR A 88 -0.860 -9.239 -10.415 1.00 0.00 C ATOM 1453 CD1 TYR A 88 -2.126 -8.874 -10.925 1.00 0.00 C ATOM 1454 CD2 TYR A 88 0.065 -8.229 -10.080 1.00 0.00 C ATOM 1455 CE1 TYR A 88 -2.453 -7.514 -11.112 1.00 0.00 C ATOM 1456 CE2 TYR A 88 -0.261 -6.873 -10.266 1.00 0.00 C ATOM 1457 CZ TYR A 88 -1.525 -6.508 -10.775 1.00 0.00 C ATOM 1458 OH TYR A 88 -1.853 -5.196 -10.929 1.00 0.00 O ATOM 0 H TYR A 88 1.185 -11.193 -11.925 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.725 -12.728 -10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.306 -10.919 -9.221 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.403 -10.671 -9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.847 -9.639 -11.173 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.031 -8.498 -9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.418 -7.243 -11.515 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.460 -6.108 -10.018 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.375 -5.084 -11.751 1.00 0.00 H new ATOM 1468 N GLU A 89 -1.658 -11.403 -13.173 1.00 0.00 N ATOM 1469 CA GLU A 89 -2.749 -11.503 -14.155 1.00 0.00 C ATOM 1470 C GLU A 89 -3.132 -12.964 -14.483 1.00 0.00 C ATOM 1471 O GLU A 89 -4.246 -13.226 -14.935 1.00 0.00 O ATOM 1472 CB GLU A 89 -2.485 -10.608 -15.380 1.00 0.00 C ATOM 1473 CG GLU A 89 -1.475 -11.131 -16.413 1.00 0.00 C ATOM 1474 CD GLU A 89 -2.086 -12.072 -17.470 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -3.202 -11.801 -17.971 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -1.430 -13.067 -17.854 1.00 0.00 O ATOM 0 H GLU A 89 -0.822 -10.934 -13.521 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.651 -11.101 -13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.434 -10.438 -15.888 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.136 -9.639 -15.024 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.017 -10.282 -16.920 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.677 -11.659 -15.890 1.00 0.00 H new ATOM 1483 N ARG A 90 -2.279 -13.946 -14.142 1.00 0.00 N ATOM 1484 CA ARG A 90 -2.646 -15.370 -14.215 1.00 0.00 C ATOM 1485 C ARG A 90 -3.857 -15.751 -13.351 1.00 0.00 C ATOM 1486 O ARG A 90 -4.608 -16.641 -13.757 1.00 0.00 O ATOM 1487 CB ARG A 90 -1.450 -16.276 -13.879 1.00 0.00 C ATOM 1488 CG ARG A 90 -0.117 -15.974 -14.585 1.00 0.00 C ATOM 1489 CD ARG A 90 -0.216 -15.603 -16.069 1.00 0.00 C ATOM 1490 NE ARG A 90 -0.787 -16.684 -16.882 1.00 0.00 N ATOM 1491 CZ ARG A 90 -1.040 -16.659 -18.174 1.00 0.00 C ATOM 1492 NH1 ARG A 90 -0.977 -15.577 -18.896 1.00 0.00 N ATOM 1493 NH2 ARG A 90 -1.373 -17.774 -18.751 1.00 0.00 N ATOM 0 H ARG A 90 -1.328 -13.778 -13.812 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.943 -15.532 -15.251 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.281 -16.227 -12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.729 -17.304 -14.111 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.374 -15.156 -14.058 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.528 -16.847 -14.491 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.830 -14.709 -16.176 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.777 -15.355 -16.445 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.013 -17.550 -16.392 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.721 -14.689 -18.463 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.184 -15.617 -19.894 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.432 -18.633 -18.205 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.576 -17.790 -19.751 1.00 0.00 H new ATOM 1507 N PHE A 91 -4.136 -15.081 -12.220 1.00 0.00 N ATOM 1508 CA PHE A 91 -5.398 -15.334 -11.491 1.00 0.00 C ATOM 1509 