USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 786 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 Single : A 3 TYR OH : rot 130:sc= -0.89 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 MET CE :methyl 147:sc= -0.0401 (180deg=-0.767) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 110:sc= -0.0478 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= 1.24 (180deg=0.369) USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= 0.1 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -12! C(o=-12!,f=-15!) USER MOD Single : A 46 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.379) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl -162:sc= -0.463 (180deg=-0.676) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot -118:sc= 0.304 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ -136:sc= 0.625 (180deg=0.0538) USER MOD Single : B 40 HIS : no HE2:sc= -3.61! X(o=-3.6!,f=-4) USER MOD Single : B 46 THR OG1 : rot 72:sc= 0.995 USER MOD Single : B 48 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 -3.536 -15.674 -5.685 1.00 0.00 N ATOM 33 CA TYR A 3 -2.312 -15.791 -4.861 1.00 0.00 C ATOM 34 C TYR A 3 -2.064 -14.629 -3.857 1.00 0.00 C ATOM 35 O TYR A 3 -0.924 -14.230 -3.606 1.00 0.00 O ATOM 36 CB TYR A 3 -1.105 -16.147 -5.762 1.00 0.00 C ATOM 37 CG TYR A 3 -0.800 -15.269 -6.972 1.00 0.00 C ATOM 38 CD1 TYR A 3 -0.334 -13.947 -6.821 1.00 0.00 C ATOM 39 CD2 TYR A 3 -0.934 -15.809 -8.267 1.00 0.00 C ATOM 40 CE1 TYR A 3 -0.052 -13.153 -7.949 1.00 0.00 C ATOM 41 CE2 TYR A 3 -0.617 -15.031 -9.397 1.00 0.00 C ATOM 42 CZ TYR A 3 -0.189 -13.696 -9.242 1.00 0.00 C ATOM 43 OH TYR A 3 0.098 -12.941 -10.336 1.00 0.00 O ATOM 0 HA TYR A 3 -2.469 -16.622 -4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -0.216 -16.158 -5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.253 -17.165 -6.123 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.192 -13.540 -5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.281 -16.824 -8.393 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.269 -12.129 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.702 -15.458 -10.385 1.00 0.00 H new ATOM 0 HH TYR A 3 0.699 -13.439 -10.928 1.00 0.00 H new ATOM 53 N LEU A 4 -3.137 -14.056 -3.287 1.00 0.00 N ATOM 54 CA LEU A 4 -3.178 -12.642 -2.870 1.00 0.00 C ATOM 55 C LEU A 4 -2.174 -12.175 -1.815 1.00 0.00 C ATOM 56 O LEU A 4 -1.870 -10.983 -1.739 1.00 0.00 O ATOM 57 CB LEU A 4 -4.585 -12.209 -2.406 1.00 0.00 C ATOM 58 CG LEU A 4 -5.762 -13.143 -2.692 1.00 0.00 C ATOM 59 CD1 LEU A 4 -5.895 -14.250 -1.643 1.00 0.00 C ATOM 60 CD2 LEU A 4 -7.059 -12.346 -2.695 1.00 0.00 C ATOM 0 H LEU A 4 -4.004 -14.561 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.880 -12.153 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.544 -12.046 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.805 -11.246 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.573 -13.602 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.745 -14.886 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.985 -14.850 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.050 -13.804 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.896 -13.014 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.199 -11.875 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.012 -11.577 -3.466 1.00 0.00 H new ATOM 72 N ARG A 5 -1.651 -13.088 -1.001 1.00 0.00 N ATOM 73 CA ARG A 5 -0.601 -12.763 -0.020 1.00 0.00 C ATOM 74 C ARG A 5 0.624 -12.103 -0.655 1.00 0.00 C ATOM 75 O ARG A 5 1.165 -11.171 -0.070 1.00 0.00 O ATOM 76 CB ARG A 5 -0.199 -14.015 0.778 1.00 0.00 C ATOM 77 CG ARG A 5 -1.278 -14.436 1.787 1.00 0.00 C ATOM 78 CD ARG A 5 -0.862 -15.724 2.509 1.00 0.00 C ATOM 79 NE ARG A 5 -1.804 -16.067 3.594 1.00 0.00 N ATOM 80 CZ ARG A 5 -1.666 -15.824 4.888 1.00 0.00 C ATOM 81 NH1 ARG A 5 -0.633 -15.196 5.376 1.00 0.00 N ATOM 82 NH2 ARG A 5 -2.580 -16.212 5.729 1.00 0.00 N ATOM 0 H ARG A 5 -1.935 -14.068 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.026 -12.029 0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.010 -14.837 0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.734 -13.822 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.436 -13.639 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.226 -14.590 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.816 -16.545 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.140 -15.604 2.921 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.660 -16.546 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.107 -14.872 4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.565 -15.029 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.407 -16.705 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.470 -16.023 6.725 1.00 0.00 H new ATOM 96 N GLU A 6 1.031 -12.499 -1.863 1.00 0.00 N ATOM 97 CA GLU A 6 2.120 -11.872 -2.600 1.00 0.00 C ATOM 98 C GLU A 6 1.811 -10.425 -3.026 1.00 0.00 C ATOM 99 O GLU A 6 2.721 -9.602 -3.107 1.00 0.00 O ATOM 100 CB GLU A 6 2.397 -12.757 -3.819 1.00 0.00 C ATOM 101 CG GLU A 6 3.350 -13.909 -3.480 1.00 0.00 C ATOM 102 CD GLU A 6 3.722 -14.731 -4.730 1.00 0.00 C ATOM 103 OE1 GLU A 6 4.574 -14.272 -5.530 1.00 0.00 O ATOM 104 OE2 GLU A 6 3.196 -15.858 -4.902 1.00 0.00 O ATOM 0 H GLU A 6 0.602 -13.279 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 6 2.995 -11.794 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.458 -13.161 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.827 -12.152 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.256 -13.509 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.884 -14.561 -2.742 1.00 0.00 H new ATOM 111 N LEU A 7 0.536 -10.090 -3.251 1.00 0.00 N ATOM 112 CA LEU A 7 0.077 -8.732 -3.563 1.00 0.00 C ATOM 113 C LEU A 7 0.066 -7.840 -2.328 1.00 0.00 C ATOM 114 O LEU A 7 0.636 -6.750 -2.341 1.00 0.00 O ATOM 115 CB LEU A 7 -1.305 -8.807 -4.224 1.00 0.00 C ATOM 116 CG LEU A 7 -1.187 -9.377 -5.642 1.00 0.00 C ATOM 117 CD1 LEU A 7 -1.692 -10.807 -5.731 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.977 -8.551 -6.650 1.00 0.00 C ATOM 0 H LEU A 7 -0.223 -10.771 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 7 0.778 -8.274 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.968 -9.434 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.753 -7.814 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.123 -9.346 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.588 -11.167 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.109 -11.441 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.742 -10.841 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.868 -8.987 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.030 -8.545 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.598 -7.529 -6.659 1.00 0.00 H new ATOM 130 N TYR A 8 -0.487 -8.346 -1.229 1.00 0.00 N ATOM 131 CA TYR A 8 -0.332 -7.758 0.107 1.00 0.00 C ATOM 132 C TYR A 8 1.132 -7.440 0.440 1.00 0.00 C ATOM 133 O TYR A 8 1.465 -6.304 0.784 1.00 0.00 O ATOM 134 CB TYR A 8 -0.957 -8.732 1.121 1.00 0.00 C ATOM 135 CG TYR A 8 -1.780 -8.134 2.253 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.457 -6.886 2.827 1.00 0.00 C ATOM 137 CD2 TYR A 8 -2.907 -8.843 2.721 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.275 -6.342 3.837 1.00 0.00 C ATOM 139 CE2 TYR A 8 -3.726 -8.301 3.733 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.412 -7.044 4.290 1.00 0.00 C ATOM 141 OH TYR A 8 -4.190 -6.502 5.268 1.00 0.00 O ATOM 0 H TYR A 8 -1.064 -9.187 -1.237 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.846 -6.798 0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.594 -9.426 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.152 -9.319 1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.583 -6.348 2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.144 -9.809 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.030 -5.382 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.591 -8.847 4.080 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.934 -7.108 5.467 1.00 0.00 H new ATOM 151 N LYS A 9 2.019 -8.413 0.227 1.00 0.00 N ATOM 152 CA LYS A 9 3.480 -8.311 0.416 1.00 0.00 C ATOM 153 C LYS A 9 4.227 -7.419 -0.592 1.00 0.00 C ATOM 154 O LYS A 9 5.448 -7.301 -0.504 1.00 0.00 O ATOM 155 CB LYS A 9 4.065 -9.730 0.478 1.00 0.00 C ATOM 156 CG LYS A 9 3.687 -10.424 1.797 1.00 0.00 C ATOM 157 CD LYS A 9 3.946 -11.930 1.707 1.00 0.00 C ATOM 158 CE LYS A 9 3.870 -12.560 3.104 1.00 0.00 C ATOM 159 NZ LYS A 9 4.279 -13.990 3.087 1.00 0.00 N ATOM 0 H LYS A 9 1.733 -9.337 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 9 3.636 -7.786 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.697 -10.316 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.150 -9.684 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.266 -9.998 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.636 -10.243 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.212 -12.395 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.927 -12.113 1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.513 -12.006 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.852 -12.477 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.215 -14.381 4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.650 -14.523 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.259 -14.067 2.747 1.00 0.00 H new ATOM 173 N LEU A 10 3.509 -6.734 -1.482 1.00 0.00 N ATOM 174 CA LEU A 10 4.020 -5.639 -2.320 1.00 0.00 C ATOM 175 C LEU A 10 3.332 -4.306 -1.984 1.00 0.00 C ATOM 176 O LEU A 10 4.007 -3.285 -1.858 1.00 0.00 O ATOM 177 CB LEU A 10 3.830 -5.993 -3.809 1.00 0.00 C ATOM 178 CG LEU A 10 4.730 -7.137 -4.317 1.00 0.00 C ATOM 179 CD1 LEU A 10 4.285 -7.557 -5.718 1.00 0.00 C ATOM 180 CD2 LEU A 10 6.200 -6.730 -4.403 1.00 0.00 C ATOM 0 H LEU A 10 2.522 -6.930 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 10 5.083 -5.515 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.788 -6.268 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.023 -5.103 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 10 4.633 -7.953 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.923 -8.366 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.250 -7.899 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.364 -6.707 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.790 -7.572 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.305 -5.890 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.555 -6.438 -3.415 1.00 0.00 H new ATOM 192 N GLU A 11 2.013 -4.299 -1.774 1.00 0.00 N ATOM 193 CA GLU A 11 1.242 -3.076 -1.516 1.00 0.00 C ATOM 194 C GLU A 11 1.514 -2.496 -0.114 1.00 0.00 C ATOM 195 O GLU A 11 1.727 -1.289 0.019 1.00 0.00 O ATOM 196 CB GLU A 11 -0.255 -3.375 -1.714 1.00 0.00 C ATOM 197 CG GLU A 11 -0.659 -3.650 -3.175 1.00 0.00 C ATOM 198 CD GLU A 11 -0.926 -2.358 -3.957 1.00 0.00 C ATOM 199 OE1 GLU A 11 -0.176 -1.370 -4.036 1.00 0.00 O ATOM 200 OE2 GLU A 11 -2.008 -2.032 -4.474 1.00 0.00 O ATOM 0 H GLU A 11 1.445 -5.146 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 11 1.560 -2.313 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.524 -4.239 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.835 -2.530 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.132 -4.214 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.553 -4.274 -3.191 1.00 0.00 H new ATOM 207 N GLN A 12 1.590 -3.330 0.934 1.00 0.00 N ATOM 208 CA GLN A 12 2.004 -2.892 2.268 1.00 0.00 C ATOM 209 C GLN A 12 3.517 -2.606 2.337 1.00 0.00 C ATOM 210 O GLN A 12 3.951 -1.716 3.070 1.00 0.00 O ATOM 211 CB GLN A 12 1.592 -3.944 3.305 1.00 0.00 C ATOM 212 CG GLN A 12 0.351 -3.516 4.101 1.00 0.00 C ATOM 213 CD GLN A 12 0.575 -2.429 5.156 1.00 0.00 C ATOM 214 OE1 GLN A 12 1.529 -1.665 5.147 1.00 0.00 O ATOM 215 NE2 GLN A 12 -0.312 -2.313 6.123 1.00 0.00 N ATOM 0 H GLN A 12 1.366 -4.324 0.877 1.00 0.00 H new ATOM 0 HA GLN A 12 1.499 -1.952 2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.391 -4.889 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.420 -4.119 