USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 572 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 41 GLN : amide:sc= -7.12! C(o=-13!,f=-10!) USER MOD Set 1.2: A 45 ASN : amide:sc= -5.47! C(o=-13!,f=-10!) USER MOD Single : A 1 THR N :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 50:sc= 1.24 USER MOD Single : A 6 THR OG1 : rot -15:sc= 0.0459! USER MOD Single : A 12 SER OG : rot -144:sc= 0.0349 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : A 18 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.28) USER MOD Single : A 22 MET CE :methyl -128:sc= -7.65! (180deg=-10.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.276! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -123:sc= -0.694 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.034 41.922 -15.306 1.00 0.00 N ATOM 2 CA THR A 1 -2.462 43.217 -14.979 1.00 0.00 C ATOM 3 C THR A 1 -1.357 43.062 -13.932 1.00 0.00 C ATOM 4 O THR A 1 -0.248 43.560 -14.117 1.00 0.00 O ATOM 5 CB THR A 1 -3.599 44.137 -14.531 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.254 44.496 -15.744 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.091 45.468 -13.974 1.00 0.00 C ATOM 0 H1 THR A 1 -3.747 42.036 -16.054 1.00 0.00 H new ATOM 0 H2 THR A 1 -2.283 41.284 -15.638 1.00 0.00 H new ATOM 0 H3 THR A 1 -3.482 41.517 -14.460 1.00 0.00 H new ATOM 0 HA THR A 1 -1.983 43.669 -15.848 1.00 0.00 H new ATOM 0 HB THR A 1 -4.197 43.631 -13.773 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.007 45.091 -15.546 1.00 0.00 H new ATOM 0 HG21 THR A 1 -3.939 46.083 -13.671 1.00 0.00 H new ATOM 0 HG22 THR A 1 -2.451 45.281 -13.111 1.00 0.00 H new ATOM 0 HG23 THR A 1 -2.521 45.990 -14.742 1.00 0.00 H new ATOM 15 N TYR A 2 -1.699 42.370 -12.855 1.00 0.00 N ATOM 16 CA TYR A 2 -0.750 42.144 -11.778 1.00 0.00 C ATOM 17 C TYR A 2 -0.103 40.763 -11.899 1.00 0.00 C ATOM 18 O TYR A 2 1.121 40.650 -11.957 1.00 0.00 O ATOM 19 CB TYR A 2 -1.561 42.203 -10.482 1.00 0.00 C ATOM 20 CG TYR A 2 -1.928 43.621 -10.041 1.00 0.00 C ATOM 21 CD1 TYR A 2 -0.941 44.489 -9.619 1.00 0.00 C ATOM 22 CD2 TYR A 2 -3.245 44.032 -10.065 1.00 0.00 C ATOM 23 CE1 TYR A 2 -1.286 45.824 -9.203 1.00 0.00 C ATOM 24 CE2 TYR A 2 -3.590 45.367 -9.650 1.00 0.00 C ATOM 25 CZ TYR A 2 -2.594 46.197 -9.240 1.00 0.00 C ATOM 26 OH TYR A 2 -2.920 47.458 -8.848 1.00 0.00 O ATOM 0 H TYR A 2 -2.620 41.958 -12.705 1.00 0.00 H new ATOM 0 HA TYR A 2 0.047 42.887 -11.806 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -2.476 41.626 -10.612 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -0.991 41.722 -9.687 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.090 44.167 -9.601 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.017 43.353 -10.395 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.524 46.513 -8.869 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.617 45.702 -9.664 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.888 47.585 -8.928 1.00 0.00 H new ATOM 36 N SER A 3 -0.953 39.747 -11.933 1.00 0.00 N ATOM 37 CA SER A 3 -0.479 38.378 -12.046 1.00 0.00 C ATOM 38 C SER A 3 -1.656 37.407 -11.938 1.00 0.00 C ATOM 39 O SER A 3 -2.782 37.818 -11.661 1.00 0.00 O ATOM 40 CB SER A 3 0.566 38.067 -10.974 1.00 0.00 C ATOM 41 OG SER A 3 1.895 38.238 -11.458 1.00 0.00 O ATOM 0 H SER A 3 -1.967 39.845 -11.884 1.00 0.00 H new ATOM 0 HA SER A 3 -0.006 38.259 -13.021 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.407 38.717 -10.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.436 37.042 -10.627 1.00 0.00 H new ATOM 0 HG SER A 3 1.973 39.110 -11.897 1.00 0.00 H new ATOM 47 N LEU A 4 -1.356 36.136 -12.161 1.00 0.00 N ATOM 48 CA LEU A 4 -2.375 35.103 -12.092 1.00 0.00 C ATOM 49 C LEU A 4 -1.705 33.728 -12.145 1.00 0.00 C ATOM 50 O LEU A 4 -0.543 33.614 -12.531 1.00 0.00 O ATOM 51 CB LEU A 4 -3.429 35.316 -13.180 1.00 0.00 C ATOM 52 CG LEU A 4 -4.878 35.039 -12.774 1.00 0.00 C ATOM 53 CD1 LEU A 4 -5.627 36.343 -12.490 1.00 0.00 C ATOM 54 CD2 LEU A 4 -5.589 34.187 -13.826 1.00 0.00 C ATOM 0 H LEU A 4 -0.421 35.798 -12.390 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.912 35.160 -11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.361 36.347 -13.527 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.182 34.677 -14.028 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.869 34.465 -11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.654 36.118 -12.204 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.133 36.877 -11.678 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.628 36.964 -13.385 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.617 34.005 -13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.588 34.713 -14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.069 33.235 -13.935 1.00 0.00 H new ATOM 66 N ARG A 5 -2.468 32.718 -11.752 1.00 0.00 N ATOM 67 CA ARG A 5 -1.963 31.355 -11.751 1.00 0.00 C ATOM 68 C ARG A 5 -3.070 30.380 -11.347 1.00 0.00 C ATOM 69 O ARG A 5 -4.144 30.798 -10.917 1.00 0.00 O ATOM 70 CB ARG A 5 -0.784 31.206 -10.787 1.00 0.00 C ATOM 71 CG ARG A 5 0.346 30.395 -11.425 1.00 0.00 C ATOM 72 CD ARG A 5 1.659 30.593 -10.665 1.00 0.00 C ATOM 73 NE ARG A 5 2.774 29.965 -11.409 1.00 0.00 N ATOM 74 CZ ARG A 5 3.245 30.418 -12.579 1.00 0.00 C ATOM 75 NH1 ARG A 5 2.701 31.504 -13.145 1.00 0.00 N ATOM 76 NH2 ARG A 5 4.260 29.785 -13.183 1.00 0.00 N ATOM 0 H ARG A 5 -3.432 32.816 -11.432 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.623 31.126 -12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.414 32.191 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.117 30.716 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.081 29.338 -11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.474 30.698 -12.464 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.854 31.657 -10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.582 30.155 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 5 3.211 29.136 -11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.928 31.986 -12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.060 31.849 -14.035 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.674 28.958 -12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.618 30.130 -14.074 1.00 0.00 H new ATOM 90 N THR A 6 -2.770 29.098 -11.499 1.00 0.00 N ATOM 91 CA THR A 6 -3.727 28.060 -11.155 1.00 0.00 C ATOM 92 C THR A 6 -2.998 26.784 -10.729 1.00 0.00 C ATOM 93 O THR A 6 -1.869 26.538 -11.152 1.00 0.00 O ATOM 94 CB THR A 6 -4.656 27.858 -12.353 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.317 29.112 -12.495 1.00 0.00 O ATOM 96 CG2 THR A 6 -5.788 26.872 -12.056 1.00 0.00 C ATOM 0 H THR A 6 -1.878 28.755 -11.856 1.00 0.00 H new ATOM 0 HA THR A 6 -4.336 28.351 -10.299 1.00 0.00 H new ATOM 0 HB THR A 6 -4.077 27.501 -13.205 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.182 29.647 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.418 26.765 -12.939 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.366 25.902 -11.791 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.387 27.246 -11.226 1.00 0.00 H new ATOM 104 N PHE A 7 -3.673 26.004 -9.897 1.00 0.00 N ATOM 105 CA PHE A 7 -3.104 24.759 -9.410 1.00 0.00 C ATOM 106 C PHE A 7 -3.372 23.614 -10.388 1.00 0.00 C ATOM 107 O PHE A 7 -4.417 23.578 -11.036 1.00 0.00 O ATOM 108 CB PHE A 7 -3.789 24.446 -8.077 1.00 0.00 C ATOM 109 CG PHE A 7 -5.294 24.202 -8.194 1.00 0.00 C ATOM 110 CD1 PHE A 7 -5.760 22.966 -8.518 1.00 0.00 C ATOM 111 CD2 PHE A 7 -6.168 25.221 -7.972 1.00 0.00 C ATOM 112 CE1 PHE A 7 -7.158 22.739 -8.625 1.00 0.00 C ATOM 113 CE2 PHE A 7 -7.565 24.994 -8.080 1.00 0.00 C ATOM 114 CZ PHE A 7 -8.031 23.758 -8.404 1.00 0.00 C ATOM 0 H PHE A 7 -4.609 26.210 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.024 24.861 -9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.321 23.565 -7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.618 25.274 -7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.067 22.157 -8.694 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.799 26.202 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.528 21.757 -8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.258 25.803 -7.905 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.094 23.586 -8.486 1.00 0.00 H new ATOM 124 N PHE A 8 -2.410 22.706 -10.464 1.00 0.00 N ATOM 125 CA PHE A 8 -2.528 21.563 -11.353 1.00 0.00 C ATOM 126 C PHE A 8 -1.314 20.640 -11.224 1.00 0.00 C ATOM 127 O PHE A 8 -0.428 20.885 -10.407 1.00 0.00 O ATOM 128 CB