USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 10 TYR OH : rot 180:sc= -0.0535 USER MOD Set 1.2: A 14 GLN : amide:sc= 0 K(o=-1.1,f=-1.8) USER MOD Set 1.3: A 45 HIS : no HD1:sc= -1.02 X(o=-1.1,f=-0.87) USER MOD Single : A 1 GLU N :NH3+ 171:sc= -0.0556 (180deg=-0.197) USER MOD Single : A 8 THR OG1 : rot 175:sc= 0.628 USER MOD Single : A 16 HIS : no HE2:sc= -0.611 K(o=-0.61,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= -0.66 (180deg=-2.52!) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 72:sc= -0.0819 USER MOD Single : A 43 TYR OH : rot -139:sc= 0.0685 USER MOD Single : A 44 TYR OH : rot 52:sc= 0.0107 USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -0.521 (180deg=-2.31!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 63 TYR OH : rot 11:sc= -1.03 USER MOD Single : A 65 GLN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 75 THR OG1 : rot -46:sc= 0.397 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 72:sc= 1.12 USER MOD Single : A 83 GLN : amide:sc= -0.572 K(o=-0.57,f=-0.0034) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= 0.185 (180deg=-0.62) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.076) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -11.710 0.495 18.524 1.00 0.00 N ATOM 2 CA GLU A 1 -12.073 0.685 17.100 1.00 0.00 C ATOM 3 C GLU A 1 -12.880 -0.525 16.593 1.00 0.00 C ATOM 4 O GLU A 1 -12.621 -1.662 16.994 1.00 0.00 O ATOM 5 CB GLU A 1 -10.810 0.958 16.214 1.00 0.00 C ATOM 6 CG GLU A 1 -9.774 -0.195 16.100 1.00 0.00 C ATOM 7 CD GLU A 1 -9.041 -0.542 17.401 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.005 0.086 17.699 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.509 -1.432 18.145 1.00 0.00 O ATOM 0 H1 GLU A 1 -11.041 1.237 18.814 1.00 0.00 H new ATOM 0 H2 GLU A 1 -12.566 0.552 19.111 1.00 0.00 H new ATOM 0 H3 GLU A 1 -11.267 -0.438 18.648 1.00 0.00 H new ATOM 0 HA GLU A 1 -12.704 1.570 17.021 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -11.148 1.212 15.209 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -10.300 1.836 16.610 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.285 -1.088 15.740 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -9.035 0.075 15.346 1.00 0.00 H new ATOM 18 N ASP A 2 -13.886 -0.249 15.746 1.00 0.00 N ATOM 19 CA ASP A 2 -14.720 -1.281 15.077 1.00 0.00 C ATOM 20 C ASP A 2 -13.877 -2.001 14.001 1.00 0.00 C ATOM 21 O ASP A 2 -13.074 -1.338 13.361 1.00 0.00 O ATOM 22 CB ASP A 2 -15.966 -0.597 14.419 1.00 0.00 C ATOM 23 CG ASP A 2 -16.962 -1.587 13.768 1.00 0.00 C ATOM 24 OD1 ASP A 2 -17.882 -2.067 14.466 1.00 0.00 O ATOM 25 OD2 ASP A 2 -16.823 -1.904 12.563 1.00 0.00 O ATOM 0 H ASP A 2 -14.152 0.704 15.499 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.062 -2.012 15.809 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.491 -0.017 15.178 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.622 0.107 13.661 1.00 0.00 H new ATOM 30 N PRO A 3 -14.027 -3.360 13.804 1.00 0.00 N ATOM 31 CA PRO A 3 -13.310 -4.126 12.742 1.00 0.00 C ATOM 32 C PRO A 3 -13.235 -3.429 11.357 1.00 0.00 C ATOM 33 O PRO A 3 -12.191 -3.477 10.689 1.00 0.00 O ATOM 34 CB PRO A 3 -14.118 -5.440 12.667 1.00 0.00 C ATOM 35 CG PRO A 3 -14.575 -5.660 14.078 1.00 0.00 C ATOM 36 CD PRO A 3 -14.843 -4.277 14.655 1.00 0.00 C ATOM 0 HA PRO A 3 -12.257 -4.249 12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -14.962 -5.352 11.982 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.504 -6.268 12.312 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.475 -6.275 14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.814 -6.183 14.657 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.902 -4.025 14.609 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.546 -4.218 15.702 1.00 0.00 H new ATOM 44 N GLU A 4 -14.323 -2.747 10.958 1.00 0.00 N ATOM 45 CA GLU A 4 -14.429 -2.122 9.623 1.00 0.00 C ATOM 46 C GLU A 4 -13.659 -0.792 9.521 1.00 0.00 C ATOM 47 O GLU A 4 -13.444 -0.306 8.401 1.00 0.00 O ATOM 48 CB GLU A 4 -15.913 -1.922 9.214 1.00 0.00 C ATOM 49 CG GLU A 4 -16.722 -3.226 9.070 1.00 0.00 C ATOM 50 CD GLU A 4 -16.068 -4.243 8.117 1.00 0.00 C ATOM 51 OE1 GLU A 4 -16.106 -4.029 6.884 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.499 -5.247 8.595 1.00 0.00 O ATOM 0 H GLU A 4 -15.147 -2.613 11.544 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.961 -2.816 8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.398 -1.289 9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.945 -1.384 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.841 -3.683 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.722 -2.988 8.706 1.00 0.00 H new ATOM 59 N ASP A 5 -13.258 -0.200 10.670 1.00 0.00 N ATOM 60 CA ASP A 5 -12.376 0.990 10.683 1.00 0.00 C ATOM 61 C ASP A 5 -11.072 0.683 9.918 1.00 0.00 C ATOM 62 O ASP A 5 -10.522 -0.419 10.065 1.00 0.00 O ATOM 63 CB ASP A 5 -12.032 1.469 12.132 1.00 0.00 C ATOM 64 CG ASP A 5 -13.149 2.295 12.792 1.00 0.00 C ATOM 65 OD1 ASP A 5 -13.518 3.353 12.238 1.00 0.00 O ATOM 66 OD2 ASP A 5 -13.649 1.919 13.868 1.00 0.00 O ATOM 0 H ASP A 5 -13.530 -0.526 11.597 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.921 1.798 10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.821 0.598 12.753 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.121 2.066 12.101 1.00 0.00 H new ATOM 71 N PRO A 6 -10.566 1.655 9.090 1.00 0.00 N ATOM 72 CA PRO A 6 -9.379 1.443 8.240 1.00 0.00 C ATOM 73 C PRO A 6 -8.145 1.038 9.053 1.00 0.00 C ATOM 74 O PRO A 6 -7.438 0.112 8.662 1.00 0.00 O ATOM 75 CB PRO A 6 -9.177 2.809 7.523 1.00 0.00 C ATOM 76 CG PRO A 6 -9.920 3.793 8.374 1.00 0.00 C ATOM 77 CD PRO A 6 -11.103 3.036 8.920 1.00 0.00 C ATOM 0 HA PRO A 6 -9.521 0.621 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.120 3.066 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.571 2.786 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.290 4.171 9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.241 4.655 7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.449 3.454 9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.949 3.059 8.233 1.00 0.00 H new ATOM 85 N PHE A 7 -7.959 1.696 10.217 1.00 0.00 N ATOM 86 CA PHE A 7 -6.819 1.458 11.114 1.00 0.00 C ATOM 87 C PHE A 7 -6.804 0.011 11.651 1.00 0.00 C ATOM 88 O PHE A 7 -5.729 -0.552 11.833 1.00 0.00 O ATOM 89 CB PHE A 7 -6.842 2.474 12.290 1.00 0.00 C ATOM 90 CG PHE A 7 -5.778 2.242 13.375 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.425 2.492 13.118 1.00 0.00 C ATOM 92 CD2 PHE A 7 -6.131 1.770 14.643 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.467 2.278 14.093 1.00 0.00 C ATOM 94 CE2 PHE A 7 -5.170 1.558 15.613 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.839 1.812 15.340 1.00 0.00 C ATOM 0 H PHE A 7 -8.602 2.410 10.559 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.906 1.601 10.536 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.712 3.478 11.885 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.827 2.443 12.757 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.125 2.856 12.147 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.168 1.569 14.867 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.427 2.475 13.879 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.460 1.193 16.587 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.090 1.646 16.100 1.00 0.00 H new ATOM 105 N THR A 8 -7.993 -0.565 11.917 1.00 0.00 N ATOM 106 CA THR A 8 -8.116 -1.915 12.501 1.00 0.00 C ATOM 107 C THR A 8 -7.474 -2.985 11.602 1.00 0.00 C ATOM 108 O THR A 8 -6.554 -3.683 12.032 1.00 0.00 O ATOM 109 CB THR A 8 -9.618 -2.280 12.741 1.00 0.00 C ATOM 110 OG1 THR A 8 -10.303 -1.133 13.238 1.00 0.00 O ATOM 111 CG2 THR A 8 -9.779 -3.447 13.739 1.00 0.00 C ATOM 0 H THR A 8 -8.888 -0.112 11.735 1.00 0.00 H new ATOM 0 HA THR A 8 -7.587 -1.898 13.454 1.00 0.00 H new ATOM 0 HB THR A 8 -10.043 -2.599 11.789 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.260 -1.331 13.315 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.838 -3.666 13.875 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.273 -4.331 13.350 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.340 -3.169 14.697 1.00 0.00 H new ATOM 119 N ARG A 9 -7.946 -3.066 10.340 1.00 0.00 N ATOM 120 CA ARG A 9 -7.450 -4.048 9.351 1.00 0.00 C ATOM 121 C ARG A 9 -6.046 -3.666 8.822 1.00 0.00 C ATOM 122 O ARG A 9 -5.298 -4.535 8.387 1.00 0.00 O ATOM 123 CB ARG A 9 -8.469 -4.257 8.192 1.00 0.00 C ATOM 124 CG ARG A 9 -8.891 -2.974 7.411 1.00 0.00 C ATOM 125 CD ARG A 9 -10.404 -2.645 7.493 1.00 0.00 C ATOM 126 NE ARG A 9 -11.250 -3.761 7.015 1.00 0.00 N ATOM 127 CZ ARG A 9 -12.515 -3.657 6.567 1.00 0.00 C ATOM 128 NH1 ARG A 9 -13.098 -2.477 6.393 1.00 0.00 N ATOM 129 NH2 ARG A 9 -13.188 -4.754 6.274 1.00 0.00 N ATOM 0 H ARG A 9 -8.679 -2.455 9.979 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.348 -5.004 9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.042 -4.966 7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.366 -4.719 8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.325 -2.126 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.613 -3.093 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.667 -2.409 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.612 -1.755 6.900 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.837 -4.694 7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.586 -1.620 6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.058 -2.428 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.749 -5.668 6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.147 -4.688 5.934 1.00 0.00 H new ATOM 143 N TYR A 10 -5.719 -2.361 8.864 1.00 0.00 N ATOM 144 CA TYR A 10 -4.384 -1.825 8.498 1.00 0.00 C ATOM 145 C TYR A 10 -3.300 -2.331 9.470 1.00 0.00 C ATOM 146 O TYR A 10 -2.289 -2.906 9.056 1.00 0.00 O ATOM 147 CB TYR A 10 -4.447 -0.268 8.495 1.00 0.00 C ATOM 148 CG TYR A 10 -3.109 0.459 8.293 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.519 0.548 7.032 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.440 1.059 9.369 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.319 1.202 6.855 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.241 1.713 9.192 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.685 1.779 7.935 1.00 0.00 C ATOM 154 OH TYR A 10 0.506 2.431 7.755 1.00 0.00 O ATOM 0 H TYR A 10 -6.377 -1.638 9.155 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.115 -2.177 7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.132 0.047 7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.877 0.060 9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.010 0.098 6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.874 1.007 10.357 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.876 1.263 5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.741 2.170 10.033 1.00 0.00 H new ATOM 0 HH TYR A 10 0.820 2.781 8.615 1.00 0.00 H new ATOM 164 N ALA A 11 -3.549 -2.117 10.772 1.00 0.00 N ATOM 165 CA ALA A 11 -2.630 -2.498 11.858 1.00 0.00 C ATOM 166 C ALA A 11 -2.600 -4.026 12.038 1.00 0.00 C ATOM 167 O ALA A 11 -1.564 -4.592 12.382 1.00 0.00 O ATOM 168 CB ALA A 11 -3.034 -1.798 13.170 1.00 0.00 C ATOM 0 H ALA A 11 -4.403 -1.670 11.104 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.625 -2.173 11.590 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.346 -2.089 13.964 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.994 -0.717 13.033 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.048 -2.092 13.442 1.00 0.00 H new ATOM 174 N LEU A 12 -3.758 -4.670 11.795 1.00 0.00 N ATOM 175 CA LEU A 12 -3.898 -6.141 11.827 1.00 0.00 C ATOM 176 C LEU A 12 -3.086 -6.783 10.689 1.00 0.00 C ATOM 177 O LEU A 12 -2.498 -7.849 10.866 1.00 0.00 O ATOM 178 CB LEU A 12 -5.392 -6.534 11.708 1.00 0.00 C ATOM 179 CG LEU A 12 -5.737 -8.053 11.802 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.259 -8.672 13.139 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.253 -8.280 11.575 1.00 0.00 C ATOM 0 H LEU A 12 -4.626 -4.184 11.570 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.511 -6.509 12.777 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.942 -6.013 12.491 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.765 -6.161 10.754 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.195 -8.569 11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.519 -9.730 13.163 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.178 -8.562 13.225 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.743 -8.160 13.971 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.476 -9.345 11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.819 -7.741 12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.532 -7.914 10.587 1.00 0.00 H new ATOM 193 N ALA A 13 -3.068 -6.107 9.522 1.00 0.00 N ATOM 194 CA ALA A 13 -2.273 -6.522 8.351 1.00 0.00 C ATOM 195 C ALA A 13 -0.773 -6.439 8.663 1.00 0.00 C ATOM 196 O ALA A 13 -0.005 -7.331 8.314 1.00 0.00 O ATOM 197 CB ALA A 13 -2.619 -5.663 7.127 1.00 0.00 C ATOM 0 H ALA A 13 -3.607 -5.255 9.366 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.520 -7.558 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.021 -5.986 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.677 -5.775 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.405 -4.617 7.345 1.00 0.00 H new ATOM 203 N GLN A 14 -0.378 -5.355 9.342 1.00 0.00 N ATOM 204 CA GLN A 14 1.005 -5.156 9.815 1.00 0.00 C ATOM 205 C GLN A 14 1.417 -6.222 10.860 1.00 0.00 C ATOM 206 O GLN A 14 2.575 -6.655 10.881 1.00 0.00 O ATOM 207 CB GLN A 14 1.163 -3.723 10.373 1.00 0.00 C ATOM 208 CG GLN A 14 1.033 -2.620 9.305 1.00 0.00 C ATOM 209 CD GLN A 14 1.095 -1.201 9.876 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.668 -0.952 11.003 1.00 0.00 O ATOM 211 NE2 GLN A 14 1.636 -0.264 9.106 1.00 0.00 N ATOM 0 H GLN A 14 -1.006 -4.588 9.581 1.00 0.00 H new ATOM 0 HA GLN A 14 1.680 -5.279 8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.411 -3.559 11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.137 -3.636 10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.829 -2.742 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.089 -2.748 8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.980 -0.504 8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.707 0.696 9.444 1.00 0.00 H new ATOM 220 N GLU A 15 0.460 -6.649 11.709 1.00 0.00 N ATOM 221 CA GLU A 15 0.665 -7.761 12.662 1.00 0.00 C ATOM 222 C GLU A 15 0.877 -9.088 11.910 1.00 0.00 C ATOM 223 O GLU A 15 1.706 -9.903 12.315 1.00 0.00 O ATOM 224 CB GLU A 15 -0.541 -7.877 13.640 1.00 0.00 C ATOM 225 CG GLU A 15 -0.610 -6.781 14.715 1.00 0.00 C ATOM 226 CD GLU A 15 0.598 -6.821 15.669 1.00 0.00 C ATOM 227 OE1 GLU A 15 0.670 -7.749 16.504 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.491 -5.953 15.573 1.00 0.00 O ATOM 0 H GLU A 15 -0.472 -6.236 11.754 1.00 0.00 H new ATOM 0 HA GLU A 15 1.561 -7.548 13.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.464 -7.855 13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.498 -8.848 14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.657 -5.805 14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.528 -6.897 15.290 1.00 0.00 H new ATOM 235 N HIS A 16 0.101 -9.283 10.824 1.00 0.00 N ATOM 236 CA HIS A 16 0.231 -10.452 9.932 1.00 0.00 C ATOM 237 C HIS A 16 1.635 -10.511 9.305 1.00 0.00 C ATOM 238 O HIS A 16 2.242 -11.570 9.265 1.00 0.00 O ATOM 239 CB HIS A 16 -0.850 -10.435 8.818 1.00 0.00 C ATOM 240 CG HIS A 16 -2.268 -10.579 9.294 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.627 -11.315 10.395 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.420 -10.066 8.808 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.929 -11.255 10.559 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.434 -10.501 9.616 1.00 0.00 N ATOM 0 H HIS A 16 -0.633 -8.634 10.541 1.00 0.00 H new ATOM 0 HA HIS A 16 0.082 -11.344 10.540 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.763 -9.499 8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.637 -11.241 8.116 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -1.982 -11.830 10.994 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.521 -9.430 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.489 -11.746 11.341 1.00 0.00 H new ATOM 253 N LEU A 17 2.145 -9.352 8.854 1.00 0.00 N ATOM 254 CA LEU A 17 3.504 -9.222 8.279 1.00 0.00 C ATOM 255 C LEU A 17 4.586 -9.691 9.269 1.00 0.00 C ATOM 256 O LEU A 17 5.536 -10.383 8.885 1.00 0.00 O ATOM 257 CB LEU A 17 3.756 -7.748 7.861 1.00 0.00 C ATOM 258 CG LEU A 17 2.934 -7.248 6.634 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.056 -5.724 6.442 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.344 -8.011 5.356 1.00 0.00 C ATOM 0 H LEU A 17 1.628 -8.473 8.876 1.00 0.00 H new ATOM 0 HA LEU A 17 3.564 -9.864 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.533 -7.104 8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.816 -7.628 7.639 1.00 0.00 H new ATOM 0 HG LEU A 17 1.883 -7.458 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.468 -5.418 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.685 -5.214 7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.101 -5.460 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.759 -7.647 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.404 -7.849 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.159 -9.076 5.493 1.00 0.00 H new ATOM 272 N LYS A 18 4.403 -9.317 10.543 1.00 0.00 N ATOM 273 CA LYS A 18 5.305 -9.705 11.640 1.00 0.00 C ATOM 274 C LYS A 18 5.164 -11.209 11.966 1.00 0.00 C ATOM 275 O LYS A 18 6.137 -11.869 12.331 1.00 0.00 O ATOM 276 CB LYS A 18 4.997 -8.845 12.891 1.00 0.00 C ATOM 277 CG LYS A 18 5.179 -7.324 12.687 1.00 0.00 C ATOM 278 CD LYS A 18 4.795 -6.460 13.922 1.00 0.00 C ATOM 279 CE LYS A 18 5.832 -6.492 15.066 1.00 0.00 C ATOM 280 NZ LYS A 18 5.926 -7.814 15.738 1.00 0.00 N ATOM 0 H LYS A 18 3.622 -8.734 10.844 1.00 0.00 H new ATOM 0 HA LYS A 18 6.334 -9.529 11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.970 -9.036 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.644 -9.169 13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.220 -7.126 12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.575 -7.009 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.658 -5.428 13.600 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.835 -6.804 14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.811 -6.225 14.667 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.571 -5.734 15.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.048 -7.675 16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.055 -8.355 15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.741 -8.338 15.360 1.00 0.00 H new ATOM 294 N HIS A 19 3.935 -11.737 11.808 1.00 0.00 N ATOM 295 CA HIS A 19 3.614 -13.171 12.027 1.00 0.00 C ATOM 296 C HIS A 19 3.893 -14.041 10.779 1.00 0.00 C ATOM 297 O HIS A 19 3.529 -15.230 10.771 1.00 0.00 O ATOM 298 CB HIS A 19 2.133 -13.330 12.440 1.00 0.00 C ATOM 299 CG HIS A 19 1.769 -12.733 13.773 1.00 0.00 C ATOM 300 ND1 HIS A 19 0.561 -12.118 14.012 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.441 -12.697 14.949 1.00 0.00 C ATOM 302 CE1 HIS A 19 0.506 -11.726 15.268 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.635 -12.066 15.856 1.00 0.00 N ATOM 0 H HIS A 19 3.128 -11.182 11.523 1.00 0.00 H new ATOM 0 HA HIS A 19 4.268 -13.520 12.827 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.508 -12.873 11.673 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.890 -14.392 12.458 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.429 -13.093 15.135 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.322 -11.214 15.736 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.870 -11.887 16.832 1.00 0.00 H new ATOM 312 N ASP A 20 4.488 -13.420 9.730 1.00 0.00 N ATOM 313 CA ASP A 20 4.902 -14.081 8.460 1.00 0.00 C ATOM 314 C ASP A 20 3.710 -14.298 7.482 1.00 0.00 C ATOM 315 O ASP A 20 3.895 -14.750 6.346 1.00 0.00 O ATOM 316 CB ASP A 20 5.693 -15.404 8.739 1.00 0.00 C ATOM 317 CG ASP A 20 6.352 -16.023 7.497 1.00 0.00 C ATOM 318 OD1 ASP A 20 7.362 -15.471 7.024 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.867 -17.050 6.979 1.00 0.00 O ATOM 0 H ASP A 20 4.700 -12.422 9.741 1.00 0.00 H new ATOM 0 HA ASP A 20 5.583 -13.398 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.464 -15.202 9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.013 -16.135 9.176 1.00 0.00 H new ATOM 324 N ASN A 21 2.494 -13.928 7.928 1.00 0.00 N ATOM 325 CA ASN A 21 1.241 -14.022 7.141 1.00 0.00 C ATOM 326 C ASN A 21 1.113 -12.831 6.157 1.00 0.00 C ATOM 327 O ASN A 21 0.177 -12.023 6.241 1.00 0.00 O ATOM 328 CB ASN A 21 0.020 -14.066 8.107 1.00 0.00 C ATOM 329 CG ASN A 21 0.071 -15.224 9.094 1.00 0.00 C ATOM 330 OD1 ASN A 21 0.668 -15.115 10.156 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.561 -16.329 8.768 1.00 0.00 N ATOM 0 H ASN A 21 2.348 -13.548 8.863 1.00 0.00 H new ATOM 0 HA ASN A 21 1.265 -14.939 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.030 -13.128 8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.896 -14.139 7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.562 -17.124 9.407 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.051 -16.392 7.876 1.00 0.00 H new ATOM 338 N ALA A 22 2.062 -12.744 5.209 1.00 0.00 N ATOM 339 CA ALA A 22 2.095 -11.682 4.186 1.00 0.00 C ATOM 340 C ALA A 22 0.872 -11.780 3.255 1.00 0.00 C ATOM 341 O ALA A 22 0.367 -10.768 2.787 1.00 0.00 O ATOM 342 CB ALA A 22 3.395 -11.760 3.379 1.00 0.00 C ATOM 0 H ALA A 22 2.831 -13.410 5.130 1.00 0.00 H new ATOM 0 HA ALA A 22 2.058 -10.717 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.405 -10.970 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.247 -11.635 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.460 -12.730 2.886 1.00 0.00 H new ATOM 348 N SER A 23 0.430 -13.021 3.005 1.00 0.00 N ATOM 349 CA SER A 23 -0.783 -13.337 2.232 1.00 0.00 C ATOM 350 C SER A 23 -2.052 -12.719 2.855 1.00 0.00 C ATOM 351 O SER A 23 -2.881 -12.134 2.141 1.00 0.00 O ATOM 352 CB SER A 23 -0.920 -14.871 2.135 1.00 0.00 C ATOM 353 OG SER A 23 -0.897 -15.464 3.425 1.00 0.00 O ATOM 0 H SER A 23 0.916 -13.852 3.341 1.00 0.00 H new ATOM 0 HA SER A 23 -0.682 -12.902 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.852 -15.126 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.108 -15.275 1.530 1.00 0.00 H new ATOM 0 HG SER A 23 -0.987 -16.436 3.340 1.00 0.00 H new ATOM 359 N ARG A 24 -2.178 -12.848 4.190 1.00 0.00 N ATOM 360 CA ARG A 24 -3.321 -12.317 4.956 1.00 0.00 C ATOM 361 C ARG A 24 -3.267 -10.784 5.011 1.00 0.00 C ATOM 362 O ARG A 24 -4.297 -10.103 4.908 1.00 0.00 O ATOM 363 CB ARG A 24 -3.307 -12.913 6.392 1.00 0.00 C ATOM 364 CG ARG A 24 -3.507 -14.442 6.457 1.00 0.00 C ATOM 365 CD ARG A 24 -4.906 -14.870 5.989 1.00 0.00 C ATOM 366 NE ARG A 24 -5.098 -16.330 6.064 1.00 0.00 N ATOM 367 CZ ARG A 24 -5.947 -17.047 5.302 1.00 0.00 C ATOM 368 NH1 ARG A 24 -6.669 -16.463 4.356 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.075 -18.352 5.507 1.00 0.00 N ATOM 0 H ARG A 24 -1.487 -13.325 4.769 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.247 -12.606 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.357 -12.664 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.090 -12.432 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.755 -14.931 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.349 -14.783 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.659 -14.375 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.061 -14.537 4.963 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.542 -16.840 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.586 -15.459 