3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.404 -3.163 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.061 -4.396 4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.118 -2.938 6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.193 -1.598 6.841 1.00 0.00 H new ATOM 224 N GLN A 13 4.334 -3.304 1.537 1.00 0.00 N ATOM 225 CA GLN A 13 5.766 -3.003 1.404 1.00 0.00 C ATOM 226 C GLN A 13 6.005 -1.593 0.841 1.00 0.00 C ATOM 227 O GLN A 13 6.828 -0.847 1.370 1.00 0.00 O ATOM 228 CB GLN A 13 6.467 -4.076 0.569 1.00 0.00 C ATOM 229 CG GLN A 13 7.490 -4.865 1.403 1.00 0.00 C ATOM 230 CD GLN A 13 8.280 -5.895 0.592 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.585 -5.726 -0.581 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.683 -6.995 1.198 1.00 0.00 N ATOM 0 H GLN A 13 4.023 -4.090 0.966 1.00 0.00 H new ATOM 0 HA GLN A 13 6.204 -3.016 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.725 -4.761 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.970 -3.608 -0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.188 -4.165 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.969 -5.375 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.441 -7.157 2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.237 -7.684 0.689 1.00 0.00 H new ATOM 241 N ALA A 14 5.237 -1.193 -0.177 1.00 0.00 N ATOM 242 CA ALA A 14 5.237 0.173 -0.689 1.00 0.00 C ATOM 243 C ALA A 14 4.715 1.182 0.357 1.00 0.00 C ATOM 244 O ALA A 14 5.363 2.196 0.604 1.00 0.00 O ATOM 245 CB ALA A 14 4.429 0.195 -1.990 1.00 0.00 C ATOM 0 H ALA A 14 4.595 -1.815 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 14 6.258 0.490 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.415 1.208 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.888 -0.477 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.408 -0.130 -1.790 1.00 0.00 H new ATOM 251 N MET A 15 3.601 0.888 1.044 1.00 0.00 N ATOM 252 CA MET A 15 3.051 1.715 2.138 1.00 0.00 C ATOM 253 C MET A 15 4.074 2.025 3.244 1.00 0.00 C ATOM 254 O MET A 15 4.198 3.177 3.668 1.00 0.00 O ATOM 255 CB MET A 15 1.817 1.001 2.713 1.00 0.00 C ATOM 256 CG MET A 15 1.213 1.646 3.966 1.00 0.00 C ATOM 257 SD MET A 15 0.734 3.390 3.829 1.00 0.00 S ATOM 258 CE MET A 15 -0.420 3.263 2.439 1.00 0.00 C ATOM 0 H MET A 15 3.044 0.055 0.854 1.00 0.00 H new ATOM 0 HA MET A 15 2.775 2.684 1.723 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.049 0.958 1.940 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.090 -0.028 2.949 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.332 1.072 4.254 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.934 1.553 4.778 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.215 3.999 2.558 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.112 3.451 1.506 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.852 2.263 2.415 1.00 0.00 H new ATOM 268 N LYS A 16 4.849 1.021 3.676 1.00 0.00 N ATOM 269 CA LYS A 16 5.954 1.156 4.646 1.00 0.00 C ATOM 270 C LYS A 16 6.992 2.211 4.254 1.00 0.00 C ATOM 271 O LYS A 16 7.532 2.893 5.121 1.00 0.00 O ATOM 272 CB LYS A 16 6.649 -0.210 4.800 1.00 0.00 C ATOM 273 CG LYS A 16 6.343 -0.914 6.131 1.00 0.00 C ATOM 274 CD LYS A 16 7.045 -0.242 7.323 1.00 0.00 C ATOM 275 CE LYS A 16 6.796 -1.044 8.607 1.00 0.00 C ATOM 276 NZ LYS A 16 7.514 -0.455 9.769 1.00 0.00 N ATOM 0 H LYS A 16 4.724 0.062 3.353 1.00 0.00 H new ATOM 0 HA LYS A 16 5.514 1.490 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.343 -0.858 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.727 -0.071 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.266 -0.914 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.656 -1.956 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.116 -0.172 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.676 0.776 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.727 -1.074 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.121 -2.074 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.323 -1.023 10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.536 -0.450 9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.185 0.520 9.922 1.00 0.00 H new ATOM 290 N LEU A 17 7.267 2.344 2.958 1.00 0.00 N ATOM 291 CA LEU A 17 8.249 3.263 2.399 1.00 0.00 C ATOM 292 C LEU A 17 7.632 4.636 2.142 1.00 0.00 C ATOM 293 O LEU A 17 8.263 5.654 2.424 1.00 0.00 O ATOM 294 CB LEU A 17 8.751 2.660 1.085 1.00 0.00 C ATOM 295 CG LEU A 17 9.489 1.337 1.286 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.698 0.631 -0.054 1.00 0.00 C ATOM 297 CD2 LEU A 17 10.846 1.496 1.975 1.00 0.00 C ATOM 0 H LEU A 17 6.792 1.792 2.243 1.00 0.00 H new ATOM 0 HA LEU A 17 9.070 3.401 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.905 2.501 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.416 3.371 0.594 1.00 0.00 H new ATOM 0 HG LEU A 17 8.854 0.740 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.225 -0.309 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.731 0.430 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.288 1.268 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.315 0.518 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.487 2.139 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.704 1.944 2.959 1.00 0.00 H new ATOM 309 N TYR A 18 6.382 4.669 1.675 1.00 0.00 N ATOM 310 CA TYR A 18 5.649 5.901 1.394 1.00 0.00 C ATOM 311 C TYR A 18 5.386 6.761 2.645 1.00 0.00 C ATOM 312 O TYR A 18 5.234 7.977 2.522 1.00 0.00 O ATOM 313 CB TYR A 18 4.342 5.540 0.673 1.00 0.00 C ATOM 314 CG TYR A 18 4.457 5.241 -0.817 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.146 6.126 -1.674 1.00 0.00 C ATOM 316 CD2 TYR A 18 3.814 4.112 -1.363 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.234 5.860 -3.054 1.00 0.00 C ATOM 318 CE2 TYR A 18 3.901 3.841 -2.743 1.00 0.00 C ATOM 319 CZ TYR A 18 4.629 4.703 -3.589 1.00 0.00 C ATOM 320 OH TYR A 18 4.699 4.437 -4.921 1.00 0.00 O ATOM 0 H TYR A 18 5.844 3.825 1.479 1.00 0.00 H new ATOM 0 HA TYR A 18 6.272 6.525 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.908 4.669 1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.639 6.363 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.609 7.013 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.252 3.451 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.764 6.541 -3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.409 2.972 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 18 5.285 3.666 -5.070 1.00 0.00 H new ATOM 330 N ARG A 19 5.392 6.167 3.849 1.00 0.00 N ATOM 331 CA ARG A 19 5.362 6.898 5.136 1.00 0.00 C ATOM 332 C ARG A 19 6.741 7.298 5.690 1.00 0.00 C ATOM 333 O ARG A 19 6.804 8.073 6.642 1.00 0.00 O ATOM 334 CB ARG A 19 4.540 6.107 6.171 1.00 0.00 C ATOM 335 CG ARG A 19 5.190 4.779 6.601 1.00 0.00 C ATOM 336 CD ARG A 19 4.339 4.022 7.627 1.00 0.00 C ATOM 337 NE ARG A 19 3.021 3.638 7.079 1.00 0.00 N ATOM 338 CZ ARG A 19 1.977 3.220 7.772 1.00 0.00 C ATOM 339 NH1 ARG A 19 2.037 3.003 9.056 1.00 0.00 N ATOM 340 NH2 ARG A 19 0.834 3.016 7.184 1.00 0.00 N ATOM 0 H ARG A 19 5.418 5.154 3.963 1.00 0.00 H new ATOM 0 HA ARG A 19 4.874 7.851 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.390 6.729 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.554 5.900 5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.342 4.150 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.174 4.979 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.872 3.128 7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.197 4.645 8.510 1.00 0.00 H new ATOM 0 HE ARG A 19 2.907 3.702 6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.911 3.156 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.210 2.680 9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.740 3.179 6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.032 2.693 7.726 1.00 0.00 H new ATOM 354 N GLU A 20 7.837 6.800 5.112 1.00 0.00 N ATOM 355 CA GLU A 20 9.214 7.049 5.578 1.00 0.00 C ATOM 356 C GLU A 20 9.909 8.080 4.677 1.00 0.00 C ATOM 357 O GLU A 20 10.284 9.169 5.120 1.00 0.00 O ATOM 358 CB GLU A 20 9.973 5.707 5.582 1.00 0.00 C ATOM 359 CG GLU A 20 11.102 5.618 6.619 1.00 0.00 C ATOM 360 CD GLU A 20 12.270 6.587 6.347 1.00 0.00 C ATOM 361 OE1 GLU A 20 12.906 6.495 5.269 1.00 0.00 O ATOM 362 OE2 GLU A 20 12.578 7.428 7.226 1.00 0.00 O ATOM 0 H GLU A 20 7.797 6.199 4.289 1.00 0.00 H new ATOM 0 HA GLU A 20 9.201 7.461 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.262 4.902 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.393 5.539 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.693 5.825 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.485 4.598 6.640 1.00 0.00 H new ATOM 369 N ALA A 21 9.980 7.774 3.381 1.00 0.00 N ATOM 370 CA ALA A 21 10.452 8.647 2.305 1.00 0.00 C ATOM 371 C ALA A 21 9.394 9.704 1.930 1.00 0.00 C ATOM 372 O ALA A 21 8.916 9.764 0.798 1.00 0.00 O ATOM 373 CB ALA A 21 10.875 7.767 1.123 1.00 0.00 C ATOM 0 H ALA A 21 9.693 6.859 3.034 1.00 0.00 H new ATOM 0 HA ALA A 21 11.318 9.220 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.231 8.398 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.674 7.095 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.022 7.181 0.782 1.00 0.00 H new ATOM 379 N SER A 22 9.008 10.523 2.911 1.00 0.00 N ATOM 380 CA SER A 22 7.952 11.540 2.800 1.00 0.00 C ATOM 381 C SER A 22 8.392 12.871 3.394 1.00 0.00 C ATOM 382 O SER A 22 8.350 13.902 2.725 1.00 0.00 O ATOM 383 CB SER A 22 6.702 11.046 3.533 1.00 0.00 C ATOM 384 OG SER A 22 5.564 11.786 3.127 1.00 0.00 O ATOM 0 H SER A 22 9.435 10.498 3.837 1.00 0.00 H new ATOM 0 HA SER A 22 7.738 11.697 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.547 9.987 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.842 11.144 4.610 1.00 0.00 H new ATOM 0 HG SER A 22 4.773 11.457 3.603 1.00 0.00 H new ATOM 390 N GLU A 23 8.916 12.841 4.622 1.00 0.00 N ATOM 391 CA GLU A 23 9.408 14.042 5.317 1.00 0.00 C ATOM 392 C GLU A 23 10.733 14.547 4.720 1.00 0.00 C ATOM 393 O GLU A 23 10.987 15.754 4.686 1.00 0.00 O ATOM 394 CB GLU A 23 9.577 13.758 6.820 1.00 0.00 C ATOM 395 CG GLU A 23 8.240 13.458 7.512 1.00 0.00 C ATOM 396 CD GLU A 23 8.423 13.335 9.037 1.00 0.00 C ATOM 397 OE1 GLU A 23 8.735 12.224 9.531 1.00 0.00 O ATOM 398 OE2 GLU A 23 8.247 14.349 9.759 1.00 0.00 O ATOM 0 H GLU A 23 9.013 11.984 5.166 1.00 0.00 H new ATOM 0 HA GLU A 23 8.664 14.827 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.250 12.911 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.046 14.617 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.526 14.251 7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.821 12.533 7.117 1.00 0.00 H new ATOM 405 N ARG A 24 11.560 13.623 4.207 1.00 0.00 N ATOM 406 CA ARG A 24 12.825 13.918 3.513 1.00 0.00 C ATOM 407 C ARG A 24 12.623 14.345 2.048 1.00 0.00 C ATOM 408 O ARG A 24 13.429 15.116 1.525 1.00 0.00 O ATOM 409 CB ARG A 24 13.744 12.688 3.640 1.00 0.00 C ATOM 410 CG ARG A 24 15.232 13.047 3.501 1.00 0.00 C ATOM 411 CD ARG A 24 16.117 11.807 3.690 1.00 0.00 C ATOM 412 NE ARG A 24 17.540 12.175 3.829 1.00 0.00 N ATOM 413 CZ ARG A 24 18.575 11.352 3.828 1.00 0.00 C ATOM 414 NH1 ARG A 24 18.444 10.069 3.636 1.00 0.00 N ATOM 415 NH2 ARG A 24 19.778 11.811 4.027 1.00 0.00 N ATOM 0 H ARG A 24 11.363 12.624 4.264 1.00 0.00 H new ATOM 0 HA ARG A 24 13.295 14.779 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.577 12.212 4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.477 11.959 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.415 13.482 2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.498 13.804 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.794 11.259 4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.994 11.138 2.838 1.00 0.00 H new ATOM 0 HE ARG A 24 17.746 13.168 3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.519 9.669 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.266 9.466 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.924 12.808 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.574 11.173 4.026 1.00 0.00 H new ATOM 