USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 634 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 13 LYS NZ :NH3+ 137:sc= -5.44! (180deg=-7!) USER MOD Set 1.2: A 16 ASN : amide:sc= -3.26 K(o=-13,f=-17!) USER MOD Set 1.3: A 63 MET CE :methyl 174:sc= -4.54! (180deg=-2.73) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0422 (180deg=-0.201) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 10 SER OG : rot 87:sc= 1.2 USER MOD Single : A 15 ASN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0855 X(o=-0.085,f=-0.024) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : A 27 ASN : amide:sc= -0.637 K(o=-0.64,f=-1.5) USER MOD Single : A 28 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.086) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 38 GLN : amide:sc= -1.95 X(o=-2,f=-2) USER MOD Single : A 39 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.44) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.02 F(o=-1.8,f=-1) USER MOD Single : A 42 SER OG : rot 180:sc= -0.599 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HE2:sc= 0.0123 F(o=-0.75,f=0.012) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00187 K(o=-0.0019,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0218) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -109:sc= 0.00057 (180deg=-0.101) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.425 -1.045 8.063 1.00 0.00 N ATOM 2 CA MET A 1 -15.972 -2.347 7.509 1.00 0.00 C ATOM 3 C MET A 1 -14.450 -2.409 7.419 1.00 0.00 C ATOM 4 O MET A 1 -13.896 -3.075 6.546 1.00 0.00 O ATOM 5 CB MET A 1 -16.588 -2.526 6.119 1.00 0.00 C ATOM 6 CG MET A 1 -18.025 -3.022 6.151 1.00 0.00 C ATOM 7 SD MET A 1 -18.395 -4.165 4.805 1.00 0.00 S ATOM 8 CE MET A 1 -18.687 -3.020 3.460 1.00 0.00 C ATOM 0 H1 MET A 1 -17.448 -0.940 7.911 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.221 -1.012 9.082 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.923 -0.270 7.584 1.00 0.00 H new ATOM 0 HA MET A 1 -16.296 -3.149 8.172 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.552 -1.574 5.589 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.982 -3.230 5.550 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.214 -3.516 7.104 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.701 -2.169 6.094 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.929 -3.576 2.554 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.519 -2.363 3.715 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.792 -2.422 3.290 1.00 0.00 H new ATOM 20 N PHE A 2 -13.780 -1.708 8.328 1.00 0.00 N ATOM 21 CA PHE A 2 -12.323 -1.682 8.352 1.00 0.00 C ATOM 22 C PHE A 2 -11.772 -2.818 9.210 1.00 0.00 C ATOM 23 O PHE A 2 -11.682 -2.699 10.432 1.00 0.00 O ATOM 24 CB PHE A 2 -11.823 -0.338 8.886 1.00 0.00 C ATOM 25 CG PHE A 2 -11.613 0.692 7.813 1.00 0.00 C ATOM 26 CD1 PHE A 2 -12.638 1.024 6.942 1.00 0.00 C ATOM 27 CD2 PHE A 2 -10.389 1.328 7.676 1.00 0.00 C ATOM 28 CE1 PHE A 2 -12.447 1.971 5.954 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.193 2.277 6.690 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.222 2.598 5.828 1.00 0.00 C ATOM 0 H PHE A 2 -14.224 -1.150 9.058 1.00 0.00 H new ATOM 0 HA PHE A 2 -11.967 -1.815 7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -12.541 0.045 9.611 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.884 -0.494 9.418 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -13.597 0.537 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.580 1.079 8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -13.254 2.221 5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.235 2.767 6.594 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.070 3.338 5.056 1.00 0.00 H new ATOM 40 N HIS A 3 -11.406 -3.918 8.561 1.00 0.00 N ATOM 41 CA HIS A 3 -10.865 -5.075 9.263 1.00 0.00 C ATOM 42 C HIS A 3 -9.593 -5.575 8.589 1.00 0.00 C ATOM 43 O HIS A 3 -8.493 -5.411 9.113 1.00 0.00 O ATOM 44 CB HIS A 3 -11.905 -6.196 9.323 1.00 0.00 C ATOM 45 CG HIS A 3 -12.017 -6.837 10.671 1.00 0.00 C ATOM 46 ND1 HIS A 3 -13.225 -7.106 11.279 1.00 0.00 N ATOM 47 CD2 HIS A 3 -11.062 -7.264 11.531 1.00 0.00 C ATOM 48 CE1 HIS A 3 -13.009 -7.670 12.455 1.00 0.00 C ATOM 49 NE2 HIS A 3 -11.705 -7.777 12.631 1.00 0.00 N ATOM 0 H HIS A 3 -11.474 -4.032 7.550 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.617 -4.769 10.279 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.877 -5.794 9.039 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.648 -6.958 8.587 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.994 -7.211 11.380 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.769 -7.989 13.153 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.249 -8.176 13.451 1.00 0.00 H new ATOM 58 N GLU A 4 -9.755 -6.187 7.424 1.00 0.00 N ATOM 59 CA GLU A 4 -8.625 -6.717 6.669 1.00 0.00 C ATOM 60 C GLU A 4 -7.856 -5.604 5.954 1.00 0.00 C ATOM 61 O GLU A 4 -6.822 -5.844 5.335 1.00 0.00 O ATOM 62 CB GLU A 4 -9.107 -7.752 5.650 1.00 0.00 C ATOM 63 CG GLU A 4 -10.006 -7.171 4.571 1.00 0.00 C ATOM 64 CD GLU A 4 -10.864 -8.224 3.898 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.814 -8.717 4.542 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.585 -8.557 2.727 1.00 0.00 O ATOM 0 H GLU A 4 -10.661 -6.330 6.979 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.949 -7.194 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.241 -8.216 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.646 -8.542 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.650 -6.410 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.392 -6.674 3.820 1.00 0.00 H new ATOM 73 N PHE A 5 -8.364 -4.387 6.041 1.00 0.00 N ATOM 74 CA PHE A 5 -7.722 -3.249 5.411 1.00 0.00 C ATOM 75 C PHE A 5 -6.753 -2.583 6.372 1.00 0.00 C ATOM 76 O PHE A 5 -5.811 -1.910 5.962 1.00 0.00 O ATOM 77 CB PHE A 5 -8.761 -2.243 4.943 1.00 0.00 C ATOM 78 CG PHE A 5 -9.456 -2.642 3.672 1.00 0.00 C ATOM 79 CD1 PHE A 5 -10.378 -3.676 3.666 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.189 -1.981 2.483 1.00 0.00 C ATOM 81 CE1 PHE A 5 -11.020 -4.045 2.499 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.828 -2.346 1.312 1.00 0.00 C ATOM 83 CZ PHE A 5 -10.743 -3.378 1.321 1.00 0.00 C ATOM 0 H PHE A 5 -9.222 -4.162 6.544 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.166 -3.609 4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.506 -2.111 5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.278 -1.277 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.598 -4.200 4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.474 -1.172 2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -11.737 -4.853 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.611 -1.824 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.243 -3.665 0.408 1.00 0.00 H new ATOM 93 N ARG A 6 -6.989 -2.783 7.656 1.00 0.00 N ATOM 94 CA ARG A 6 -6.129 -2.220 8.678 1.00 0.00 C ATOM 95 C ARG A 6 -5.459 -3.344 9.445 1.00 0.00 C ATOM 96 O ARG A 6 -4.334 -3.200 9.922 1.00 0.00 O ATOM 97 CB ARG A 6 -6.928 -1.321 9.625 1.00 0.00 C ATOM 98 CG ARG A 6 -6.114 -0.785 10.792 1.00 0.00 C ATOM 99 CD ARG A 6 -6.252 -1.671 12.020 1.00 0.00 C ATOM 100 NE ARG A 6 -7.452 -1.355 12.790 1.00 0.00 N ATOM 101 CZ ARG A 6 -7.638 -1.722 14.056 1.00 0.00 C ATOM 102 NH1 ARG A 6 -6.706 -2.417 14.696 1.00 0.00 N ATOM 103 NH2 ARG A 6 -8.759 -1.392 14.684 1.00 0.00 N ATOM 0 H ARG A 6 -7.770 -3.332 8.015 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.365 -1.605 8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.332 -0.481 9.060 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.778 -1.882 10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.064 -0.719 10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.443 0.226 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.284 -2.716 11.711 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.373 -1.552 12.653 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.191 -0.822 12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.842 -2.673 14.218 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.854 -2.696 15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.478 -0.857 14.197 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.902 -1.673 15.654 1.00 0.00 H new ATOM 117 N ASP A 7 -6.150 -4.472 9.545 1.00 0.00 N ATOM 118 CA ASP A 7 -5.606 -5.621 10.235 1.00 0.00 C ATOM 119 C ASP A 7 -4.841 -6.508 9.267 1.00 0.00 C ATOM 120 O ASP A 7 -3.861 -7.142 9.650 1.00 0.00 O ATOM 121 CB ASP A 7 -6.710 -6.420 10.932 1.00 0.00 C ATOM 122 CG ASP A 7 -7.601 -5.548 11.794 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.981 -4.448 11.339 1.00 0.00 O ATOM 124 OD2 ASP A 7 -7.920 -5.964 12.928 1.00 0.00 O ATOM 0 H ASP A 7 -7.083 -4.610 9.157 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.917 -5.260 10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.318 -6.925 10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.258 -7.195 11.550 1.00 0.00 H new ATOM 129 N GLU A 8 -5.261 -6.538 8.003 1.00 0.00 N ATOM 130 CA GLU A 8 -4.550 -7.341 7.023 1.00 0.00 C ATOM 131 C GLU A 8 -3.482 -6.495 6.357 1.00 0.00 C ATOM 132 O GLU A 8 -2.469 -7.010 5.888 1.00 0.00 O ATOM 133 CB GLU A 8 -5.494 -7.942 5.984 1.00 0.00 C ATOM 134 CG GLU A 8 -5.323 -9.442 5.804 1.00 0.00 C ATOM 135 CD GLU A 8 -6.542 -10.227 6.252 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.909 -10.126 7.440 1.00 0.00 O ATOM 137 OE2 GLU A 8 -7.127 -10.942 5.412 1.00 0.00 O ATOM 0 H GLU A 8 -6.069 -6.028 7.645 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.080 -8.177 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.523 -7.734 