4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.308 -17.018 3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.532 -18.809 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.717 -18.898 4.932 1.00 0.00 H new ATOM 383 N ALA A 25 -2.037 -10.265 5.159 1.00 0.00 N ATOM 384 CA ALA A 25 -1.752 -8.825 5.176 1.00 0.00 C ATOM 385 C ALA A 25 -2.112 -8.181 3.832 1.00 0.00 C ATOM 386 O ALA A 25 -2.695 -7.094 3.789 1.00 0.00 O ATOM 387 CB ALA A 25 -0.272 -8.600 5.484 1.00 0.00 C ATOM 0 H ALA A 25 -1.204 -10.843 5.271 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.361 -8.358 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.061 -7.531 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.034 -9.028 6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.336 -9.081 4.718 1.00 0.00 H new ATOM 393 N LEU A 26 -1.802 -8.925 2.752 1.00 0.00 N ATOM 394 CA LEU A 26 -1.984 -8.479 1.366 1.00 0.00 C ATOM 395 C LEU A 26 -3.468 -8.227 1.108 1.00 0.00 C ATOM 396 O LEU A 26 -3.851 -7.154 0.651 1.00 0.00 O ATOM 397 CB LEU A 26 -1.436 -9.551 0.376 1.00 0.00 C ATOM 398 CG LEU A 26 -1.331 -9.120 -1.119 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.263 -8.022 -1.310 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.050 -10.334 -2.036 1.00 0.00 C ATOM 0 H LEU A 26 -1.413 -9.865 2.824 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.429 -7.554 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.446 -9.855 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.077 -10.431 0.434 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.295 -8.702 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.213 -7.742 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.529 -7.149 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.708 -8.399 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.983 -10.000 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.110 -10.801 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.860 -11.057 -1.940 1.00 0.00 H new ATOM 412 N ALA A 27 -4.283 -9.231 1.472 1.00 0.00 N ATOM 413 CA ALA A 27 -5.745 -9.195 1.344 1.00 0.00 C ATOM 414 C ALA A 27 -6.380 -8.016 2.117 1.00 0.00 C ATOM 415 O ALA A 27 -7.276 -7.354 1.591 1.00 0.00 O ATOM 416 CB ALA A 27 -6.334 -10.537 1.801 1.00 0.00 C ATOM 0 H ALA A 27 -3.936 -10.104 1.870 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.984 -9.033 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.419 -10.509 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.936 -11.339 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.066 -10.716 2.842 1.00 0.00 H new ATOM 422 N LEU A 28 -5.916 -7.757 3.359 1.00 0.00 N ATOM 423 CA LEU A 28 -6.463 -6.652 4.194 1.00 0.00 C ATOM 424 C LEU A 28 -6.142 -5.263 3.612 1.00 0.00 C ATOM 425 O LEU A 28 -6.977 -4.352 3.681 1.00 0.00 O ATOM 426 CB LEU A 28 -5.962 -6.740 5.659 1.00 0.00 C ATOM 427 CG LEU A 28 -6.418 -7.990 6.477 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.986 -7.865 7.949 1.00 0.00 C ATOM 429 CD2 LEU A 28 -7.941 -8.232 6.364 1.00 0.00 C ATOM 0 H LEU A 28 -5.171 -8.290 3.807 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.546 -6.776 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.872 -6.718 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.294 -5.846 6.188 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.923 -8.860 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.314 -8.746 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.900 -7.786 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.438 -6.975 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.214 -9.111 6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.477 -7.362 6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.207 -8.394 5.319 1.00 0.00 H new ATOM 441 N PHE A 29 -4.932 -5.110 3.054 1.00 0.00 N ATOM 442 CA PHE A 29 -4.525 -3.870 2.379 1.00 0.00 C ATOM 443 C PHE A 29 -5.338 -3.683 1.073 1.00 0.00 C ATOM 444 O PHE A 29 -5.803 -2.585 0.772 1.00 0.00 O ATOM 445 CB PHE A 29 -2.998 -3.856 2.085 1.00 0.00 C ATOM 446 CG PHE A 29 -2.070 -3.704 3.298 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.301 -2.714 4.254 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.958 -4.535 3.471 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.456 -2.566 5.342 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.114 -4.385 4.559 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.364 -3.401 5.495 1.00 0.00 C ATOM 0 H PHE A 29 -4.215 -5.835 3.058 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.736 -3.035 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.741 -4.783 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.791 -3.040 1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.149 -2.055 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.754 -5.307 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.651 -1.796 6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.739 -5.037 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.292 -3.284 6.345 1.00 0.00 H new ATOM 461 N GLU A 30 -5.524 -4.772 0.311 1.00 0.00 N ATOM 462 CA GLU A 30 -6.365 -4.761 -0.908 1.00 0.00 C ATOM 463 C GLU A 30 -7.823 -4.385 -0.578 1.00 0.00 C ATOM 464 O GLU A 30 -8.473 -3.679 -1.358 1.00 0.00 O ATOM 465 CB GLU A 30 -6.322 -6.130 -1.618 1.00 0.00 C ATOM 466 CG GLU A 30 -4.960 -6.484 -2.230 1.00 0.00 C ATOM 467 CD GLU A 30 -4.977 -7.849 -2.915 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.355 -7.924 -4.104 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.656 -8.859 -2.261 1.00 0.00 O ATOM 0 H GLU A 30 -5.103 -5.678 0.515 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.958 -4.004 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.598 -6.905 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.075 -6.141 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.678 -5.719 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.200 -6.480 -1.449 1.00 0.00 H new ATOM 476 N GLU A 31 -8.297 -4.845 0.603 1.00 0.00 N ATOM 477 CA GLU A 31 -9.641 -4.541 1.121 1.00 0.00 C ATOM 478 C GLU A 31 -9.774 -3.027 1.344 1.00 0.00 C ATOM 479 O GLU A 31 -10.762 -2.418 0.934 1.00 0.00 O ATOM 480 CB GLU A 31 -9.898 -5.316 2.451 1.00 0.00 C ATOM 481 CG GLU A 31 -11.218 -4.964 3.182 1.00 0.00 C ATOM 482 CD GLU A 31 -12.484 -5.328 2.384 1.00 0.00 C ATOM 483 OE1 GLU A 31 -12.929 -6.489 2.480 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.043 -4.462 1.673 1.00 0.00 O ATOM 0 H GLU A 31 -7.750 -5.441 1.224 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.387 -4.860 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.896 -6.384 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.066 -5.126 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.242 -5.483 4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.230 -3.896 3.398 1.00 0.00 H new ATOM 491 N LEU A 32 -8.735 -2.445 1.966 1.00 0.00 N ATOM 492 CA LEU A 32 -8.652 -1.003 2.253 1.00 0.00 C ATOM 493 C LEU A 32 -8.793 -0.147 0.984 1.00 0.00 C ATOM 494 O LEU A 32 -9.522 0.838 1.000 1.00 0.00 O ATOM 495 CB LEU A 32 -7.317 -0.686 2.973 1.00 0.00 C ATOM 496 CG LEU A 32 -7.245 -1.085 4.472 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.802 -1.016 5.021 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.203 -0.201 5.296 1.00 0.00 C ATOM 0 H LEU A 32 -7.920 -2.968 2.287 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.488 -0.748 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.511 -1.193 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.128 0.384 2.892 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.561 -2.124 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.799 -1.303 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.165 -1.697 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.423 0.001 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.148 -0.486 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.916 0.845 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.223 -0.337 4.936 1.00 0.00 H new ATOM 510 N VAL A 33 -8.082 -0.541 -0.092 1.00 0.00 N ATOM 511 CA VAL A 33 -8.120 0.164 -1.396 1.00 0.00 C ATOM 512 C VAL A 33 -9.535 0.136 -2.006 1.00 0.00 C ATOM 513 O VAL A 33 -10.104 1.183 -2.325 1.00 0.00 O ATOM 514 CB VAL A 33 -7.076 -0.459 -2.408 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.182 0.162 -3.826 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.639 -0.318 -1.860 1.00 0.00 C ATOM 0 H VAL A 33 -7.466 -1.354 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.848 1.203 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.318 -1.517 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.444 -0.300 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.181 -0.011 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.995 1.234 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.935 -0.752 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.406 0.737 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.561 -0.839 -0.906 1.00 0.00 H new ATOM 526 N GLU A 34 -10.093 -1.078 -2.155 1.00 0.00 N ATOM 527 CA GLU A 34 -11.383 -1.275 -2.837 1.00 0.00 C ATOM 528 C GLU A 34 -12.569 -0.653 -2.062 1.00 0.00 C ATOM 529 O GLU A 34 -13.536 -0.196 -2.684 1.00 0.00 O ATOM 530 CB GLU A 34 -11.630 -2.780 -3.131 1.00 0.00 C ATOM 531 CG GLU A 34 -11.697 -3.680 -1.885 1.00 0.00 C ATOM 532 CD GLU A 34 -11.877 -5.167 -2.219 1.00 0.00 C ATOM 533 OE1 GLU A 34 -10.862 -5.872 -2.443 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.034 -5.635 -2.284 1.00 0.00 O ATOM 0 H GLU A 34 -9.669 -1.940 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.322 -0.744 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.564 -2.879 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.835 -3.144 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.783 -3.553 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.524 -3.354 -1.254 1.00 0.00 H new ATOM 541 N THR A 35 -12.502 -0.622 -0.709 1.00 0.00 N ATOM 542 CA THR A 35 -13.597 -0.070 0.123 1.00 0.00 C ATOM 543 C THR A 35 -13.405 1.436 0.385 1.00 0.00 C ATOM 544 O THR A 35 -14.381 2.164 0.585 1.00 0.00 O ATOM 545 CB THR A 35 -13.756 -0.846 1.485 1.00 0.00 C ATOM 546 OG1 THR A 35 -15.053 -0.572 2.057 1.00 0.00 O ATOM 547 CG2 THR A 35 -12.665 -0.506 2.530 1.00 0.00 C ATOM 0 H THR A 35 -11.706 -0.970 -0.174 1.00 0.00 H new ATOM 0 HA THR A 35 -14.516 -0.206 -0.447 1.00 0.00 H new ATOM 0 HB THR A 35 -13.647 -1.903 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.147 -1.058 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.842 -1.079 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.684 -0.758 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.700 0.559 2.759 1.00 0.00 H new ATOM 555 N ASP A 36 -12.140 1.885 0.400 1.00 0.00 N ATOM 556 CA ASP A 36 -11.780 3.297 0.626 1.00 0.00 C ATOM 557 C ASP A 36 -10.590 3.657 -0.300 1.00 0.00 C ATOM 558 O ASP A 36 -9.421 3.455 0.071 1.00 0.00 O ATOM 559 CB ASP A 36 -11.421 3.553 2.123 1.00 0.00 C ATOM 560 CG ASP A 36 -11.326 5.054 2.475 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.386 5.735 2.019 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.192 5.562 3.224 1.00 0.00 O ATOM 0 H ASP A 36 -11.333 1.278 0.255 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.633 3.933 0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.174 3.084 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.470 3.072 2.350 1.00 0.00 H new ATOM 567 N PRO A 37 -10.862 4.203 -1.523 1.00 0.00 N ATOM 568 CA PRO A 37 -9.824 4.404 -2.556 1.00 0.00 C ATOM 569 C PRO A 37 -8.985 5.684 -2.364 1.00 0.00 C ATOM 570 O PRO A 37 -8.308 6.106 -3.302 1.00 0.00 O ATOM 571 CB PRO A 37 -10.662 4.458 -3.855 1.00 0.00 C ATOM 572 CG PRO A 37 -11.949 5.101 -3.437 1.00 0.00 C ATOM 573 CD PRO A 37 -12.189 4.680 -1.993 1.00 0.00 C ATOM 0 HA PRO A 37 -9.069 3.618 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.160 5.039 -4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.829 3.461 -4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.886 6.186 -3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.770 4.779 -4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.548 5.514 -1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.940 3.893 -1.928 1.00 0.00 H new ATOM 581 N ASP A 38 -9.015 6.297 -1.165 1.00 0.00 N ATOM 582 CA ASP A 38 -8.189 7.486 -0.874 1.00 0.00 C ATOM 583 C ASP A 38 -7.379 7.340 0.413 1.00 0.00 C ATOM 584 O ASP A 38 -6.583 8.232 0.721 1.00 0.00 O ATOM 585 CB ASP A 38 -9.048 8.778 -0.856 1.00 0.00 C ATOM 586 CG ASP A 38 -10.102 8.808 0.254 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.168 8.182 0.081 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.879 9.477 1.293 1.00 0.00 O ATOM 0 H ASP A 38 -9.598 5.991 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.468 7.570 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.389 9.639 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.546 8.884 -1.820 1.00 0.00 H new ATOM 593 N TYR A 39 -7.577 6.229 1.168 1.00 0.00 N ATOM 594 CA TYR A 39 -6.738 5.913 2.343 1.00 0.00 C ATOM 595 C TYR A 39 -5.287 5.636 1.876 1.00 0.00 C ATOM 596 O TYR A 39 -4.939 4.515 1.481 1.00 0.00 O ATOM 597 CB TYR A 39 -7.329 4.715 3.158 1.00 0.00 C ATOM 598 CG TYR A 39 -6.656 4.480 4.533 1.00 0.00 C ATOM 599 CD1 TYR A 39 -6.410 5.541 5.412 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.274 3.204 4.953 1.00 0.00 C ATOM 601 CE1 TYR A 39 -5.805 5.333 6.640 1.00 0.00 C ATOM 602 CE2 TYR A 39 -5.671 2.994 6.180 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.439 4.059 7.018 1.00 0.00 C ATOM 604 OH TYR A 39 -4.843 3.851 8.245 1.00 0.00 O ATOM 0 H TYR A 39 -8.308 5.543 0.982 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.728 6.769 3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.394 4.888 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.237 3.807 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.698 6.542 5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.454 2.360 4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.620 6.167 7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.383 1.997 6.479 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.649 2.897 8.357 1.00 0.00 H new ATOM 614 N VAL A 40 -4.465 6.703 1.911 1.00 0.00 N ATOM 615 CA VAL A 40 -3.109 6.744 1.318 1.00 0.00 C ATOM 616 C VAL A 40 -2.155 5.742 1.994 1.00 0.00 C ATOM 617 O VAL A 40 -1.302 5.128 1.328 1.00 0.00 O ATOM 618 CB VAL A 40 -2.491 8.189 1.441 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.143 8.290 0.704 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.477 9.269 0.950 1.00 0.00 C ATOM 0 H VAL A 40 -4.728 7.580 2.361 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.218 6.471 0.268 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.303 8.371 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.745 9.299 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.440 7.576 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.288 8.066 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.018 10.253 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.724 9.088 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.387 9.231 1.549 1.00 0.00 H new ATOM 630 N GLY A 41 -2.334 5.585 3.319 1.00 0.00 N ATOM 631 CA GLY A 41 -1.458 4.762 4.156 1.00 0.00 C ATOM 632 C GLY A 41 -1.385 3.313 3.712 1.00 0.00 C ATOM 633 O GLY A 41 -0.345 2.661 3.853 1.00 0.00 O ATOM 0 H GLY A 41 -3.094 6.029 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.455 5.188 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.811 4.801 5.186 1.00 0.00 H new ATOM 637 N THR A 42 -2.500 2.828 3.159 1.00 0.00 N ATOM 638 CA THR A 42 -2.583 1.506 2.555 1.00 0.00 C ATOM 639 C THR A 42 -1.585 1.350 1.405 1.00 0.00 C ATOM 640 O THR A 42 -0.757 0.445 1.429 1.00 0.00 O ATOM 641 CB THR A 42 -4.006 1.254 1.991 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.966 1.427 3.024 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.125 -0.149 1.394 1.00 0.00 C ATOM 0 H THR A 42 -3.375 3.351 3.120 1.00 0.00 H new ATOM 0 HA THR A 42 -2.350 0.785 3.339 1.00 0.00 H new ATOM 0 HB THR A 42 -4.192 1.974 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.045 2.379 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.133 -0.295 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.405 -0.262 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.921 -0.891 2.166 1.00 0.00 H new ATOM 651 N TYR A 43 -1.671 2.283 0.439 1.00 0.00 N ATOM 652 CA TYR A 43 -1.016 2.172 -0.875 1.00 0.00 C ATOM 653 C TYR A 43 0.500 1.978 -0.758 1.00 0.00 C ATOM 654 O TYR A 43 1.093 1.235 -1.553 1.00 0.00 O ATOM 655 CB TYR A 43 -1.347 3.411 -1.734 1.00 0.00 C ATOM 656 CG TYR A 43 -2.819 3.476 -2.183 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.269 2.672 -3.232 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.746 4.334 -1.584 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.568 2.721 -3.664 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.059 4.379 -2.019 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.457 3.569 -3.061 1.00 0.00 C ATOM 662 OH TYR A 43 -6.748 3.616 -3.514 1.00 0.00 O ATOM 0 H TYR A 43 -2.204 3.145 0.552 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.407 1.280 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.109 4.310 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.707 3.413 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.578 1.996 -3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.433 4.971 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.890 2.091 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.766 5.044 -1.546 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.057 4.546 -3.526 1.00 0.00 H new ATOM 672 N TYR A 44 1.115 2.681 0.210 1.00 0.00 N ATOM 673 CA TYR A 44 2.521 2.472 0.571 1.00 0.00 C ATOM 674 C TYR A 44 2.790 0.997 0.932 1.00 0.00 C ATOM 675 O TYR A 44 3.402 0.286 0.152 1.00 0.00 O ATOM 676 CB TYR A 44 2.903 3.421 1.742 1.00 0.00 C ATOM 677 CG TYR A 44 4.391 3.386 2.146 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.391 3.712 1.225 1.00 0.00 C ATOM 679 CD2 TYR A 44 4.795 3.038 3.443 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.726 3.696 1.582 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.130 3.021 3.799 1.00 0.00 C ATOM 682 CZ TYR A 44 7.090 3.350 2.866 1.00 0.00 C ATOM 683 OH TYR A 44 8.417 3.343 3.221 1.00 0.00 O ATOM 0 H TYR A 44 0.651 3.405 0.759 1.00 0.00 H new ATOM 0 HA TYR A 44 3.147 2.708 -0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.641 4.442 1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.299 3.163 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.115 3.981 0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.048 2.778 4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.483 3.954 0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.420 2.751 4.804 1.00 0.00 H new ATOM 0 HH TYR A 44 8.824 4.202 2.983 1.00 0.00 H new ATOM 693 N HIS A 45 2.222 0.540 2.060 1.00 0.00 N ATOM 694 CA HIS A 45 2.510 -0.799 2.640 1.00 0.00 C ATOM 695 C HIS A 45 2.073 -1.965 1.723 1.00 0.00 C ATOM 696 O HIS A 45 2.701 -3.029 1.730 1.00 0.00 O ATOM 697 CB HIS A 45 1.866 -0.929 4.042 1.00 0.00 C ATOM 698 CG HIS A 45 2.417 0.046 5.044 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.475 -0.242 5.874 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.067 1.315 5.329 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.746 0.805 6.623 1.00 0.00 C ATOM 702 NE2 HIS A 45 2.906 1.764 6.308 1.00 0.00 N ATOM 0 H HIS A 45 1.549 1.082 2.602 1.00 0.00 H new ATOM 0 HA HIS A 45 3.593 -0.875 2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.790 -0.780 3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.018 -1.943 4.411 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.268 1.876 4.867 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.525 0.865 7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.884 2.694 6.727 1.00 0.00 H new ATOM 711 N LEU A 46 1.016 -1.740 0.937 1.00 0.00 N ATOM 712 CA LEU A 46 0.487 -2.730 -0.022 1.00 0.00 C ATOM 713 C LEU A 46 1.455 -2.879 -1.204 1.00 0.00 C ATOM 714 O LEU A 46 1.748 -4.001 -1.637 1.00 0.00 O ATOM 715 CB LEU A 46 -0.925 -2.306 -0.523 1.00 0.00 C ATOM 716 CG LEU A 46 -1.603 -3.244 -1.581 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.668 -4.718 -1.116 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.006 -2.735 -1.957 1.00 0.00 C ATOM 0 H LEU A 46 0.496 -0.862 0.944 1.00 0.00 H new ATOM 0 HA LEU A 46 0.394 -3.692 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.586 -2.233 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.849 -1.307 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.970 -3.215 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.147 -5.322 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.658 -5.089 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.245 -4.783 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.451 -3.405 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.633 -2.705 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.928 -1.733 -2.380 1.00 0.00 H new ATOM 730 N GLY A 47 1.960 -1.733 -1.689 1.00 0.00 N ATOM 731 CA GLY A 47 2.889 -1.706 -2.808 1.00 0.00 C ATOM 732 C GLY A 47 4.250 -2.258 -2.417 1.00 0.00 C ATOM 733 O GLY A 47 4.871 -2.973 -3.199 1.00 0.00 O ATOM 0 H GLY A 47 1.733 -0.812 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.482 -2.290 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.000 -0.682 -3.165 1.00 0.00 H new ATOM 737 N LYS A 48 4.706 -1.919 -1.184 1.00 0.00 N ATOM 738 CA LYS A 48 6.003 -2.377 -0.633 1.00 0.00 C ATOM 739 C LYS A 48 5.995 -3.904 -0.502 1.00 0.00 C ATOM 740 O LYS A 48 7.015 -4.564 -0.717 1.00 0.00 O ATOM 741 CB LYS A 48 6.303 -1.729 0.758 1.00 0.00 C ATOM 742 CG LYS A 48 6.402 -0.179 0.787 1.00 0.00 C ATOM 743 CD LYS A 48 7.542 0.440 -0.071 1.00 0.00 C ATOM 744 CE LYS A 48 8.958 0.229 0.499 1.00 0.00 C ATOM 745 NZ LYS A 48 9.407 -1.184 0.427 1.00 0.00 N ATOM 0 H LYS A 48 4.183 -1.320 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 48 6.789 -2.066 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.522 -2.035 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.241 -2.139 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.452 0.234 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.537 0.139 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.500 0.011 -1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.362 1.510 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.661 0.856 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.979 0.559 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.423 -1.215 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.237 -1.649 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.876 -1.679 -0.318 1.00 0.00 H new ATOM 759 N LEU A 49 4.812 -4.438 -0.158 1.00 0.00 N ATOM 760 CA LEU A 49 4.585 -5.878 -0.020 1.00 0.00 C ATOM 761 C LEU A 49 4.599 -6.554 -1.405 1.00 0.00 C ATOM 762 O LEU A 49 5.164 -7.640 -1.554 1.00 0.00 O ATOM 763 CB LEU A 49 3.254 -6.137 0.735 1.00 0.00 C ATOM 764 CG LEU A 49 2.904 -7.630 1.045 1.00 0.00 C ATOM 765 CD1 LEU A 49 4.085 -8.368 1.722 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.621 -7.722 1.907 1.00 0.00 C ATOM 0 H LEU A 49 3.983 -3.875 0.033 1.00 0.00 H new ATOM 0 HA LEU A 49 5.391 -6.317 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.286 -5.592 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.441 -5.711 0.148 1.00 0.00 H new ATOM 0 HG LEU A 49 2.716 -8.130 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.802 -9.402 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.952 -8.350 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.333 -7.873 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.394 -8.768 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.776 -7.194 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.788 -7.269 1.369 1.00 0.00 H new ATOM 778 N TYR A 50 4.001 -5.883 -2.411 1.00 0.00 N ATOM 779 CA TYR A 50 4.035 -6.337 -3.818 1.00 0.00 C ATOM 780 C TYR A 50 5.488 -6.445 -4.327 1.00 0.00 C ATOM 781 O TYR A 50 5.834 -7.411 -4.999 1.00 0.00 O ATOM 782 CB TYR A 50 3.222 -5.379 -4.734 1.00 0.00 C ATOM 783 CG TYR A 50 1.696 -5.564 -4.709 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.129 -6.839 -4.758 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.823 -4.472 -4.677 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.237 -7.015 -4.771 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.546 -4.651 -4.698 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.071 -5.924 -4.744 1.00 0.00 C ATOM 789 OH TYR A 50 -2.436 -6.107 -4.773 1.00 0.00 O ATOM 0 H TYR A 50 3.483 -5.015 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 50 3.577 -7.325 -3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.449 -4.352 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.568 -5.507 -5.760 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.774 -7.704 -4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.227 -3.471 -4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.653 -8.011 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.204 -3.795 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.884 -5.236 -4.747 1.00 0.00 H new ATOM 799 N GLU A 51 6.328 -5.459 -3.968 1.00 0.00 N ATOM 800 CA GLU A 51 7.760 -5.442 -4.340 1.00 0.00 C ATOM 801 C GLU A 51 8.494 -6.667 -3.762 1.00 0.00 C ATOM 802 O GLU A 51 9.350 -7.245 -4.426 1.00 0.00 O ATOM 803 CB GLU A 51 8.440 -4.155 -3.834 1.00 0.00 C ATOM 804 CG GLU A 51 7.835 -2.849 -4.376 1.00 0.00 C ATOM 805 CD GLU A 51 8.407 -1.582 -3.721 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.832 -1.630 -2.537 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.420 -0.518 -4.363 1.00 0.00 O ATOM 0 H GLU A 51 6.039 -4.653 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 51 7.817 -5.474 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.389 -4.138 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.496 -4.189 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.005 -2.799 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.756 -2.869 -4.225 1.00 0.00 H new ATOM 814 N ARG A 52 8.129 -7.052 -2.520 1.00 0.00 N ATOM 815 CA ARG A 52 8.711 -8.230 -1.840 1.00 0.00 C ATOM 816 C ARG A 52 8.271 -9.538 -2.518 1.00 0.00 C ATOM 817 O ARG A 52 9.049 -10.490 -2.609 1.00 0.00 O ATOM 818 CB ARG A 52 8.322 -8.268 -0.336 1.00 0.00 C ATOM 819 CG ARG A 52 8.803 -7.057 0.489 1.00 0.00 C ATOM 820 CD ARG A 52 8.738 -7.313 2.005 1.00 0.00 C ATOM 821 NE ARG A 52 9.652 -8.406 2.397 1.00 0.00 N ATOM 822 CZ ARG A 52 10.205 -8.578 3.606 1.00 0.00 C ATOM 823 NH1 ARG A 52 9.939 -7.758 4.610 1.00 0.00 N ATOM 824 NH2 ARG A 52 11.047 -9.580 3.801 1.00 0.00 N ATOM 0 H ARG A 52 7.429 -6.560 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 52 9.794 -8.138 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.237 -8.335 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.730 -9.176 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.828 -6.814 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.191 -6.189 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.002 -6.403 2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.717 -7.567 2.291 1.00 0.00 H new ATOM 0 HE ARG A 52 9.884 -9.094 1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.301 -6.974 4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.372 -7.910 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.271 -10.215 3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.472 -9.718 4.718 1.00 0.00 H new ATOM 838 N LEU A 53 7.018 -9.559 -3.006 1.00 0.00 N ATOM 839 CA LEU A 53 6.404 -10.750 -3.640 1.00 0.00 C ATOM 840 C LEU A 53 6.694 -10.807 -5.161 1.00 0.00 C ATOM 841 O LEU A 53 6.106 -11.633 -5.870 1.00 0.00 O ATOM 842 CB LEU A 53 4.870 -10.736 -3.367 1.00 0.00 C ATOM 843 CG LEU A 53 4.436 -10.713 -1.862 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.897 -10.648 -1.721 1.00 0.00 C ATOM 845 CD2 LEU A 53 5.032 -11.907 -1.078 1.00 0.00 C ATOM 0 H LEU A 53 6.397 -8.750 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 53 6.846 -11.645 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.442 -9.863 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.430 -11.616 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 53 4.843 -9.804 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.629 -10.633 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.525 -9.743 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.451 -11.521 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.709 -11.857 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.687 -12.841 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.120 -11.864 -1.122 1.00 0.00 H new ATOM 857 N ASP A 54 7.610 -9.922 -5.641 1.00 0.00 N ATOM 858 CA ASP A 54 8.001 -9.799 -7.076 1.00 0.00 C ATOM 859 C ASP A 54 6.800 -9.405 -7.991 1.00 0.00 C ATOM 860 O ASP A 54 6.859 -9.506 -9.217 1.00 0.00 O ATOM 861 CB ASP A 54 8.731 -11.102 -7.547 1.00 0.00 C ATOM 862 CG ASP A 54 9.364 -11.015 -8.954 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.228 -10.141 -9.169 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.000 -11.814 -9.844 1.00 0.00 O ATOM 0 H ASP A 54 8.104 -9.266 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 54 8.706 -8.973 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.512 -11.345 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.018 -11.926 -7.535 1.00 0.00 H new ATOM 869 N ARG A 55 5.735 -8.886 -7.360 1.00 0.00 N ATOM 870 CA ARG A 55 4.527 -8.377 -8.030 1.00 0.00 C ATOM 871 C ARG A 55 4.692 -6.865 -8.301 1.00 0.00 C ATOM 872 O ARG A 55 3.861 -6.043 -7.893 1.00 0.00 O ATOM 873 CB ARG A 55 3.293 -8.672 -7.130 1.00 0.00 C ATOM 874 CG ARG A 55 3.008 -10.173 -6.890 1.00 0.00 C ATOM 875 CD ARG A 55 2.628 -10.924 -8.179 1.00 0.00 C ATOM 876 NE ARG A 55 1.451 -10.320 -8.835 1.00 0.00 N ATOM 877 CZ ARG A 55 0.597 -10.939 -9.661 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.717 -12.232 -9.938 1.00 0.00 N ATOM 879 NH2 ARG A 55 -0.389 -10.242 -10.205 1.00 0.00 N ATOM 0 H ARG A 55 5.689 -8.807 -6.344 1.00 0.00 H new ATOM 0 HA ARG A 55 4.377 -8.872 -8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.440 -8.186 -6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.413 -8.218 -7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.890 -10.639 -6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.200 -10.273 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.473 -10.916 -8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.418 -11.968 -7.944 1.00 0.00 H new ATOM 0 HE ARG A 55 1.271 -9.335 -8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.472 -12.775 -9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.055 -12.682 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.489 -9.249 -9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.048 -10.698 -10.836 1.00 0.00 H new ATOM 893 N THR A 56 5.781 -6.526 -9.007 1.00 0.00 N ATOM 894 CA THR A 56 6.168 -5.140 -9.302 1.00 0.00 C ATOM 895 C THR A 56 5.107 -4.415 -10.155 1.00 0.00 C ATOM 896 O THR A 56 4.836 -3.249 -9.912 1.00 0.00 O ATOM 897 CB THR A 56 7.561 -5.081 -10.009 1.00 0.00 C ATOM 898 OG1 THR A 56 8.556 -5.713 -9.187 1.00 0.00 O ATOM 899 CG2 THR A 56 8.003 -3.635 -10.311 1.00 0.00 C ATOM 0 H THR A 56 6.425 -7.216 -9.394 1.00 0.00 H new ATOM 0 HA THR A 56 6.240 -4.622 -8.346 1.00 0.00 H new ATOM 0 HB THR A 56 7.460 -5.608 -10.958 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.426 -5.674 -9.637 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.976 -3.647 -10.802 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.272 -3.160 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.074 -3.074 -9.379 1.00 0.00 H new ATOM 907 N ASP A 57 4.475 -5.133 -11.107 1.00 0.00 N ATOM 908 CA ASP A 57 3.403 -4.568 -11.972 1.00 0.00 C ATOM 909 C ASP A 57 2.245 -4.012 -11.118 1.00 0.00 C ATOM 910 O ASP A 57 1.721 -2.914 -11.372 1.00 0.00 O ATOM 911 CB ASP A 57 2.861 -5.653 -12.943 1.00 0.00 C ATOM 912 CG ASP A 57 3.830 -6.005 -14.081 1.00 0.00 C ATOM 913 OD1 ASP A 57 4.837 -6.701 -13.834 1.00 0.00 O ATOM 914 OD2 ASP A 57 3.588 -5.595 -15.234 1.00 0.00 O ATOM 0 H ASP A 57 4.686 -6.112 -11.301 1.00 0.00 H new ATOM 0 HA ASP A 57 3.835 -3.752 -12.552 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.638 -6.557 -12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.921 -5.306 -13.373 1.00 0.00 H new ATOM 919 N ASP A 58 1.905 -4.784 -10.083 1.00 0.00 N ATOM 920 CA ASP A 58 0.836 -4.466 -9.135 1.00 0.00 C ATOM 921 C ASP A 58 1.274 -3.309 -8.231 1.00 0.00 C ATOM 922 O ASP A 58 0.468 -2.458 -7.882 1.00 0.00 O ATOM 923 CB ASP A 58 0.509 -5.706 -8.268 1.00 0.00 C ATOM 924 CG ASP A 58 0.187 -6.960 -9.085 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.118 -7.526 -9.699 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.980 -7.397 -9.112 1.00 0.00 O ATOM 0 H ASP A 58 2.375 -5.665 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.055 -4.175 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.356 -5.916 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.340 -5.475 -7.624 1.00 0.00 H new ATOM 931 N ALA A 59 2.580 -3.306 -7.867 1.00 0.00 N ATOM 932 CA ALA A 59 3.191 -2.256 -7.030 1.00 0.00 C ATOM 933 C ALA A 59 3.067 -0.880 -7.708 1.00 0.00 C ATOM 934 O ALA A 59 2.551 0.054 -7.100 1.00 0.00 O ATOM 935 CB ALA A 59 4.668 -2.582 -6.717 1.00 0.00 C ATOM 0 H ALA A 59 3.236 -4.035 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 59 2.649 -2.222 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.092 -1.791 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.726 -3.530 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.230 -2.655 -7.648 1.00 0.00 H new ATOM 941 N ILE A 60 3.506 -0.785 -8.984 1.00 0.00 N ATOM 942 CA ILE A 60 3.488 0.473 -9.779 1.00 0.00 C ATOM 943 C ILE A 60 2.050 1.023 -9.894 1.00 0.00 C ATOM 944 O ILE A 60 1.832 2.234 -9.814 1.00 0.00 O ATOM 945 CB ILE A 60 4.083 0.274 -11.236 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.454 -0.473 -11.201 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.223 1.629 -11.982 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.537 0.183 -10.366 1.00 0.00 C ATOM 0 H ILE A 60 3.885 -1.581 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 60 4.119 1.185 -9.247 1.00 0.00 H new ATOM 0 HB ILE A 60 3.375 -0.346 -11.786 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.288 -1.481 -10.821 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.819 -0.573 -12.223 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.633 1.456 -12.977 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.243 2.099 -12.070 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.891 2.285 -11.423 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.445 -0.418 -10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.742 1.181 -10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.203 0.258 -9.331 1.00 0.00 H new ATOM 960 N ASP A 61 1.089 0.096 -10.063 1.00 0.00 N ATOM 961 CA ASP A 61 -0.355 0.403 -10.115 1.00 0.00 C ATOM 962 C ASP A 61 -0.843 0.994 -8.775 1.00 0.00 C ATOM 963 O ASP A 61 -1.547 2.009 -8.749 1.00 0.00 O ATOM 964 CB ASP A 61 -1.154 -0.889 -10.448 1.00 0.00 C ATOM 965 CG ASP A 61 -2.684 -0.708 -10.357 1.00 0.00 C ATOM 966 OD1 ASP A 61 -3.282 -0.156 -11.302 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.292 -1.126 -9.343 1.00 0.00 O ATOM 0 H ASP A 61 1.294 -0.898 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.522 1.146 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.894 -1.218 -11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.849 -1.682 -9.765 1.00 0.00 H new ATOM 972 N THR A 62 -0.454 0.330 -7.673 1.00 0.00 N ATOM 973 CA THR A 62 -0.870 0.692 -6.304 1.00 0.00 C ATOM 974 C THR A 62 -0.281 2.056 -5.890 