C PHE A 91 -6.654 -14.879 -12.244 1.00 0.00 C ATOM 1510 O PHE A 91 -7.731 -15.403 -11.969 1.00 0.00 O ATOM 1511 CB PHE A 91 -5.391 -14.806 -10.040 1.00 0.00 C ATOM 1512 CG PHE A 91 -5.225 -13.311 -9.803 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -6.130 -12.359 -10.323 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -4.170 -12.868 -8.985 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -5.925 -10.981 -10.105 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -3.985 -11.497 -8.752 1.00 0.00 C ATOM 1517 CZ PHE A 91 -4.835 -10.550 -9.330 1.00 0.00 C ATOM 0 H PHE A 91 -3.528 -14.380 -11.798 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.450 -16.421 -11.432 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.327 -15.112 -9.573 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.588 -15.316 -9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.986 -12.689 -10.892 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.500 -13.586 -8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.604 -10.258 -10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.175 -11.169 -8.118 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.655 -9.495 -9.182 1.00 0.00 H new ATOM 1527 N ILE A 92 -6.525 -14.001 -13.247 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.657 -13.621 -14.110 1.00 0.00 C ATOM 1529 C ILE A 92 -7.606 -14.315 -15.483 1.00 0.00 C ATOM 1530 O ILE A 92 -8.377 -13.999 -16.392 1.00 0.00 O ATOM 1531 CB ILE A 92 -7.877 -12.086 -14.054 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -9.336 -11.720 -14.399 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -6.872 -11.291 -14.904 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -9.731 -10.295 -13.986 1.00 0.00 C ATOM 0 H ILE A 92 -5.647 -13.538 -13.483 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.596 -14.020 -13.726 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.687 -11.788 -13.023 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.485 -11.831 -15.473 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.004 -12.429 -13.910 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.085 -10.226 -14.818 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.860 -11.488 -14.550 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.957 -11.595 -15.947 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.770 -10.111 -14.261 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.616 -10.184 -12.908 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.088 -9.577 -14.496 1.00 0.00 H new ATOM 1546 N LYS A 93 -6.756 -15.353 -15.568 1.00 0.00 N ATOM 1547 CA LYS A 93 -6.751 -16.297 -16.691 1.00 0.00 C ATOM 1548 C LYS A 93 -7.378 -17.657 -16.336 1.00 0.00 C ATOM 1549 O LYS A 93 -7.575 -18.482 -17.229 1.00 0.00 O ATOM 1550 CB LYS A 93 -5.317 -16.437 -17.220 1.00 0.00 C ATOM 1551 CG LYS A 93 -4.798 -15.232 -18.031 1.00 0.00 C ATOM 1552 CD LYS A 93 -5.563 -15.037 -19.352 1.00 0.00 C ATOM 1553 CE LYS A 93 -4.799 -14.185 -20.378 1.00 0.00 C ATOM 1554 NZ LYS A 93 -4.747 -12.745 -20.028 1.00 0.00 N ATOM 0 H LYS A 93 -6.054 -15.558 -14.857 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.386 -15.895 -17.481 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.649 -16.601 -16.375 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.263 -17.327 -17.847 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.884 -14.328 -17.428 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.739 -15.372 -18.246 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.776 -16.013 -19.788 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.523 -14.565 -19.142 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.782 -14.566 -20.469 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.270 -14.297 -21.