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.329 -7.448 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.122 -9.658 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.453 -9.775 6.370 1.00 0.00 H new ATOM 144 N ILE A 9 -3.705 -5.185 6.322 1.00 0.00 N ATOM 145 CA ILE A 9 -2.733 -4.295 5.716 1.00 0.00 C ATOM 146 C ILE A 9 -1.645 -3.907 6.703 1.00 0.00 C ATOM 147 O ILE A 9 -0.500 -3.677 6.314 1.00 0.00 O ATOM 148 CB ILE A 9 -3.394 -3.021 5.166 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.538 -3.393 4.215 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.357 -2.144 4.474 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.055 -2.235 3.387 1.00 0.00 C ATOM 0 H ILE A 9 -4.535 -4.727 6.699 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.285 -4.844 4.888 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.815 -2.448 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.197 -4.181 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.362 -3.805 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.839 -1.245 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.583 -1.863 5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.906 -2.696 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.862 -2.581 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.429 -1.453 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.246 -1.836 2.775 1.00 0.00 H new ATOM 163 N SER A 10 -1.996 -3.819 7.980 1.00 0.00 N ATOM 164 CA SER A 10 -1.018 -3.439 8.985 1.00 0.00 C ATOM 165 C SER A 10 -0.309 -4.645 9.594 1.00 0.00 C ATOM 166 O SER A 10 0.766 -4.504 10.173 1.00 0.00 O ATOM 167 CB SER A 10 -1.672 -2.604 10.086 1.00 0.00 C ATOM 168 OG SER A 10 -2.500 -1.594 9.537 1.00 0.00 O ATOM 0 H SER A 10 -2.934 -4.002 8.337 1.00 0.00 H new ATOM 0 HA SER A 10 -0.263 -2.839 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.263 -3.251 10.734 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.901 -2.148 10.708 1.00 0.00 H new ATOM 0 HG SER A 10 -3.395 -1.958 9.373 1.00 0.00 H new ATOM 174 N VAL A 11 -0.906 -5.826 9.488 1.00 0.00 N ATOM 175 CA VAL A 11 -0.290 -7.019 10.064 1.00 0.00 C ATOM 176 C VAL A 11 0.612 -7.741 9.069 1.00 0.00 C ATOM 177 O VAL A 11 1.659 -8.268 9.442 1.00 0.00 O ATOM 178 CB VAL A 11 -1.345 -8.002 10.613 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.682 -9.266 11.146 1.00 0.00 C ATOM 180 CG2 VAL A 11 -2.175 -7.337 11.700 1.00 0.00 C ATOM 0 H VAL A 11 -1.798 -5.984 9.019 1.00 0.00 H new ATOM 0 HA VAL A 11 0.326 -6.667 10.892 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.007 -8.285 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.445 -9.944 11.528 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.132 -9.755 10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.006 -9.005 11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.914 -8.044 12.077 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.523 -7.025 12.516 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.683 -6.465 11.288 1.00 0.00 H new ATOM 190 N LEU A 12 0.198 -7.778 7.813 1.00 0.00 N ATOM 191 CA LEU A 12 0.972 -8.456 6.780 1.00 0.00 C ATOM 192 C LEU A 12 1.960 -7.516 6.119 1.00 0.00 C ATOM 193 O LEU A 12 3.083 -7.905 5.795 1.00 0.00 O ATOM 194 CB LEU A 12 0.047 -9.043 5.716 1.00 0.00 C ATOM 195 CG LEU A 12 -1.324 -9.477 6.226 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.268 -9.745 5.062 1.00 0.00 C ATOM 197 CD2 LEU A 12 -1.199 -10.707 7.114 1.00 0.00 C ATOM 0 H LEU A 12 -0.666 -7.349 7.482 1.00 0.00 H new ATOM 0 HA LEU A 12 1.527 -9.259 7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.092 -8.303 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.539 -9.903 5.262 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.742 -8.666 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.240 -10.053 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.383 -8.837 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.858 -10.537 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.187 -11.002 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.759 -11.525 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.561 -10.476 7.967 1.00 0.00 H new ATOM 209 N LYS A 13 1.535 -6.283 5.897 1.00 0.00 N ATOM 210 CA LYS A 13 2.398 -5.306 5.246 1.00 0.00 C ATOM 211 C LYS A 13 3.409 -4.705 6.215 1.00 0.00 C ATOM 212 O LYS A 13 4.529 -4.377 5.825 1.00 0.00 O ATOM 213 CB LYS A 13 1.576 -4.202 4.585 1.00 0.00 C ATOM 214 CG LYS A 13 2.043 -3.875 3.175 1.00 0.00 C ATOM 215 CD LYS A 13 3.522 -3.513 3.139 1.00 0.00 C ATOM 216 CE LYS A 13 4.396 -4.725 2.853 1.00 0.00 C ATOM 217 NZ LYS A 13 5.734 -4.334 2.329 1.00 0.00 N ATOM 0 H LYS A 13 0.611 -5.936 6.153 1.00 0.00 H new ATOM 0 HA LYS A 13 2.954 -5.837 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.530 -4.505 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.629 -3.302 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.862 -4.731 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.456 -3.045 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.692 -2.755 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.812 -3.074 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.520 -5.307 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.897 -5.370 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.468 -4.910 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.763 -4.490 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.906 -3.329 2.532 1.00 0.00 H new ATOM 231 N ALA A 14 3.024 -4.573 7.478 1.00 0.00 N ATOM 232 CA ALA A 14 3.925 -4.022 8.483 1.00 0.00 C ATOM 233 C ALA A 14 4.909 -5.083 8.967 1.00 0.00 C ATOM 234 O ALA A 14 5.803 -4.798 9.764 1.00 0.00 O ATOM 235 CB ALA A 14 3.139 -3.447 9.650 1.00 0.00 C ATOM 0 H ALA A 14 2.103 -4.837 7.829 1.00 0.00 H new ATOM 0 HA ALA A 14 4.495 -3.214 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.830 -3.041 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.483 -2.653 9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.539 -4.234 10.108 1.00 0.00 H new ATOM 241 N ASN A 15 4.735 -6.310 8.482 1.00 0.00 N ATOM 242 CA ASN A 15 5.605 -7.418 8.867 1.00 0.00 C ATOM 243 C ASN A 15 6.338 -8.003 7.672 1.00 0.00 C ATOM 244 O ASN A 15 7.253 -8.810 7.837 1.00 0.00 O ATOM 245 CB ASN A 15 4.801 -8.511 9.570 1.00 0.00 C ATOM 246 CG ASN A 15 4.653 -8.255 11.057 1.00 0.00 C ATOM 247 OD1 ASN A 15 5.471 -8.703 11.860 1.00 0.00 O ATOM 248 ND2 ASN A 15 3.605 -7.529 11.432 1.00 0.00 N ATOM 0 H ASN A 15 4.000 -6.562 7.822 1.00 0.00 H new ATOM 0 HA ASN A 15 6.350 -7.020 9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.812 -8.580 9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.290 -9.473 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.454 -7.323 12.420 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.951 -7.177 10.732 1.00 0.00 H new ATOM 255 N ASN A 16 5.947 -7.603 6.473 1.00 0.00 N ATOM 256 CA ASN A 16 6.597 -8.110 5.282 1.00 0.00 C ATOM 257 C ASN A 16 7.975 -7.472 5.109 1.00 0.00 C ATOM 258 O ASN A 16 8.130 -6.266 5.285 1.00 0.00 O ATOM 259 CB ASN A 16 5.732 -7.853 4.045 1.00 0.00 C ATOM 260 CG ASN A 16 5.426 -9.122 3.276 1.00 0.00 C ATOM 261 OD1 ASN A 16 6.133 -10.123 3.399 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.367 -9.085 2.475 1.00 0.00 N ATOM 0 H ASN A 16 5.193 -6.938 6.302 1.00 0.00 H new ATOM 0 HA ASN A 16 6.726 -9.186 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.797 -7.383 4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.243 -7.149 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.111 -9.908 1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.810 -8.233 2.405 1.00 0.00 H new ATOM 269 N PRO A 17 9.000 -8.277 4.766 1.00 0.00 N ATOM 270 CA PRO A 17 10.368 -7.778 4.582 1.00 0.00 C ATOM 271 C PRO A 17 10.433 -6.563 3.672 1.00 0.00 C ATOM 272 O PRO A 17 11.350 -5.748 3.770 1.00 0.00 O ATOM 273 CB PRO A 17 11.097 -8.964 3.951 1.00 0.00 C ATOM 274 CG PRO A 17 10.346 -10.161 4.420 1.00 0.00 C ATOM 275 CD PRO A 17 8.909 -9.733 4.540 1.00 0.00 C ATOM 0 HA PRO A 17 10.805 -7.442 5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.096 -8.897 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.140 -9.002 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.449 -10.986 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.730 -10.511 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.345 -9.964 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.408 -10.237 5.367 1.00 0.00 H new ATOM 283 N HIS A 18 9.455 -6.445 2.794 1.00 0.00 N ATOM 284 CA HIS A 18 9.392 -5.328 1.869 1.00 0.00 C ATOM 285 C HIS A 18 8.986 -4.045 2.591 1.00 0.00 C ATOM 286 O HIS A 18 9.242 -2.943 2.106 1.00 0.00 O ATOM 287 CB HIS A 18 8.402 -5.654 0.760 1.00 0.00 C ATOM 288 CG HIS A 18 8.959 -5.467 -0.617 1.00 0.00 C ATOM 289 ND1 HIS A 18 8.779 -6.382 -1.633 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.696 -4.461 -1.145 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.382 -5.947 -2.725 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.944 -4.784 -2.456 1.00 0.00 N ATOM 0 H HIS A 18 8.689 -7.112 2.701 1.00 0.00 H new ATOM 0 HA HIS A 18 10.380 -5.166 1.438 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.072 -6.687 0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.521 -5.023 0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.027 -3.571 -0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.410 -6.457 -3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.477 -4.217 -3.115 1.00 0.00 H new ATOM 301 N PHE A 19 8.357 -4.195 3.755 1.00 0.00 N ATOM 302 CA PHE A 19 7.925 -3.046 4.543 1.00 0.00 C ATOM 303 C PHE A 19 9.092 -2.096 4.789 1.00 0.00 C ATOM 