PHE A 8 -2.588 22.110 -12.780 1.00 0.00 C ATOM 129 CG PHE A 8 -1.508 23.147 -13.096 1.00 0.00 C ATOM 130 CD1 PHE A 8 -0.204 22.768 -13.174 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.852 24.447 -13.298 1.00 0.00 C ATOM 132 CE1 PHE A 8 0.799 23.730 -13.466 1.00 0.00 C ATOM 133 CE2 PHE A 8 -0.849 25.409 -13.590 1.00 0.00 C ATOM 134 CZ PHE A 8 0.455 25.030 -13.668 1.00 0.00 C ATOM 0 H PHE A 8 -1.545 22.739 -9.924 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.418 20.986 -11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.496 21.280 -13.480 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.567 22.559 -12.945 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.069 21.735 -13.014 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.887 24.748 -13.236 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.834 23.429 -13.528 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.122 26.442 -13.750 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.217 25.762 -13.890 1.00 0.00 H new ATOM 144 N VAL A 9 -1.314 19.598 -12.042 1.00 0.00 N ATOM 145 CA VAL A 9 -0.224 18.637 -12.029 1.00 0.00 C ATOM 146 C VAL A 9 -0.119 18.010 -10.638 1.00 0.00 C ATOM 147 O VAL A 9 0.576 18.532 -9.768 1.00 0.00 O ATOM 148 CB VAL A 9 1.074 19.312 -12.480 1.00 0.00 C ATOM 149 CG1 VAL A 9 2.290 18.453 -12.127 1.00 0.00 C ATOM 150 CG2 VAL A 9 1.038 19.623 -13.978 1.00 0.00 C ATOM 0 H VAL A 9 -2.051 19.398 -12.718 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.418 17.830 -12.735 1.00 0.00 H new ATOM 0 HB VAL A 9 1.165 20.257 -11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.199 18.955 -12.458 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.330 18.305 -11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.209 17.486 -12.623 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.972 20.102 -14.273 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.913 18.697 -14.539 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.204 20.292 -14.191 1.00 0.00 H new ATOM 160 N ARG A 10 -0.820 16.898 -10.471 1.00 0.00 N ATOM 161 CA ARG A 10 -0.814 16.193 -9.200 1.00 0.00 C ATOM 162 C ARG A 10 -1.124 14.710 -9.414 1.00 0.00 C ATOM 163 O ARG A 10 -0.276 13.854 -9.169 1.00 0.00 O ATOM 164 CB ARG A 10 -1.843 16.788 -8.236 1.00 0.00 C ATOM 165 CG ARG A 10 -1.183 17.774 -7.271 1.00 0.00 C ATOM 166 CD ARG A 10 -2.022 17.945 -6.003 1.00 0.00 C ATOM 167 NE ARG A 10 -2.720 19.250 -6.029 1.00 0.00 N ATOM 168 CZ ARG A 10 -3.213 19.860 -4.943 1.00 0.00 C ATOM 169 NH1 ARG A 10 -3.087 19.288 -3.738 1.00 0.00 N ATOM 170 NH2 ARG A 10 -3.831 21.043 -5.062 1.00 0.00 N ATOM 0 H ARG A 10 -1.396 16.468 -11.195 1.00 0.00 H new ATOM 0 HA ARG A 10 0.180 16.301 -8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.625 17.295 -8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.324 15.988 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.187 17.419 -7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.057 18.739 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.749 17.136 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.382 17.883 -5.123 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.833 19.714 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.616 18.388 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.462 19.753 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.926 21.479 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.206 21.508 -4.235 1.00 0.00 H new ATOM 184 N GLU A 11 -2.341 14.452 -9.870 1.00 0.00 N ATOM 185 CA GLU A 11 -2.773 13.088 -10.119 1.00 0.00 C ATOM 186 C GLU A 11 -2.301 12.167 -8.992 1.00 0.00 C ATOM 187 O GLU A 11 -2.143 12.605 -7.854 1.00 0.00 O ATOM 188 CB GLU A 11 -2.271 12.593 -11.477 1.00 0.00 C ATOM 189 CG GLU A 11 -2.448 13.668 -12.552 1.00 0.00 C ATOM 190 CD GLU A 11 -3.890 13.701 -13.063 1.00 0.00 C ATOM 191 OE1 GLU A 11 -4.790 13.424 -12.241 1.00 0.00 O ATOM 192 OE2 GLU A 11 -4.059 14.002 -14.264 1.00 0.00 O ATOM 0 H GLU A 11 -3.041 15.165 -10.073 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.863 13.072 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.219 12.319 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.815 11.693 -11.764 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.181 14.643 -12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.769 13.473 -13.382 1.00 0.00 H new ATOM 199 N SER A 12 -2.091 10.908 -9.348 1.00 0.00 N ATOM 200 CA SER A 12 -1.640 9.922 -8.381 1.00 0.00 C ATOM 201 C SER A 12 -2.824 9.428 -7.547 1.00 0.00 C ATOM 202 O SER A 12 -3.975 9.738 -7.852 1.00 0.00 O ATOM 203 CB SER A 12 -0.554 10.499 -7.471 1.00 0.00 C ATOM 204 OG SER A 12 0.586 9.648 -7.394 1.00 0.00 O ATOM 0 H SER A 12 -2.225 10.548 -10.293 1.00 0.00 H new ATOM 0 HA SER A 12 -1.210 9.081 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.251 11.478 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.961 10.650 -6.471 1.00 0.00 H new ATOM 0 HG SER A 12 0.954 9.676 -6.486 1.00 0.00 H new ATOM 210 N ALA A 13 -2.501 8.668 -6.511 1.00 0.00 N ATOM 211 CA ALA A 13 -3.524 8.129 -5.631 1.00 0.00 C ATOM 212 C ALA A 13 -4.274 9.282 -4.961 1.00 0.00 C ATOM 213 O ALA A 13 -4.811 10.156 -5.640 1.00 0.00 O ATOM 214 CB ALA A 13 -2.877 7.186 -4.614 1.00 0.00 C ATOM 0 H ALA A 13 -1.546 8.413 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.251 7.548 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.644 6.781 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.382 6.369 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.143 7.735 -4.024 1.00 0.00 H new ATOM 220 N GLU A 14 -4.288 9.247 -3.637 1.00 0.00 N ATOM 221 CA GLU A 14 -4.964 10.278 -2.868 1.00 0.00 C ATOM 222 C GLU A 14 -4.080 11.523 -2.758 1.00 0.00 C ATOM 223 O GLU A 14 -3.894 12.061 -1.668 1.00 0.00 O ATOM 224 CB GLU A 14 -5.356 9.760 -1.483 1.00 0.00 C ATOM 225 CG GLU A 14 -6.798 10.142 -1.143 1.00 0.00 C ATOM 226 CD GLU A 14 -7.146 9.749 0.294 1.00 0.00 C ATOM 227 OE1 GLU A 14 -6.343 10.096 1.187 1.00 0.00 O ATOM 228 OE2 GLU A 14 -8.206 9.110 0.467 1.00 0.00 O ATOM 0 H GLU A 14 -3.842 8.521 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.881 10.552 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.246 8.676 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.681 10.171 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.934 11.216 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.481 9.648 -1.834 1.00 0.00 H new ATOM 235 N GLY A 15 -3.560 11.943 -3.902 1.00 0.00 N ATOM 236 CA GLY A 15 -2.702 13.114 -3.947 1.00 0.00 C ATOM 237 C GLY A 15 -1.360 12.837 -3.267 1.00 0.00 C ATOM 238 O GLY A 15 -0.528 13.734 -3.137 1.00 0.00 O ATOM 0 H GLY A 15 -3.716 11.493 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.535 13.407 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.197 13.951 -3.455 1.00 0.00 H new ATOM 242 N LEU A 16 -1.190 11.590 -2.850 1.00 0.00 N ATOM 243 CA LEU A 16 0.037 11.184 -2.186 1.00 0.00 C ATOM 244 C LEU A 16 1.115 10.912 -3.238 1.00 0.00 C ATOM 245 O LEU A 16 0.802 10.581 -4.381 1.00 0.00 O ATOM 246 CB LEU A 16 -0.226 10.000 -1.254 1.00 0.00 C ATOM 247 CG LEU A 16 -0.633 8.690 -1.932 1.00 0.00 C ATOM 248 CD1 LEU A 16 0.457 8.206 -2.890 1.00 0.00 C ATOM 249 CD2 LEU A 16 -0.997 7.626 -0.894 1.00 0.00 C ATOM 0 H LEU A 16 -1.882 10.848 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 16 0.409 11.986 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.674 9.818 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.011 10.282 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.526 8.877 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.142 7.273 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.626 8.959 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.381 8.040 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.283 6.705 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.137 7.435 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.831 7.979 -0.288 1.00 0.00 H new ATOM 261 N THR A 17 2.361 11.060 -2.813 1.00 0.00 N ATOM 262 CA THR A 17 3.487 10.834 -3.704 1.00 0.00 C ATOM 263 C THR A 17 3.886 9.357 -3.695 1.00 0.00 C ATOM 264 O THR A 17 3.609 8.642 -2.733 1.00 0.00 O ATOM 265 CB THR A 17 4.619 11.773 -3.282 1.00 0.00 C ATOM 266 OG1 THR A 17 4.612 11.707 -1.858 1.00 0.00 O ATOM 267 CG2 THR A 17 4.309 13.239 -3.589 1.00 0.00 C ATOM 0 H THR A 17 2.616 11.333 -1.864 1.00 0.00 H new ATOM 0 HA THR A 17 3.226 11.061 -4.738 1.00 0.00 H new ATOM 0 HB THR A 17 5.539 11.483 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.317 