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.355 -12.207 -20.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.707 -12.404 -19.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.142 -12.612 -19.192 1.00 0.00 H new ATOM 1568 N GLY A 94 -7.748 -17.879 -15.067 1.00 0.00 N ATOM 1569 CA GLY A 94 -8.562 -19.049 -14.686 1.00 0.00 C ATOM 1570 C GLY A 94 -8.883 -19.215 -13.195 1.00 0.00 C ATOM 1571 O GLY A 94 -9.514 -20.206 -12.830 1.00 0.00 O ATOM 0 H GLY A 94 -7.500 -17.269 -14.288 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.504 -18.999 -15.232 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.044 -19.947 -15.024 1.00 0.00 H new ATOM 1575 N GLU A 95 -8.437 -18.291 -12.333 1.00 0.00 N ATOM 1576 CA GLU A 95 -8.456 -18.408 -10.854 1.00 0.00 C ATOM 1577 C GLU A 95 -7.719 -19.686 -10.392 1.00 0.00 C ATOM 1578 O GLU A 95 -8.008 -20.297 -9.364 1.00 0.00 O ATOM 1579 CB GLU A 95 -9.902 -18.229 -10.336 1.00 0.00 C ATOM 1580 CG GLU A 95 -10.074 -17.986 -8.827 1.00 0.00 C ATOM 1581 CD GLU A 95 -9.263 -16.780 -8.319 1.00 0.00 C ATOM 1582 OE1 GLU A 95 -9.790 -15.642 -8.312 1.00 0.00 O ATOM 1583 OE2 GLU A 95 -8.097 -16.982 -7.899 1.00 0.00 O ATOM 0 H GLU A 95 -8.037 -17.407 -12.649 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.888 -17.602 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.352 -17.391 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.471 -19.119 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.130 -17.826 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.767 -18.879 -8.283 1.00 0.00 H new ATOM 1590 N GLU A 96 -6.748 -20.102 -11.212 1.00 0.00 N ATOM 1591 CA GLU A 96 -6.069 -21.390 -11.157 1.00 0.00 C ATOM 1592 C GLU A 96 -4.669 -21.329 -11.794 1.00 0.00 C ATOM 1593 O GLU A 96 -3.729 -21.882 -11.229 1.00 0.00 O ATOM 1594 CB GLU A 96 -6.968 -22.406 -11.885 1.00 0.00 C ATOM 1595 CG GLU A 96 -6.395 -23.818 -11.856 1.00 0.00 C ATOM 1596 CD GLU A 96 -7.387 -24.828 -12.463 1.00 0.00 C ATOM 1597 OE1 GLU A 96 -8.322 -25.275 -11.754 1.00 0.00 O ATOM 1598 OE2 GLU A 96 -7.239 -25.190 -13.658 1.00 0.00 O ATOM 0 H GLU A 96 -6.400 -19.514 -11.970 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.911 -21.686 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.956 -22.409 -11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.101 -22.092 -12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.457 -23.845 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.166 -24.100 -10.828 1.00 0.00 H new ATOM 1605 N ASP A 97 -4.497 -20.623 -12.927 1.00 0.00 N ATOM 1606 CA ASP A 97 -3.158 -20.506 -13.548 1.00 0.00 C ATOM 1607 C ASP A 97 -2.131 -19.680 -12.726 1.00 0.00 C ATOM 1608 O ASP A 97 -0.950 -19.611 -13.079 1.00 0.00 O ATOM 1609 CB ASP A 97 -3.318 -19.966 -14.977 1.00 0.00 C ATOM 1610 CG ASP A 97 -2.104 -20.283 -15.865 1.00 0.00 C ATOM 1611 OD1 ASP A 97 -1.755 -21.479 -16.018 1.00 0.00 O ATOM 1612 OD2 ASP A 97 -1.541 -19.345 -16.473 1.00 0.00 O ATOM 0 H ASP A 97 -5.244 -20.136 -13.422 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.726 -21.506 -13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.214 -20.395 -15.426 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.465 -18.887 -14.940 1.00 0.00 H new ATOM 1617 N LYS A 98 -2.594 -19.078 -11.619 1.00 0.00 N ATOM 1618 CA LYS A 98 -1.708 -18.451 -10.623 1.00 0.00 C ATOM 1619 C LYS A 98 -0.621 -19.425 -10.101 1.00 0.00 C ATOM 1620 O LYS A 98 -0.945 -20.587 -9.845 1.00 0.00 O ATOM 1621 CB LYS A 98 -2.567 -17.864 -9.486 1.00 0.00 C ATOM 1622 CG LYS A 98 -3.448 -18.888 -8.741 1.00 0.00 C ATOM 1623 CD LYS A 98 -4.468 -18.193 -7.832 1.00 