304 O PHE A 19 8.916 -0.888 4.910 1.00 0.00 O ATOM 305 CB PHE A 19 7.311 -3.513 5.872 1.00 0.00 C ATOM 306 CG PHE A 19 8.290 -3.629 7.012 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.438 -4.397 6.890 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.055 -2.968 8.209 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.332 -4.502 7.938 1.00 0.00 C ATOM 310 CE2 PHE A 19 8.947 -3.071 9.260 1.00 0.00 C ATOM 311 CZ PHE A 19 10.087 -3.839 9.124 1.00 0.00 C ATOM 0 H PHE A 19 8.136 -5.100 4.171 1.00 0.00 H new ATOM 0 HA PHE A 19 7.162 -2.506 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.523 -2.816 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.838 -4.483 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.635 -4.919 5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.165 -2.366 8.321 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.223 -5.103 7.830 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.753 -2.551 10.187 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.785 -3.921 9.944 1.00 0.00 H new ATOM 321 N ASP A 20 10.290 -2.646 4.849 1.00 0.00 N ATOM 322 CA ASP A 20 11.481 -1.840 5.068 1.00 0.00 C ATOM 323 C ASP A 20 11.486 -0.625 4.150 1.00 0.00 C ATOM 324 O ASP A 20 11.670 0.504 4.595 1.00 0.00 O ATOM 325 CB ASP A 20 12.732 -2.671 4.817 1.00 0.00 C ATOM 326 CG ASP A 20 13.175 -3.443 6.045 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.023 -2.913 7.166 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.674 -4.576 5.885 1.00 0.00 O ATOM 0 H ASP A 20 10.467 -3.646 4.750 1.00 0.00 H new ATOM 0 HA ASP A 20 11.474 -1.499 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.542 -3.370 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.540 -2.015 4.493 1.00 0.00 H new ATOM 333 N LYS A 21 11.287 -0.876 2.866 1.00 0.00 N ATOM 334 CA LYS A 21 11.266 0.186 1.870 1.00 0.00 C ATOM 335 C LYS A 21 9.856 0.729 1.661 1.00 0.00 C ATOM 336 O LYS A 21 9.633 1.939 1.702 1.00 0.00 O ATOM 337 CB LYS A 21 11.834 -0.328 0.545 1.00 0.00 C ATOM 338 CG LYS A 21 13.265 0.111 0.285 1.00 0.00 C ATOM 339 CD LYS A 21 14.263 -0.789 0.997 1.00 0.00 C ATOM 340 CE LYS A 21 15.636 -0.724 0.347 1.00 0.00 C ATOM 341 NZ LYS A 21 16.725 -0.616 1.357 1.00 0.00 N ATOM 0 H LYS A 21 11.137 -1.811 2.486 1.00 0.00 H new ATOM 0 HA LYS A 21 11.887 1.003 2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.790 -1.417 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.202 0.021 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.462 0.097 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.398 1.140 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.340 -0.492 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.901 -1.817 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.792 -1.615 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.679 0.133 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.645 -0.574 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.591 0.248 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.701 -1.446 1.984 1.00 0.00 H new ATOM 355 N ILE A 22 8.916 -0.173 1.419 1.00 0.00 N ATOM 356 CA ILE A 22 7.528 0.210 1.181 1.00 0.00 C ATOM 357 C ILE A 22 6.907 0.889 2.395 1.00 0.00 C ATOM 358 O ILE A 22 6.075 1.784 2.253 1.00 0.00 O ATOM 359 CB ILE A 22 6.656 -1.003 0.805 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.364 -1.877 -0.234 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.305 -0.534 0.283 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.498 -2.994 -0.775 1.00 0.00 C ATOM 0 H ILE A 22 9.088 -1.178 1.382 1.00 0.00 H new ATOM 0 HA ILE A 22 7.554 0.913 0.348 1.00 0.00 H new ATOM 0 HB ILE A 22 6.494 -1.606 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.692 -1.249 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.260 -2.307 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.696 -1.399 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.798 0.045 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.452 0.088 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.064 -3.572 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.191 -3.645 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.615 -2.571 -1.253 1.00 0.00 H new ATOM 374 N PHE A 23 7.304 0.459 3.585 1.00 0.00 N ATOM 375 CA PHE A 23 6.760 1.038 4.808 1.00 0.00 C ATOM 376 C PHE A 23 7.553 2.265 5.237 1.00 0.00 C ATOM 377 O PHE A 23 6.985 3.220 5.762 1.00 0.00 O ATOM 378 CB PHE A 23 6.722 0.002 5.936 1.00 0.00 C ATOM 379 CG PHE A 23 5.361 -0.174 6.538 1.00 0.00 C ATOM 380 CD1 PHE A 23 4.860 0.752 7.439 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.582 -1.267 6.200 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.605 0.590 7.992 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.325 -1.434 6.749 1.00 0.00 C ATOM 384 CZ PHE A 23 2.836 -0.505 7.647 1.00 0.00 C ATOM 0 H PHE A 23 7.992 -0.280 3.730 1.00 0.00 H new ATOM 0 HA PHE A 23 5.738 1.352 4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.067 -0.957 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.421 0.301 6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.457 1.609 7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.961 -1.997 5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.225 1.318 8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.725 -2.290 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.854 -0.634 8.079 1.00 0.00 H new ATOM 394 N GLU A 24 8.863 2.249 5.005 1.00 0.00 N ATOM 395 CA GLU A 24 9.697 3.388 5.372 1.00 0.00 C ATOM 396 C GLU A 24 9.354 4.590 4.507 1.00 0.00 C ATOM 397 O GLU A 24 9.205 5.706 5.005 1.00 0.00 O ATOM 398 CB GLU A 24 11.178 3.043 5.233 1.00 0.00 C ATOM 399 CG GLU A 24 12.111 4.200 5.558 1.00 0.00 C ATOM 400 CD GLU A 24 12.745 4.068 6.929 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.192 2.954 7.272 1.00 0.00 O ATOM 402 OE2 GLU A 24 12.795 5.081 7.659 1.00 0.00 O ATOM 0 H GLU A 24 9.363 1.473 4.572 1.00 0.00 H new ATOM 0 HA GLU A 24 9.500 3.635 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.410 2.206 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.370 2.709 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.895 4.253 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.555 5.136 5.507 1.00 0.00 H new ATOM 409 N LYS A 25 9.215 4.351 3.209 1.00 0.00 N ATOM 410 CA LYS A 25 8.870 5.412 2.275 1.00 0.00 C ATOM 411 C LYS A 25 7.446 5.887 2.530 1.00 0.00 C ATOM 412 O LYS A 25 7.125 7.060 2.342 1.00 0.00 O ATOM 413 CB LYS A 25 9.015 4.926 0.832 1.00 0.00 C ATOM 414 CG LYS A 25 10.364 5.253 0.213 1.00 0.00 C ATOM 415 CD LYS A 25 11.487 4.472 0.877 1.00 0.00 C ATOM 416 CE LYS A 25 12.484 3.950 -0.146 1.00 0.00 C ATOM 417 NZ LYS A 25 13.603 4.906 -0.369 1.00 0.00 N ATOM 0 H LYS A 25 9.336 3.433 2.781 1.00 0.00 H new ATOM 0 HA LYS A 25 9.555 6.246 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.864 3.847 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.228 5.374 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.341 5.024 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.558 6.321 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.001 5.111 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.068 3.636 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.885 2.995 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.972 3.764 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.260 4.513 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.223 5.810 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.108 5.064 0.526 1.00 0.00 H new ATOM 431 N HIS A 26 6.598 4.963 2.973 1.00 0.00 N ATOM 432 CA HIS A 26 5.211 5.283 3.271 1.00 0.00 C ATOM 433 C HIS A 26 5.119 6.051 4.582 1.00 0.00 C ATOM 434 O HIS A 26 4.479 7.100 4.657 1.00 0.00 O ATOM 435 CB HIS A 26 4.372 4.006 3.350 1.00 0.00 C ATOM 436 CG HIS A 26 2.905 4.266 3.511 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.255 5.319 2.903 1.00 0.00 N ATOM 438 CD2 HIS A 26 1.961 3.600 4.216 1.00 0.00 C ATOM 439 CE1 HIS A 26 0.976 5.291 3.229 1.00 0.00 C ATOM 440 NE2 HIS A 26 0.771 4.258 4.024 1.00 0.00 N ATOM 0 H HIS A 26 6.850 3.988 3.133 1.00 0.00 H new ATOM 0 HA HIS A 26 4.820 5.907 2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.532 3.419 2.446 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.721 3.403 4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.115 2.716 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.225 5.994 2.901 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.126 3.991 4.430 1.00 0.00 H new ATOM 449 N ASN A 27 5.772 5.526 5.610 1.00 0.00 N ATOM 450 CA ASN A 27 5.772 6.172 6.921 1.00 0.00 C ATOM 451 C ASN A 27 6.551 7.484 6.878 1.00 0.00 C ATOM 452 O ASN A 27 6.277 8.403 7.648 1.00 0.00 O ATOM 453 CB ASN A 27 6.369 5.245 7.984 1.00 0.00 C ATOM 454 CG ASN A 27 5.306 4.591 8.844 1.00 0.00 C ATOM 455 OD1 ASN A 27 5.320 3.378 9.054 1.00 0.00 O ATOM 456 ND2 ASN A 27 4.375 5.393 9.348 1.00 0.00 N ATOM 0 H ASN A 27 6.307 4.659 5.565 1.00 0.00 H new ATOM 0 HA ASN A 27 4.737 6.388 7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.963 4.473 7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.047 5.815 8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.634 5.009 9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.401 6.393 9.149 1.00 0.00 H new ATOM 463 N GLN A 28 7.517 7.568 5.966 1.00 0.00 N ATOM 464 CA GLN A 28 8.323 8.772 5.821 1.00 0.00 C ATOM 465 C GLN A 28 7.501 9.875 5.170 1.00 0.00 C ATOM 466 O GLN A 28 7.621 11.048 5.523 1.00 0.00 O ATOM 467 CB GLN A 28 9.572 8.485 4.986 1.00 0.00 C ATOM 468 CG GLN A 28 10.500 9.681 4.849 1.00 0.00 C ATOM 469 CD GLN A 28 11.212 10.016 6.146 