12.286 -1.500 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.144 13.862 -3.270 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.154 13.361 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.407 13.540 -3.055 1.00 0.00 H new ATOM 275 N GLN A 18 4.530 8.945 -4.776 1.00 0.00 N ATOM 276 CA GLN A 18 4.970 7.566 -4.905 1.00 0.00 C ATOM 277 C GLN A 18 5.756 7.142 -3.663 1.00 0.00 C ATOM 278 O GLN A 18 5.702 5.982 -3.256 1.00 0.00 O ATOM 279 CB GLN A 18 5.804 7.373 -6.173 1.00 0.00 C ATOM 280 CG GLN A 18 6.140 5.896 -6.389 1.00 0.00 C ATOM 281 CD GLN A 18 7.654 5.676 -6.413 1.00 0.00 C ATOM 282 OE1 GLN A 18 8.391 6.158 -5.569 1.00 0.00 O ATOM 283 NE2 GLN A 18 8.075 4.922 -7.424 1.00 0.00 N ATOM 0 H GLN A 18 4.758 9.542 -5.571 1.00 0.00 H new ATOM 0 HA GLN A 18 4.089 6.930 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.256 7.755 -7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.725 7.952 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.695 5.298 -5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.704 5.554 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.404 4.549 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.069 4.716 -7.527 1.00 0.00 H new ATOM 292 N GLY A 19 6.468 8.104 -3.094 1.00 0.00 N ATOM 293 CA GLY A 19 7.264 7.844 -1.907 1.00 0.00 C ATOM 294 C GLY A 19 6.370 7.658 -0.679 1.00 0.00 C ATOM 295 O GLY A 19 6.618 6.779 0.146 1.00 0.00 O ATOM 0 H GLY A 19 6.510 9.065 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.870 6.951 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.953 8.672 -1.738 1.00 0.00 H new ATOM 299 N GLU A 20 5.350 8.499 -0.595 1.00 0.00 N ATOM 300 CA GLU A 20 4.419 8.437 0.518 1.00 0.00 C ATOM 301 C GLU A 20 3.768 7.055 0.590 1.00 0.00 C ATOM 302 O GLU A 20 3.586 6.506 1.676 1.00 0.00 O ATOM 303 CB GLU A 20 3.360 9.537 0.409 1.00 0.00 C ATOM 304 CG GLU A 20 3.703 10.720 1.317 1.00 0.00 C ATOM 305 CD GLU A 20 2.482 11.161 2.126 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.402 11.277 1.507 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.656 11.373 3.346 1.00 0.00 O ATOM 0 H GLU A 20 5.148 9.227 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 20 4.975 8.603 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.288 9.876 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.384 9.136 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.511 10.442 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.065 11.553 0.714 1.00 0.00 H new ATOM 314 N LEU A 21 3.434 6.531 -0.580 1.00 0.00 N ATOM 315 CA LEU A 21 2.807 5.223 -0.663 1.00 0.00 C ATOM 316 C LEU A 21 3.731 4.178 -0.033 1.00 0.00 C ATOM 317 O LEU A 21 3.270 3.281 0.670 1.00 0.00 O ATOM 318 CB LEU A 21 2.417 4.907 -2.108 1.00 0.00 C ATOM 319 CG LEU A 21 1.186 4.016 -2.291 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.336 2.708 -1.512 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.093 4.765 -1.915 1.00 0.00 C ATOM 0 H LEU A 21 3.586 6.989 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 21 1.876 5.210 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.241 5.848 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.265 4.426 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 21 1.107 3.754 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.448 2.093 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.213 2.170 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.454 2.928 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.953 4.110 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.039 5.076 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.200 5.644 -2.551 1.00 0.00 H new ATOM 333 N MET A 22 5.018 4.330 -0.309 1.00 0.00 N ATOM 334 CA MET A 22 6.010 3.411 0.222 1.00 0.00 C ATOM 335 C MET A 22 5.911 3.318 1.746 1.00 0.00 C ATOM 336 O MET A 22 5.683 2.240 2.292 1.00 0.00 O ATOM 337 CB MET A 22 7.410 3.888 -0.171 1.00 0.00 C ATOM 338 CG MET A 22 7.520 4.077 -1.685 1.00 0.00 C ATOM 339 SD MET A 22 9.202 3.799 -2.214 1.00 0.00 S ATOM 340 CE MET A 22 9.338 2.046 -1.907 1.00 0.00 C ATOM 0 H MET A 22 5.396 5.076 -0.893 1.00 0.00 H new ATOM 0 HA MET A 22 5.823 2.422 -0.196 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.633 4.828 0.334 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.152 3.163 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.850 3.385 -2.196 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.206 5.085 -1.958 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.224 1.850 -1.303 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.452 1.700 -1.375 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.421 1.516 -2.856 1.00 0.00 H new ATOM 350 N LYS A 23 6.089 4.462 2.390 1.00 0.00 N ATOM 351 CA LYS A 23 6.022 4.523 3.840 1.00 0.00 C ATOM 352 C LYS A 23 4.635 4.072 4.302 1.00 0.00 C ATOM 353 O LYS A 23 4.486 3.541 5.401 1.00 0.00 O ATOM 354 CB LYS A 23 6.412 5.917 4.336 1.00 0.00 C ATOM 355 CG LYS A 23 7.388 5.827 5.511 1.00 0.00 C ATOM 356 CD LYS A 23 6.905 6.675 6.690 1.00 0.00 C ATOM 357 CE LYS A 23 8.084 7.165 7.533 1.00 0.00 C ATOM 358 NZ LYS A 23 8.260 8.626 7.379 1.00 0.00 N ATOM 0 H LYS A 23 6.280 5.354 1.934 1.00 0.00 H new ATOM 0 HA LYS A 23 6.744 3.838 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.867 6.482 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.519 6.462 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.492 4.788 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.375 6.165 5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.338 7.529 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.228 6.088 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.914 6.922 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.995 6.649 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.064 8.942 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.443 8.850 6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.396 9.114 7.691 1.00 0.00 H new ATOM 372 N LEU A 24 3.656 4.300 3.439 1.00 0.00 N ATOM 373 CA LEU A 24 2.286 3.924 3.745 1.00 0.00 C ATOM 374 C LEU A 24 2.182 2.398 3.802 1.00 0.00 C ATOM 375 O LEU A 24 1.553 1.849 4.706 1.00 0.00 O ATOM 376 CB LEU A 24 1.318 4.570 2.752 1.00 0.00 C ATOM 377 CG LEU A 24 0.686 5.891 3.194 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.418 6.799 1.992 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.578 5.645 4.019 1.00 0.00 C ATOM 0 H LEU A 24 3.784 4.740 2.528 1.00 0.00 H new ATOM 0 HA LEU A 24 1.997 4.301 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.849 4.740 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.518 3.860 2.541 1.00 0.00 H new ATOM 0 HG LEU A 24 1.395 6.410 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.031 7.731 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.357 7.014 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.263 6.299 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.007 6.600 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.303 5.095 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.326 5.064 4.906 1.00 0.00 H new ATOM 391 N ILE A 25 2.807 1.757 2.826 1.00 0.00 N ATOM 392 CA ILE A 25 2.793 0.306 2.754 1.00 0.00 C ATOM 393 C ILE A 25 3.569 -0.267 3.941 1.00 0.00 C ATOM 394 O ILE A 25 3.100 -1.189 4.607 1.00 0.00 O ATOM 395 CB ILE A 25 3.310 -0.168 1.394 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.247 0.014 0.309 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.810 -1.612 1.471 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.742 -0.518 -1.038 1.00 0.00 C ATOM 0 H ILE A 25 3.327 2.216 2.078 1.00 0.00 H new ATOM 0 HA ILE A 25 1.772 -0.069 2.829 1.00 0.00 H new ATOM 0 HB ILE A 25 4.162 0.453 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.335 -0.508 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.994 1.070 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.172 -1.924 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.622 -1.678 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.993 -2.264 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.968 -0.377 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.641 0.023 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.971 -1.580 -0.948 1.00 0.00 H new ATOM 410 N LYS A 26 4.743 0.303 4.171 1.00 0.00 N ATOM 411 CA LYS A 26 5.588 -0.140 5.266 1.00 0.00 C ATOM 412 C LYS A 26 4.888 0.152 6.595 1.00 0.00 C ATOM 413 O LYS A 26 5.183 -0.480 7.608 1.00 0.00 O ATOM 414 CB LYS A 26 6.981 0.483 5.154 1.00 0.00 C ATOM 415 CG LYS A 26 8.070 -0.553 5.439 1.00 0.00 C