0.00 C ATOM 1624 CE LYS A 98 -5.371 -19.232 -7.158 1.00 0.00 C ATOM 1625 NZ LYS A 98 -6.440 -18.581 -6.359 1.00 0.00 N ATOM 0 H LYS A 98 -3.586 -19.012 -11.389 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.158 -17.641 -11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.908 -17.381 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.210 -17.087 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.970 -19.515 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.817 -19.547 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.950 -17.605 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.073 -17.499 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.820 -19.873 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.771 -19.874 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.024 -19.310 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.010 -17.975 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.036 -18.001 -6.984 1.00 0.00 H new ATOM 1639 N PRO A 99 0.652 -18.997 -9.938 1.00 0.00 N ATOM 1640 CA PRO A 99 1.760 -19.871 -9.528 1.00 0.00 C ATOM 1641 C PRO A 99 1.492 -20.738 -8.280 1.00 0.00 C ATOM 1642 O PRO A 99 1.184 -20.206 -7.210 1.00 0.00 O ATOM 1643 CB PRO A 99 2.960 -18.936 -9.310 1.00 0.00 C ATOM 1644 CG PRO A 99 2.686 -17.782 -10.269 1.00 0.00 C ATOM 1645 CD PRO A 99 1.161 -17.663 -10.244 1.00 0.00 C ATOM 0 HA PRO A 99 1.930 -20.614 -10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.021 -18.594 -8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.903 -19.433 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.167 -16.861 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.057 -17.995 -11.272 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.839 -16.942 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.782 -17.313 -11.204 1.00 0.00 H new ATOM 1653 N LEU A 100 1.656 -22.063 -8.428 1.00 0.00 N ATOM 1654 CA LEU A 100 1.507 -23.016 -7.305 1.00 0.00 C ATOM 1655 C LEU A 100 0.107 -22.981 -6.630 1.00 0.00 C ATOM 1656 O LEU A 100 -0.010 -22.626 -5.450 1.00 0.00 O ATOM 1657 CB LEU A 100 2.690 -22.910 -6.314 1.00 0.00 C ATOM 1658 CG LEU A 100 4.093 -23.093 -6.927 1.00 0.00 C ATOM 1659 CD1 LEU A 100 5.152 -22.925 -5.836 1.00 0.00 C ATOM 1660 CD2 LEU A 100 4.288 -24.470 -7.564 1.00 0.00 C ATOM 0 H LEU A 100 1.893 -22.504 -9.317 1.00 0.00 H new ATOM 0 HA LEU A 100 1.555 -24.016 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.649 -21.934 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.554 -23.658 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 100 4.194 -22.338 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.144 -23.054 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.072 -21.928 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.995 -23.673 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.294 -24.540 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.153 -25.243 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.557 -24.609 -8.360 1.00 0.00 H new ATOM 1672 N PRO A 101 -0.970 -23.323 -7.371 1.00 0.00 N ATOM 1673 CA PRO A 101 -2.354 -23.238 -6.888 1.00 0.00 C ATOM 1674 C PRO A 101 -2.721 -24.330 -5.851 1.00 0.00 C ATOM 1675 O PRO A 101 -1.975 -25.305 -5.703 1.00 0.00 O ATOM 1676 CB PRO A 101 -3.210 -23.363 -8.156 1.00 0.00 C ATOM 1677 CG PRO A 101 -2.368 -24.267 -9.056 1.00 0.00 C ATOM 1678 CD PRO A 101 -0.943 -23.836 -8.737 1.00 0.00 C ATOM 0 HA PRO A 101 -2.518 -22.304 -6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.185 -23.802 -7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.392 -22.392 -8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.530 -25.322 -8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.607 -24.123 -10.110 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.253 -24.676 -8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.602 -23.070 -9.434 1.00 0.00 H new ATOM 1686 N PRO A 102 -3.885 -24.222 -5.165 1.00 0.00 N ATOM 1687 CA PRO A 102 -4.462 -25.211 -4.222 1.00 0.00 C ATOM 1688 C PRO A 102 -4.754 -26.648 -4.738 1.00 0.00 C ATOM 1689 O PRO A 102 -5.605 -27.335 -4.166 1.00 0.00 O ATOM 1690 CB PRO A 102 -5.756 -24.564 -3.702 1.00 0.00 C ATOM 1691 CG PRO A 102 -5.518 -23.071 -3.861 1.00 0.00 C ATOM 1692 CD PRO A 102 -4.706 -23.011 -5.146 1.00 0.00 C ATOM 0 HA PRO A 102 -3.697 -25.406 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.623 -24.892 -4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.943 -24.829 -2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.453 -22.516 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.973 -22.653 -3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.359 -22.969 -6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.083 -22.117 -5.172 1.00 0.00 H new ATOM 1700 N ILE A 103 -4.084 -27.102 -5.803 1.00 0.00 N ATOM 1701 CA ILE A 103 -4.391 -28.394 -6.465 1.00 0.00 C ATOM 1702 C ILE A 103 -3.132 -29.233 -6.764 1.00 0.00 C ATOM 1703 O ILE A 103 -3.118 -30.074 -7.668 1.00 0.00 O ATOM 1704 CB ILE A 103 -5.292 -28.189 -7.713 1.00 0.00 C ATOM 1705 CG1 ILE A 103 -4.640 -27.245 -8.749 1.00 0.00 C ATOM 1706 CG2 ILE A 103 -6.686 -27.682 -7.298 1.00 0.00 C ATOM 1707 CD1 ILE A 103 -5.356 -27.213 -10.102 1.00 0.00 C ATOM 0 H ILE A 103 -3.314 -26.592 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.964 -28.987 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.408 -29.159 -8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.615 -26.235 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.606 -27.552 -8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.302 -27.544 -8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -7.157 -28.411 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -6.586 -26.731 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -4.837 -26.528 -10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.359 -28.213 -10.536 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.383 -26.876 -9.962 1.00 0.00 H new ATOM 1719 N LYS A 104 -2.076 -29.005 -5.974 1.00 0.00 N ATOM 1720 CA LYS A 104 -0.806 -29.750 -6.090 1.00 0.00 C ATOM 1721 C LYS A 104 -0.080 -29.835 -4.730 1.00 0.00 C ATOM 1722 O LYS A 104 -0.091 -28.839 -4.002 1.00 0.00 O ATOM 1723 CB LYS A 104 0.089 -29.032 -7.130 1.00 0.00 C ATOM 1724 CG LYS A 104 1.321 -29.832 -7.596 1.00 0.00 C ATOM 1725 CD LYS A 104 0.947 -30.998 -8.529 1.00 0.00 C ATOM 1726 CE LYS A 104 2.137 -31.898 -8.897 1.00 0.00 C ATOM 1727 NZ LYS A 104 3.198 -31.174 -9.642 1.00 0.00 N ATOM 0 H LYS A 104 -2.073 -28.301 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.016 -30.770 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.518 -28.789 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.428 -28.088 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.010 -29.164 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.848 -30.222 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.179 -31.604 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.511 -30.595 -9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.562 -32.320 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.782 -32.734 -9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.794 -31.858 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.760 -30.522 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.784 -30.634 -8.974 1.00 0.00 H new ATOM 1741 N PRO A 105 0.602 -30.952 -4.387 1.00 0.00 N ATOM 