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.376 9.662 6.338 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.515 10.702 7.045 1.00 0.00 N ATOM 0 H GLN A 28 7.758 6.817 5.319 1.00 0.00 H new ATOM 0 HA GLN A 28 8.637 9.100 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.121 7.660 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.267 8.156 3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.239 9.476 4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.925 10.547 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.553 10.975 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.942 10.956 7.936 1.00 0.00 H new ATOM 480 N LEU A 29 6.650 9.483 4.229 1.00 0.00 N ATOM 481 CA LEU A 29 5.789 10.429 3.539 1.00 0.00 C ATOM 482 C LEU A 29 4.743 10.966 4.500 1.00 0.00 C ATOM 483 O LEU A 29 4.591 12.177 4.659 1.00 0.00 O ATOM 484 CB LEU A 29 5.112 9.764 2.340 1.00 0.00 C ATOM 485 CG LEU A 29 4.369 10.721 1.408 1.00 0.00 C ATOM 486 CD1 LEU A 29 5.307 11.258 0.339 1.00 0.00 C ATOM 487 CD2 LEU A 29 3.174 10.024 0.774 1.00 0.00 C ATOM 0 H LEU A 29 6.540 8.515 3.928 1.00 0.00 H new ATOM 0 HA LEU A 29 6.398 11.256 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.869 9.232 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.408 9.017 2.707 1.00 0.00 H new ATOM 0 HG LEU A 29 4.003 11.563 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.761 11.938 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.130 11.793 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.703 10.429 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.656 10.719 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.517 9.164 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.492 9.689 1.555 1.00 0.00 H new ATOM 499 N ASP A 30 4.042 10.052 5.159 1.00 0.00 N ATOM 500 CA ASP A 30 3.024 10.428 6.130 1.00 0.00 C ATOM 501 C ASP A 30 3.656 11.208 7.280 1.00 0.00 C ATOM 502 O ASP A 30 2.967 11.905 8.022 1.00 0.00 O ATOM 503 CB ASP A 30 2.305 9.187 6.663 1.00 0.00 C ATOM 504 CG ASP A 30 1.200 9.532 7.641 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.508 9.758 8.830 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.025 9.578 7.217 1.00 0.00 O ATOM 0 H ASP A 30 4.160 9.046 5.039 1.00 0.00 H new ATOM 0 HA ASP A 30 2.291 11.064 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.885 8.628 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.028 8.534 7.152 1.00 0.00 H new ATOM 511 N ASP A 31 4.976 11.099 7.414 1.00 0.00 N ATOM 512 CA ASP A 31 5.690 11.820 8.457 1.00 0.00 C ATOM 513 C ASP A 31 6.050 13.212 7.957 1.00 0.00 C ATOM 514 O ASP A 31 6.119 14.166 8.732 1.00 0.00 O ATOM 515 CB ASP A 31 6.951 11.061 8.874 1.00 0.00 C ATOM 516 CG ASP A 31 7.634 11.690 10.073 1.00 0.00 C ATOM 517 OD1 ASP A 31 8.141 12.825 9.941 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.662 11.049 11.145 1.00 0.00 O ATOM 0 H ASP A 31 5.567 10.521 6.816 1.00 0.00 H new ATOM 0 HA ASP A 31 5.045 11.907 9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.690 10.029 9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.648 11.031 8.036 1.00 0.00 H new ATOM 523 N ASP A 32 6.252 13.323 6.647 1.00 0.00 N ATOM 524 CA ASP A 32 6.575 14.599 6.028 1.00 0.00 C ATOM 525 C ASP A 32 5.297 15.404 5.822 1.00 0.00 C ATOM 526 O ASP A 32 5.300 16.632 5.914 1.00 0.00 O ATOM 527 CB ASP A 32 7.283 14.384 4.689 1.00 0.00 C ATOM 528 CG ASP A 32 8.780 14.198 4.851 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.202 13.678 5.906 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.528 14.571 3.924 1.00 0.00 O ATOM 0 H ASP A 32 6.197 12.541 5.995 1.00 0.00 H new ATOM 0 HA ASP A 32 7.247 15.150 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.862 13.508 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.094 15.239 4.039 1.00 0.00 H new ATOM 535 N ILE A 33 4.201 14.695 5.559 1.00 0.00 N ATOM 536 CA ILE A 33 2.911 15.325 5.358 1.00 0.00 C ATOM 537 C ILE A 33 2.483 16.055 6.626 1.00 0.00 C ATOM 538 O ILE A 33 1.880 17.127 6.564 1.00 0.00 O ATOM 539 CB ILE A 33 1.838 14.284 4.965 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.430 13.445 6.176 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.345 13.394 3.838 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.289 14.044 6.969 1.00 0.00 C ATOM 0 H ILE A 33 4.188 13.678 5.481 1.00 0.00 H new ATOM 0 HA ILE A 33 3.008 16.042 4.542 1.00 0.00 H new ATOM 0 HB ILE A 33 0.956 14.817 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.144 12.449 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.293 13.323 6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.577 12.667 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.579 14.007 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.243 12.870 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.053 13.396 7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.579 15.028 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.588 14.140 6.329 1.00 0.00 H new ATOM 554 N LYS A 34 2.821 15.476 7.776 1.00 0.00 N ATOM 555 CA LYS A 34 2.491 16.085 9.055 1.00 0.00 C ATOM 556 C LYS A 34 3.486 17.194 9.359 1.00 0.00 C ATOM 557 O LYS A 34 3.122 18.252 9.871 1.00 0.00 O ATOM 558 CB LYS A 34 2.500 15.045 10.174 1.00 0.00 C ATOM 559 CG LYS A 34 3.800 14.265 10.275 1.00 0.00 C ATOM 560 CD LYS A 34 3.902 13.522 11.598 1.00 0.00 C ATOM 561 CE LYS A 34 4.770 14.275 12.594 1.00 0.00 C ATOM 562 NZ LYS A 34 6.158 13.736 12.643 1.00 0.00 N ATOM 0 H LYS A 34 3.321 14.590 7.845 1.00 0.00 H new ATOM 0 HA LYS A 34 1.487 16.504 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.313 15.545 11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.679 14.346 10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.864 13.554 9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.644 14.947 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.905 13.382 12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.319 12.529 11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.800 15.330 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.322 14.213 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.716 14.277 13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.132 12.736 12.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.596 13.819 11.703 1.00 0.00 H new ATOM 576 N THR A 35 4.747 16.947 9.011 1.00 0.00 N ATOM 577 CA THR A 35 5.796 17.932 9.219 1.00 0.00 C ATOM 578 C THR A 35 5.535 19.147 8.340 1.00 0.00 C ATOM 579 O THR A 35 5.902 20.271 8.686 1.00 0.00 O ATOM 580 CB THR A 35 7.165 17.333 8.897 1.00 0.00 C ATOM 581 OG1 THR A 35 7.409 16.187 9.693 1.00 0.00 O ATOM 582 CG2 THR A 35 8.308 18.299 9.118 1.00 0.00 C ATOM 0 H THR A 35 5.063 16.075 8.585 1.00 0.00 H new ATOM 0 HA THR A 35 5.793 18.237 10.266 1.00 0.00 H new ATOM 0 HB THR A 35 7.128 17.078 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.728 15.507 9.505 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.250 17.810 8.871 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.174 19.173 8.480 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.324 18.611 10.162 1.00 0.00 H new ATOM 590 N ALA A 36 4.883 18.912 7.203 1.00 0.00 N ATOM 591 CA ALA A 36 4.551 19.983 6.275 1.00 0.00 C ATOM 592 C ALA A 36 3.240 20.651 6.672 1.00 0.00 C ATOM 593 O ALA A 36 3.007 21.819 6.362 1.00 0.00 O ATOM 594 CB ALA A 36 4.465 19.445 4.854 1.00 0.00 C ATOM 0 H ALA A 36 4.575 17.986 6.905 1.00 0.00 H new ATOM 0 HA ALA A 36 5.343 20.731 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.216 20.258 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.425 19.014 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.693 18.678 4.802 1.00 0.00 H new ATOM 600 N GLU A 37 2.386 19.902 7.369 1.00 0.00 N ATOM 601 CA GLU A 37 1.101 20.423 7.816 1.00 0.00 C ATOM 602 C GLU A 37 1.263 21.242 9.093 1.00 0.00 C ATOM 603 O GLU A 37 0.415 22.073 9.420 1.00 0.00 O ATOM 604 CB GLU A 37 0.118 19.274 8.056 1.00 0.00 C ATOM 605 CG GLU A 37 -0.687 18.895 6.823 1.00 0.00 C ATOM 606 CD GLU A 37 -1.713 17.814 7.107 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.501 17.981 8.061 1.00 0.00 O ATOM 608 OE2 GLU A 37 -1.726 16.802 6.377 1.00 0.00 O ATOM 0 H GLU A 37 2.564 18.933 7.635 1.00 0.00 H new ATOM 0 HA GLU A 37 0.707 21.073 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.670 18.400 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.568 19.554 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.194 19.780 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.009 18.551 6.042 1.00 0.00 H new ATOM 615 N GLN A 38 2.354 21.000 9.814 1.00 0.00 N ATOM 616 CA GLN A 38 2.625 21.714 11.056 1.00 0.00 C ATOM 617 C GLN A 38 2.654 23.222 10.827 1.00 0.00 C ATOM 618 O GLN A 38 2.128 23.990 11.633 1.00 0.00 O ATOM 619 CB GLN A 38 3.957 21.250 11.652 1.00 0.00 C ATOM 620 CG GLN A 38 3.797 20.339 12.860 1.00 0.00 C ATOM 621 CD GLN A 38 3.159 19.009 12.508 1.00 0.00 C ATOM 622 OE1 GLN A 38 1.942 18.915 12.346 1.00 0.00 O ATOM 623 NE2 GLN A 38 3.981 17.973 12.387 1.00 0.00 N ATOM 0 H GLN A 38 3.065 20.314 9.559 1.00 0.00 H new ATOM 0 HA GLN A 38 1.821 21.490 11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.526 20.726 10.884 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.541 22.124 11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.775 20.161 13.308 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.188 20.842 13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.983 18.098 12.530 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.610 17.053 12.151 1.00 0.00 H new ATOM 632 N GLN A 39 3.272 23.643 9.727 1.00 0.00 N ATOM 633 CA GLN A 39 3.365 25.062 9.403 1.00 0.00 C ATOM 634 C GLN A 39 2.687 25.371 8.073 1.00 0.00 C ATOM 