429 N VAL A 25 11.546 13.880 1.399 1.00 0.00 N ATOM 430 CA VAL A 25 11.207 14.222 -0.001 1.00 0.00 C ATOM 431 C VAL A 25 10.416 15.539 -0.094 1.00 0.00 C ATOM 432 O VAL A 25 10.774 16.419 -0.877 1.00 0.00 O ATOM 433 CB VAL A 25 10.433 13.075 -0.681 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.141 13.378 -2.156 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.213 11.755 -0.649 1.00 0.00 C ATOM 0 H VAL A 25 10.873 13.247 1.832 1.00 0.00 H new ATOM 0 HA VAL A 25 12.148 14.365 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 25 9.505 12.984 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.594 12.545 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.541 14.285 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.080 13.520 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.630 10.976 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.162 11.880 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.403 11.470 0.386 1.00 0.00 H new ATOM 445 N GLY A 26 9.369 15.704 0.724 1.00 0.00 N ATOM 446 CA GLY A 26 8.616 16.955 0.900 1.00 0.00 C ATOM 447 C GLY A 26 7.475 17.227 -0.099 1.00 0.00 C ATOM 448 O GLY A 26 6.718 18.179 0.099 1.00 0.00 O ATOM 0 H GLY A 26 9.009 14.945 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.195 16.959 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.320 17.785 0.846 1.00 0.00 H new ATOM 452 N ASP A 27 7.327 16.434 -1.167 1.00 0.00 N ATOM 453 CA ASP A 27 6.290 16.634 -2.196 1.00 0.00 C ATOM 454 C ASP A 27 4.850 16.366 -1.685 1.00 0.00 C ATOM 455 O ASP A 27 4.627 15.383 -0.971 1.00 0.00 O ATOM 456 CB ASP A 27 6.584 15.742 -3.413 1.00 0.00 C ATOM 457 CG ASP A 27 7.572 16.421 -4.373 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.127 17.276 -5.176 1.00 0.00 O ATOM 459 OD2 ASP A 27 8.785 16.115 -4.322 1.00 0.00 O ATOM 0 H ASP A 27 7.926 15.628 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 27 6.330 17.687 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.994 14.789 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.655 15.522 -3.939 1.00 0.00 H new ATOM 464 N PRO A 28 3.846 17.179 -2.081 1.00 0.00 N ATOM 465 CA PRO A 28 2.465 17.044 -1.602 1.00 0.00 C ATOM 466 C PRO A 28 1.724 15.834 -2.194 1.00 0.00 C ATOM 467 O PRO A 28 0.931 15.200 -1.498 1.00 0.00 O ATOM 468 CB PRO A 28 1.780 18.363 -1.980 1.00 0.00 C ATOM 469 CG PRO A 28 2.547 18.833 -3.215 1.00 0.00 C ATOM 470 CD PRO A 28 3.971 18.351 -2.939 1.00 0.00 C ATOM 0 HA PRO A 28 2.451 16.859 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.722 18.216 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.840 19.091 -1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.144 18.399 -4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.503 19.916 -3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.484 18.100 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.558 19.130 -2.451 1.00 0.00 H new ATOM 478 N VAL A 29 1.995 15.462 -3.454 1.00 0.00 N ATOM 479 CA VAL A 29 1.385 14.282 -4.104 1.00 0.00 C ATOM 480 C VAL A 29 1.767 12.966 -3.419 1.00 0.00 C ATOM 481 O VAL A 29 0.988 12.020 -3.429 1.00 0.00 O ATOM 482 CB VAL A 29 1.685 14.267 -5.618 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.155 13.975 -5.947 1.00 0.00 C ATOM 484 CG2 VAL A 29 0.800 13.270 -6.373 1.00 0.00 C ATOM 0 H VAL A 29 2.644 15.969 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 29 0.305 14.371 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 29 1.458 15.280 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.294 13.980 -7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.788 14.740 -5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.429 12.998 -5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.047 13.295 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.970 12.266 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.248 13.539 -6.238 1.00 0.00 H new ATOM 494 N LEU A 30 2.910 12.914 -2.731 1.00 0.00 N ATOM 495 CA LEU A 30 3.350 11.757 -1.942 1.00 0.00 C ATOM 496 C LEU A 30 2.348 11.407 -0.816 1.00 0.00 C ATOM 497 O LEU A 30 2.090 10.232 -0.550 1.00 0.00 O ATOM 498 CB LEU A 30 4.771 12.065 -1.427 1.00 0.00 C ATOM 499 CG LEU A 30 5.742 10.874 -1.498 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.172 11.399 -1.399 1.00 0.00 C ATOM 501 CD2 LEU A 30 5.511 9.857 -0.382 1.00 0.00 C ATOM 0 H LEU A 30 3.571 13.691 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 30 3.381 10.859 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.184 12.890 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.705 12.404 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 30 5.568 10.365 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.870 10.564 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.366 12.084 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.302 11.925 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.224 9.039 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.647 10.341 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.496 9.465 -0.452 1.00 0.00 H new ATOM 513 N ALA A 31 1.694 12.416 -0.227 1.00 0.00 N ATOM 514 CA ALA A 31 0.590 12.237 0.721 1.00 0.00 C ATOM 515 C ALA A 31 -0.725 11.754 0.061 1.00 0.00 C ATOM 516 O ALA A 31 -1.578 11.180 0.737 1.00 0.00 O ATOM 517 CB ALA A 31 0.381 13.559 1.471 1.00 0.00 C ATOM 0 H ALA A 31 1.922 13.395 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 31 0.865 11.441 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.437 13.448 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.294 13.822 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.138 14.347 0.758 1.00 0.00 H new ATOM 523 N LYS A 32 -0.896 11.951 -1.257 1.00 0.00 N ATOM 524 CA LYS A 32 -2.029 11.428 -2.048 1.00 0.00 C ATOM 525 C LYS A 32 -1.811 9.980 -2.495 1.00 0.00 C ATOM 526 O LYS A 32 -2.769 9.206 -2.488 1.00 0.00 O ATOM 527 CB LYS A 32 -2.312 12.335 -3.264 1.00 0.00 C ATOM 528 CG LYS A 32 -2.549 13.832 -2.975 1.00 0.00 C ATOM 529 CD LYS A 32 -3.899 14.160 -2.314 1.00 0.00 C ATOM 530 CE LYS A 32 -3.928 13.876 -0.807 1.00 0.00 C ATOM 531 NZ LYS A 32 -5.283 14.070 -0.238 1.00 0.00 N ATOM 0 H LYS A 32 -0.236 12.491 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.901 11.433 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.472 12.251 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.189 11.946 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.748 14.193 -2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.477 14.384 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.131 15.212 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.683 13.579 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.599 12.853 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.223 14.534 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.451 13.363 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.356 15.025 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.994 13.958 -0.989 1.00 0.00 H new ATOM 545 N ILE A 33 -0.566 9.586 -2.785 1.00 0.00 N ATOM 546 CA ILE A 33 -0.194 8.183 -3.066 1.00 0.00 C ATOM 547 C ILE A 33 -0.709 7.242 -1.965 1.00 0.00 C ATOM 548 O ILE A 33 -1.443 6.295 -2.251 1.00 0.00 O ATOM 549 CB ILE A 33 1.338 8.014 -3.227 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.968 8.815 -4.389 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.699 6.529 -3.386 1.00 0.00 C ATOM 552 CD1 ILE A 33 1.645 8.306 -5.795 1.00 0.00 C ATOM 0 H ILE A 33 0.222 10.232 -2.833 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.667 7.915 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 33 1.760 8.427 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.639 9.851 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.051 8.815 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.778 6.427 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.372 5.979 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.203 6.127 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.137 8.940 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.001 7.281 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.567 8.334 -5.953 1.00 0.00 H new ATOM 564 N LEU A 34 -0.362 7.505 -0.701 1.00 0.00 N ATOM 565 CA LEU A 34 -0.717 6.619 0.414 1.00 0.00 C ATOM 566 C LEU A 34 -2.235 6.545 0.690 1.00 0.00 C ATOM 567 O LEU A 34 -2.724 5.513 1.143 1.00 0.00 O ATOM 568 CB LEU A 34 0.156 6.960 1.642 1.00 0.00 C ATOM 569 CG LEU A 34 -0.104 8.322 2.313 1.00 0.00 C ATOM 570 CD1 LEU A 34 -1.188 8.249 3.392 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.174 8.833 2.983 1.00 0.00 C ATOM 0 H LEU A 34 0.168 8.331 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.485 5.592 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.014 6.179 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.202 6.924 1.338 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.436 8.993 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.331 9.236 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.124 7.912 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.883 7.547 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.978 9.796 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.499 8.119 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.957 8.948 2.233 1.00 0.00 H new ATOM 583 N GLU A 35 -3.010 7.587 0.364 1.00 0.00 N ATOM 584 CA GLU A 35 -4.463 7.601 0.474 1.00 0.00 C ATOM 585 C GLU A 35 -5.181 6.827 -0.647 1.00 0.00 C ATOM 586 O GLU A 35 -6.300 6.351 -0.448 1.00 0.00 O ATOM 587 CB GLU A 35 -4.890 9.073 0.480 1.00 0.00 C ATOM 588 CG GLU A 35 -4.742 9.689 1.875 1.00 0.00 C ATOM 589 CD GLU A 35 -5.633 10.933 2.053 1.00 0.00 C ATOM 590 OE1 GLU A 35 -5.225 12.053 1.655 1.00 0.00 O ATOM 591 OE2 GLU A 35 -6.758 10.804 2.595 1.00 0.00 O ATOM 0 H GLU A 35 -2.628 8.463 0.008 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.752 7.087 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.285 9.633 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.926 9.155 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.002 8.946 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.700 9.962 2.042 1.00 0.00 H new ATOM 598 N ASP A 36 -4.544 6.654 -1.806 1.00 0.00 N ATOM 599 CA ASP A 36 -4.975 5.728 -2.848 1.00 0.00 C ATOM 600 C ASP A 36 -4.616 4.274 -2.492 1.00 0.00 C ATOM 601 O ASP A 36 -5.454 3.380 -2.627 1.00 0.00 O ATOM 602 CB ASP A 36 -4.284 6.117 -4.159 1.00 0.00 C ATOM 603 CG ASP A 36 -4.858 7.354 -4.868 1.00 0.00 C ATOM 604 OD1 ASP A 36 -6.043 7.716 -4.661 1.00 0.00 O ATOM 605 OD2 ASP A 36 -4.115 7.923 -5.701 1.00 0.00 O ATOM 0 H ASP A 36 -3.696 7.166 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.059 5.790 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.228 6.295 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.338 5.270 -4.843 1.00 0.00 H new ATOM 610 N GLU A 37 -3.397 4.023 -1.988 1.00 0.00 N ATOM 611 CA GLU A 37 -2.993 2.684 -1.525 1.00 0.00 C ATOM 612 C GLU A 37 -3.835 2.179 -0.332 1.00 0.00 C ATOM 613 O GLU A 37 -3.917 0.974 -0.111 1.00 0.00 O ATOM 614 CB GLU A 37 -1.497 2.623 -1.155 1.00 0.00 C ATOM 615 CG GLU A 37 -0.475 2.956 -2.258 1.00 0.00 C ATOM 616 CD GLU A 37 -0.488 2.056 -3.501 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.250 1.062 -3.611 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.258 2.346 -4.470 1.00 0.00 O ATOM 0 H GLU A 37 -2.671 4.733 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.176 2.025 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.329 3.307 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.282 1.619 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.644 3.984 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.523 2.919 -1.821 1.00 0.00 H new ATOM 625 N GLU A 38 -4.510 3.060 0.415 1.00 0.00 N ATOM 626 CA GLU A 38 -5.460 2.681 1.475 1.00 0.00 C ATOM 627 C GLU A 38 -6.574 1.762 0.947 1.00 0.00 C ATOM 628 O GLU A 38 -6.792 0.662 1.466 1.00 0.00 O ATOM 629 CB GLU A 38 -6.069 3.959 2.072 1.00 0.00 C ATOM 630 CG GLU A 38 -6.871 3.692 3.351 1.00 0.00 C ATOM 631 CD GLU A 38 -7.469 4.998 3.904 1.00 0.00 C ATOM 632 OE1 GLU A 38 -8.479 5.492 3.345 1.00 0.00 O ATOM 633 OE2 GLU A 38 -6.941 5.536 4.908 1.00 0.00 O ATOM 0 H GLU A 38 -4.413 4.069 0.302 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.920 2.123 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.271 4.669 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.718 4.427 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.670 2.981 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.226 3.236 4.102 1.00 0.00 H new ATOM 640 N LYS A 39 -7.239 2.187 -0.138 1.00 0.00 N ATOM 641 CA LYS A 39 -8.283 1.400 -0.819 1.00 0.00 C ATOM 642 C LYS A 39 -7.728 0.068 -1.325 1.00 0.00 C ATOM 643 O LYS A 39 -8.384 -0.962 -1.208 1.00 0.00 O ATOM 644 CB LYS A 39 -8.905 2.171 -1.998 1.00 0.00 C ATOM 645 CG LYS A 39 -9.876 3.298 -1.619 1.00 0.00 C ATOM 646 CD LYS A 39 -9.179 4.554 -1.081 1.00 0.00 C ATOM 647 CE LYS A 39 -10.175 5.709 -0.957 1.00 0.00 C ATOM 648 NZ LYS A 39 -9.519 6.919 -0.400 1.00 0.00 N ATOM 0 H LYS A 39 -7.067 3.094 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 39 -9.061 1.209 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.099 2.597 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.433 1.461 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.467 3.567 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.572 2.928 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.736 4.342 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.365 4.838 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.596 5.937 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.004 5.412 -0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.845 7.073 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.487 6.787 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.765 7.746 -0.981 1.00 0.00 H new ATOM 662 N HIS A 40 -6.493 0.072 -1.827 1.00 0.00 N ATOM 663 CA HIS A 40 -5.800 -1.101 -2.358 1.00 0.00 C ATOM 664 C HIS A 40 -5.428 -2.172 -1.317 1.00 0.00 C ATOM 665 O HIS A 40 -5.002 -3.251 -1.717 1.00 0.00 O ATOM 666 CB HIS A 40 -4.510 -0.648 -3.035 1.00 0.00 C ATOM 667 CG HIS A 40 -4.603 0.173 -4.294 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.501 0.441 -5.118 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.714 0.770 -4.818 1.00 0.00 C ATOM 670 CE1 HIS A 40 -3.989 1.214 -6.114 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.309 1.422 -5.960 1.00 0.00 N ATOM 0 H HIS A 40 -5.929 0.920 -1.877 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.507 -1.566 -3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.939 -0.072 -2.307 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.927 -1.540 -3.264 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.540 0.122 -4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.715 0.737 -4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.398 1.612 -6.925 1.00 0.00 H new ATOM 679 N ILE A 41 -5.583 -1.900 -0.019 1.00 0.00 N ATOM 680 CA ILE A 41 -5.413 -2.853 1.095 1.00 0.00 C ATOM 681 C ILE A 41 -6.783 -3.165 1.726 1.00 0.00 C ATOM 682 O ILE A 41 -7.055 -4.314 2.070 1.00 0.00 O ATOM 683 CB ILE A 41 -4.470 -2.265 2.179 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.046 -1.936 1.681 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.375 -3.189 3.409 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.246 -3.119 1.132 1.00 0.00 C ATOM 0 H ILE A 41 -5.842 -0.968 0.305 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.971 -3.768 0.702 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.936 -1.319 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.120 -1.178 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.486 -1.493 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.706 -2.745 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.365 -3.315 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.986 -4.161 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.263 -2.776 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.131 -3.873 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.774 -3.552 0.283 1.00 0.00 H new ATOM 698 N GLU A 42 -7.679 -2.174 1.825 1.00 0.00 N ATOM 699 CA GLU A 42 -9.071 -2.371 2.257 1.00 0.00 C ATOM 700 C GLU A 42 -9.794 -3.386 1.350 1.00 0.00 C ATOM 701 O GLU A 42 -10.346 -4.381 1.827 1.00 0.00 O ATOM 702 CB GLU A 42 -9.786 -1.007 2.251 1.00 0.00 C ATOM 703 CG GLU A 42 -11.194 -1.021 2.861 1.00 0.00 C ATOM 704 CD GLU A 42 -11.154 -1.102 4.400 1.00 0.00 C ATOM 705 OE1 GLU A 42 -11.109 -2.226 4.956 1.00 0.00 O ATOM 706 OE2 GLU A 42 -11.174 -0.039 5.069 1.00 0.00 O ATOM 0 H GLU A 42 -7.457 -1.203 1.605 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.086 -2.782 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.175 -0.289 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.853 -0.651 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.729 -0.121 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.752 -1.871 2.467 1.00 0.00 H new ATOM 713 N TRP A 43 -9.721 -3.186 0.029 1.00 0.00 N ATOM 714 CA TRP A 43 -10.210 -4.139 -0.968 1.00 0.00 C ATOM 715 C TRP A 43 -9.415 -5.456 -0.961 1.00 0.00 C ATOM 716 O TRP A 43 -10.000 -6.511 -1.177 1.00 0.00 O ATOM 717 CB TRP A 43 -10.198 -3.489 -2.362 1.00 0.00 C ATOM 718 CG TRP A 43 -11.098 -2.296 -2.562 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.297 -2.094 -1.963 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.909 -1.142 -3.447 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.852 -0.910 -2.407 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.055 -0.295 -3.346 1.00 0.00 C ATOM 723 CE3 TRP A 43 -9.891 -0.719 -4.330 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.196 0.882 -4.096 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.024 0.452 -5.102 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.175 1.253 -4.986 1.00 0.00 C ATOM 0 H TRP A 43 -9.314 -2.345 -0.381 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.235 -4.399 -0.705 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.176 -3.185 -2.587 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.473 -4.249 -3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.751 -2.760 -1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.743 -0.537 -2.079 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.989 -1.307 -4.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.079 1.495 -3.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.238 0.736 -5.786 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.273 2.150 -5.579 1.00 0.00 H new ATOM 737 N LEU A 44 -8.111 -5.428 -0.659 1.00 0.00 N ATOM 738 CA LEU A 44 -7.260 -6.627 -0.558 1.00 0.00 C ATOM 739 C LEU A 44 -7.770 -7.615 0.496 1.00 0.00 C ATOM 740 O LEU A 44 -8.073 -8.766 0.191 1.00 0.00 O ATOM 741 CB LEU A 44 -5.838 -6.168 -0.205 1.00 0.00 C ATOM 742 CG LEU A 44 -4.699 -6.971 -0.815 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.381 -6.316 -0.459 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.688 -8.450 -0.430 1.00 0.00 C ATOM 0 H LEU A 44 -7.607 -4.560 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.278 -7.153 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.728 -5.129 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.730 -6.191 0.879 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.856 -6.962 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.561 -6.888 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.362 -5.299 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.269 -6.289 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.843 -8.944 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.597 -8.544 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.616 -8.918 -0.758 1.00 0.00 H new ATOM 756 N GLU A 45 -7.916 -7.138 1.732 1.00 0.00 N ATOM 757 CA GLU A 45 -8.470 -7.907 2.853 1.00 0.00 C ATOM 758 C GLU A 45 -9.898 -8.379 2.550 1.00 0.00 C ATOM 759 O GLU A 45 -10.239 -9.545 2.762 1.00 0.00 O ATOM 760 CB GLU A 45 -8.439 -7.043 4.124 1.00 0.00 C ATOM 761 CG GLU A 45 -8.696 -7.881 5.384 1.00 0.00 C ATOM 762 CD GLU A 45 -8.563 -7.031 6.663 1.00 0.00 C ATOM 763 OE1 GLU A 45 -7.443 -6.943 7.224 1.00 0.00 O ATOM 764 OE2 GLU A 45 -9.582 -6.468 7.135 1.00 0.00 O ATOM 0 H GLU A 45 -7.648 -6.188 1.990 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.860 -8.797 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.470 -6.550 4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.191 -6.258 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.695 -8.315 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.989 -8.710 5.421 1.00 0.00 H new ATOM 771 N THR A 46 -10.704 -7.491 1.958 1.00 0.00 N ATOM 772 CA THR A 46 -12.055 -7.799 1.459 1.00 0.00 C ATOM 773 C THR A 46 -12.069 -8.910 0.395 1.00 0.00 C ATOM 774 O THR A 46 -13.087 -9.594 0.266 1.00 0.00 O ATOM 775 CB THR A 46 -12.764 -6.534 0.939 1.00 0.00 C ATOM 776 OG1 THR A 46 -12.823 -5.551 1.953 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.214 -6.745 0.497 1.00 0.00 C ATOM 0 H THR A 46 -10.434 -6.519 1.808 1.00 0.00 H new ATOM 0 HA THR A 46 -12.611 -8.181 2.315 1.00 0.00 H new ATOM 0 HB THR A 46 -12.168 -6.237 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.971 -5.069 1.991 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.629 -5.800 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.245 -7.476 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.802 -7.110 1.339 1.00 0.00 H new ATOM 785 N ILE A 47 -10.966 -9.162 -0.333 1.00 0.00 N ATOM 786 CA ILE A 47 -10.922 -10.160 -1.410 1.00 0.00 C ATOM 787 C ILE A 47 -10.208 -11.455 -0.983 1.00 0.00 C ATOM 788 O ILE A 47 -10.419 -12.528 -1.552 1.00 0.00 O ATOM 789 CB ILE A 47 -10.383 -9.463 -2.683 1.00 0.00 C ATOM 790 CG1 ILE A 47 -11.423 -8.448 -3.221 1.00 0.00 C ATOM 791 CG2 ILE A 47 -10.048 -10.451 -3.799 1.00 0.00 C ATOM 792 CD1 ILE A 47 -10.870 -7.481 -4.277 1.00 0.00 C ATOM 0 H ILE A 47 -10.080 -8.677 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.920 -10.528 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.464 -8.955 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.261 -8.997 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.816 -7.869 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.675 -9.907 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.285 -11.147 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.945 -11.005 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.661 -6.805 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.052 -6.903 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.504 -8.048 -5.133 1.00 0.00 H new ATOM 804 N ASN A 48 -9.447 -11.369 0.102 1.00 0.00 N ATOM 805 CA ASN A 48 -8.793 -12.486 0.793 1.00 0.00 C ATOM 806 C ASN A 48 -9.782 -13.387 1.564 1.00 0.00 C ATOM 807 O ASN A 48 -9.596 -14.604 1.656 1.00 0.00 O ATOM 808 CB ASN A 48 -7.698 -11.892 1.703 1.00 0.00 C ATOM 809 CG ASN A 48 -6.789 -12.919 2.365 1.00 0.00 C ATOM 810 OD1 ASN A 48 -6.583 -14.029 1.899 1.00 0.00 O ATOM 811 ND2 ASN A 48 -6.187 -12.571 3.481 1.00 0.00 N ATOM 0 H ASN A 48 -9.256 -10.473 0.551 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.346 -13.155 0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.084 -11.212 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.176 -11.296 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.557 -13.225 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.350 -11.647 3.882 1.00 0.00 H new ATOM 858 N TYR B 3 14.862 3.809 -2.298 1.00 0.00 N ATOM 859 CA TYR B 3 14.298 5.102 -2.673 1.00 0.00 C ATOM 860 C TYR B 3 13.344 4.946 -3.873 1.00 0.00 C ATOM 861 O TYR B 3 12.803 3.870 -4.127 1.00 0.00 O ATOM 862 CB TYR B 3 15.495 6.045 -2.940 1.00 0.00 C ATOM 863 CG TYR B 3 15.325 7.472 -2.459 1.00 0.00 C ATOM 864 CD1 TYR B 3 15.131 7.718 -1.086 1.00 0.00 C ATOM 865 CD2 TYR B 3 15.468 8.551 -3.354 1.00 0.00 C ATOM 866 CE1 TYR B 3 15.082 9.039 -0.601 1.00 0.00 C ATOM 867 CE2 TYR B 3 15.415 9.875 -2.873 1.00 0.00 C ATOM 868 CZ TYR B 3 15.235 10.121 -1.495 1.00 0.00 C ATOM 869 OH TYR B 3 15.244 11.398 -1.027 1.00 0.00 O ATOM 0 HA TYR B 3 13.682 5.532 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR B 3 16.380 5.623 -2.464 1.00 0.00 H new ATOM 0 HB3 TYR B 3 15.688 6.063 