1742 CA PRO A 105 1.522 -31.085 -3.234 1.00 0.00 C ATOM 1743 C PRO A 105 2.776 -30.170 -3.235 1.00 0.00 C ATOM 1744 O PRO A 105 3.835 -30.583 -2.759 1.00 0.00 O ATOM 1745 CB PRO A 105 1.928 -32.571 -3.216 1.00 0.00 C ATOM 1746 CG PRO A 105 0.783 -33.280 -3.925 1.00 0.00 C ATOM 1747 CD PRO A 105 0.395 -32.265 -4.992 1.00 0.00 C ATOM 0 HA PRO A 105 0.997 -30.752 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.875 -32.731 -3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.053 -32.937 -2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.097 -34.229 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.044 -33.497 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.007 -32.384 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.643 -32.396 -5.297 1.00 0.00 H new ATOM 1755 N ARG A 106 2.708 -28.964 -3.823 1.00 0.00 N ATOM 1756 CA ARG A 106 3.786 -27.990 -4.143 1.00 0.00 C ATOM 1757 C ARG A 106 5.034 -28.495 -4.902 1.00 0.00 C ATOM 1758 O ARG A 106 5.879 -27.675 -5.269 1.00 0.00 O ATOM 1759 CB ARG A 106 4.100 -27.087 -2.926 1.00 0.00 C ATOM 1760 CG ARG A 106 4.671 -27.741 -1.653 1.00 0.00 C ATOM 1761 CD ARG A 106 6.043 -28.406 -1.840 1.00 0.00 C ATOM 1762 NE ARG A 106 6.581 -28.911 -0.561 1.00 0.00 N ATOM 1763 CZ ARG A 106 6.347 -30.088 -0.001 1.00 0.00 C ATOM 1764 NH1 ARG A 106 5.536 -30.966 -0.519 1.00 0.00 N ATOM 1765 NH2 ARG A 106 6.936 -30.409 1.116 1.00 0.00 N ATOM 0 H ARG A 106 1.803 -28.601 -4.121 1.00 0.00 H new ATOM 0 HA ARG A 106 3.346 -27.377 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.807 -26.325 -3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.180 -26.571 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.752 -26.982 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.964 -28.490 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.955 -29.229 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.741 -27.688 -2.271 1.00 0.00 H new ATOM 0 HE ARG A 106 7.203 -28.283 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.050 -30.759 -1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.387 -31.860 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.579 -29.753 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.755 -31.316 1.546 1.00 0.00 H new ATOM 1779 N LYS A 107 5.145 -29.805 -5.155 1.00 0.00 N ATOM 1780 CA LYS A 107 6.200 -30.378 -6.010 1.00 0.00 C ATOM 1781 C LYS A 107 6.126 -29.855 -7.454 1.00 0.00 C ATOM 1782 O LYS A 107 5.015 -29.875 -8.035 1.00 0.00 O ATOM 1783 CB LYS A 107 6.108 -31.914 -5.933 1.00 0.00 C ATOM 1784 CG LYS A 107 7.268 -32.614 -6.663 1.00 0.00 C ATOM 1785 CD LYS A 107 7.199 -34.149 -6.569 1.00 0.00 C ATOM 1786 CE LYS A 107 7.345 -34.716 -5.146 1.00 0.00 C ATOM 1787 NZ LYS A 107 8.705 -34.499 -4.582 1.00 0.00 N ATOM 1788 OXT LYS A 107 7.176 -29.454 -8.001 1.00 0.00 O ATOM 0 H LYS A 107 4.506 -30.502 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 107 7.176 -30.060 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.103 -32.222 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.162 -32.240 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.260 -32.319 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.214 -32.272 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.246 -34.482 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.983 -34.573 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.606 -34.249 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.127 -35.784 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.751 -34.899 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.410 -34.967 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.906 -33.479 -4.542 1.00 0.00 H new TER 1802 LYS A 107