635 O GLN A 39 2.264 26.501 7.832 1.00 0.00 O ATOM 636 CB GLN A 39 4.833 25.497 9.353 1.00 0.00 C ATOM 637 CG GLN A 39 5.578 25.007 8.120 1.00 0.00 C ATOM 638 CD GLN A 39 6.329 23.713 8.368 1.00 0.00 C ATOM 639 OE1 GLN A 39 7.047 23.580 9.360 1.00 0.00 O ATOM 640 NE2 GLN A 39 6.167 22.752 7.467 1.00 0.00 N ATOM 0 H GLN A 39 3.714 23.024 9.048 1.00 0.00 H new ATOM 0 HA GLN A 39 2.850 25.619 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.881 26.585 9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.342 25.128 10.244 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.868 24.861 7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.281 25.774 7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.562 22.906 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.647 21.859 7.581 1.00 0.00 H new ATOM 649 N ASN A 40 2.602 24.364 7.205 1.00 0.00 N ATOM 650 CA ASN A 40 1.989 24.538 5.896 1.00 0.00 C ATOM 651 C ASN A 40 2.807 25.509 5.056 1.00 0.00 C ATOM 652 O ASN A 40 2.276 26.472 4.503 1.00 0.00 O ATOM 653 CB ASN A 40 0.555 25.046 6.043 1.00 0.00 C ATOM 654 CG ASN A 40 -0.451 23.917 6.130 1.00 0.00 C ATOM 655 OD1 ASN A 40 -0.371 23.136 7.201 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.292 23.749 5.247 1.00 0.00 N flip ATOM 0 H ASN A 40 2.950 23.423 7.387 1.00 0.00 H new ATOM 0 HA ASN A 40 1.966 23.572 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.481 25.664 6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.309 25.683 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.317 24.374 4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.964 22.985 5.321 1.00 0.00 H new ATOM 663 N ALA A 41 4.109 25.245 4.967 1.00 0.00 N ATOM 664 CA ALA A 41 5.019 26.089 4.195 1.00 0.00 C ATOM 665 C ALA A 41 4.406 26.490 2.855 1.00 0.00 C ATOM 666 O ALA A 41 4.691 27.563 2.327 1.00 0.00 O ATOM 667 CB ALA A 41 6.343 25.373 3.979 1.00 0.00 C ATOM 0 H ALA A 41 4.559 24.450 5.422 1.00 0.00 H new ATOM 0 HA ALA A 41 5.197 27.001 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.012 26.012 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.797 25.149 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.170 24.444 3.435 1.00 0.00 H new ATOM 673 N SER A 42 3.559 25.619 2.317 1.00 0.00 N ATOM 674 CA SER A 42 2.900 25.881 1.043 1.00 0.00 C ATOM 675 C SER A 42 1.757 24.896 0.813 1.00 0.00 C ATOM 676 O SER A 42 1.967 23.685 0.764 1.00 0.00 O ATOM 677 CB SER A 42 3.906 25.797 -0.109 1.00 0.00 C ATOM 678 OG SER A 42 5.182 25.386 0.352 1.00 0.00 O ATOM 0 H SER A 42 3.313 24.726 2.743 1.00 0.00 H new ATOM 0 HA SER A 42 2.488 26.889 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.545 25.095 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.988 26.769 -0.595 1.00 0.00 H new ATOM 0 HG SER A 42 5.804 25.339 -0.404 1.00 0.00 H new ATOM 684 N ASP A 43 0.544 25.427 0.670 1.00 0.00 N ATOM 685 CA ASP A 43 -0.637 24.601 0.441 1.00 0.00 C ATOM 686 C ASP A 43 -0.373 23.585 -0.660 1.00 0.00 C ATOM 687 O ASP A 43 -0.618 22.390 -0.492 1.00 0.00 O ATOM 688 CB ASP A 43 -1.837 25.477 0.071 1.00 0.00 C ATOM 689 CG ASP A 43 -3.099 25.070 0.806 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.182 25.321 2.026 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.004 24.501 0.160 1.00 0.00 O ATOM 0 H ASP A 43 0.354 26.428 0.709 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.864 24.065 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.607 26.518 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.010 25.416 -1.003 1.00 0.00 H new ATOM 696 N ALA A 44 0.148 24.068 -1.779 1.00 0.00 N ATOM 697 CA ALA A 44 0.471 23.203 -2.903 1.00 0.00 C ATOM 698 C ALA A 44 1.512 22.171 -2.486 1.00 0.00 C ATOM 699 O ALA A 44 1.545 21.058 -3.007 1.00 0.00 O ATOM 700 CB ALA A 44 0.973 24.025 -4.080 1.00 0.00 C ATOM 0 H ALA A 44 0.356 25.055 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.433 22.680 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.210 23.362 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.201 24.731 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.868 24.572 -3.786 1.00 0.00 H new ATOM 706 N GLU A 45 2.355 22.554 -1.530 1.00 0.00 N ATOM 707 CA GLU A 45 3.394 21.669 -1.023 1.00 0.00 C ATOM 708 C GLU A 45 2.793 20.614 -0.107 1.00 0.00 C ATOM 709 O GLU A 45 3.152 19.439 -0.174 1.00 0.00 O ATOM 710 CB GLU A 45 4.453 22.472 -0.265 1.00 0.00 C ATOM 711 CG GLU A 45 5.788 21.756 -0.143 1.00 0.00 C ATOM 712 CD GLU A 45 6.490 22.048 1.169 1.00 0.00 C ATOM 713 OE1 GLU A 45 5.794 22.365 2.157 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.735 21.960 1.209 1.00 0.00 O ATOM 0 H GLU A 45 2.336 23.475 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 45 3.865 21.172 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.606 23.425 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.079 22.699 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.629 20.681 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.433 22.054 -0.970 1.00 0.00 H new ATOM 721 N VAL A 46 1.871 21.043 0.746 1.00 0.00 N ATOM 722 CA VAL A 46 1.216 20.132 1.676 1.00 0.00 C ATOM 723 C VAL A 46 0.164 19.290 0.965 1.00 0.00 C ATOM 724 O VAL A 46 -0.169 18.191 1.408 1.00 0.00 O ATOM 725 CB VAL A 46 0.553 20.887 2.843 1.00 0.00 C ATOM 726 CG1 VAL A 46 0.177 19.920 3.956 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.471 21.986 3.366 1.00 0.00 C ATOM 0 H VAL A 46 1.561 22.012 0.813 1.00 0.00 H new ATOM 0 HA VAL A 46 1.993 19.481 2.077 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.359 21.357 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.290 20.470 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.522 19.177 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.074 19.420 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.983 22.506 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.404 21.544 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.684 22.694 2.565 1.00 0.00 H new ATOM 737 N SER A 47 -0.356 19.809 -0.144 1.00 0.00 N ATOM 738 CA SER A 47 -1.368 19.098 -0.916 1.00 0.00 C ATOM 739 C SER A 47 -0.726 18.113 -1.881 1.00 0.00 C ATOM 740 O SER A 47 -1.354 17.141 -2.301 1.00 0.00 O ATOM 741 CB SER A 47 -2.251 20.086 -1.680 1.00 0.00 C ATOM 742 OG SER A 47 -3.560 19.573 -1.853 1.00 0.00 O ATOM 0 H SER A 47 -0.093 20.717 -0.527 1.00 0.00 H new ATOM 0 HA SER A 47 -1.990 18.537 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.296 21.031 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.808 20.297 -2.653 1.00 0.00 H new ATOM 0 HG SER A 47 -4.105 20.224 -2.343 1.00 0.00 H new ATOM 748 N HIS A 48 0.528 18.364 -2.224 1.00 0.00 N ATOM 749 CA HIS A 48 1.254 17.495 -3.132 1.00 0.00 C ATOM 750 C HIS A 48 1.791 16.275 -2.393 1.00 0.00 C ATOM 751 O HIS A 48 1.972 15.209 -2.981 1.00 0.00 O ATOM 752 CB HIS A 48 2.399 18.267 -3.776 1.00 0.00 C ATOM 753 CG HIS A 48 3.009 17.571 -4.952 1.00 0.00 C ATOM 754 ND1 HIS A 48 2.740 16.365 -5.507 1.00 0.00 N flip ATOM 755 CD2 HIS A 48 4.028 18.117 -5.705 1.00 0.00 C flip ATOM 756 CE1 HIS A 48 3.592 16.207 -6.572 1.00 0.00 C flip ATOM 757 NE2 HIS A 48 4.358 17.279 -6.671 1.00 0.00 N flip ATOM 0 H HIS A 48 1.063 19.164 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 48 0.572 17.150 -3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.034 19.244 -4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.172 18.443 -3.028 1.00 0.00 H new ATOM 0 HD1 HIS A 48 2.035 15.698 -5.192 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.485 19.080 -5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.630 15.346 -7.223 1.00 0.00 H new ATOM 766 N MET A 49 2.039 16.438 -1.096 1.00 0.00 N ATOM 767 CA MET A 49 2.549 15.347 -0.276 1.00 0.00 C ATOM 768 C MET A 49 1.482 14.282 -0.073 1.00 0.00 C ATOM 769 O MET A 49 1.781 13.088 -0.049 1.00 0.00 O ATOM 770 CB MET A 49 3.029 15.876 1.077 1.00 0.00 C ATOM 771 CG MET A 49 4.156 16.891 0.969 1.00 0.00 C ATOM 772 SD MET A 49 5.787 16.132 1.082 1.00 0.00 S ATOM 773 CE MET A 49 6.834 17.511 0.622 1.00 0.00 C ATOM 0 H MET A 49 1.895 17.313 -0.593 1.00 0.00 H new ATOM 0 HA MET A 49 3.393 14.896 -0.797 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.188 16.334 1.598 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.364 15.037 1.687 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.072 17.422 0.021 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.049 17.633 1.761 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.878 17.199 0.645 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.577 17.844 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.685 18.331 1.325 1.00 0.00 H new ATOM 783 N LYS A 50 0.234 14.716 0.066 1.00 0.00 N ATOM 784 CA LYS A 50 -0.866 13.783 0.255 1.00 0.00 C ATOM 785 C LYS A 50 -1.102 12.982 -1.013 1.00 0.00 C ATOM 786 O LYS A 50 -1.404 11.791 -0.957 1.00 0.00 O ATOM 787 CB LYS A 50 -2.145 14.512 0.641 1.00 0.00 C ATOM 788 CG LYS A 50 -1.967 15.508 1.775 1.00 0.00 C ATOM 789 CD LYS A 50 -3.226 16.330 1.999 1.00 0.00 C ATOM 790 CE LYS A 50 -3.992 15.857 3.224 1.00 0.00 C ATOM 791 NZ LYS A 50 -5.241 16.638 3.435 1.00 0.00 N ATOM 0 H LYS A 50 -0.038 15.699 0.051 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.593 13.108 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.531 15.037 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.897 13.778 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.711 14.976 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.133 16.173 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.959 17.380 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.867 16.262 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.239 14.801 