ATOM 416 CD LYS A 26 8.502 -0.506 6.906 1.00 0.00 C ATOM 417 CE LYS A 26 10.004 -0.242 7.027 1.00 0.00 C ATOM 418 NZ LYS A 26 10.375 0.002 8.439 1.00 0.00 N ATOM 0 H LYS A 26 5.129 1.068 3.617 1.00 0.00 H new ATOM 0 HA LYS A 26 5.742 -1.218 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.119 0.896 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.070 1.312 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.701 -1.550 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.931 -0.367 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.949 0.275 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.255 -1.450 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.562 -1.095 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.278 0.620 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.398 0.179 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.857 0.830 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.132 -0.832 9.011 1.00 0.00 H new ATOM 432 N GLU A 27 3.975 1.111 6.548 1.00 0.00 N ATOM 433 CA GLU A 27 3.231 1.494 7.735 1.00 0.00 C ATOM 434 C GLU A 27 2.310 0.355 8.176 1.00 0.00 C ATOM 435 O GLU A 27 2.167 0.094 9.370 1.00 0.00 O ATOM 436 CB GLU A 27 2.436 2.779 7.493 1.00 0.00 C ATOM 437 CG GLU A 27 3.104 3.975 8.174 1.00 0.00 C ATOM 438 CD GLU A 27 2.517 5.293 7.667 1.00 0.00 C ATOM 439 OE1 GLU A 27 1.286 5.322 7.455 1.00 0.00 O ATOM 440 OE2 GLU A 27 3.313 6.244 7.505 1.00 0.00 O ATOM 0 H GLU A 27 3.734 1.634 5.706 1.00 0.00 H new ATOM 0 HA GLU A 27 3.942 1.691 8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.355 2.964 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.421 2.660 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.970 3.905 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.177 3.954 7.984 1.00 0.00 H new ATOM 447 N ILE A 28 1.710 -0.294 7.189 1.00 0.00 N ATOM 448 CA ILE A 28 0.807 -1.400 7.461 1.00 0.00 C ATOM 449 C ILE A 28 1.605 -2.578 8.023 1.00 0.00 C ATOM 450 O ILE A 28 1.063 -3.410 8.749 1.00 0.00 O ATOM 451 CB ILE A 28 -0.005 -1.747 6.211 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.200 -0.805 6.054 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.432 -3.217 6.226 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.897 0.300 5.040 1.00 0.00 C ATOM 0 H ILE A 28 1.831 -0.075 6.200 1.00 0.00 H new ATOM 0 HA ILE A 28 0.077 -1.119 8.220 1.00 0.00 H new ATOM 0 HB ILE A 28 0.633 -1.605 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.074 -1.371 5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.447 -0.361 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.008 -3.438 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.453 -3.853 6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.046 -3.409 7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.763 0.956 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.038 0.879 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.674 -0.147 4.071 1.00 0.00 H new ATOM 466 N VAL A 29 2.881 -2.611 7.666 1.00 0.00 N ATOM 467 CA VAL A 29 3.759 -3.674 8.126 1.00 0.00 C ATOM 468 C VAL A 29 4.442 -3.239 9.424 1.00 0.00 C ATOM 469 O VAL A 29 5.479 -3.786 9.797 1.00 0.00 O ATOM 470 CB VAL A 29 4.752 -4.046 7.023 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.165 -5.515 7.131 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.175 -3.739 5.639 1.00 0.00 C ATOM 0 H VAL A 29 3.328 -1.919 7.064 1.00 0.00 H new ATOM 0 HA VAL A 29 3.186 -4.575 8.346 1.00 0.00 H new ATOM 0 HB VAL A 29 5.645 -3.436 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.871 -5.754 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.635 -5.691 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.283 -6.149 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.901 -4.013 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.259 -4.311 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.954 -2.674 5.565 1.00 0.00 H new ATOM 482 N GLU A 30 3.834 -2.259 10.076 1.00 0.00 N ATOM 483 CA GLU A 30 4.371 -1.744 11.324 1.00 0.00 C ATOM 484 C GLU A 30 4.244 -2.795 12.430 1.00 0.00 C ATOM 485 O GLU A 30 5.052 -2.827 13.356 1.00 0.00 O ATOM 486 CB GLU A 30 3.677 -0.441 11.723 1.00 0.00 C ATOM 487 CG GLU A 30 4.390 0.769 11.115 1.00 0.00 C ATOM 488 CD GLU A 30 3.569 2.045 11.312 1.00 0.00 C ATOM 489 OE1 GLU A 30 2.428 1.916 11.807 1.00 0.00 O ATOM 490 OE2 GLU A 30 4.101 3.121 10.964 1.00 0.00 O ATOM 0 H GLU A 30 2.974 -1.808 9.763 1.00 0.00 H new ATOM 0 HA GLU A 30 5.429 -1.524 11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.639 -0.461 11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.662 -0.351 12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.370 0.888 11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.557 0.600 10.051 1.00 0.00 H new ATOM 497 N ASN A 31 3.222 -3.628 12.295 1.00 0.00 N ATOM 498 CA ASN A 31 2.979 -4.676 13.271 1.00 0.00 C ATOM 499 C ASN A 31 2.372 -5.891 12.567 1.00 0.00 C ATOM 500 O ASN A 31 1.314 -6.378 12.964 1.00 0.00 O ATOM 501 CB ASN A 31 1.994 -4.211 14.346 1.00 0.00 C ATOM 502 CG ASN A 31 0.624 -3.903 13.737 1.00 0.00 C ATOM 503 OD1 ASN A 31 0.492 -3.133 12.800 1.00 0.00 O ATOM 504 ND2 ASN A 31 -0.384 -4.544 14.321 1.00 0.00 N ATOM 0 H ASN A 31 2.554 -3.598 11.525 1.00 0.00 H new ATOM 0 HA ASN A 31 3.931 -4.928 13.739 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.892 -4.983 15.109 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.384 -3.322 14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.338 -4.405 13.988 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.203 -5.175 15.102 1.00 0.00 H new ATOM 511 N GLU A 32 3.067 -6.346 11.536 1.00 0.00 N ATOM 512 CA GLU A 32 2.610 -7.495 10.773 1.00 0.00 C ATOM 513 C GLU A 32 2.548 -8.735 11.667 1.00 0.00 C ATOM 514 O GLU A 32 2.449 -8.621 12.887 1.00 0.00 O ATOM 515 CB GLU A 32 3.507 -7.739 9.558 1.00 0.00 C ATOM 516 CG GLU A 32 4.877 -8.269 9.985 1.00 0.00 C ATOM 517 CD GLU A 32 5.346 -9.390 9.057 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.993 -9.321 7.860 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.046 -10.293 9.565 1.00 0.00 O ATOM 0 H GLU A 32 3.944 -5.940 11.210 1.00 0.00 H new ATOM 0 HA GLU A 32 1.606 -7.286 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.030 -8.453 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.630 -6.811 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.604 -7.457 9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.825 -8.638 11.009 1.00 0.00 H new ATOM 526 N ASP A 33 2.609 -9.892 11.024 1.00 0.00 N ATOM 527 CA ASP A 33 2.561 -11.153 11.746 1.00 0.00 C ATOM 528 C ASP A 33 3.145 -12.261 10.867 1.00 0.00 C ATOM 529 O ASP A 33 3.007 -12.227 9.645 1.00 0.00 O ATOM 530 CB ASP A 33 1.120 -11.534 12.092 1.00 0.00 C ATOM 531 CG ASP A 33 0.968 -12.443 13.314 1.00 0.00 C ATOM 532 OD1 ASP A 33 1.263 -13.649 13.164 1.00 0.00 O ATOM 533 OD2 ASP A 33 0.561 -11.912 14.369 1.00 0.00 O ATOM 0 H ASP A 33 2.691 -9.983 10.011 1.00 0.00 H new ATOM 0 HA ASP A 33 3.135 -11.038 12.666 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.550 -10.621 12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.674 -12.031 11.230 1.00 0.00 H new ATOM 538 N LYS A 34 3.786 -13.217 11.524 1.00 0.00 N ATOM 539 CA LYS A 34 4.392 -14.333 10.818 1.00 0.00 C ATOM 540 C LYS A 34 3.291 -15.201 10.206 1.00 0.00 C ATOM 541 O LYS A 34 3.419 -15.666 9.074 1.00 0.00 O ATOM 542 CB LYS A 34 5.338 -15.101 11.743 1.00 0.00 C ATOM 543 CG LYS A 34 6.728 -14.460 11.760 1.00 0.00 C ATOM 544 CD LYS A 34 7.809 -15.485 11.411 1.00 0.00 C ATOM 545 CE LYS A 34 8.163 -16.344 12.626 1.00 0.00 C ATOM 546 NZ LYS A 34 9.274 -17.267 12.303 1.00 0.00 N ATOM 0 H LYS A 34 3.899 -13.242 12.537 1.00 0.00 H new ATOM 0 HA LYS A 34 5.010 -13.974 9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.929 -15.119 12.753 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.415 -16.137 11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.761 -13.635 11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.926 -14.039 12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.461 -16.123 10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.701 -14.971 11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.446 -15.704 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.289 -16.914 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.501 -17.843 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.991 -17.890 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.111 -16.718 12.023 1.00 0.00 H new ATOM 560 