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR B 3 15.019 6.890 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR B 3 15.618 8.364 -4.407 1.00 0.00 H new ATOM 0 HE1 TYR B 3 14.928 9.224 0.452 1.00 0.00 H new ATOM 0 HE2 TYR B 3 15.512 10.703 -3.560 1.00 0.00 H new ATOM 0 HH TYR B 3 15.360 12.020 -1.776 1.00 0.00 H new ATOM 879 N LEU B 4 13.135 6.016 -4.636 1.00 0.00 N ATOM 880 CA LEU B 4 12.232 6.091 -5.787 1.00 0.00 C ATOM 881 C LEU B 4 12.450 4.996 -6.857 1.00 0.00 C ATOM 882 O LEU B 4 11.480 4.550 -7.466 1.00 0.00 O ATOM 883 CB LEU B 4 12.273 7.533 -6.315 1.00 0.00 C ATOM 884 CG LEU B 4 13.543 7.896 -7.097 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.387 7.695 -8.607 1.00 0.00 C ATOM 886 CD2 LEU B 4 13.925 9.357 -6.863 1.00 0.00 C ATOM 0 H LEU B 4 13.614 6.900 -4.462 1.00 0.00 H new ATOM 0 HA LEU B 4 11.217 5.859 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.408 7.694 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.174 8.217 -5.472 1.00 0.00 H new ATOM 0 HG LEU B 4 14.318 7.225 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.316 7.967 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU B 4 13.157 6.650 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU B 4 12.577 8.325 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU B 4 14.828 9.592 -7.427 1.00 0.00 H new ATOM 0 HD22 LEU B 4 13.112 10.003 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU B 4 14.108 9.520 -5.801 1.00 0.00 H new ATOM 898 N ARG B 5 13.675 4.487 -7.061 1.00 0.00 N ATOM 899 CA ARG B 5 13.896 3.334 -7.961 1.00 0.00 C ATOM 900 C ARG B 5 13.365 2.023 -7.385 1.00 0.00 C ATOM 901 O ARG B 5 12.777 1.248 -8.132 1.00 0.00 O ATOM 902 CB ARG B 5 15.371 3.191 -8.377 1.00 0.00 C ATOM 903 CG ARG B 5 15.806 4.234 -9.426 1.00 0.00 C ATOM 904 CD ARG B 5 16.513 5.465 -8.845 1.00 0.00 C ATOM 905 NE ARG B 5 17.879 5.131 -8.384 1.00 0.00 N ATOM 906 CZ ARG B 5 18.981 5.842 -8.551 1.00 0.00 C ATOM 907 NH1 ARG B 5 18.981 7.016 -9.118 1.00 0.00 N ATOM 908 NH2 ARG B 5 20.129 5.376 -8.147 1.00 0.00 N ATOM 0 H ARG B 5 14.522 4.848 -6.622 1.00 0.00 H new ATOM 0 HA ARG B 5 13.317 3.550 -8.859 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.003 3.287 -7.494 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.534 2.191 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG B 5 16.471 3.753 -10.143 1.00 0.00 H new ATOM 0 HG3 ARG B 5 14.926 4.563 -9.979 1.00 0.00 H new ATOM 0 HD2 ARG B 5 16.563 6.249 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG B 5 15.932 5.862 -8.012 1.00 0.00 H new ATOM 0 HE ARG B 5 17.982 4.251 -7.879 1.00 0.00 H new ATOM 0 HH11 ARG B 5 18.107 7.420 -9.453 1.00 0.00 H new ATOM 0 HH12 ARG B 5 19.855 7.530 -9.226 1.00 0.00 H new ATOM 0 HH21 ARG B 5 20.179 4.460 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG B 5 20.977 5.927 -8.277 1.00 0.00 H new ATOM 922 N GLU B 6 13.484 1.776 -6.077 1.00 0.00 N ATOM 923 CA GLU B 6 12.805 0.669 -5.420 1.00 0.00 C ATOM 924 C GLU B 6 11.280 0.833 -5.459 1.00 0.00 C ATOM 925 O GLU B 6 10.581 -0.153 -5.666 1.00 0.00 O ATOM 926 CB GLU B 6 13.293 0.554 -3.969 1.00 0.00 C ATOM 927 CG GLU B 6 14.330 -0.563 -3.782 1.00 0.00 C ATOM 928 CD GLU B 6 14.167 -1.312 -2.441 1.00 0.00 C ATOM 929 OE1 GLU B 6 13.946 -0.665 -1.390 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.258 -2.565 -2.438 1.00 0.00 O ATOM 0 H GLU B 6 14.055 2.341 -5.449 1.00 0.00 H new ATOM 0 HA GLU B 6 13.047 -0.246 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.728 1.504 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.440 0.366 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.243 -1.274 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.331 -0.136 -3.835 1.00 0.00 H new ATOM 937 N LEU B 7 10.759 2.059 -5.328 1.00 0.00 N ATOM 938 CA LEU B 7 9.327 2.339 -5.487 1.00 0.00 C ATOM 939 C LEU B 7 8.828 1.956 -6.885 1.00 0.00 C ATOM 940 O LEU B 7 7.914 1.144 -6.998 1.00 0.00 O ATOM 941 CB LEU B 7 9.029 3.813 -5.169 1.00 0.00 C ATOM 942 CG LEU B 7 9.247 4.248 -3.711 1.00 0.00 C ATOM 943 CD1 LEU B 7 9.118 5.767 -3.540 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.209 3.581 -2.826 1.00 0.00 C ATOM 0 H LEU B 7 11.318 2.884 -5.109 1.00 0.00 H new ATOM 0 HA LEU B 7 8.782 1.720 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.654 4.435 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.993 4.019 -5.437 1.00 0.00 H new ATOM 0 HG LEU B 7 10.257 3.951 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.279 6.030 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.862 6.267 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.120 6.084 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.362 3.888 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.211 3.877 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.308 2.498 -2.902 1.00 0.00 H new ATOM 956 N TYR B 8 9.464 2.447 -7.951 1.00 0.00 N ATOM 957 CA TYR B 8 9.242 1.984 -9.328 1.00 0.00 C ATOM 958 C TYR B 8 9.283 0.456 -9.458 1.00 0.00 C ATOM 959 O TYR B 8 8.337 -0.160 -9.952 1.00 0.00 O ATOM 960 CB TYR B 8 10.301 2.655 -10.221 1.00 0.00 C ATOM 961 CG TYR B 8 9.861 3.074 -11.616 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.272 2.148 -12.500 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.077 4.402 -12.040 1.00 0.00 C ATOM 964 CE1 TYR B 8 8.897 2.550 -13.798 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.699 4.808 -13.334 1.00 0.00 C ATOM 966 CZ TYR B 8 9.112 3.881 -14.220 1.00 0.00 C ATOM 967 OH TYR B 8 8.765 4.274 -15.477 1.00 0.00 O ATOM 0 H TYR B 8 10.160 3.190 -7.883 1.00 0.00 H new ATOM 0 HA TYR B 8 8.238 2.268 -9.643 1.00 0.00 H new ATOM 0 HB2 TYR B 8 10.671 3.539 -9.702 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.143 1.970 -10.322 1.00 0.00 H new ATOM 0 HD1 TYR B 8 9.108 1.129 -12.183 1.00 0.00 H new ATOM 0 HD2 TYR B 8 10.535 5.112 -11.368 1.00 0.00 H new ATOM 0 HE1 TYR B 8 8.444 1.838 -14.472 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.859 5.829 -13.648 1.00 0.00 H new ATOM 0 HH TYR B 8 8.983 5.222 -15.595 1.00 0.00 H new ATOM 977 N LYS B 9 10.346 -0.158 -8.933 1.00 0.00 N ATOM 978 CA LYS B 9 10.573 -1.617 -8.916 1.00 0.00 C ATOM 979 C LYS B 9 9.697 -2.400 -7.918 1.00 0.00 C ATOM 980 O LYS B 9 9.869 -3.610 -7.779 1.00 0.00 O ATOM 981 CB LYS B 9 12.078 -1.899 -8.731 1.00 0.00 C ATOM 982 CG LYS B 9 12.906 -1.406 -9.933 1.00 0.00 C ATOM 983 CD LYS B 9 14.419 -1.340 -9.672 1.00 0.00 C ATOM 984 CE LYS B 9 15.135 -2.702 -9.676 1.00 0.00 C ATOM 985 NZ LYS B 9 15.027 -3.426 -8.381 1.00 0.00 N ATOM 0 H LYS B 9 11.104 0.361 -8.490 1.00 0.00 H new ATOM 0 HA LYS B 9 10.248 -1.998 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.430 -1.410 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.233 -2.970 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.724 -2.066 -10.781 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.555 -0.415 -10.220 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.876 -0.703 -10.429 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.586 -0.860 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.716 -3.323 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS B 9 16.188 -2.551 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.828 -4.082 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.042 -2.741 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.136 -3.961 -8.356 1.00 0.00 H new ATOM 999 N LEU B 10 8.719 -1.747 -7.288 1.00 0.00 N ATOM 1000 CA LEU B 10 7.615 -2.368 -6.543 1.00 0.00 C ATOM 1001 C LEU B 10 6.263 -2.068 -7.208 1.00 0.00 C ATOM 1002 O LEU B 10 5.433 -2.966 -7.320 1.00 0.00 O ATOM 1003 CB LEU B 10 7.623 -1.864 -5.085 1.00 0.00 C ATOM 1004 CG LEU B 10 8.763 -2.421 -4.210 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.851 -1.618 -2.909 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.542 -3.887 -3.843 1.00 0.00 C ATOM 0 H LEU B 10 8.670 -0.728 -7.281 1.00 0.00 H new ATOM 0 HA LEU B 10 7.756 -3.449 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.689 -0.776 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.671 -2.122 -4.622 1.00 0.00 H new ATOM 0 HG LEU B 10 9.682 -2.339 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.658 -2.013 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU B 10 9.050 -0.572 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.908 -1.697 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU B 10 9.370 -4.236 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.609 -3.987 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.489 -4.486 -4.752 1.00 0.00 H new ATOM 1018 N GLU B 11 6.042 -0.847 -7.706 1.00 0.00 N ATOM 1019 CA GLU B 11 4.774 -0.428 -8.317 1.00 0.00 C ATOM 1020 C GLU B 11 4.557 -1.101 -9.688 1.00 0.00 C ATOM 1021 O GLU B 11 3.478 -1.637 -9.951 1.00 0.00 O ATOM 1022 CB GLU B 11 4.754 1.110 -8.439 1.00 0.00 C ATOM 1023 CG GLU B 11 4.752 1.855 -7.087 1.00 0.00 C ATOM 1024 CD GLU B 11 3.362 2.354 -6.680 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.787 3.356 -7.137 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.603 1.849 -5.834 1.00 0.00 O ATOM 0 H GLU B 11 6.748 -0.111 -7.696 1.00 0.00 H new ATOM 0 HA GLU B 11 3.951 -0.747 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.623 1.428 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU B 11 3.871 1.406 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.135 1.191 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.434 2.703 -7.145 1.00 0.00 H new ATOM 1033 N GLN B 12 5.582 -1.149 -10.551 1.00 0.00 N ATOM 1034 CA GLN B 12 5.527 -1.866 -11.827 1.00 0.00 C ATOM 1035 C GLN B 12 5.624 -3.393 -11.667 1.00 0.00 C ATOM 1036 O GLN B 12 5.026 -4.128 -12.452 1.00 0.00 O ATOM 1037 CB GLN B 12 6.629 -1.322 -12.750 1.00 0.00 C ATOM 1038 CG GLN B 12 6.035 -0.521 -13.911 1.00 0.00 C ATOM 1039 CD GLN B 12 5.392 -1.396 -14.989 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.012 -2.274 -15.574 1.00 0.00 O ATOM 1041 NE2 GLN B 12 4.131 -1.190 -15.306 1.00 0.00 N ATOM 0 H GLN B 12 6.476 -0.688 -10.380 1.00 0.00 H new ATOM 0 HA GLN B 12 4.549 -1.688 -12.275 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.307 -0.689 -12.177 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.220 -2.150 -13.141 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.287 0.170 -13.521 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.821 0.083 -14.365 1.00 0.00 H new ATOM 0 HE21 GLN B 12 3.598 -0.463 -14.830 1.00 0.00 H new ATOM 0 HE22 GLN B 12 3.687 -1.758 -16.028 1.00 0.00 H new ATOM 1050 N GLN B 13 6.308 -3.896 -10.630 1.00 0.00 N ATOM 1051 CA GLN B 13 6.274 -5.326 -10.298 1.00 0.00 C ATOM 1052 C GLN B 13 4.884 -5.782 -9.821 1.00 0.00 C ATOM 1053 O GLN B 13 4.394 -6.826 -10.257 1.00 0.00 O ATOM 1054 CB GLN B 13 7.369 -5.693 -9.294 1.00 0.00 C ATOM 1055 CG GLN B 13 8.355 -6.697 -9.912 1.00 0.00 C ATOM 1056 CD GLN B 13 9.254 -7.370 -8.876 1.00 0.00 C ATOM 1057 OE1 GLN B 13 10.279 -6.850 -8.455 1.00 0.00 O ATOM 1058 NE2 GLN B 13 8.925 -8.571 -8.444 1.00 0.00 N ATOM 0 H GLN B 13 6.890 -3.335 -10.008 1.00 0.00 H new ATOM 0 HA GLN B 13 6.479 -5.871 -11.219 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.903 -4.794 -8.985 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.920 -6.121 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN B 13 7.796 -7.462 -10.450 1.00 0.00 H new ATOM 0 HG3 GLN B 13 8.977 -6.182 -10.644 1.00 0.00 H new ATOM 0 HE21 GLN B 13 8.074 -9.020 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN B 13 9.521 -9.051 -7.770 1.00 0.00 H new ATOM 1067 N ALA B 14 4.211 -4.973 -8.995 1.00 0.00 N ATOM 1068 CA ALA B 14 2.814 -5.190 -8.626 1.00 0.00 C ATOM 1069 C ALA B 14 1.889 -5.154 -9.853 1.00 0.00 C ATOM 1070 O ALA B 14 0.994 -5.988 -9.953 1.00 0.00 O ATOM 1071 CB ALA B 14 2.400 -4.157 -7.569 1.00 0.00 C ATOM 0 H ALA B 14 4.625 -4.147 -8.564 1.00 0.00 H new ATOM 0 HA ALA B 14 2.714 -6.188 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.358 -4.317 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.031 -4.266 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.517 -3.153 -7.976 1.00 0.00 H new ATOM 1077 N MET B 15 2.118 -4.253 -10.819 1.00 0.00 N ATOM 1078 CA MET B 15 1.309 -4.142 -12.045 1.00 0.00 C ATOM 1079 C MET B 15 1.188 -5.454 -12.834 1.00 0.00 C ATOM 1080 O MET B 15 0.100 -5.788 -13.310 1.00 0.00 O ATOM 1081 CB MET B 15 1.872 -3.028 -12.938 1.00 0.00 C ATOM 1082 CG MET B 15 0.964 -2.721 -14.137 1.00 0.00 C ATOM 1083 SD MET B 15 0.712 -0.954 -14.433 1.00 0.00 S ATOM 1084 CE MET B 15 -0.318 -0.626 -12.982 1.00 0.00 C ATOM 0 H MET B 15 2.877 -3.573 -10.772 1.00 0.00 H new ATOM 0 HA MET B 15 0.296 -3.895 -11.726 1.00 0.00 H new ATOM 0 HB2 MET B 15 2.004 -2.123 -12.345 1.00 0.00 H new ATOM 0 HB3 MET B 15 2.859 -3.319 -13.299 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.395 -3.171 -15.031 1.00 0.00 H new ATOM 0 HG3 MET B 15 -0.005 -3.194 -13.977 1.00 0.00 H new ATOM 0 HE1 MET B 15 -0.852 0.314 -13.120 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.036 -1.436 -12.855 1.00 0.00 H new ATOM 0 HE3 MET B 15 0.313 -0.558 -12.096 1.00 0.00 H new ATOM 1094 N LYS B 16 2.277 -6.226 -12.931 1.00 0.00 N ATOM 1095 CA LYS B 16 2.276 -7.549 -13.570 1.00 0.00 C ATOM 1096 C LYS B 16 1.315 -8.516 -12.874 1.00 0.00 C ATOM 1097 O LYS B 16 0.500 -9.157 -13.531 1.00 0.00 O ATOM 1098 CB LYS B 16 3.710 -8.095 -13.587 1.00 0.00 C ATOM 1099 CG LYS B 16 3.841 -9.318 -14.509 1.00 0.00 C ATOM 1100 CD LYS B 16 5.296 -9.798 -14.588 1.00 0.00 C ATOM 1101 CE LYS B 16 5.401 -10.998 -15.537 1.00 0.00 C ATOM 1102 NZ LYS B 16 6.800 -11.487 -15.650 1.00 0.00 N ATOM 0 H LYS B 16 3.189 -5.950 -12.567 1.00 0.00 H new ATOM 0 HA LYS B 16 1.918 -7.447 -14.594 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.393 -7.314 -13.920 1.00 0.00 H new ATOM 0 HB3 LYS B 16 4.007 -8.369 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS B 16 3.208 -10.125 -14.140 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.484 -9.065 -15.507 1.00 0.00 H new ATOM 0 HD2 LYS B 16 5.936 -8.989 -14.939 1.00 0.00 H new ATOM 0 HD3 LYS B 16 5.650 -10.077 -13.596 1.00 0.00 H new ATOM 0 HE2 LYS B 16 4.761 -11.804 -15.177 1.00 0.00 H new ATOM 0 HE3 LYS B 16 5.033 -10.716 -16.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 6.833 -12.299 -16.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 7.405 -10.725 -16.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 7.142 -11.780 -14.713 1.00 0.00 H new ATOM 1116 N LEU B 17 1.353 -8.577 -11.543 1.00 0.00 N ATOM 1117 CA LEU B 17 0.487 -9.416 -10.719 1.00 0.00 C ATOM 1118 C LEU B 17 -0.971 -8.946 -10.787 1.00 0.00 C ATOM 1119 O LEU B 17 -1.897 -9.751 -10.898 1.00 0.00 O ATOM 1120 CB LEU B 17 1.010 -9.367 -9.278 1.00 0.00 C ATOM 1121 CG LEU B 17 2.444 -9.895 -9.157 1.00 0.00 C ATOM 1122 CD1 LEU B 17 3.029 -9.539 -7.793 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.567 -11.407 -9.354 1.00 0.00 C ATOM 0 H LEU B 17 2.010 -8.025 -10.992 1.00 0.00 H new ATOM 0 HA LEU B 17 0.506 -10.441 -11.090 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.973 -8.340 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.354 -9.955 -8.636 1.00 0.00 H new ATOM 0 HG LEU B 17 2.998 -9.413 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.047 -9.921 -7.723 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.039 -8.456 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.419 -9.986 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.611 -11.703 -9.253 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.970 -11.922 -8.601 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.208 -11.675 -10.348 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.157 -7.621 -10.811 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.456 -6.950 -10.889 1.00 0.00 C ATOM 1137 C TYR B 18 -3.232 -7.215 -12.193 1.00 0.00 C ATOM 1138 O TYR B 18 -4.426 -6.913 -12.243 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.279 -5.440 -10.647 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.496 -4.991 -9.211 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.730 -5.241 -8.578 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.478 -4.313 -8.509 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.926 -4.872 -7.232 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.670 -3.943 -7.163 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.888 -4.240 -6.517 1.00 0.00 C ATOM 1146 OH TYR B 18 -3.049 -3.936 -5.202 1.00 0.00 O ATOM 0 H TYR B 18 -0.377 -6.964 -10.775 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.073 -7.384 -10.102 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.273 -5.153 -10.954 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.974 -4.900 -11.290 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.529 -5.717 -9.127 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.548 -4.077 -9.005 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.871 -5.073 -6.749 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.885 -3.432 -6.626 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.997 -2.965 -5.082 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.612 -7.825 -13.217 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.292 -8.302 -14.432 1.00 0.00 C ATOM 1158 C ARG B 19 -3.221 -9.824 -14.628 1.00 0.00 C ATOM 1159 O ARG B 19 -3.938 -10.356 -15.471 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.789 -7.472 -15.631 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.406 -7.852 -16.188 1.00 0.00 C ATOM 1162 CD ARG B 19 -1.482 -8.890 -17.321 1.00 0.00 C ATOM 1163 NE ARG B 19 -0.332 -9.814 -17.313 1.00 0.00 N ATOM 1164 CZ ARG B 19 0.630 -9.944 -18.204 1.00 0.00 C ATOM 1165 NH1 ARG B 19 0.769 -9.155 -19.234 1.00 0.00 N ATOM 1166 NH2 ARG B 19 1.475 -10.917 -18.053 1.00 0.00 N ATOM 0 H ARG B 19 -1.608 -8.003 -13.223 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.365 -8.137 -14.330 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.518 -7.557 -16.437 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.763 -6.423 -15.335 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.909 -6.955 -16.557 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.791 -8.248 -15.380 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -2.405 -9.462 -17.225 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.524 -8.375 -18.281 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.274 -10.437 -16.508 1.00 0.00 H new ATOM 0 HH11 ARG B 19 0.112 -8.389 -19.382 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.534 -9.305 -19.891 1.00 0.00 H new ATOM 0 HH21 ARG B 19 1.383 -11.554 -17.262 1.00 0.00 H new ATOM 0 HH22 ARG B 19 2.231 -11.045 -18.726 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.410 -10.541 -13.846 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.188 -11.987 -13.993 1.00 0.00 C ATOM 1182 C GLU B 20 -3.337 -12.828 -13.416 1.00 0.00 C ATOM 1183 O GLU B 20 -3.875 -13.705 -14.096 1.00 0.00 O ATOM 1184 CB GLU B 20 -0.879 -12.352 -13.270 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.112 -13.517 -13.909 1.00 0.00 C ATOM 1186 CD GLU B 20 0.741 -13.075 -15.119 1.00 0.00 C ATOM 1187 OE1 GLU B 20 0.294 -12.220 -15.921 1.00 0.00 O ATOM 1188 OE2 GLU B 20 1.871 -13.592 -15.289 1.00 0.00 O ATOM 0 H GLU B 20 -1.879 -10.129 -13.079 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.133 -12.211 -15.058 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.232 -11.475 -13.248 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.107 -12.606 -12.235 1.00 0.00 H new ATOM 0 HG2 GLU B 20 0.535 -13.975 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -0.820 -14.282 -14.228 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.725 -12.537 -12.169 1.00 0.00 N ATOM 1196 CA ALA B 21 -4.785 -13.258 -11.443 1.00 0.00 C ATOM 1197 C ALA B 21 -6.092 -12.454 -11.318 1.00 0.00 C ATOM 1198 O ALA B 21 -7.171 -13.049 -11.344 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.245 -13.714 -10.083 1.00 0.00 C ATOM 0 H ALA B 21 -3.307 -11.783 -11.625 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.059 -14.136 -12.028 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.026 -14.248 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.391 -14.375 -10.233 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -3.933 -12.844 -9.505 1.00 0.00 H new ATOM 1205 N SER B 22 -6.024 -11.117 -11.306 1.00 0.00 N ATOM 1206 CA SER B 22 -7.202 -10.231 -11.323 1.00 0.00 C ATOM 1207 C SER B 22 -8.134 -10.532 -12.498 1.00 0.00 C ATOM 1208 O SER B 22 -9.346 -10.663 -12.339 1.00 0.00 O ATOM 1209 CB SER B 22 -6.733 -8.783 -11.442 1.00 0.00 C ATOM 1210 OG SER B 22 -7.779 -7.879 -11.144 1.00 0.00 O ATOM 0 H SER B 22 -5.139 -10.610 -11.284 1.00 0.00 H new ATOM 0 HA SER B 22 -7.753 -10.398 -10.398 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.897 -8.612 -10.764 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.367 -8.599 -12.452 1.00 0.00 H new ATOM 0 HG SER B 22 -7.450 -6.960 -11.226 1.00 0.00 H new ATOM 1216 N GLU B 23 -7.540 -10.717 -13.679 1.00 0.00 N ATOM 1217 CA GLU B 23 -8.244 -11.046 -14.927 1.00 0.00 C ATOM 1218 C GLU B 23 -8.996 -12.395 -14.875 1.00 0.00 C ATOM 1219 O GLU B 23 -10.059 -12.529 -15.488 1.00 0.00 O ATOM 1220 CB GLU B 23 -7.227 -11.006 -16.082 1.00 0.00 C ATOM 1221 CG GLU B 23 -7.879 -11.080 -17.468 1.00 0.00 C ATOM 1222 CD GLU B 23 -6.838 -10.864 -18.584 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -6.240 -11.858 -19.065 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -6.628 -9.701 -19.009 1.00 0.00 O ATOM 0 H GLU B 23 -6.530 -10.641 -13.800 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.024 -10.301 -15.085 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -6.644 -10.088 -16.011 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -6.530 -11.836 -15.972 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.358 -12.051 -17.596 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -8.662 -10.325 -17.546 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.492 -13.380 -14.112 1.00 0.00 N ATOM 1232 CA ARG B 24 -9.162 -14.676 -13.878 1.00 0.00 C ATOM 1233 C ARG B 24 -10.236 -14.605 -12.784 1.00 0.00 C ATOM 1234 O ARG B 24 -11.300 -15.205 -12.940 1.00 0.00 O ATOM 1235 CB ARG B 24 -8.126 -15.758 -13.527 1.00 0.00 C ATOM 1236 CG ARG B 24 -7.369 -16.252 -14.770 1.00 0.00 C ATOM 1237 CD ARG B 24 -6.408 -17.391 -14.401 1.00 0.00 C ATOM 1238 NE ARG B 24 -5.884 -18.071 -15.603 1.00 0.00 N ATOM 1239 CZ ARG B 24 -5.145 -19.168 -15.629 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -4.724 -19.749 -14.540 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -4.812 -19.711 -16.764 1.00 0.00 N ATOM 0 H ARG B 24 -7.595 -13.300 -13.633 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.669 -14.937 -14.807 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.415 -15.359 -12.804 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.628 -16.600 -13.049 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -8.079 -16.597 -15.521 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -6.811 -15.428 -15.214 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -5.578 -16.993 -13.817 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.925 -18.114 -13.770 1.00 0.00 H new ATOM 0 HE ARG B 24 -6.115 -17.653 -16.504 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -4.963 -19.358 -13.629 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -4.156 -20.594 -14.600 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -5.121 -19.291 -17.641 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -4.242 -20.557 -16.777 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.980 -13.870 -11.699 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.938 -13.659 -10.592 1.00 0.00 C ATOM 1257 C VAL B 25 -12.134 -12.795 -11.029 1.00 0.00 C ATOM 1258 O VAL B 25 -13.266 -13.048 -10.615 1.00 0.00 O ATOM 1259 CB VAL B 25 -10.212 -13.066 -9.369 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -11.150 -12.675 -8.219 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -9.214 -14.084 -8.795 1.00 0.00 C ATOM 0 H VAL B 25 -9.089 -13.394 -11.555 1.00 0.00 H new ATOM 0 HA VAL B 25 -11.349 -14.627 -10.305 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.721 -12.167 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -10.565 -12.266 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.860 -11.925 -8.568 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -11.692 -13.556 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -8.709 -13.651 -7.932 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -9.748 -14.984 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -8.477 -14.340 -9.556 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.904 -11.808 -11.901 1.00 0.00 N ATOM 1272 CA GLY B 26 -12.935 -10.960 -12.516 1.00 0.00 C ATOM 1273 C GLY B 26 -13.490 -9.841 -11.620 1.00 0.00 C ATOM 1274 O GLY B 26 -14.482 -9.208 -11.984 1.00 0.00 O ATOM 0 H GLY B 26 -10.962 -11.568 -12.210 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.520 -10.508 -13.417 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.763 -11.595 -12.830 1.00 0.00 H new ATOM 1278 N ASP B 27 -12.894 -9.597 -10.447 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.345 -8.570 -9.498 1.00 0.00 C ATOM 1280 C ASP B 27 -13.132 -7.135 -10.049 1.00 0.00 C ATOM 1281 O ASP B 27 -12.008 -6.790 -10.441 1.00 0.00 O ATOM 1282 CB ASP B 27 -12.626 -8.766 -8.158 1.00 0.00 C ATOM 1283 CG ASP B 27 -13.156 -7.781 -7.106 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -12.857 -6.572 -7.224 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.896 -8.216 -6.192 1.00 0.00 O ATOM 0 H ASP B 27 -12.075 -10.113 -10.125 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.419 -8.685 -9.349 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.769 -9.789 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -11.554 -8.621 -8.291 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.174 -6.279 -10.092 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.098 -4.994 -10.782 1.00 0.00 C ATOM 1292 C PRO B 28 -13.323 -3.903 -10.035 1.00 0.00 C ATOM 1293 O PRO B 28 -12.640 -3.115 -10.688 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.552 -4.581 -11.031 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.307 -5.234 -9.875 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.542 -6.539 -9.664 1.00 0.00 C ATOM 0 HA PRO B 28 -13.526 -5.111 -11.702 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.669 -3.497 -11.026 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -15.911 -4.936 -11.997 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.296 -4.610 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.352 -5.414 -10.125 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.572 -6.843 -8.618 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -15.985 -7.349 -10.244 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.366 -3.840 -8.697 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.529 -2.878 -7.952 1.00 0.00 C ATOM 1306 C VAL B 29 -11.055 -3.301 -7.973 1.00 0.00 C ATOM 1307 O VAL B 29 -10.175 -2.444 -8.051 1.00 0.00 O ATOM 1308 CB VAL B 29 -13.066 -2.590 -6.532 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -13.009 -3.773 -5.567 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.334 -1.411 -5.878 1.00 0.00 C ATOM 0 H VAL B 29 -13.959 -4.430 -8.113 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.590 -1.921 -8.470 1.00 0.00 H new ATOM 0 HB VAL B 29 -14.117 -2.356 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -13.407 -3.472 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.604 -4.595 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.975 -4.097 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.739 -1.239 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -11.271 -1.639 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.471 -0.516 -6.485 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.765 -4.605 -8.023 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.395 -5.116 -8.172 1.00 0.00 C ATOM 1322 C LEU B 30 -8.805 -4.738 -9.542 1.00 0.00 C ATOM 1323 O LEU B 30 -7.653 -4.306 -9.623 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.397 -6.640 -7.917 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.243 -7.164 -7.046 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.498 -8.632 -6.693 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -6.869 -7.065 -7.709 1.00 0.00 C ATOM 0 H LEU B 30 -11.472 -5.338 -7.961 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.743 -4.650 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.340 -6.911 -7.442 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.366 -7.152 -8.879 1.00 0.00 H new ATOM 0 HG LEU B 30 -8.222 -6.528 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.681 -9.005 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.436 -8.717 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.559 -9.221 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -6.109 -7.454 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -6.867 -7.648 -8.630 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.650 -6.022 -7.939 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.616 -4.791 -10.603 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.264 -4.223 -11.903 1.00 0.00 C ATOM 1341 C ALA B 31 -9.095 -2.687 -11.857 1.00 0.00 C ATOM 1342 O ALA B 31 -8.106 -2.168 -12.383 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.319 -4.653 -12.929 1.00 0.00 C ATOM 0 H ALA B 31 -10.536 -5.230 -10.582 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.289 -4.609 -12.200 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.069 -4.236 -13.905 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.341 -5.741 -12.994 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.298 -4.288 -12.619 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.010 -1.942 -11.212 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.953 -0.464 -11.152 1.00 0.00 C ATOM 1351 C LYS B 32 -8.772 0.089 -10.343 1.00 0.00 C ATOM 1352 O LYS B 32 -8.355 1.217 -10.592 1.00 0.00 O ATOM 1353 CB LYS B 32 -11.313 0.147 -10.735 1.00 0.00 C ATOM 1354 CG LYS B 32 -11.386 0.749 -9.319 1.00 0.00 C ATOM 1355 CD LYS B 32 -12.783 1.316 -9.024 1.00 0.00 C ATOM 1356 CE LYS B 32 -12.764 2.138 -7.728 1.00 0.00 C ATOM 1357 NZ LYS B 32 -14.102 2.715 -7.428 1.00 0.00 N ATOM 0 H LYS B 32 -10.808 -2.342 -10.718 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.754 -0.136 -12.172 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.572 0.926 -11.452 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.075 -0.628 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.139 -0.016 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.642 1.539 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -13.111 1.942 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.502 0.501 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -12.445 1.505 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.032 2.941 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -14.053 3.264 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -14.394 3.338 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -14.795 1.947 -7.320 1.00 0.00 H new ATOM 1371 N ILE B 33 -8.205 -0.670 -9.401 1.00 0.00 N ATOM 1372 CA ILE B 33 -7.048 -0.220 -8.605 1.00 0.00 C ATOM 1373 C ILE B 33 -5.811 0.067 -9.473 1.00 0.00 C ATOM 1374 O ILE B 33 -5.113 1.056 -9.243 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.745 -1.285 -7.526 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.700 -1.034 -6.344 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.284 -1.323 -7.039 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.761 -2.225 -5.393 1.00 0.00 C ATOM 0 H ILE B 33 -8.529 -1.608 -9.166 1.00 0.00 H new ATOM 0 HA ILE B 33 -7.301 0.727 -8.129 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.901 -2.263 -7.982 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.374 -0.150 -5.796 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.699 -0.823 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -5.172 -2.101 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.625 -1.536 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -5.019 -0.358 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.446 -2.003 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.113 -3.104 -5.933 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.767 -2.420 -4.990 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.524 -0.777 -10.471 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.278 -0.691 -11.249 1.00 0.00 C ATOM 1392 C LEU B 34 -4.176 0.591 -12.106 1.00 0.00 C ATOM 1393 O LEU B 34 -3.078 1.045 -12.410 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.063 -2.014 -12.014 1.00 0.00 C ATOM 1395 CG LEU B 34 -4.821 -2.167 -13.348 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -3.990 -1.691 -14.544 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -5.167 -3.636 -13.596 1.00 0.00 C ATOM 0 H LEU B 34 -6.142 -1.534 -10.762 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.437 -0.578 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.997 -2.124 -12.213 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.352 -2.837 -11.361 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.719 -1.555 -13.262 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.566 -1.818 -15.461 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.739 -0.638 -14.417 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.073 -2.278 -14.607 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.702 -3.729 -14.541 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.250 -4.224 -13.639 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.796 -4.004 -12.785 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.307 1.226 -12.425 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.411 2.530 -13.089 1.00 0.00 C ATOM 1411 C GLU B 35 -4.819 3.690 -12.281 1.00 0.00 C ATOM 1412 O GLU B 35 -4.329 4.666 -12.851 1.00 0.00 O ATOM 1413 CB GLU B 35 -6.903 2.806 -13.282 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.390 2.513 -14.693 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.265 3.691 -15.687 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -6.742 4.776 -15.329 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -7.742 3.548 -16.841 1.00 0.00 O ATOM 0 H GLU B 35 -6.222 0.825 -12.217 1.00 0.00 H new ATOM 0 HA GLU B 35 -4.846 2.477 -14.020 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.472 2.201 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.106 3.850 -13.044 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.829 1.665 -15.086 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.435 2.208 -14.644 1.00 0.00 H new ATOM 1424 N ASP B 36 -4.876 3.609 -10.951 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.303 4.613 -10.061 1.00 0.00 C ATOM 1426 C ASP B 36 -2.772 4.498 -10.018 1.00 0.00 C ATOM 1427 O ASP B 36 -2.057 5.502 -10.021 1.00 0.00 O ATOM 1428 CB ASP B 36 -4.867 4.390 -8.657 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.371 4.658 -8.501 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -6.916 5.580 -9.157 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -6.988 3.962 -7.658 1.00 0.00 O ATOM 0 H ASP B 36 -5.326 2.837 -10.459 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.560 5.607 -10.428 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.666 3.360 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.327 5.031 -7.961 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.260 3.262 -10.037 1.00 0.00 N ATOM 1437 CA GLU B 37 -0.825 2.974 -10.095 1.00 0.00 C ATOM 1438 C GLU B 37 -0.173 3.481 -11.397 1.00 0.00 C ATOM 1439 O GLU B 37 1.020 3.769 -11.400 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.563 1.465 -9.918 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.176 0.805 -8.667 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.599 1.281 -7.331 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.202 2.243 -7.250 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -0.962 0.733 -6.262 1.00 0.00 O ATOM 0 H GLU B 37 -2.840 2.423 -10.012 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.362 3.516 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -0.943 0.947 -10.798 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.515 1.306 -9.895 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.250 