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.356 15.944 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.733 16.284 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.004 17.642 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.859 16.535 2.605 1.00 0.00 H new ATOM 805 N LYS A 51 -0.946 13.635 -2.161 1.00 0.00 N ATOM 806 CA LYS A 51 -1.124 12.960 -3.438 1.00 0.00 C ATOM 807 C LYS A 51 -0.211 11.743 -3.502 1.00 0.00 C ATOM 808 O LYS A 51 -0.533 10.740 -4.138 1.00 0.00 O ATOM 809 CB LYS A 51 -0.828 13.913 -4.599 1.00 0.00 C ATOM 810 CG LYS A 51 -1.995 14.083 -5.559 1.00 0.00 C ATOM 811 CD LYS A 51 -1.768 15.246 -6.512 1.00 0.00 C ATOM 812 CE LYS A 51 -3.046 16.039 -6.735 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.885 15.449 -7.814 1.00 0.00 N ATOM 0 H LYS A 51 -0.699 14.622 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.161 12.635 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.554 14.888 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.035 13.542 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.134 13.165 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.912 14.249 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.996 15.902 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.400 14.870 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.618 16.073 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.794 17.068 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.747 16.019 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.349 15.439 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.147 14.476 -7.557 1.00 0.00 H new ATOM 827 N GLN A 52 0.921 11.838 -2.811 1.00 0.00 N ATOM 828 CA GLN A 52 1.874 10.744 -2.757 1.00 0.00 C ATOM 829 C GLN A 52 1.444 9.719 -1.709 1.00 0.00 C ATOM 830 O GLN A 52 1.914 8.584 -1.713 1.00 0.00 O ATOM 831 CB GLN A 52 3.274 11.269 -2.436 1.00 0.00 C ATOM 832 CG GLN A 52 3.947 11.963 -3.609 1.00 0.00 C ATOM 833 CD GLN A 52 5.413 11.601 -3.738 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.107 11.407 -2.740 1.00 0.00 O ATOM 835 NE2 GLN A 52 5.893 11.505 -4.972 1.00 0.00 N ATOM 0 H GLN A 52 1.197 12.665 -2.281 1.00 0.00 H new ATOM 0 HA GLN A 52 1.899 10.260 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.209 11.966 -1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.899 10.438 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.428 11.697 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.852 13.042 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.282 11.674 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.872 11.262 -5.121 1.00 0.00 H new ATOM 844 N LYS A 53 0.538 10.126 -0.815 1.00 0.00 N ATOM 845 CA LYS A 53 0.040 9.238 0.227 1.00 0.00 C ATOM 846 C LYS A 53 -0.736 8.080 -0.382 1.00 0.00 C ATOM 847 O LYS A 53 -0.355 6.917 -0.248 1.00 0.00 O ATOM 848 CB LYS A 53 -0.867 10.010 1.181 1.00 0.00 C ATOM 849 CG LYS A 53 -0.850 9.478 2.605 1.00 0.00 C ATOM 850 CD LYS A 53 -1.997 10.047 3.424 1.00 0.00 C ATOM 851 CE LYS A 53 -1.859 9.696 4.897 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.012 10.191 5.698 1.00 0.00 N ATOM 0 H LYS A 53 0.138 11.064 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 53 0.894 8.841 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.563 11.057 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.889 9.978 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.917 8.390 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.098 9.732 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.025 11.130 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.943 9.661 3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.779 8.614 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.936 10.125 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.879 9.931 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.073 11.226 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.891 9.763 5.343 1.00 0.00 H new ATOM 866 N LEU A 54 -1.824 8.417 -1.062 1.00 0.00 N ATOM 867 CA LEU A 54 -2.664 7.422 -1.713 1.00 0.00 C ATOM 868 C LEU A 54 -1.842 6.615 -2.707 1.00 0.00 C ATOM 869 O LEU A 54 -2.179 5.476 -3.032 1.00 0.00 O ATOM 870 CB LEU A 54 -3.837 8.097 -2.426 1.00 0.00 C ATOM 871 CG LEU A 54 -4.847 7.137 -3.062 1.00 0.00 C ATOM 872 CD1 LEU A 54 -6.083 7.003 -2.185 1.00 0.00 C ATOM 873 CD2 LEU A 54 -5.231 7.612 -4.456 1.00 0.00 C ATOM 0 H LEU A 54 -2.146 9.378 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.061 6.749 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.361 8.731 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.442 8.752 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.380 6.156 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.789 6.317 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.795 6.616 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.552 7.980 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.949 6.918 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.678 8.604 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.341 7.655 -5.084 1.00 0.00 H new ATOM 885 N LYS A 55 -0.749 7.212 -3.171 1.00 0.00 N ATOM 886 CA LYS A 55 0.136 6.545 -4.111 1.00 0.00 C ATOM 887 C LYS A 55 1.058 5.611 -3.355 1.00 0.00 C ATOM 888 O LYS A 55 1.207 4.442 -3.711 1.00 0.00 O ATOM 889 CB LYS A 55 0.944 7.564 -4.918 1.00 0.00 C ATOM 890 CG LYS A 55 1.007 7.250 -6.404 1.00 0.00 C ATOM 891 CD LYS A 55 2.193 7.933 -7.067 1.00 0.00 C ATOM 892 CE LYS A 55 2.799 7.063 -8.156 1.00 0.00 C ATOM 893 NZ LYS A 55 1.821 6.770 -9.241 1.00 0.00 N ATOM 0 H LYS A 55 -0.458 8.154 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.464 5.967 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.506 8.553 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.958 7.608 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.080 6.172 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.084 7.573 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.874 8.884 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.951 8.159 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.670 7.564 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.149 6.127 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.287 6.217 -9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.025 6.225 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.467 7.663 -9.640 1.00 0.00 H new ATOM 907 N LEU A 56 1.638 6.121 -2.279 1.00 0.00 N ATOM 908 CA LEU A 56 2.500 5.313 -1.442 1.00 0.00 C ATOM 909 C LEU A 56 1.650 4.290 -0.701 1.00 0.00 C ATOM 910 O LEU A 56 2.171 3.341 -0.116 1.00 0.00 O ATOM 911 CB LEU A 56 3.276 6.186 -0.453 1.00 0.00 C ATOM 912 CG LEU A 56 4.683 6.579 -0.910 1.00 0.00 C ATOM 913 CD1 LEU A 56 4.634 7.250 -2.276 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.339 7.492 0.115 1.00 0.00 C ATOM 0 H LEU A 56 1.526 7.086 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 56 3.229 4.798 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.703 7.094 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.353 5.655 0.496 1.00 0.00 H new ATOM 0 HG LEU A 56 5.284 5.674 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.644 7.522 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.206 6.562 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.018 8.147 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.339 7.762 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.740 8.395 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.409 6.974 1.072 1.00 0.00 H new ATOM 926 N LYS A 57 0.327 4.475 -0.754 1.00 0.00 N ATOM 927 CA LYS A 57 -0.588 3.546 -0.114 1.00 0.00 C ATOM 928 C LYS A 57 -0.866 2.386 -1.055 1.00 0.00 C ATOM 929 O LYS A 57 -1.104 1.261 -0.622 1.00 0.00 O ATOM 930 CB LYS A 57 -1.900 4.239 0.264 1.00 0.00 C ATOM 931 CG LYS A 57 -2.971 3.282 0.769 1.00 0.00 C ATOM 932 CD LYS A 57 -4.365 3.866 0.602 1.00 0.00 C ATOM 933 CE LYS A 57 -5.371 2.800 0.202 1.00 0.00 C ATOM 934 NZ LYS A 57 -6.448 3.349 -0.669 1.00 0.00 N ATOM 0 H LYS A 57 -0.124 5.255 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.126 3.176 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.699 4.985 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.283 4.773 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.903 2.339 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.793 3.058 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.679 4.332 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.344 4.650 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.857 1.994 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.815 2.366 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.113 2.590 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.956 4.101 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.028 3.740 -1.536 1.00 0.00 H new ATOM 948 N ASP A 58 -0.828 2.673 -2.353 1.00 0.00 N ATOM 949 CA ASP A 58 -1.066 1.657 -3.365 1.00 0.00 C ATOM 950 C ASP A 58 -0.057 0.528 -3.231 1.00 0.00 C ATOM 951 O ASP A 58 -0.390 -0.637 -3.428 1.00 0.00 O ATOM 952 CB ASP A 58 -0.989 2.268 -4.765 1.00 0.00 C ATOM 953 CG ASP A 58 -2.189 3.138 -5.084 1.00 0.00 C ATOM 954 OD1 ASP A 58 -3.304 2.796 -4.639 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.012 4.162 -5.777 1.00 0.00 O ATOM 0 H ASP A 58 -0.634 3.602 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.067 1.252 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.080 2.863 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.916 1.469 -5.503 1.00 0.00 H new ATOM 960 N GLU A 59 1.177 0.879 -2.885 1.00 0.00 N ATOM 961 CA GLU A 59 2.232 -0.115 -2.718 1.00 0.00 C ATOM 962 C GLU A 59 2.003 -0.935 -1.454 1.00 0.00 C ATOM 963 O GLU