N ARG A 35 2.234 -15.395 10.981 1.00 0.00 N ATOM 561 CA ARG A 35 1.112 -16.199 10.529 1.00 0.00 C ATOM 562 C ARG A 35 0.394 -15.505 9.370 1.00 0.00 C ATOM 563 O ARG A 35 0.171 -16.109 8.322 1.00 0.00 O ATOM 564 CB ARG A 35 0.116 -16.442 11.665 1.00 0.00 C ATOM 565 CG ARG A 35 0.474 -17.707 12.447 1.00 0.00 C ATOM 566 CD ARG A 35 0.350 -17.474 13.954 1.00 0.00 C ATOM 567 NE ARG A 35 0.437 -18.763 14.675 1.00 0.00 N ATOM 568 CZ ARG A 35 0.170 -18.914 15.980 1.00 0.00 C ATOM 569 NH1 ARG A 35 -0.201 -17.856 16.714 1.00 0.00 N ATOM 570 NH2 ARG A 35 0.275 -20.122 16.550 1.00 0.00 N ATOM 0 H ARG A 35 2.131 -15.009 11.919 1.00 0.00 H new ATOM 0 HA ARG A 35 1.505 -17.159 10.194 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.110 -15.584 12.337 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.891 -16.535 11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.183 -18.523 12.146 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.492 -18.012 12.205 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.141 -16.804 14.293 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.599 -16.986 14.178 1.00 0.00 H new ATOM 0 HE ARG A 35 0.718 -19.589 14.146 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.280 -16.936 16.280 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.404 -17.970 17.707 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.558 -20.927 15.991 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.072 -20.237 17.543 1.00 0.00 H new ATOM 584 N LYS A 36 0.051 -14.246 9.598 1.00 0.00 N ATOM 585 CA LYS A 36 -0.638 -13.463 8.585 1.00 0.00 C ATOM 586 C LYS A 36 0.066 -12.114 8.424 1.00 0.00 C ATOM 587 O LYS A 36 -0.427 -11.092 8.898 1.00 0.00 O ATOM 588 CB LYS A 36 -2.126 -13.344 8.920 1.00 0.00 C ATOM 589 CG LYS A 36 -2.960 -14.296 8.060 1.00 0.00 C ATOM 590 CD LYS A 36 -3.945 -15.090 8.919 1.00 0.00 C ATOM 591 CE LYS A 36 -5.237 -14.302 9.142 1.00 0.00 C ATOM 592 NZ LYS A 36 -5.179 -13.561 10.422 1.00 0.00 N ATOM 0 H LYS A 36 0.237 -13.748 10.469 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.592 -13.965 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.284 -13.569 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.458 -12.318 8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.505 -13.728 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.301 -14.982 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.173 -16.039 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.488 -15.325 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.391 -13.605 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.088 -14.983 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.064 -13.032 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.054 -14.232 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.378 -12.897 10.403 1.00 0.00 H new ATOM 606 N PRO A 37 1.238 -12.156 7.736 1.00 0.00 N ATOM 607 CA PRO A 37 2.015 -10.950 7.506 1.00 0.00 C ATOM 608 C PRO A 37 1.371 -10.081 6.424 1.00 0.00 C ATOM 609 O PRO A 37 0.594 -10.574 5.608 1.00 0.00 O ATOM 610 CB PRO A 37 3.402 -11.441 7.125 1.00 0.00 C ATOM 611 CG PRO A 37 3.229 -12.892 6.704 1.00 0.00 C ATOM 612 CD PRO A 37 1.853 -13.349 7.160 1.00 0.00 C ATOM 0 HA PRO A 37 2.062 -10.307 8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.818 -10.845 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.091 -11.358 7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.325 -12.990 5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.005 -13.514 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.267 -13.733 6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.925 -14.151 7.894 1.00 0.00 H new ATOM 620 N TYR A 38 1.719 -8.803 6.452 1.00 0.00 N ATOM 621 CA TYR A 38 1.184 -7.861 5.483 1.00 0.00 C ATOM 622 C TYR A 38 2.018 -7.861 4.200 1.00 0.00 C ATOM 623 O TYR A 38 2.608 -6.843 3.839 1.00 0.00 O ATOM 624 CB TYR A 38 1.280 -6.482 6.139 1.00 0.00 C ATOM 625 CG TYR A 38 0.329 -6.288 7.322 1.00 0.00 C ATOM 626 CD1 TYR A 38 -1.036 -6.370 7.131 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.835 -6.032 8.580 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.930 -6.188 8.245 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.059 -5.850 9.693 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.398 -5.937 9.471 1.00 0.00 C ATOM 631 OH TYR A 38 -2.243 -5.765 10.522 1.00 0.00 O ATOM 0 H TYR A 38 2.364 -8.398 7.130 1.00 0.00 H new ATOM 0 HA TYR A 38 0.162 -8.126 5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.303 -6.323 6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.071 -5.719 5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.433 -6.571 6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.903 -5.968 8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.000 -6.250 8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.325 -5.649 10.682 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.723 -5.594 11.335 1.00 0.00 H new ATOM 641 N SER A 39 2.041 -9.013 3.547 1.00 0.00 N ATOM 642 CA SER A 39 2.792 -9.159 2.312 1.00 0.00 C ATOM 643 C SER A 39 2.151 -8.319 1.207 1.00 0.00 C ATOM 644 O SER A 39 1.197 -7.583 1.456 1.00 0.00 O ATOM 645 CB SER A 39 2.872 -10.626 1.886 1.00 0.00 C ATOM 646 OG SER A 39 3.322 -10.768 0.541 1.00 0.00 O ATOM 0 H SER A 39 1.551 -9.855 3.850 1.00 0.00 H new ATOM 0 HA SER A 39 3.808 -8.804 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.548 -11.161 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.890 -11.088 1.990 1.00 0.00 H new ATOM 0 HG SER A 39 3.361 -11.719 0.308 1.00 0.00 H new ATOM 652 N ASP A 40 2.700 -8.456 0.009 1.00 0.00 N ATOM 653 CA ASP A 40 2.193 -7.719 -1.136 1.00 0.00 C ATOM 654 C ASP A 40 0.709 -8.041 -1.329 1.00 0.00 C ATOM 655 O ASP A 40 -0.069 -7.179 -1.734 1.00 0.00 O ATOM 656 CB ASP A 40 2.932 -8.112 -2.416 1.00 0.00 C ATOM 657 CG ASP A 40 2.910 -9.607 -2.742 1.00 0.00 C ATOM 658 OD1 ASP A 40 1.962 -10.022 -3.443 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.843 -10.301 -2.282 1.00 0.00 O ATOM 0 H ASP A 40 3.491 -9.067 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 40 2.343 -6.656 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.495 -7.567 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.970 -7.789 -2.332 1.00 0.00 H new ATOM 664 N GLN A 41 0.363 -9.284 -1.029 1.00 0.00 N ATOM 665 CA GLN A 41 -1.013 -9.731 -1.164 1.00 0.00 C ATOM 666 C GLN A 41 -1.913 -8.985 -0.175 1.00 0.00 C ATOM 667 O GLN A 41 -2.963 -8.470 -0.553 1.00 0.00 O ATOM 668 CB GLN A 41 -1.120 -11.244 -0.968 1.00 0.00 C ATOM 669 CG GLN A 41 -2.300 -11.598 -0.061 1.00 0.00 C ATOM 670 CD GLN A 41 -3.631 -11.262 -0.736 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.702 -10.979 -1.921 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.679 -11.309 0.081 1.00 0.00 N ATOM 0 H GLN A 41 1.012 -9.996 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.350 -9.504 -2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.241 -11.732 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.196 -11.624 -0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.270 -12.660 0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.217 -11.053 0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.550 -11.553 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.612 -11.101 -0.274 1.00 0.00 H new ATOM 681 N GLU A 42 -1.467 -8.953 1.072 1.00 0.00 N ATOM 682 CA GLU A 42 -2.218 -8.279 2.118 1.00 0.00 C ATOM 683 C GLU A 42 -2.353 -6.789 1.799 1.00 0.00 C ATOM 684 O GLU A 42 -3.440 -6.318 1.468 1.00 0.00 O ATOM 685 CB GLU A 42 -1.565 -8.490 3.485 1.00 0.00 C ATOM 686 CG GLU A 42 -2.622 -8.645 4.580 1.00 0.00 C ATOM 687 CD GLU A 42 -2.097 -9.505 5.732 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.175 -10.745 5.595 1.00 0.00 O ATOM 689 OE2 GLU A 42 -1.629 -8.903 6.722 1.00 0.00 O ATOM 0 H GLU A 42 -0.595 -9.383 1.382 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.217 -8.714 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.933 -9.377 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.917 -7.644 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.908 -7.663 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.520 -9.100 4.162 1.00 0.00 H new ATOM 696 N ILE A 43 -1.234 -6.089 1.909 1.00 0.00 N ATOM 697 CA ILE A 43 -1.214 -4.662 1.636 1.00 0.00 C ATOM 698 C ILE A 43 -2.058 -4.373 0.393 1.00 0.00 C ATOM 699 O ILE A 43 -2.874 -3.452 0.393 1.00 0.00 O ATOM 700 CB ILE A 43 0.227 -4.157 1.532 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.644 -3.425 2.809 