1.00 0.00 C ATOM 975 O THR A 62 -0.933 2.844 -5.199 1.00 0.00 O ATOM 976 CB THR A 62 -0.461 -0.439 -5.294 1.00 0.00 C ATOM 977 OG1 THR A 62 -1.087 -1.677 -5.684 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.859 -0.130 -3.845 1.00 0.00 C ATOM 0 H THR A 62 0.164 -0.481 -7.706 1.00 0.00 H new ATOM 0 HA THR A 62 -1.956 0.787 -6.285 1.00 0.00 H new ATOM 0 HB THR A 62 0.626 -0.510 -5.329 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.610 -2.058 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.548 -0.951 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.372 0.790 -3.522 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.941 -0.009 -3.783 1.00 0.00 H new ATOM 986 N TYR A 63 0.951 2.329 -6.340 1.00 0.00 N ATOM 987 CA TYR A 63 1.623 3.609 -6.086 1.00 0.00 C ATOM 988 C TYR A 63 1.009 4.717 -6.936 1.00 0.00 C ATOM 989 O TYR A 63 0.856 5.810 -6.447 1.00 0.00 O ATOM 990 CB TYR A 63 3.139 3.510 -6.348 1.00 0.00 C ATOM 991 CG TYR A 63 3.883 2.607 -5.361 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.696 2.742 -3.990 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.771 1.626 -5.800 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.362 1.939 -3.100 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.436 0.827 -4.912 1.00 0.00 C ATOM 996 CZ TYR A 63 5.227 0.987 -3.571 1.00 0.00 C ATOM 997 OH TYR A 63 5.908 0.210 -2.691 1.00 0.00 O ATOM 0 H TYR A 63 1.507 1.672 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 63 1.479 3.854 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.299 3.136 -7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.571 4.510 -6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.014 3.493 -3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.936 1.495 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.206 2.056 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.123 0.073 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 63 5.541 0.336 -1.791 1.00 0.00 H new ATOM 1007 N ALA A 64 0.695 4.412 -8.210 1.00 0.00 N ATOM 1008 CA ALA A 64 0.028 5.353 -9.141 1.00 0.00 C ATOM 1009 C ALA A 64 -1.326 5.838 -8.575 1.00 0.00 C ATOM 1010 O ALA A 64 -1.630 7.036 -8.602 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.154 4.691 -10.520 1.00 0.00 C ATOM 0 H ALA A 64 0.896 3.503 -8.627 1.00 0.00 H new ATOM 0 HA ALA A 64 0.664 6.231 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.645 5.390 -11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.821 4.418 -10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.767 3.796 -10.416 1.00 0.00 H new ATOM 1017 N GLN A 65 -2.112 4.880 -8.051 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.369 5.156 -7.323 1.00 0.00 C ATOM 1019 C GLN A 65 -3.097 5.979 -6.056 1.00 0.00 C ATOM 1020 O GLN A 65 -3.842 6.915 -5.733 1.00 0.00 O ATOM 1021 CB GLN A 65 -4.089 3.826 -6.954 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.774 3.097 -8.132 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.199 3.592 -8.471 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.031 2.811 -8.934 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.499 4.873 -8.286 1.00 0.00 N ATOM 0 H GLN A 65 -1.894 3.886 -8.120 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.018 5.736 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.361 3.151 -6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.840 4.038 -6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.149 3.204 -9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.821 2.033 -7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.801 5.510 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.427 5.220 -8.528 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.020 5.588 -5.356 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.570 6.258 -4.146 1.00 0.00 C ATOM 1036 C GLY A 66 -1.210 7.720 -4.357 1.00 0.00 C ATOM 1037 O GLY A 66 -1.541 8.551 -3.529 1.00 0.00 O ATOM 0 H GLY A 66 -1.440 4.793 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.353 6.191 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.701 5.732 -3.751 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.520 8.010 -5.465 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.048 9.358 -5.836 1.00 0.00 C ATOM 1043 C ILE A 67 -1.208 10.355 -5.952 1.00 0.00 C ATOM 1044 O ILE A 67 -1.136 11.451 -5.389 1.00 0.00 O ATOM 1045 CB ILE A 67 0.762 9.280 -7.190 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.125 8.550 -6.955 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.982 10.662 -7.859 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.872 8.204 -8.222 1.00 0.00 C ATOM 0 H ILE A 67 -0.265 7.298 -6.150 1.00 0.00 H new ATOM 0 HA ILE A 67 0.607 9.722 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 67 0.154 8.705 -7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.760 9.182 -6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.941 7.634 -6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.545 10.533 -8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.017 11.116 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.540 11.309 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.805 7.701 -7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.260 7.545 -8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.091 9.117 -8.776 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.272 9.929 -6.652 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.481 10.743 -6.884 1.00 0.00 C ATOM 1062 C GLU A 68 -4.077 11.213 -5.555 1.00 0.00 C ATOM 1063 O GLU A 68 -4.419 12.383 -5.371 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.531 9.901 -7.658 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.022 9.328 -8.996 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.034 8.392 -9.673 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.883 8.873 -10.451 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.014 7.173 -9.416 1.00 0.00 O ATOM 0 H GLU A 68 -2.320 9.003 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.206 11.619 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.858 9.077 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.406 10.521 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.788 10.151 -9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.093 8.785 -8.822 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.176 10.259 -4.629 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.793 10.468 -3.319 1.00 0.00 C ATOM 1077 C VAL A 69 -3.807 11.043 -2.283 1.00 0.00 C ATOM 1078 O VAL A 69 -4.227 11.613 -1.290 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.491 9.153 -2.825 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.498 8.649 -3.893 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.484 8.044 -2.462 1.00 0.00 C ATOM 0 H VAL A 69 -3.827 9.311 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.565 11.229 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.028 9.399 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.977 7.736 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.256 9.412 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.969 8.445 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.023 7.158 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.886 7.795 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.830 8.394 -1.664 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.488 10.887 -2.509 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.443 11.367 -1.574 1.00 0.00 C ATOM 1093 C ALA A 70 -1.298 12.880 -1.650 1.00 0.00 C ATOM 1094 O ALA A 70 -1.209 13.562 -0.633 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.095 10.705 -1.862 1.00 0.00 C ATOM 0 H ALA A 70 -2.115 10.427 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.758 11.092 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.651 11.078 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.189 9.625 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.216 10.940 -2.880 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.237 13.384 -2.888 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.095 14.823 -3.157 1.00 0.00 C ATOM 1103 C ARG A 71 -2.327 15.616 -2.676 1.00 0.00 C ATOM 1104 O ARG A 71 -2.179 16.732 -2.170 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.798 15.072 -4.662 1.00 0.00 C ATOM 1106 CG ARG A 71 -1.856 14.530 -5.639 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.401 14.605 -7.106 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.380 13.995 -8.027 1.00 0.00 N ATOM 1109 CZ ARG A 71 -2.073 13.270 -9.122 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -0.812 13.016 -9.440 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -3.043 12.797 -9.889 1.00 0.00 N ATOM 0 H ARG A 71 -1.284 12.810 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.243 15.190 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.695 16.145 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.163 14.620 -4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.082 13.494 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.779 15.097 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.245 15.648 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.441 14.100 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.369 14.133 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.057 13.370 -8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.597 12.466 -10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.017 12.981 -9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.816 12.248 -10.718 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.533 15.036 -2.835 1.00 0.00 N ATOM 1126 CA GLU A 72 -4.801 15.706 -2.471 1.00 0.00 C ATOM 1127 C GLU A 72 -5.237 15.424 -1.011 1.00 0.00 C ATOM 1128 O GLU A 72 -5.466 16.355 -0.237 1.00 0.00 O ATOM 1129 CB GLU A 72 -5.908 15.272 -3.460 1.00 0.00 C ATOM 1130 CG GLU A 72 -5.611 15.627 -4.931 1.00 0.00 C ATOM 1131 CD GLU A 72 -6.754 15.258 -5.880 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.700 16.062 -6.034 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -6.733 14.153 -6.460 1.00 0.00 O ATOM 0 H GLU A 72 -3.657 14.098 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.636 16.781 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.051 14.194 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.847 15.741 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.414 16.696 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.704 15.112 -5.247 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.344 14.134 -0.653 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.949 13.686 0.627 1.00 0.00 C ATOM 1142 C GLU A 73 -4.888 13.542 1.738 1.00 0.00 C ATOM 1143 O GLU A 73 -5.116 13.975 2.874 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.709 12.341 0.420 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.689 12.339 -0.776 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.786 13.412 -0.672 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.787 13.180 0.034 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.649 14.493 -1.278 1.00 0.00 O ATOM 0 H GLU A 73 -5.015 13.366 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.658 14.450 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.980 11.544 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.263 12.107 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.126 12.494 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.158 11.358 -0.850 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.735 12.931 1.401 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.632 12.734 2.359 1.00 0.00 C ATOM 1157 C GLY A 74 -1.660 13.908 2.339 1.00 0.00 C ATOM 1158 O GLY A 74 -2.060 15.025 2.008 1.00 0.00 O ATOM 0 H GLY A 74 -3.544 12.565 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.038 12.613 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.099 11.814 2.118 1.00 0.00 H new ATOM 1162 N THR A 75 -0.384 13.672 