A 59 2.174 -2.153 -1.451 1.00 0.00 O ATOM 964 CB GLU A 59 3.602 0.560 -2.662 1.00 0.00 C ATOM 965 CG GLU A 59 3.689 1.690 -1.651 1.00 0.00 C ATOM 966 CD GLU A 59 5.105 2.205 -1.471 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.041 1.572 -2.003 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.278 3.243 -0.798 1.00 0.00 O ATOM 0 H GLU A 59 1.471 1.841 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 59 2.206 -0.784 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.356 -0.189 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.845 0.950 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.046 2.510 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.308 1.343 -0.691 1.00 0.00 H new ATOM 975 N ILE A 60 1.603 -0.258 -0.384 1.00 0.00 N ATOM 976 CA ILE A 60 1.335 -0.919 0.885 1.00 0.00 C ATOM 977 C ILE A 60 0.053 -1.730 0.784 1.00 0.00 C ATOM 978 O ILE A 60 -0.035 -2.836 1.308 1.00 0.00 O ATOM 979 CB ILE A 60 1.225 0.106 2.043 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.618 0.594 2.454 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.492 -0.484 3.246 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.458 -0.457 3.153 1.00 0.00 C ATOM 0 H ILE A 60 1.457 0.751 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 60 2.170 -1.584 1.104 1.00 0.00 H new ATOM 0 HB ILE A 60 0.643 0.954 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.149 0.937 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.510 1.456 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.434 0.262 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.515 -0.779 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.033 -1.357 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.429 -0.034 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.951 -0.783 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.599 -1.310 2.490 1.00 0.00 H new ATOM 994 N HIS A 61 -0.932 -1.176 0.087 1.00 0.00 N ATOM 995 CA HIS A 61 -2.207 -1.857 -0.103 1.00 0.00 C ATOM 996 C HIS A 61 -2.044 -2.972 -1.121 1.00 0.00 C ATOM 997 O HIS A 61 -2.602 -4.058 -0.967 1.00 0.00 O ATOM 998 CB HIS A 61 -3.281 -0.869 -0.564 1.00 0.00 C ATOM 999 CG HIS A 61 -4.618 -1.502 -0.797 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.454 -1.138 -1.832 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.265 -2.483 -0.123 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.555 -1.865 -1.783 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.466 -2.689 -0.757 1.00 0.00 N ATOM 0 H HIS A 61 -0.873 -0.259 -0.355 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.524 -2.285 0.848 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.386 -0.084 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.950 -0.389 -1.485 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.904 -3.006 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.388 -1.797 -2.467 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.174 -3.369 -0.479 1.00 0.00 H new ATOM 1012 N SER A 62 -1.261 -2.696 -2.154 1.00 0.00 N ATOM 1013 CA SER A 62 -1.005 -3.683 -3.194 1.00 0.00 C ATOM 1014 C SER A 62 -0.266 -4.881 -2.613 1.00 0.00 C ATOM 1015 O SER A 62 -0.437 -6.009 -3.074 1.00 0.00 O ATOM 1016 CB SER A 62 -0.189 -3.075 -4.336 1.00 0.00 C ATOM 1017 OG SER A 62 0.271 -4.078 -5.225 1.00 0.00 O ATOM 0 H SER A 62 -0.793 -1.800 -2.295 1.00 0.00 H new ATOM 0 HA SER A 62 -1.965 -4.012 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.800 -2.355 -4.880 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.661 -2.528 -3.928 1.00 0.00 H new ATOM 0 HG SER A 62 0.788 -3.663 -5.947 1.00 0.00 H new ATOM 1023 N MET A 63 0.555 -4.634 -1.591 1.00 0.00 N ATOM 1024 CA MET A 63 1.308 -5.709 -0.958 1.00 0.00 C ATOM 1025 C MET A 63 0.365 -6.758 -0.376 1.00 0.00 C ATOM 1026 O MET A 63 0.675 -7.948 -0.366 1.00 0.00 O ATOM 1027 CB MET A 63 2.217 -5.152 0.135 1.00 0.00 C ATOM 1028 CG MET A 63 3.561 -4.667 -0.382 1.00 0.00 C ATOM 1029 SD MET A 63 4.578 -6.002 -1.044 1.00 0.00 S ATOM 1030 CE MET A 63 4.670 -7.097 0.369 1.00 0.00 C ATOM 0 H MET A 63 0.712 -3.709 -1.190 1.00 0.00 H new ATOM 0 HA MET A 63 1.927 -6.185 -1.718 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.709 -4.326 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.383 -5.924 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.398 -3.921 -1.159 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.099 -4.173 0.427 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.177 -8.019 0.083 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.226 -6.611 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.663 -7.329 0.715 1.00 0.00 H new ATOM 1040 N ILE A 64 -0.794 -6.309 0.094 1.00 0.00 N ATOM 1041 CA ILE A 64 -1.788 -7.213 0.660 1.00 0.00 C ATOM 1042 C ILE A 64 -2.371 -8.101 -0.428 1.00 0.00 C ATOM 1043 O ILE A 64 -2.569 -9.298 -0.228 1.00 0.00 O ATOM 1044 CB ILE A 64 -2.930 -6.443 1.352 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.399 -5.707 2.576 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.063 -7.384 1.744 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.083 -4.254 2.306 1.00 0.00 C ATOM 0 H ILE A 64 -1.068 -5.326 0.094 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.283 -7.825 1.408 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.328 -5.713 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.135 -5.769 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.499 -6.208 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.856 -6.816 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.459 -7.869 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.686 -8.141 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.709 -3.787 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.325 -4.185 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.987 -3.740 1.979 1.00 0.00 H new ATOM 1059 N ILE A 65 -2.629 -7.508 -1.588 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.172 -8.251 -2.715 1.00 0.00 C ATOM 1061 C ILE A 65 -2.273 -9.433 -3.040 1.00 0.00 C ATOM 1062 O ILE A 65 -2.741 -10.557 -3.224 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.302 -7.364 -3.967 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.053 -6.071 -3.635 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.004 -8.121 -5.085 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.400 -6.302 -2.985 1.00 0.00 C ATOM 0 H ILE A 65 -2.471 -6.517 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.165 -8.600 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.301 -7.099 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.438 -5.464 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.195 -5.498 -4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.088 -7.479 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.428 -9.011 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.000 -8.416 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.874 -5.342 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.033 -6.882 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.265 -6.848 -2.051 1.00 0.00 H new ATOM 1078 N GLU A 66 -0.972 -9.169 -3.087 1.00 0.00 N ATOM 1079 CA GLU A 66 0.004 -10.209 -3.363 1.00 0.00 C ATOM 1080 C GLU A 66 0.179 -11.103 -2.141 1.00 0.00 C ATOM 1081 O GLU A 66 0.676 -12.224 -2.247 1.00 0.00 O ATOM 1082 CB GLU A 66 1.346 -9.589 -3.758 1.00 0.00 C ATOM 1083 CG GLU A 66 2.347 -10.598 -4.297 1.00 0.00 C ATOM 1084 CD GLU A 66 3.509 -9.941 -5.015 1.00 0.00 C ATOM 1085 OE1 GLU A 66 4.251 -9.173 -4.364 1.00 0.00 O ATOM 1086 OE2 GLU A 66 3.679 -10.193 -6.226 1.00 0.00 O ATOM 0 H GLU A 66 -0.572 -8.243 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.358 -10.814 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.174 -8.821 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.777 -9.091 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.728 -11.201 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.839 -11.278 -4.982 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.237 -10.602 -0.978 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.128 -11.365 0.259 1.00 0.00 C ATOM 1095 C TYR A 67 -1.314 -12.310 0.419 1.00 0.00 C ATOM 1096 O TYR A 67 -1.165 -13.435 0.896 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.048 -10.427 1.461 1.00 0.00 C ATOM 1098 CG TYR A 67 0.356 -11.122 2.742 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.561 -11.874 3.465 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.655 -11.029 3.226 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.195 -12.513 4.635 1.00 0.00 C ATOM 1102 CE2 TYR A 67 2.029 -11.666 4.394 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.100 -12.406 5.094 1.00 0.00 C ATOM 1104 OH TYR A 67 1.469 -13.042 6.258 1.00 0.00 O ATOM 0 H TYR A 67 -0.650 -9.676 -0.869 1.00 0.00 H new ATOM 0 HA TYR A 67 0.786 -11.957 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.668 -9.634 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.018 -9.951 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.576 -11.961 3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.385 -10.449 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.920 -13.093 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.043 -11.585 4.756 1.00 0.00 H new ATOM 0 HH TYR A 67 2.416 -12.867 6.441 1.00 0.00 H new ATOM 1114 N ARG A 68 -2.489 -11.844 0.013 1.00 0.00 N ATOM 1115 CA ARG A 68 -3.702 -12.644 0.108 1.00 0.00 C ATOM 1116 C ARG A 68 -3.750 -13.679 -1.010 1.00 0.00 C ATOM 1117 O ARG A 68 -4.266 -14.782 -0.828 1.00 0.00 O ATOM 1118 CB ARG A 68 -4.939 -11.744 0.045 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.085 -11.003 -1.273 1.00 0.00 C ATOM 