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.414 -3.288 0.286 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.011 -3.911 3.297 1.00 0.00 C ATOM 0 H ILE A 43 -0.334 -6.483 2.184 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.663 -4.110 2.462 1.00 0.00 H new ATOM 0 HB ILE A 43 0.885 -5.019 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.681 -2.352 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.103 -3.588 3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.446 -2.942 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.184 -3.874 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.255 -2.429 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.284 -3.375 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.964 -4.980 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.760 -3.725 2.527 1.00 0.00 H new ATOM 715 N ALA A 44 -1.833 -5.176 -0.636 1.00 0.00 N ATOM 716 CA ALA A 44 -2.563 -5.018 -1.882 1.00 0.00 C ATOM 717 C ALA A 44 -4.064 -5.118 -1.605 1.00 0.00 C ATOM 718 O ALA A 44 -4.849 -4.328 -2.129 1.00 0.00 O ATOM 719 CB ALA A 44 -2.085 -6.065 -2.891 1.00 0.00 C ATOM 0 H ALA A 44 -1.155 -5.938 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.373 -4.036 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.633 -5.946 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.019 -5.932 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.262 -7.063 -2.491 1.00 0.00 H new ATOM 725 N ASN A 45 -4.418 -6.094 -0.783 1.00 0.00 N ATOM 726 CA ASN A 45 -5.811 -6.308 -0.431 1.00 0.00 C ATOM 727 C ASN A 45 -6.317 -5.111 0.377 1.00 0.00 C ATOM 728 O ASN A 45 -7.493 -4.758 0.301 1.00 0.00 O ATOM 729 CB ASN A 45 -5.976 -7.563 0.429 1.00 0.00 C ATOM 730 CG ASN A 45 -6.243 -8.792 -0.441 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.308 -9.387 -0.410 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.219 -9.139 -1.216 1.00 0.00 N ATOM 0 H ASN A 45 -3.764 -6.746 -0.350 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.378 -6.427 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.076 -7.722 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.799 -7.423 1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.298 -9.947 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.355 -8.597 -1.193 1.00 0.00 H new ATOM 739 N ILE A 46 -5.404 -4.520 1.134 1.00 0.00 N ATOM 740 CA ILE A 46 -5.743 -3.370 1.955 1.00 0.00 C ATOM 741 C ILE A 46 -6.105 -2.191 1.050 1.00 0.00 C ATOM 742 O ILE A 46 -7.147 -1.562 1.231 1.00 0.00 O ATOM 743 CB ILE A 46 -4.614 -3.064 2.941 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.661 -4.014 4.140 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.644 -1.596 3.371 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.534 -3.705 5.128 1.00 0.00 C ATOM 0 H ILE A 46 -4.430 -4.816 1.196 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.620 -3.584 2.566 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.663 -3.231 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.624 -3.925 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.575 -5.045 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.831 -1.405 4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.525 -0.958 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.597 -1.377 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.590 -4.394 5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.572 -3.819 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.637 -2.682 5.489 1.00 0.00 H new ATOM 758 N LEU A 47 -5.225 -1.927 0.095 1.00 0.00 N ATOM 759 CA LEU A 47 -5.439 -0.834 -0.838 1.00 0.00 C ATOM 760 C LEU A 47 -6.773 -1.038 -1.558 1.00 0.00 C ATOM 761 O LEU A 47 -7.468 -0.072 -1.871 1.00 0.00 O ATOM 762 CB LEU A 47 -4.244 -0.696 -1.784 1.00 0.00 C ATOM 763 CG LEU A 47 -2.931 -0.242 -1.145 1.00 0.00 C ATOM 764 CD1 LEU A 47 -3.078 -0.106 0.372 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.782 -1.177 -1.528 1.00 0.00 C ATOM 0 H LEU A 47 -4.363 -2.451 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.506 0.115 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.076 -1.658 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.507 0.013 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.685 0.746 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.130 0.218 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.849 0.630 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.359 -1.069 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.860 -0.831 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.006 -2.187 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.660 -1.179 -2.611 1.00 0.00 H new ATOM 777 N LYS A 48 -7.092 -2.301 -1.799 1.00 0.00 N ATOM 778 CA LYS A 48 -8.331 -2.644 -2.477 1.00 0.00 C ATOM 779 C LYS A 48 -9.512 -2.064 -1.695 1.00 0.00 C ATOM 780 O LYS A 48 -10.624 -1.983 -2.214 1.00 0.00 O ATOM 781 CB LYS A 48 -8.421 -4.156 -2.695 1.00 0.00 C ATOM 782 CG LYS A 48 -8.847 -4.478 -4.129 1.00 0.00 C ATOM 783 CD LYS A 48 -9.615 -5.800 -4.190 1.00 0.00 C ATOM 784 CE LYS A 48 -11.042 -5.629 -3.666 1.00 0.00 C ATOM 785 NZ LYS A 48 -11.493 -6.859 -2.978 1.00 0.00 N ATOM 0 H LYS A 48 -6.514 -3.100 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.357 -2.199 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.455 -4.615 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.136 -4.586 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.471 -3.673 -4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.967 -4.535 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.642 -6.162 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.095 -6.555 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.084 -4.784 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.714 -5.401 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.463 -6.725 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.472 -7.657 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.861 -7.060 -2.177 1.00 0.00 H new ATOM 799 N GLU A 49 -9.229 -1.675 -0.461 1.00 0.00 N ATOM 800 CA GLU A 49 -10.254 -1.105 0.397 1.00 0.00 C ATOM 801 C GLU A 49 -10.755 0.219 -0.182 1.00 0.00 C ATOM 802 O GLU A 49 -11.389 1.007 0.518 1.00 0.00 O ATOM 803 CB GLU A 49 -9.733 -0.917 1.824 1.00 0.00 C ATOM 804 CG GLU A 49 -9.416 -2.266 2.474 1.00 0.00 C ATOM 805 CD GLU A 49 -8.334 -2.116 3.546 1.00 0.00 C ATOM 806 OE1 GLU A 49 -7.855 -0.974 3.714 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.011 -3.148 4.173 1.00 0.00 O ATOM 0 H GLU A 49 -8.305 -1.743 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.092 -1.801 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.837 -0.297 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.477 -0.388 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.320 -2.681 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.084 -2.972 1.713 1.00 0.00 H new ATOM 814 N LYS A 50 -10.452 0.423 -1.456 1.00 0.00 N ATOM 815 CA LYS A 50 -10.864 1.638 -2.138 1.00 0.00 C ATOM 816 C LYS A 50 -10.084 2.826 -1.569 1.00 0.00 C ATOM 817 O LYS A 50 -10.672 3.847 -1.217 1.00 0.00 O ATOM 818 CB LYS A 50 -12.383 1.807 -2.062 1.00 0.00 C ATOM 819 CG LYS A 50 -12.808 3.185 -2.572 1.00 0.00 C ATOM 820 CD LYS A 50 -13.885 3.062 -3.651 1.00 0.00 C ATOM 821 CE LYS A 50 -14.495 4.427 -3.975 1.00 0.00 C ATOM 822 NZ LYS A 50 -14.006 4.916 -5.284 1.00 0.00 N ATOM 0 H LYS A 50 -9.926 -0.233 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.626 1.578 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.869 1.031 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.716 1.678 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.186 3.783 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.942 3.710 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.453 2.629 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.667 2.381 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.582 4.351 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.237 5.142 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.430 5.843 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.970 5.007 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.274 4.241 -6.029 1.00 0.00 H new ATOM 836 N GLY A 51 -8.773 2.652 -1.498 1.00 0.00 N ATOM 837 CA GLY A 51 -7.907 3.697 -0.979 1.00 0.00 C ATOM 838 C GLY A 51 -6.905 4.157 -2.040 1.00 0.00 C ATOM 839 O GLY A 51 -7.228 4.995 -2.881 1.00 0.00 O ATOM 0 H GLY A 51 -8.289 1.803 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.510 4.544 