2.694 1.00 0.00 N ATOM 1163 CA THR A 75 0.664 14.724 2.658 1.00 0.00 C ATOM 1164 C THR A 75 1.721 14.419 1.577 1.00 0.00 C ATOM 1165 O THR A 75 1.727 13.327 0.989 1.00 0.00 O ATOM 1166 CB THR A 75 1.357 14.878 4.052 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.007 13.657 4.422 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.354 15.283 5.153 1.00 0.00 C ATOM 0 H THR A 75 -0.047 12.763 3.010 1.00 0.00 H new ATOM 0 HA THR A 75 0.172 15.664 2.408 1.00 0.00 H new ATOM 0 HB THR A 75 2.096 15.674 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.406 12.902 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.877 15.379 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.105 16.237 4.894 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.419 14.520 5.239 1.00 0.00 H new ATOM 1176 N GLN A 76 2.627 15.395 1.339 1.00 0.00 N ATOM 1177 CA GLN A 76 3.755 15.255 0.391 1.00 0.00 C ATOM 1178 C GLN A 76 4.759 14.195 0.879 1.00 0.00 C ATOM 1179 O GLN A 76 5.455 13.591 0.071 1.00 0.00 O ATOM 1180 CB GLN A 76 4.453 16.632 0.176 1.00 0.00 C ATOM 1181 CG GLN A 76 5.669 16.609 -0.788 1.00 0.00 C ATOM 1182 CD GLN A 76 6.340 17.973 -1.002 1.00 0.00 C ATOM 1183 OE1 GLN A 76 7.249 18.361 -0.268 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.914 18.703 -2.023 1.00 0.00 N ATOM 0 H GLN A 76 2.596 16.304 1.801 1.00 0.00 H new ATOM 0 HA GLN A 76 3.360 14.917 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.718 17.339 -0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.783 17.010 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.411 15.911 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.343 16.223 -1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.159 18.359 -2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.341 19.609 -2.215 1.00 0.00 H new ATOM 1193 N LYS A 77 4.805 13.982 2.208 1.00 0.00 N ATOM 1194 CA LYS A 77 5.605 12.910 2.833 1.00 0.00 C ATOM 1195 C LYS A 77 5.234 11.547 2.211 1.00 0.00 C ATOM 1196 O LYS A 77 6.107 10.799 1.746 1.00 0.00 O ATOM 1197 CB LYS A 77 5.325 12.868 4.364 1.00 0.00 C ATOM 1198 CG LYS A 77 6.150 11.800 5.152 1.00 0.00 C ATOM 1199 CD LYS A 77 5.429 11.285 6.425 1.00 0.00 C ATOM 1200 CE LYS A 77 4.157 10.485 6.085 1.00 0.00 C ATOM 1201 NZ LYS A 77 3.444 10.022 7.299 1.00 0.00 N ATOM 0 H LYS A 77 4.288 14.549 2.880 1.00 0.00 H new ATOM 0 HA LYS A 77 6.662 13.112 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.535 13.851 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.264 12.674 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.360 10.956 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.111 12.230 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.110 10.656 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.166 12.131 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.489 11.105 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.425 9.624 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.595 9.489 7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.071 9.408 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.164 10.844 7.872 1.00 0.00 H new ATOM 1215 N ASP A 78 3.910 11.285 2.164 1.00 0.00 N ATOM 1216 CA ASP A 78 3.346 10.048 1.595 1.00 0.00 C ATOM 1217 C ASP A 78 3.624 9.999 0.095 1.00 0.00 C ATOM 1218 O ASP A 78 4.075 8.978 -0.423 1.00 0.00 O ATOM 1219 CB ASP A 78 1.814 9.965 1.838 1.00 0.00 C ATOM 1220 CG ASP A 78 1.427 9.981 3.325 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.605 8.955 4.009 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.931 11.019 3.820 1.00 0.00 O ATOM 0 H ASP A 78 3.203 11.928 2.521 1.00 0.00 H new ATOM 0 HA ASP A 78 3.820 9.200 2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.329 10.802 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.431 9.053 1.381 1.00 0.00 H new ATOM 1227 N LEU A 79 3.372 11.143 -0.575 1.00 0.00 N ATOM 1228 CA LEU A 79 3.527 11.294 -2.033 1.00 0.00 C ATOM 1229 C LEU A 79 4.964 10.969 -2.486 1.00 0.00 C ATOM 1230 O LEU A 79 5.162 10.314 -3.510 1.00 0.00 O ATOM 1231 CB LEU A 79 3.140 12.738 -2.456 1.00 0.00 C ATOM 1232 CG LEU A 79 3.131 13.027 -3.989 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.099 12.151 -4.717 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.891 14.524 -4.274 1.00 0.00 C ATOM 0 H LEU A 79 3.052 11.994 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 79 2.860 10.583 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.148 12.957 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.833 13.432 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 79 4.116 12.769 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.118 12.377 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.342 11.099 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.104 12.355 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.890 14.694 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.929 14.824 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.684 15.114 -3.814 1.00 0.00 H new ATOM 1246 N SER A 80 5.952 11.407 -1.682 1.00 0.00 N ATOM 1247 CA SER A 80 7.382 11.200 -1.957 1.00 0.00 C ATOM 1248 C SER A 80 7.742 9.713 -1.855 1.00 0.00 C ATOM 1249 O SER A 80 8.503 9.203 -2.674 1.00 0.00 O ATOM 1250 CB SER A 80 8.244 12.034 -0.979 1.00 0.00 C ATOM 1251 OG SER A 80 7.969 13.417 -1.104 1.00 0.00 O ATOM 0 H SER A 80 5.776 11.918 -0.817 1.00 0.00 H new ATOM 0 HA SER A 80 7.589 11.533 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.050 11.713 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.301 11.852 -1.175 1.00 0.00 H new ATOM 0 HG SER A 80 7.089 13.612 -0.719 1.00 0.00 H new ATOM 1257 N GLU A 81 7.153 9.034 -0.851 1.00 0.00 N ATOM 1258 CA GLU A 81 7.356 7.592 -0.625 1.00 0.00 C ATOM 1259 C GLU A 81 6.799 6.748 -1.783 1.00 0.00 C ATOM 1260 O GLU A 81 7.443 5.801 -2.235 1.00 0.00 O ATOM 1261 CB GLU A 81 6.694 7.164 0.712 1.00 0.00 C ATOM 1262 CG GLU A 81 7.325 7.793 1.962 1.00 0.00 C ATOM 1263 CD GLU A 81 8.841 7.550 2.040 1.00 0.00 C ATOM 1264 OE1 GLU A 81 9.254 6.381 2.223 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.626 8.515 1.886 1.00 0.00 O ATOM 0 H GLU A 81 6.525 9.470 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 81 8.430 7.414 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.637 7.429 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.748 6.079 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.131 8.866 1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.848 7.383 2.852 1.00 0.00 H new ATOM 1272 N LEU A 82 5.601 7.113 -2.242 1.00 0.00 N ATOM 1273 CA LEU A 82 4.876 6.375 -3.294 1.00 0.00 C ATOM 1274 C LEU A 82 5.557 6.536 -4.665 1.00 0.00 C ATOM 1275 O LEU A 82 5.758 5.554 -5.384 1.00 0.00 O ATOM 1276 CB LEU A 82 3.414 6.874 -3.331 1.00 0.00 C ATOM 1277 CG LEU A 82 2.627 6.646 -2.002 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.325 7.446 -1.967 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.359 5.155 -1.756 1.00 0.00 C ATOM 0 H LEU A 82 5.099 7.931 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 82 4.890 5.310 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.411 7.939 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.890 6.369 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 82 3.259 7.012 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.808 7.259 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.549 8.509 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.688 7.141 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.810 5.033 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.770 4.751 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.307 4.621 -1.691 1.00 0.00 H new ATOM 1291 N GLN A 83 5.928 7.793 -4.990 1.00 0.00 N ATOM 1292 CA GLN A 83 6.646 8.145 -6.235 1.00 0.00 C ATOM 1293 C GLN A 83 8.050 7.510 -6.271 1.00 0.00 C ATOM 1294 O GLN A 83 8.479 7.025 -7.323 1.00 0.00 O ATOM 1295 CB GLN A 83 6.720 9.694 -6.408 1.00 0.00 C ATOM 1296 CG GLN A 83 5.355 10.342 -6.717 1.00 0.00 C ATOM 1297 CD GLN A 83 5.344 11.873 -6.799 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.575 12.460 -7.568 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.144 12.539 -5.983 1.00 0.00 N ATOM 0 H GLN A 83 5.737 8.597 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 83 6.084 7.738 -7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.125 10.135 -5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.416 9.929 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.992 9.944 -7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.646 10.033 -5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.770 12.033 -5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.135 13.559 -5.980 1.00 0.00 H new ATOM 1308 N ASP A 84 8.735 7.489 -5.111 1.00 0.00 N ATOM 1309 CA ASP A 84 10.088 6.899 -4.987 1.00 0.00 C ATOM 1310 C ASP A 84 10.048 5.384 -5.191 1.00 0.00 C ATOM 1311 O ASP A 84 10.819 4.834 -5.987 1.00 0.00 O ATOM 1312 CB ASP A 84 10.710 7.210 -3.605 1.00 0.00 C ATOM 1313 CG ASP A 84 12.054 6.491 -3.362 1.00 0.00 C ATOM 1314 OD1 ASP A 84 13.088 6.951 -3.888 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.077 5.455 -2.659 1.00 0.00 O ATOM 0 H ASP A 84 8.373 7.876 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 84 10.706 7.349 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.861 8.286 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.006 6.922 -2.825 1.00 0.00 H new ATOM 1320 N ALA A 85 9.148 4.728 -4.453 1.00 0.00 N ATOM 1321 CA ALA A 85 9.060 3.270 -4.414 1.00 0.00 C ATOM 1322 C ALA A 85 8.703 2.681 -5.793 1.00 0.00 C ATOM 1323 O ALA A 85 9.254 1.649 -6.172 1.00 0.00 O ATOM 1324 CB ALA A 85 8.079 2.836 -3.324 1.00 0.00 C ATOM 0 H ALA A 85 8.459 5.197 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 85 10.042 2.869 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.019 1.748 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.425 3.201 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.093 3.250 -3.536 1.00 0.00 H new ATOM 1330 N LYS A 86 7.802 3.349 -6.549 1.00 0.00 N ATOM 1331 CA LYS A 86 7.459 2.903 -7.919 1.00 0.00 C ATOM 1332 C LYS A 86 8.637 3.089 -8.890 1.00 0.00 C ATOM 1333 O LYS A 86 8.913 2.183 -9.664 1.00 0.00 O ATOM 1334 CB LYS A 86 6.189 3.590 -8.491 1.00 0.00 C ATOM 1335 CG LYS A 86 6.265 5.119 -8.598 1.00 0.00 C ATOM 1336 CD LYS A 86 5.072 5.741 -9.348 1.00 0.00 C ATOM 1337 CE LYS A 86 5.019 5.350 -10.832 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.031 6.165 -11.576 1.00 0.00 N ATOM 0 H LYS A 86 7.306 4.185 -6.240 1.00 0.00 H new ATOM 0 HA LYS A 86 7.238 1.840 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.990 3.182 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.339 3.328 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.315 5.544 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.188 5.394 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.146 5.431 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.126 6.827 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.006 5.477 -11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.762 4.295 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.022 5.874 -12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.086 6.024 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.291 7.170 -11.511 1.00 0.00 H new ATOM 1352 N LEU A 87 9.331 4.257 -8.856 1.00 0.00 N ATOM 1353 CA LEU A 87 10.426 4.538 -9.822 1.00 0.00 C ATOM 1354 C LEU A 87 11.639 3.622 -9.573 1.00 0.00 C ATOM 1355 O LEU A 87 12.326 3.245 -10.515 1.00 0.00 O ATOM 1356 CB LEU A 87 10.811 6.064 -9.873 1.00 0.00 C ATOM 1357 CG LEU A 87 11.399 6.759 -8.589 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.888 6.437 -8.343 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.184 8.296 -8.631 1.00 0.00 C ATOM 0 H LEU A 87 9.157 5.005 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 87 10.048 4.301 -10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.538 6.191 