1120 CD ARG A 68 -6.312 -10.105 -1.275 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.553 -10.874 -1.327 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.726 -10.365 -1.698 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.822 -9.088 -2.048 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -9.806 -11.133 -1.717 1.00 0.00 N ATOM 0 H ARG A 68 -2.627 -10.915 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.695 -13.166 1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.829 -12.351 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.892 -11.018 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.193 -10.403 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.157 -11.722 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.308 -9.484 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.267 -9.431 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.519 -11.859 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.995 -8.492 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.723 -8.703 -2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.739 -12.114 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.704 -10.743 -2.001 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.202 -13.318 -2.166 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.174 -14.219 -3.311 1.00 0.00 C ATOM 1140 C GLU A 69 -2.008 -15.197 -3.202 1.00 0.00 C ATOM 1141 O GLU A 69 -2.001 -16.241 -3.849 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.071 -13.424 -4.614 1.00 0.00 C ATOM 1143 CG GLU A 69 -3.871 -14.024 -5.758 1.00 0.00 C ATOM 1144 CD GLU A 69 -3.710 -13.249 -7.050 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -4.139 -12.077 -7.097 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -3.154 -13.814 -8.017 1.00 0.00 O ATOM 0 H GLU A 69 -2.772 -12.408 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.104 -14.788 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.415 -12.405 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.024 -13.360 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.556 -15.055 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.926 -14.051 -5.484 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.031 -14.858 -2.368 1.00 0.00 N ATOM 1154 CA LYS A 70 0.128 -15.705 -2.153 1.00 0.00 C ATOM 1155 C LYS A 70 -0.150 -16.653 -1.000 1.00 0.00 C ATOM 1156 O LYS A 70 0.167 -17.836 -1.064 1.00 0.00 O ATOM 1157 CB LYS A 70 1.364 -14.852 -1.856 1.00 0.00 C ATOM 1158 CG LYS A 70 2.576 -15.661 -1.421 1.00 0.00 C ATOM 1159 CD LYS A 70 3.873 -14.929 -1.728 1.00 0.00 C ATOM 1160 CE LYS A 70 4.241 -13.959 -0.618 1.00 0.00 C ATOM 1161 NZ LYS A 70 3.627 -12.619 -0.826 1.00 0.00 N ATOM 0 H LYS A 70 -1.023 -13.993 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 70 0.323 -16.284 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.622 -14.279 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.119 -14.133 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.515 -15.863 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.572 -16.626 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.677 -15.652 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.772 -14.387 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.915 -14.363 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.325 -13.858 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.366 -11.935 -1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.923 -12.675 -1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.163 -12.310 0.052 1.00 0.00 H new ATOM 1175 N GLN A 71 -0.759 -16.120 0.053 1.00 0.00 N ATOM 1176 CA GLN A 71 -1.096 -16.917 1.220 1.00 0.00 C ATOM 1177 C GLN A 71 -2.289 -17.813 0.925 1.00 0.00 C ATOM 1178 O GLN A 71 -2.442 -18.870 1.528 1.00 0.00 O ATOM 1179 CB GLN A 71 -1.394 -16.015 2.418 1.00 0.00 C ATOM 1180 CG GLN A 71 -1.396 -16.751 3.748 1.00 0.00 C ATOM 1181 CD GLN A 71 -1.576 -15.818 4.930 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -2.509 -15.015 4.967 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -0.680 -15.918 5.906 1.00 0.00 N ATOM 0 H GLN A 71 -1.028 -15.138 0.120 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.240 -17.546 1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.652 -15.217 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.365 -15.541 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.196 -17.491 3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.458 -17.296 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.078 -16.597 5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.750 -15.316 6.726 1.00 0.00 H new ATOM 1192 N LYS A 72 -3.128 -17.400 -0.016 1.00 0.00 N ATOM 1193 CA LYS A 72 -4.286 -18.199 -0.378 1.00 0.00 C ATOM 1194 C LYS A 72 -3.932 -19.159 -1.500 1.00 0.00 C ATOM 1195 O LYS A 72 -4.514 -20.234 -1.623 1.00 0.00 O ATOM 1196 CB LYS A 72 -5.463 -17.307 -0.781 1.00 0.00 C ATOM 1197 CG LYS A 72 -6.801 -18.028 -0.782 1.00 0.00 C ATOM 1198 CD LYS A 72 -7.962 -17.046 -0.721 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.014 -17.488 0.284 1.00 0.00 C ATOM 1200 NZ LYS A 72 -10.076 -18.320 -0.348 1.00 0.00 N ATOM 0 H LYS A 72 -3.029 -16.528 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.589 -18.779 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.517 -16.460 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.277 -16.902 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.886 -18.639 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.851 -18.706 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.590 -16.058 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.416 -16.956 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.536 -18.056 1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.467 -16.610 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.772 -18.600 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.550 -17.771 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.648 -19.171 -0.765 1.00 0.00 H new ATOM 1214 N SER A 73 -2.950 -18.782 -2.303 1.00 0.00 N ATOM 1215 CA SER A 73 -2.498 -19.633 -3.385 1.00 0.00 C ATOM 1216 C SER A 73 -1.446 -20.587 -2.853 1.00 0.00 C ATOM 1217 O SER A 73 -1.374 -21.747 -3.259 1.00 0.00 O ATOM 1218 CB SER A 73 -1.918 -18.797 -4.518 1.00 0.00 C ATOM 1219 OG SER A 73 -1.509 -19.614 -5.602 1.00 0.00 O ATOM 0 H SER A 73 -2.454 -17.894 -2.224 1.00 0.00 H new ATOM 0 HA SER A 73 -3.345 -20.196 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.663 -18.079 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.067 -18.223 -4.151 1.00 0.00 H new ATOM 0 HG SER A 73 -1.142 -19.051 -6.316 1.00 0.00 H new ATOM 1225 N GLU A 74 -0.633 -20.086 -1.925 1.00 0.00 N ATOM 1226 CA GLU A 74 0.413 -20.898 -1.320 1.00 0.00 C ATOM 1227 C GLU A 74 -0.126 -21.685 -0.128 1.00 0.00 C ATOM 1228 O GLU A 74 0.172 -22.870 0.022 1.00 0.00 O ATOM 1229 CB GLU A 74 1.591 -20.027 -0.879 1.00 0.00 C ATOM 1230 CG GLU A 74 2.853 -20.818 -0.579 1.00 0.00 C ATOM 1231 CD GLU A 74 4.100 -20.158 -1.135 1.00 0.00 C ATOM 1232 OE1 GLU A 74 4.130 -19.876 -2.352 1.00 0.00 O ATOM 1233 OE2 GLU A 74 5.047 -19.926 -0.354 1.00 0.00 O ATOM 0 H GLU A 74 -0.680 -19.127 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 74 0.761 -21.604 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.806 -19.298 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.304 -19.465 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.957 -20.933 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.758 -21.819 -0.999 1.00 0.00 H new ATOM 1240 N ARG A 75 -0.926 -21.033 0.720 1.00 0.00 N ATOM 1241 CA ARG A 75 -1.490 -21.708 1.882 1.00 0.00 C ATOM 1242 C ARG A 75 -2.846 -22.313 1.549 1.00 0.00 C ATOM 1243 O ARG A 75 -3.196 -23.384 2.046 1.00 0.00 O ATOM 1244 CB ARG A 75 -1.614 -20.749 3.068 1.00 0.00 C ATOM 1245 CG ARG A 75 -1.228 -21.377 4.399 1.00 0.00 C ATOM 1246 CD ARG A 75 -0.251 -20.502 5.169 1.00 0.00 C ATOM 1247 NE ARG A 75 0.693 -21.295 5.953 1.00 0.00 N ATOM 1248 CZ ARG A 75 1.740 -21.931 5.429 1.00 0.00 C ATOM 1249 NH1 ARG A 75 1.978 -21.869 4.124 1.00 0.00 N ATOM 1250 NH2 ARG A 75 2.549 -22.630 6.213 1.00 0.00 N ATOM 0 H ARG A 75 -1.192 -20.053 0.623 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.810 -22.512 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.982 -19.879 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.641 -20.390 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.124 -21.538 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.781 -22.356 4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.298 -19.871 4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.805 -19.837 5.832 1.00 0.00 H new ATOM 0 HE ARG A 75 0.542 -21.366 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.358 -21.333 3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.781 -22.358 3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.369 -22.680 7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.351 -23.117 5.813 1.00 0.00 H new ATOM 1264 N ALA A 76 -3.609 -21.619 0.705 1.00 0.00 N ATOM 1265 CA ALA A 76 -4.936 -22.091 0.306 1.00 0.00 C ATOM 1266 C ALA A 76 -5.725 -22.623 1.502 1.00 0.00 C ATOM 1267 O ALA A 76 -6.426 -21.819 2.151 1.00 0.00 O ATOM 1268 CB ALA A 76 -4.813 -23.164 -0.765 1.00 0.00 C ATOM 1269 OXT ALA A 76 -5.634 -23.838 1.776 1.00 0.00 O ATOM 0 H ALA A 76 -3.333 -20.731 0.285 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.484 -21.241 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.807 -23.506 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.305 -22.752 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.239 -24.004 -0.374 1.00 0.00 H new TER 1275 ALA A 76