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.372 3.329 -0.104 1.00 0.00 H new ATOM 843 N PHE A 52 -5.711 3.589 -1.966 1.00 0.00 N ATOM 844 CA PHE A 52 -4.660 3.931 -2.910 1.00 0.00 C ATOM 845 C PHE A 52 -4.751 3.065 -4.168 1.00 0.00 C ATOM 846 O PHE A 52 -5.377 2.006 -4.154 1.00 0.00 O ATOM 847 CB PHE A 52 -3.326 3.658 -2.213 1.00 0.00 C ATOM 848 CG PHE A 52 -3.172 4.367 -0.866 1.00 0.00 C ATOM 849 CD1 PHE A 52 -3.522 5.676 -0.742 1.00 0.00 C ATOM 850 CD2 PHE A 52 -2.685 3.689 0.208 1.00 0.00 C ATOM 851 CE1 PHE A 52 -3.379 6.334 0.508 1.00 0.00 C ATOM 852 CE2 PHE A 52 -2.542 4.347 1.458 1.00 0.00 C ATOM 853 CZ PHE A 52 -2.892 5.656 1.582 1.00 0.00 C ATOM 0 H PHE A 52 -5.447 2.894 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.755 4.974 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.220 2.584 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.514 3.968 -2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.909 6.215 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.407 2.650 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.657 7.373 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.155 3.808 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.783 6.157 2.533 1.00 0.00 H new ATOM 863 N LYS A 53 -4.116 3.547 -5.227 1.00 0.00 N ATOM 864 CA LYS A 53 -4.117 2.830 -6.491 1.00 0.00 C ATOM 865 C LYS A 53 -2.834 2.004 -6.605 1.00 0.00 C ATOM 866 O LYS A 53 -1.806 2.506 -7.057 1.00 0.00 O ATOM 867 CB LYS A 53 -4.331 3.798 -7.656 1.00 0.00 C ATOM 868 CG LYS A 53 -5.708 3.597 -8.290 1.00 0.00 C ATOM 869 CD LYS A 53 -5.657 2.532 -9.388 1.00 0.00 C ATOM 870 CE LYS A 53 -6.091 3.111 -10.735 1.00 0.00 C ATOM 871 NZ LYS A 53 -7.015 2.183 -11.425 1.00 0.00 N ATOM 0 H LYS A 53 -3.597 4.425 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.952 2.130 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.236 4.825 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.555 3.646 -8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.425 3.301 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.060 4.540 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.645 2.135 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.306 1.698 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.579 4.074 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.216 3.292 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.300 2.592 -12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.537 1.274 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.858 2.031 -10.836 1.00 0.00 H new ATOM 885 N VAL A 54 -2.936 0.751 -6.186 1.00 0.00 N ATOM 886 CA VAL A 54 -1.796 -0.149 -6.236 1.00 0.00 C ATOM 887 C VAL A 54 -2.159 -1.380 -7.069 1.00 0.00 C ATOM 888 O VAL A 54 -2.964 -1.291 -7.996 1.00 0.00 O ATOM 889 CB VAL A 54 -1.345 -0.501 -4.817 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.174 -0.675 -4.752 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.819 0.553 -3.814 1.00 0.00 C ATOM 0 H VAL A 54 -3.790 0.338 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.949 0.335 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.803 -1.452 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.468 -0.925 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.477 -1.478 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.660 0.253 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.485 0.279 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.402 1.524 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.907 0.608 -3.831 1.00 0.00 H new ATOM 901 N ALA A 55 -1.549 -2.499 -6.710 1.00 0.00 N ATOM 902 CA ALA A 55 -1.798 -3.746 -7.414 1.00 0.00 C ATOM 903 C ALA A 55 -0.696 -4.750 -7.070 1.00 0.00 C ATOM 904 O ALA A 55 0.473 -4.381 -6.960 1.00 0.00 O ATOM 905 CB ALA A 55 -1.891 -3.475 -8.917 1.00 0.00 C ATOM 0 H ALA A 55 -0.883 -2.569 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.748 -4.179 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.078 -4.410 -9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.707 -2.780 -9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.954 -3.042 -9.267 1.00 0.00 H new ATOM 911 N ARG A 56 -1.106 -5.999 -6.909 1.00 0.00 N ATOM 912 CA ARG A 56 -0.168 -7.059 -6.579 1.00 0.00 C ATOM 913 C ARG A 56 1.197 -6.774 -7.208 1.00 0.00 C ATOM 914 O ARG A 56 2.226 -6.889 -6.545 1.00 0.00 O ATOM 915 CB ARG A 56 -0.675 -8.416 -7.071 1.00 0.00 C ATOM 916 CG ARG A 56 -2.020 -8.764 -6.431 1.00 0.00 C ATOM 917 CD ARG A 56 -1.889 -9.974 -5.504 1.00 0.00 C ATOM 918 NE ARG A 56 -2.103 -11.223 -6.269 1.00 0.00 N ATOM 919 CZ ARG A 56 -2.167 -12.442 -5.715 1.00 0.00 C ATOM 920 NH1 ARG A 56 -2.035 -12.583 -4.389 1.00 0.00 N ATOM 921 NH2 ARG A 56 -2.363 -13.519 -6.487 1.00 0.00 N ATOM 0 H ARG A 56 -2.076 -6.301 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.072 -7.091 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.778 -8.398 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.056 -9.189 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.391 -7.908 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.753 -8.975 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.901 -9.985 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.617 -9.904 -4.696 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.208 -11.152 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.886 -11.763 -3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.084 -13.511 -3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.464 -13.412 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.412 -14.447 -6.066 1.00 0.00 H new ATOM 935 N ARG A 57 1.162 -6.407 -8.481 1.00 0.00 N ATOM 936 CA ARG A 57 2.383 -6.104 -9.207 1.00 0.00 C ATOM 937 C ARG A 57 3.112 -4.929 -8.552 1.00 0.00 C ATOM 938 O ARG A 57 4.288 -5.037 -8.208 1.00 0.00 O ATOM 939 CB ARG A 57 2.086 -5.761 -10.668 1.00 0.00 C ATOM 940 CG ARG A 57 0.979 -6.658 -11.227 1.00 0.00 C ATOM 941 CD ARG A 57 -0.324 -5.876 -11.403 1.00 0.00 C ATOM 942 NE ARG A 57 -1.127 -6.470 -12.496 1.00 0.00 N ATOM 943 CZ ARG A 57 -0.754 -6.478 -13.783 1.00 0.00 C ATOM 944 NH1 ARG A 57 0.410 -5.924 -14.147 1.00 0.00 N ATOM 945 NH2 ARG A 57 -1.547 -7.039 -14.706 1.00 0.00 N ATOM 0 H ARG A 57 0.306 -6.313 -9.028 1.00 0.00 H new ATOM 0 HA ARG A 57 3.015 -6.991 -9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.787 -4.716 -10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.991 -5.879 -11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.291 -7.072 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.814 -7.500 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.894 -5.889 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.104 -4.832 -11.628 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.020 -6.900 -12.254 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.013 -5.496 -13.444 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.694 -5.930 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.434 -7.460 -14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.264 -7.045 -15.686 1.00 0.00 H new ATOM 959 N THR A 58 2.384 -3.833 -8.401 1.00 0.00 N ATOM 960 CA THR A 58 2.946 -2.638 -7.794 1.00 0.00 C ATOM 961 C THR A 58 3.411 -2.934 -6.366 1.00 0.00 C ATOM 962 O THR A 58 4.511 -2.547 -5.975 1.00 0.00 O ATOM 963 CB THR A 58 1.896 -1.528 -7.874 1.00 0.00 C ATOM 964 OG1 THR A 58 2.138 -0.912 -9.136 1.00 0.00 O ATOM 965 CG2 THR A 58 2.147 -0.411 -6.859 1.00 0.00 C ATOM 0 H THR A 58 1.409 -3.747 -8.689 1.00 0.00 H new ATOM 0 HA THR A 58 3.835 -2.303 -8.329 1.00 0.00 H new ATOM 0 HB THR A 58 0.906 -1.952 -7.709 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.499 -0.181 -9.271 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.374 0.351 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.123 -0.824 -5.850 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.123 0.037 -7.045 1.00 0.00 H new ATOM 973 N VAL A 59 2.549 -3.616 -5.627 1.00 0.00 N ATOM 974 CA VAL A 59 2.857 -3.968 -4.251 1.00 0.00 C ATOM 975 C VAL A 59 4.121 -4.829 -4.220 1.00 0.00 C ATOM 976 O VAL A 59 5.019 -4.591 -3.414 1.00 0.00 O ATOM 977 CB VAL A 59 1.651 -4.652 -3.603 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.732 -4.575 -2.077 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.340 -4.051 -4.114 1.00 0.00 C ATOM 0 H VAL A 59 1.637 -3.934 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 59 3.060 -3.072 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 59 1.670 -5.704 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.863 -5.068 