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.917 6.617 -10.163 1.00 0.00 H new ATOM 0 HG LEU A 87 10.843 6.342 -7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.227 6.949 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.012 5.361 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.479 6.773 -9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.601 8.746 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.683 8.709 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.117 8.513 -8.684 1.00 0.00 H new ATOM 1371 N LYS A 88 11.894 3.259 -8.302 1.00 0.00 N ATOM 1372 CA LYS A 88 12.987 2.329 -7.951 1.00 0.00 C ATOM 1373 C LYS A 88 12.586 0.883 -8.325 1.00 0.00 C ATOM 1374 O LYS A 88 13.440 0.070 -8.692 1.00 0.00 O ATOM 1375 CB LYS A 88 13.366 2.486 -6.443 1.00 0.00 C ATOM 1376 CG LYS A 88 12.413 1.817 -5.416 1.00 0.00 C ATOM 1377 CD LYS A 88 12.880 0.400 -4.984 1.00 0.00 C ATOM 1378 CE LYS A 88 11.760 -0.429 -4.346 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.070 0.291 -3.246 1.00 0.00 N ATOM 0 H LYS A 88 11.359 3.595 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 88 13.881 2.571 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.366 2.076 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.421 3.550 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.336 2.452 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.414 1.748 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.267 -0.130 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.703 0.495 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.032 -0.699 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.177 -1.360 -3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.097 -0.287 -2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.548 1.198 -3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.081 0.467 -3.514 1.00 0.00 H new ATOM 1393 N ALA A 89 11.272 0.575 -8.232 1.00 0.00 N ATOM 1394 CA ALA A 89 10.710 -0.720 -8.666 1.00 0.00 C ATOM 1395 C ALA A 89 10.685 -0.821 -10.208 1.00 0.00 C ATOM 1396 O ALA A 89 10.736 -1.923 -10.765 1.00 0.00 O ATOM 1397 CB ALA A 89 9.311 -0.921 -8.058 1.00 0.00 C ATOM 0 H ALA A 89 10.575 1.217 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 89 11.352 -1.522 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.906 -1.879 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.382 -0.909 -6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.652 -0.118 -8.388 1.00 0.00 H new ATOM 1403 N GLU A 90 10.633 0.345 -10.885 1.00 0.00 N ATOM 1404 CA GLU A 90 10.876 0.443 -12.337 1.00 0.00 C ATOM 1405 C GLU A 90 12.343 0.104 -12.617 1.00 0.00 C ATOM 1406 O GLU A 90 12.654 -0.580 -13.577 1.00 0.00 O ATOM 1407 CB GLU A 90 10.520 1.859 -12.874 1.00 0.00 C ATOM 1408 CG GLU A 90 9.013 2.171 -12.892 1.00 0.00 C ATOM 1409 CD GLU A 90 8.252 1.370 -13.958 1.00 0.00 C ATOM 1410 OE1 GLU A 90 8.226 1.798 -15.131 1.00 0.00 O ATOM 1411 OE2 GLU A 90 7.687 0.303 -13.644 1.00 0.00 O ATOM 0 H GLU A 90 10.423 1.240 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 90 10.233 -0.267 -12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.026 2.605 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.912 1.960 -13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.590 1.955 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.869 3.236 -13.073 1.00 0.00 H new ATOM 1418 N GLY A 91 13.237 0.529 -11.708 1.00 0.00 N ATOM 1419 CA GLY A 91 14.658 0.169 -11.764 1.00 0.00 C ATOM 1420 C GLY A 91 14.923 -1.339 -11.774 1.00 0.00 C ATOM 1421 O GLY A 91 16.035 -1.771 -12.066 1.00 0.00 O ATOM 0 H GLY A 91 12.994 1.128 -10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.098 0.610 -12.658 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.167 0.610 -10.907 1.00 0.00 H new ATOM 1425 N LEU A 92 13.889 -2.134 -11.438 1.00 0.00 N ATOM 1426 CA LEU A 92 13.914 -3.602 -11.528 1.00 0.00 C ATOM 1427 C LEU A 92 13.467 -4.074 -12.934 1.00 0.00 C ATOM 1428 O LEU A 92 14.278 -4.580 -13.713 1.00 0.00 O ATOM 1429 CB LEU A 92 12.984 -4.211 -10.435 1.00 0.00 C ATOM 1430 CG LEU A 92 13.293 -3.791 -8.964 1.00 0.00 C ATOM 1431 CD1 LEU A 92 12.287 -4.421 -7.971 1.00 0.00 C ATOM 1432 CD2 LEU A 92 14.753 -4.126 -8.583 1.00 0.00 C ATOM 0 H LEU A 92 13.002 -1.767 -11.092 1.00 0.00 H new ATOM 0 HA LEU A 92 14.936 -3.945 -11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.956 -3.931 -10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.041 -5.297 -10.502 1.00 0.00 H new ATOM 0 HG LEU A 92 13.176 -2.709 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.532 -4.107 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.277 -4.093 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.342 -5.508 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.939 -3.822 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.917 -5.199 -8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.434 -3.593 -9.247 1.00 0.00 H new ATOM 1444 N GLU A 93 12.179 -3.843 -13.258 1.00 0.00 N ATOM 1445 CA GLU A 93 11.499 -4.503 -14.403 1.00 0.00 C ATOM 1446 C GLU A 93 11.606 -3.724 -15.733 1.00 0.00 C ATOM 1447 O GLU A 93 11.457 -4.322 -16.808 1.00 0.00 O ATOM 1448 CB GLU A 93 10.013 -4.747 -14.049 1.00 0.00 C ATOM 1449 CG GLU A 93 9.780 -5.637 -12.811 1.00 0.00 C ATOM 1450 CD GLU A 93 10.401 -7.041 -12.921 1.00 0.00 C ATOM 1451 OE1 GLU A 93 9.748 -7.955 -13.466 1.00 0.00 O ATOM 1452 OE2 GLU A 93 11.549 -7.230 -12.468 1.00 0.00 O ATOM 0 H GLU A 93 11.580 -3.199 -12.741 1.00 0.00 H new ATOM 0 HA GLU A 93 12.017 -5.448 -14.568 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.531 -3.784 -13.882 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.521 -5.206 -14.906 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.192 -5.137 -11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.707 -5.738 -12.646 1.00 0.00 H new ATOM 1459 N HIS A 94 11.838 -2.398 -15.651 1.00 0.00 N ATOM 1460 CA HIS A 94 11.985 -1.516 -16.844 1.00 0.00 C ATOM 1461 C HIS A 94 13.220 -1.931 -17.669 1.00 0.00 C ATOM 1462 O HIS A 94 13.244 -1.776 -18.897 1.00 0.00 O ATOM 1463 CB HIS A 94 12.074 -0.032 -16.421 1.00 0.00 C ATOM 1464 CG HIS A 94 11.968 0.949 -17.547 1.00 0.00 C ATOM 1465 ND1 HIS A 94 13.061 1.456 -18.212 1.00 0.00 N ATOM 1466 CD2 HIS A 94 10.884 1.510 -18.124 1.00 0.00 C ATOM 1467 CE1 HIS A 94 12.654 2.292 -19.141 1.00 0.00 C ATOM 1468 NE2 HIS A 94 11.340 2.342 -19.107 1.00 0.00 N ATOM 0 H HIS A 94 11.930 -1.903 -14.764 1.00 0.00 H new ATOM 0 HA HIS A 94 11.101 -1.632 -17.471 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.281 0.174 -15.702 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.021 0.128 -15.906 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.852 1.334 -17.859 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.290 2.844 -19.817 1.00 0.00 H new ATOM 0 HE2 HIS A 94 10.754 2.912 -19.718 1.00 0.00 H new ATOM 1477 N HIS A 95 14.239 -2.455 -16.954 1.00 0.00 N ATOM 1478 CA HIS A 95 15.371 -3.184 -17.549 1.00 0.00 C ATOM 1479 C HIS A 95 14.852 -4.556 -18.027 1.00 0.00 C ATOM 1480 O HIS A 95 14.960 -5.562 -17.315 1.00 0.00 O ATOM 1481 CB HIS A 95 16.527 -3.330 -16.513 1.00 0.00 C ATOM 1482 CG HIS A 95 17.731 -4.105 -17.000 1.00 0.00 C ATOM 1483 ND1 HIS A 95 17.999 -5.398 -16.600 1.00 0.00 N ATOM 1484 CD2 HIS A 95 18.740 -3.762 -17.833 1.00 0.00 C ATOM 1485 CE1 HIS A 95 19.114 -5.813 -17.157 1.00 0.00 C ATOM 1486 NE2 HIS A 95 19.580 -4.838 -17.913 1.00 0.00 N ATOM 0 H HIS A 95 14.296 -2.381 -15.938 1.00 0.00 H new ATOM 0 HA HIS A 95 15.779 -2.637 -18.399 1.00 0.00 H new ATOM 0 HB2 HIS A 95 16.853 -2.334 -16.213 1.00 0.00 H new ATOM 0 HB3 HIS A 95 16.135 -3.820 -15.621 1.00 0.00 H new ATOM 0 HD2 HIS A 95 18.860 -2.816 -18.340 1.00 0.00 H new ATOM 0 HE1 HIS A 95 19.569 -6.783 -17.020 1.00 0.00 H new ATOM 0 HE2 HIS A 95 20.433 -4.880 -18.470 1.00 0.00 H new ATOM 1495 N HIS A 96 14.188 -4.544 -19.203 1.00 0.00 N ATOM 1496 CA HIS A 96 13.586 -5.744 -19.811 1.00 0.00 C ATOM 1497 C HIS A 96 14.691 -6.715 -20.260 1.00 0.00 C ATOM 1498 O HIS A 96 15.617 -6.316 -20.964 1.00 0.00 O ATOM 1499 CB HIS A 96 12.624 -5.357 -20.990 1.00 0.00 C ATOM 1500 CG HIS A 96 13.182 -4.416 -22.049 1.00 0.00 C ATOM 1501 ND1 HIS A 96 12.689 -3.141 -22.255 1.00 0.00 N ATOM 1502 CD2 HIS A 96 14.143 -4.584 -22.993 1.00 0.00 C ATOM 1503 CE1 HIS A 96 13.315 -2.582 -23.270 1.00 0.00 C ATOM 1504 NE2 HIS A 96 14.198 -3.437 -23.735 1.00 0.00 N ATOM 0 H HIS A 96 14.056 -3.698 -19.757 1.00 0.00 H new ATOM 0 HA HIS A 96 12.977 -6.253 -19.064 1.00 0.00 H new ATOM 0 HB2 HIS A 96 12.306 -6.275 -21.484 1.00 0.00 H new ATOM 0 HB3 HIS A 96 11.732 -4.899 -20.564 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.753 -5.464 -23.133 1.00 0.00 H new ATOM 0 HE1 HIS A 96 13.133 -1.589 -23.655 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.824 -3.271 -24.523 1.00 0.00 H new ATOM 1513 N HIS A 97 14.626 -7.965 -19.781 1.00 0.00 N ATOM 1514 CA HIS A 97 15.568 -9.020 -20.182 1.00 0.00 C ATOM 1515 C HIS A 97 15.183 -9.538 -21.574 1.00 0.00 C ATOM 1516 O HIS A 97 15.998 -9.518 -22.505 1.00 0.00 O ATOM 1517 CB HIS A 97 15.579 -10.174 -19.145 1.00 0.00 C ATOM 1518 CG HIS A 97 16.637 -11.218 -19.409 1.00 0.00 C ATOM 1519 ND1 HIS A 97 16.358 -12.500 -19.833 1.00 0.00 N ATOM 1520 CD2 HIS A 97 17.987 -11.151 -19.315 1.00 0.00 C ATOM 1521 CE1 HIS A 97 17.481 -13.167 -19.989 1.00 0.00 C ATOM 1522 NE2 HIS A 97 18.484 -12.373 -19.683 1.00 0.00 N ATOM 0 H HIS A 97 13.923 -8.272 -19.109 1.00 0.00 H new ATOM 0 HA HIS A 97 16.575 -8.606 -20.221 1.00 0.00 H new ATOM 0 HB2 HIS A 97 15.735 -9.755 -18.151 1.00 0.00 H new ATOM 0 HB3 HIS A 97 14.601 -10.655 -19.139 1.00 0.00 H new ATOM 0 HD2 HIS A 97 18.565 -10.292 -19.007 1.00 0.00 H new ATOM 0 HE1 HIS A 97 17.565 -14.194 -20.314 1.00 0.00 H new ATOM 0 HE2 HIS A 97 19.472 -12.626 -19.715 1.00 0.00 H new ATOM 1531 N HIS A 98 13.919 -9.976 -21.693 1.00 0.00 N ATOM 1532 CA HIS A 98 13.337 -10.473 -22.945 1.00 0.00 C ATOM 1533 C HIS A 98 11.813 -10.592 -22.780 1.00 0.00 C ATOM 1534 O HIS A 98 11.339 -11.024 -21.726 1.00 0.00 O ATOM 1535 CB HIS A 98 13.949 -11.848 -23.328 1.00 0.00 C ATOM 1536 CG HIS A 98 13.524 -12.353 -24.679 1.00 0.00 C ATOM 1537 ND1 HIS A 98 12.353 -13.048 -24.899 1.00 0.00 N ATOM 1538 CD2 HIS A 98 14.129 -12.259 -25.881 1.00 0.00 C ATOM 1539 CE1 HIS A 98 12.264 -13.360 -26.173 1.00 0.00 C ATOM 1540 NE2 HIS A 98 13.330 -12.888 -26.789 1.00 0.00 N ATOM 0 H HIS A 98 13.266 -9.994 -20.910 1.00 0.00 H new ATOM 0 HA HIS A 98 13.563 -9.771 -23.748 1.00 0.00 H new ATOM 0 HB2 HIS A 98 15.036 -11.769 -23.307 1.00 0.00 H new ATOM 0 HB3 HIS A 98 13.668 -12.582 -22.573 1.00 0.00 H new ATOM 0 HD2 HIS A 98 15.072 -11.775 -26.086 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.457 -13.908 -26.635 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.526 -12.979 -27.786 1.00 0.00 H new ATOM 1549 N HIS A 99 11.054 -10.190 -23.812 1.00 0.00 N ATOM 1550 CA HIS A 99 9.593 -10.395 -23.866 1.00 0.00 C ATOM 1551 C HIS A 99 9.308 -11.776 -24.511 1.00 0.00 C ATOM 1552 O HIS A 99 9.130 -11.855 -25.743 1.00 0.00 O ATOM 1553 CB HIS A 99 8.912 -9.228 -24.645 1.00 0.00 C ATOM 1554 CG HIS A 99 8.917 -7.909 -23.911 1.00 0.00 C ATOM 1555 ND1 HIS A 99 9.836 -6.910 -24.147 1.00 0.00 N ATOM 1556 CD2 HIS A 99 8.096 -7.430 -22.943 1.00 0.00 C ATOM 1557 CE1 HIS A 99 9.584 -5.881 -23.361 1.00 0.00 C ATOM 1558 NE2 HIS A 99 8.533 -6.172 -22.620 1.00 0.00 N ATOM 1559 OXT HIS A 99 9.331 -12.788 -23.784 1.00 0.00 O ATOM 0 H HIS A 99 11.432 -9.715 -24.632 1.00 0.00 H new ATOM 0 HA HIS A 99 9.171 -10.391 -22.861 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.418 -9.101 -25.602 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.881 -9.505 -24.864 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.253 -7.945 -22.507 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.143 -4.958 -23.330 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.113 -5.560 -21.920 1.00 0.00 H new TER 1568 HIS A 99