0.990 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.038 -0.274 -8.740 1.00 0.00 H new ATOM 1451 N GLU B 38 -0.926 3.669 -12.490 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.405 4.324 -13.702 1.00 0.00 C ATOM 1453 C GLU B 38 0.025 5.778 -13.435 1.00 0.00 C ATOM 1454 O GLU B 38 1.132 6.174 -13.814 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.432 4.291 -14.846 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.721 2.872 -15.356 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.625 2.900 -16.605 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -2.158 3.329 -17.690 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -3.801 2.470 -16.524 1.00 0.00 O ATOM 0 H GLU B 38 -1.901 3.376 -12.561 1.00 0.00 H new ATOM 0 HA GLU B 38 0.476 3.756 -14.001 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.362 4.744 -14.504 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -1.066 4.900 -15.673 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.783 2.371 -15.594 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.202 2.291 -14.569 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.801 6.565 -12.724 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.448 7.945 -12.335 1.00 0.00 C ATOM 1468 C LYS B 39 0.751 7.948 -11.400 1.00 0.00 C ATOM 1469 O LYS B 39 1.639 8.779 -11.552 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.601 8.708 -11.653 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.763 9.104 -12.575 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.756 7.941 -12.744 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.925 8.256 -13.681 1.00 0.00 C ATOM 1474 NZ LYS B 39 -5.857 7.100 -13.746 1.00 0.00 N ATOM 0 H LYS B 39 -1.723 6.268 -12.405 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.215 8.459 -13.267 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -1.994 8.092 -10.845 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.197 9.612 -11.197 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.280 9.971 -12.163 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.374 9.399 -13.550 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -3.221 7.072 -13.126 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -4.151 7.668 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -5.455 9.140 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -4.550 8.486 -14.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -6.134 6.932 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -5.386 6.253 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -6.705 7.305 -13.179 1.00 0.00 H new ATOM 1488 N HIS B 40 0.821 6.988 -10.474 1.00 0.00 N ATOM 1489 CA HIS B 40 1.917 6.863 -9.522 1.00 0.00 C ATOM 1490 C HIS B 40 3.287 6.630 -10.170 1.00 0.00 C ATOM 1491 O HIS B 40 4.279 6.976 -9.544 1.00 0.00 O ATOM 1492 CB HIS B 40 1.636 5.701 -8.574 1.00 0.00 C ATOM 1493 CG HIS B 40 0.514 5.846 -7.583 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.339 5.001 -6.476 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.449 6.811 -7.573 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -0.740 5.504 -5.830 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.224 6.582 -6.465 1.00 0.00 N ATOM 0 H HIS B 40 0.106 6.268 -10.367 1.00 0.00 H new ATOM 0 HA HIS B 40 1.966 7.817 -8.998 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.432 4.819 -9.181 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.550 5.499 -8.015 1.00 0.00 H new ATOM 0 HD1 HIS B 40 0.899 4.189 -6.216 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.577 7.602 -8.297 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.156 5.091 -4.923 1.00 0.00 H new ATOM 1505 N ILE B 41 3.347 6.077 -11.386 1.00 0.00 N ATOM 1506 CA ILE B 41 4.556 5.800 -12.181 1.00 0.00 C ATOM 1507 C ILE B 41 4.972 7.058 -12.967 1.00 0.00 C ATOM 1508 O ILE B 41 6.149 7.417 -12.986 1.00 0.00 O ATOM 1509 CB ILE B 41 4.300 4.605 -13.138 1.00 0.00 C ATOM 1510 CG1 ILE B 41 4.151 3.256 -12.392 1.00 0.00 C ATOM 1511 CG2 ILE B 41 5.379 4.478 -14.230 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.441 2.621 -11.854 1.00 0.00 C ATOM 0 H ILE B 41 2.499 5.791 -11.876 1.00 0.00 H new ATOM 0 HA ILE B 41 5.373 5.532 -11.511 1.00 0.00 H new ATOM 0 HB ILE B 41 3.349 4.832 -13.619 1.00 0.00 H new ATOM 0 HG12 ILE B 41 3.469 3.404 -11.555 1.00 0.00 H new ATOM 0 HG13 ILE B 41 3.677 2.544 -13.067 1.00 0.00 H new ATOM 0 HG21 ILE B 41 5.150 3.626 -14.870 1.00 0.00 H new ATOM 0 HG22 ILE B 41 5.399 5.388 -14.830 1.00 0.00 H new ATOM 0 HG23 ILE B 41 6.353 4.330 -13.764 1.00 0.00 H new ATOM 0 HD11 ILE B 41 5.203 1.682 -11.353 1.00 0.00 H new ATOM 0 HD12 ILE B 41 6.124 2.428 -12.681 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.913 3.301 -11.145 1.00 0.00 H new ATOM 1524 N GLU B 42 4.013 7.781 -13.562 1.00 0.00 N ATOM 1525 CA GLU B 42 4.263 9.100 -14.169 1.00 0.00 C ATOM 1526 C GLU B 42 4.750 10.113 -13.118 1.00 0.00 C ATOM 1527 O GLU B 42 5.747 10.815 -13.315 1.00 0.00 O ATOM 1528 CB GLU B 42 2.986 9.631 -14.844 1.00 0.00 C ATOM 1529 CG GLU B 42 2.545 8.788 -16.045 1.00 0.00 C ATOM 1530 CD GLU B 42 1.332 9.431 -16.746 1.00 0.00 C ATOM 1531 OE1 GLU B 42 0.176 9.197 -16.318 1.00 0.00 O ATOM 1532 OE2 GLU B 42 1.527 10.176 -17.739 1.00 0.00 O ATOM 0 H GLU B 42 3.044 7.471 -13.637 1.00 0.00 H new ATOM 0 HA GLU B 42 5.044 8.976 -14.919 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.180 9.658 -14.111 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.155 10.657 -15.171 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.370 8.692 -16.751 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.289 7.781 -15.715 1.00 0.00 H new ATOM 1539 N TRP B 43 4.087 10.144 -11.961 1.00 0.00 N ATOM 1540 CA TRP B 43 4.483 10.935 -10.800 1.00 0.00 C ATOM 1541 C TRP B 43 5.787 10.449 -10.157 1.00 0.00 C ATOM 1542 O TRP B 43 6.529 11.272 -9.623 1.00 0.00 O ATOM 1543 CB TRP B 43 3.328 10.972 -9.793 1.00 0.00 C ATOM 1544 CG TRP B 43 2.077 11.675 -10.259 1.00 0.00 C ATOM 1545 CD1 TRP B 43 2.007 12.617 -11.231 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.698 11.502 -9.792 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.701 13.025 -11.403 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.150 12.384 -10.529 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.075 10.692 -8.819 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.532 12.467 -10.302 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.311 10.769 -8.575 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.115 11.656 -9.313 1.00 0.00 C ATOM 0 H TRP B 43 3.236 9.604 -11.804 1.00 0.00 H new ATOM 0 HA TRP B 43 4.694 11.948 -11.141 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.069 9.947 -9.527 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.679 11.459 -8.883 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.851 12.993 -11.790 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.402 13.716 -12.092 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.674 9.997 -8.248 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.141 13.146 -10.880 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.758 10.143 -7.817 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.176 11.714 -9.121 1.00 0.00 H new ATOM 1563 N LEU B 44 6.127 9.158 -10.262 1.00 0.00 N ATOM 1564 CA LEU B 44 7.421 8.613 -9.836 1.00 0.00 C ATOM 1565 C LEU B 44 8.593 9.256 -10.582 1.00 0.00 C ATOM 1566 O LEU B 44 9.552 9.732 -9.979 1.00 0.00 O ATOM 1567 CB LEU B 44 7.400 7.107 -10.132 1.00 0.00 C ATOM 1568 CG LEU B 44 7.735 6.223 -8.943 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.343 4.786 -9.234 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.192 6.346 -8.523 1.00 0.00 C ATOM 0 H LEU B 44 5.501 8.453 -10.651 1.00 0.00 H new ATOM 0 HA LEU B 44 7.563 8.820 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.411 6.837 -10.501 1.00 0.00 H new ATOM 0 HB3 LEU B 44 8.108 6.898 -10.934 1.00 0.00 H new ATOM 0 HG LEU B 44 7.151 6.570 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.588 4.161 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.272 4.733 -9.428 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.888 4.430 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.381 5.695 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.836 6.053 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.405 7.378 -8.246 1.00 0.00 H new ATOM 1582 N GLU B 45 8.488 9.288 -11.910 1.00 0.00 N ATOM 1583 CA GLU B 45 9.451 9.962 -12.788 1.00 0.00 C ATOM 1584 C GLU B 45 9.493 11.475 -12.503 1.00 0.00 C ATOM 1585 O GLU B 45 10.567 12.066 -12.366 1.00 0.00 O ATOM 1586 CB GLU B 45 9.089 9.677 -14.254 1.00 0.00 C ATOM 1587 CG GLU B 45 10.255 9.997 -15.192 1.00 0.00 C ATOM 1588 CD GLU B 45 9.892 9.723 -16.661 1.00 0.00 C ATOM 1589 OE1 GLU B 45 10.062 8.574 -17.134 1.00 0.00 O ATOM 1590 OE2 GLU B 45 9.447 10.662 -17.368 1.00 0.00 O ATOM 0 H GLU B 45 7.723 8.842 -12.415 1.00 0.00 H new ATOM 0 HA GLU B 45 10.450 9.572 -12.591 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.809 8.629 -14.364 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.220 10.270 -14.537 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.539 11.043 -15.076 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.122 9.398 -14.913 1.00 0.00 H new ATOM 1597 N THR B 46 8.318 12.095 -12.345 1.00 0.00 N ATOM 1598 CA THR B 46 8.167 13.522 -11.987 1.00 0.00 C ATOM 1599 C THR B 46 8.855 13.878 -10.658 1.00 0.00 C ATOM 1600 O THR B 46 9.422 14.965 -10.535 1.00 0.00 O ATOM 1601 CB THR B 46 6.688 13.941 -11.945 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.032 13.626 -13.158 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.483 15.444 -11.744 1.00 0.00 C ATOM 0 H THR B 46 7.425 11.616 -12.463 1.00 0.00 H new ATOM 0 HA THR B 46 8.668 14.082 -12.776 1.00 0.00 H new ATOM 0 HB THR B 46 6.278 13.393 -11.097 1.00 0.00 H new ATOM 0 HG1 THR B 46 5.912 12.656 -13.223 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.416 15.666 -11.725 1.00 0.00 H new ATOM 0 HG22 THR B 46 6.935 15.750 -10.800 1.00 0.00 H new ATOM 0 HG23 THR B 46 6.952 15.988 -12.564 1.00 0.00 H new ATOM 1611 N ILE B 47 8.897 12.952 -9.686 1.00 0.00 N ATOM 1612 CA ILE B 47 9.588 13.104 -8.385 1.00 0.00 C ATOM 1613 C ILE B 47 11.111 13.325 -8.485 1.00 0.00 C ATOM 1614 O ILE B 47 11.775 13.671 -7.505 1.00 0.00 O ATOM 1615 CB ILE B 47 9.181 11.941 -7.430 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.495 12.462 -6.152 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.318 10.985 -7.020 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.105 13.056 -6.413 1.00 0.00 C ATOM 0 H ILE B 47 8.438 12.046 -9.782 1.00 0.00 H new ATOM 0 HA ILE B 47 9.243 14.040 -7.946 1.00 0.00 H new ATOM 0 HB ILE B 47 8.486 11.359 -8.036 1.00 0.00 H new ATOM 0 HG12 ILE B 47 8.405 11.645 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.127 13.221 -5.692 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.924 10.215 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.738 10.517 -7.910 1.00 0.00 H new ATOM 0 HG23 ILE B 47 11.097 11.546 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE B 47 6.676 13.405 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE B 47 7.191 13.894 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.459 12.293 -6.846 1.00 0.00 H new ATOM 1630 N ASN B 48 11.661 13.163 -9.686 1.00 0.00 N ATOM 1631 CA ASN B 48 13.086 13.292 -10.007 1.00 0.00 C ATOM 1632 C ASN B 48 13.355 13.985 -11.364 1.00 0.00 C ATOM 1633 O ASN B 48 14.471 13.923 -11.888 1.00 0.00 O ATOM 1634 CB ASN B 48 13.702 11.884 -9.925 1.00 0.00 C ATOM 1635 CG ASN B 48 15.157 11.910 -9.486 1.00 0.00 C ATOM 1636 OD1 ASN B 48 16.069 11.549 -10.216 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.419 12.323 -8.264 1.00 0.00 N ATOM 0 H ASN B 48 11.100 12.926 -10.504 1.00 0.00 H new ATOM 0 HA ASN B 48 13.561 13.955 -9.284 1.00 0.00 H new ATOM 0 HB2 ASN B 48 13.125 11.279 -9.225 1.00 0.00 H new ATOM 0 HB3 ASN B 48 13.628 11.401 -10.900 1.00 0.00 H new ATOM 0 HD21 ASN B 48 16.382 12.342 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN B 48 14.659 12.625 -7.654 1.00 0.00 H new