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.640 -5.071 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.750 -3.531 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.501 -4.555 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.309 -2.988 -3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.277 -4.181 -5.194 1.00 0.00 H new ATOM 989 N ALA A 60 4.150 -5.812 -5.108 1.00 0.00 N ATOM 990 CA ALA A 60 5.290 -6.710 -5.192 1.00 0.00 C ATOM 991 C ALA A 60 6.570 -5.889 -5.352 1.00 0.00 C ATOM 992 O ALA A 60 7.590 -6.196 -4.736 1.00 0.00 O ATOM 993 CB ALA A 60 5.080 -7.693 -6.346 1.00 0.00 C ATOM 0 H ALA A 60 3.403 -6.006 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 60 5.386 -7.295 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.934 -8.367 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.173 -8.272 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.982 -7.141 -7.281 1.00 0.00 H new ATOM 999 N LYS A 61 6.476 -4.860 -6.181 1.00 0.00 N ATOM 1000 CA LYS A 61 7.615 -3.992 -6.429 1.00 0.00 C ATOM 1001 C LYS A 61 8.008 -3.289 -5.128 1.00 0.00 C ATOM 1002 O LYS A 61 9.191 -3.185 -4.808 1.00 0.00 O ATOM 1003 CB LYS A 61 7.315 -3.030 -7.581 1.00 0.00 C ATOM 1004 CG LYS A 61 8.264 -3.270 -8.757 1.00 0.00 C ATOM 1005 CD LYS A 61 7.837 -2.457 -9.980 1.00 0.00 C ATOM 1006 CE LYS A 61 7.124 -3.341 -11.005 1.00 0.00 C ATOM 1007 NZ LYS A 61 7.267 -2.777 -12.366 1.00 0.00 N ATOM 0 H LYS A 61 5.629 -4.608 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 61 8.477 -4.577 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.284 -3.160 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.412 -2.001 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.280 -2.997 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.278 -4.331 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.176 -1.648 -9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.712 -1.996 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.540 -4.348 -10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.068 -3.425 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.777 -3.390 -13.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.849 -1.825 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.275 -2.720 -12.614 1.00 0.00 H new ATOM 1021 N TYR A 62 6.993 -2.826 -4.413 1.00 0.00 N ATOM 1022 CA TYR A 62 7.218 -2.136 -3.154 1.00 0.00 C ATOM 1023 C TYR A 62 7.838 -3.075 -2.118 1.00 0.00 C ATOM 1024 O TYR A 62 8.755 -2.689 -1.395 1.00 0.00 O ATOM 1025 CB TYR A 62 5.838 -1.694 -2.663 1.00 0.00 C ATOM 1026 CG TYR A 62 5.447 -0.280 -3.096 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.436 0.054 -4.435 1.00 0.00 C ATOM 1028 CD2 TYR A 62 5.105 0.662 -2.147 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.068 1.385 -4.842 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.737 1.993 -2.554 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.736 2.289 -3.881 1.00 0.00 C ATOM 1032 OH TYR A 62 4.389 3.547 -4.265 1.00 0.00 O ATOM 0 H TYR A 62 6.013 -2.915 -4.681 1.00 0.00 H new ATOM 0 HA TYR A 62 7.901 -1.298 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.090 -2.396 -3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.816 -1.749 -1.575 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.703 -0.683 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.113 0.401 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.056 1.660 -5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.468 2.740 -1.822 1.00 0.00 H new ATOM 0 HH TYR A 62 4.978 4.197 -3.827 1.00 0.00 H new ATOM 1042 N ARG A 63 7.313 -4.291 -2.079 1.00 0.00 N ATOM 1043 CA ARG A 63 7.804 -5.288 -1.143 1.00 0.00 C ATOM 1044 C ARG A 63 9.324 -5.420 -1.256 1.00 0.00 C ATOM 1045 O ARG A 63 10.019 -5.520 -0.246 1.00 0.00 O ATOM 1046 CB ARG A 63 7.160 -6.652 -1.403 1.00 0.00 C ATOM 1047 CG ARG A 63 7.705 -7.708 -0.440 1.00 0.00 C ATOM 1048 CD ARG A 63 7.811 -9.072 -1.125 1.00 0.00 C ATOM 1049 NE ARG A 63 8.852 -9.891 -0.465 1.00 0.00 N ATOM 1050 CZ ARG A 63 9.197 -11.125 -0.856 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.587 -11.690 -1.907 1.00 0.00 N ATOM 1052 NH2 ARG A 63 10.153 -11.794 -0.197 1.00 0.00 N ATOM 0 H ARG A 63 6.553 -4.608 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 63 7.538 -4.959 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.079 -6.575 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.352 -6.959 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.686 -7.402 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.052 -7.784 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.851 -9.586 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.054 -8.941 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 63 9.337 -9.491 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.860 -11.180 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.850 -12.630 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.618 -11.364 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.416 -12.734 -0.495 1.00 0.00 H new ATOM 1066 N GLU A 64 9.796 -5.416 -2.495 1.00 0.00 N ATOM 1067 CA GLU A 64 11.221 -5.534 -2.753 1.00 0.00 C ATOM 1068 C GLU A 64 11.943 -4.252 -2.336 1.00 0.00 C ATOM 1069 O GLU A 64 13.063 -4.303 -1.829 1.00 0.00 O ATOM 1070 CB GLU A 64 11.486 -5.860 -4.224 1.00 0.00 C ATOM 1071 CG GLU A 64 12.267 -7.167 -4.365 1.00 0.00 C ATOM 1072 CD GLU A 64 12.845 -7.313 -5.774 1.00 0.00 C ATOM 1073 OE1 GLU A 64 12.041 -7.233 -6.728 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.077 -7.500 -5.866 1.00 0.00 O ATOM 0 H GLU A 64 9.217 -5.333 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 64 11.612 -6.358 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.539 -5.939 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.046 -5.046 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.074 -7.193 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.612 -8.011 -4.148 1.00 0.00 H new ATOM 1081 N MET A 65 11.274 -3.132 -2.565 1.00 0.00 N ATOM 1082 CA MET A 65 11.839 -1.838 -2.220 1.00 0.00 C ATOM 1083 C MET A 65 11.945 -1.675 -0.702 1.00 0.00 C ATOM 1084 O MET A 65 12.772 -0.906 -0.214 1.00 0.00 O ATOM 1085 CB MET A 65 10.957 -0.727 -2.793 1.00 0.00 C ATOM 1086 CG MET A 65 11.090 -0.651 -4.315 1.00 0.00 C ATOM 1087 SD MET A 65 10.534 0.942 -4.898 1.00 0.00 S ATOM 1088 CE MET A 65 9.128 0.440 -5.876 1.00 0.00 C ATOM 0 H MET A 65 10.345 -3.093 -2.985 1.00 0.00 H new ATOM 0 HA MET A 65 12.841 -1.774 -2.645 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.916 -0.909 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.238 0.229 -2.352 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.128 -0.812 -4.606 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.502 -1.443 -4.780 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.659 1.320 -6.317 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.457 -0.232 -6.669 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.408 -0.075 -5.240 1.00 0.00 H new ATOM 1098 N LEU A 66 11.097 -2.410 0.002 1.00 0.00 N ATOM 1099 CA LEU A 66 11.086 -2.356 1.453 1.00 0.00 C ATOM 1100 C LEU A 66 10.596 -3.696 2.006 1.00 0.00 C ATOM 1101 O LEU A 66 11.316 -4.369 2.741 1.00 0.00 O ATOM 1102 CB LEU A 66 10.271 -1.156 1.939 1.00 0.00 C ATOM 1103 CG LEU A 66 8.883 -0.992 1.316 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.788 -1.423 2.294 1.00 0.00 C ATOM 1105 CD2 LEU A 66 8.672 0.438 0.815 1.00 0.00 C ATOM 0 H LEU A 66 10.412 -3.046 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 66 12.095 -2.203 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.155 -1.234 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.844 -0.250 1.744 1.00 0.00 H new ATOM 0 HG LEU A 66 8.818 -1.650 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.812 -1.296 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.930 -2.470 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.842 -0.810 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.678 0.527 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.765 1.133 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.423 0.674 0.061 1.00 0.00 H new ATOM 1117 N GLY A 67 9.374 -4.043 1.629 1.00 0.00 N ATOM 1118 CA GLY A 67 8.779 -5.291 2.078 1.00 0.00 C ATOM 1119 C GLY A 67 7.548 -5.030 2.948 1.00 0.00 C ATOM 1120 O GLY A 67 7.674 -4.723 4.132 1.00 0.00 O ATOM 0 H GLY A 67 8.780 -3.482 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.498 -5.895 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.513 -5.865 2.643 1.00 0.00 H new TER 1124 GLY A 67