USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 500 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 81 SER OG : rot 39:sc= 0.0611 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.026) USER MOD Single : A 97 ASN : amide:sc= -0.923 K(o=-0.92,f=-13!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0645 USER MOD Single : A 107 HIS : no HE2:sc= -0.562 K(o=-0.56,f=-2.1!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 111 ASN : amide:sc= -0.0397 K(o=-0.04,f=-0.93) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= -0.235 (180deg=-1.43!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 137 ASN : amide:sc= -7.06! C(o=-7.1!,f=-11!) USER MOD Single : A 138 TYR OH : rot 148:sc= 0.542 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 160:sc= -1.29 (180deg=-2.28!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -17.749 -5.319 -2.057 1.00 0.00 N ATOM 16 CA SER A 81 -16.355 -5.503 -2.445 1.00 0.00 C ATOM 17 C SER A 81 -15.573 -4.217 -2.203 1.00 0.00 C ATOM 18 O SER A 81 -14.478 -4.239 -1.645 1.00 0.00 O ATOM 19 CB SER A 81 -16.270 -5.878 -3.924 1.00 0.00 C ATOM 20 OG SER A 81 -16.955 -7.106 -4.136 1.00 0.00 O ATOM 0 HA SER A 81 -15.926 -6.305 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.711 -5.092 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.228 -5.972 -4.228 1.00 0.00 H new ATOM 0 HG SER A 81 -17.771 -7.123 -3.593 1.00 0.00 H new ATOM 26 N GLU A 82 -16.140 -3.097 -2.636 1.00 0.00 N ATOM 27 CA GLU A 82 -15.484 -1.807 -2.471 1.00 0.00 C ATOM 28 C GLU A 82 -15.180 -1.551 -0.997 1.00 0.00 C ATOM 29 O GLU A 82 -14.097 -1.073 -0.649 1.00 0.00 O ATOM 30 CB GLU A 82 -16.396 -0.701 -3.022 1.00 0.00 C ATOM 31 CG GLU A 82 -15.578 0.538 -3.394 1.00 0.00 C ATOM 32 CD GLU A 82 -14.992 1.176 -2.140 1.00 0.00 C ATOM 33 OE1 GLU A 82 -15.629 1.091 -1.104 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.912 1.734 -2.234 1.00 0.00 O ATOM 0 H GLU A 82 -17.047 -3.056 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.543 -1.809 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.931 -1.067 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.147 -0.437 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.777 0.262 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.210 1.257 -3.916 1.00 0.00 H new ATOM 41 N GLU A 83 -16.133 -1.881 -0.130 1.00 0.00 N ATOM 42 CA GLU A 83 -15.942 -1.690 1.298 1.00 0.00 C ATOM 43 C GLU A 83 -14.801 -2.575 1.792 1.00 0.00 C ATOM 44 O GLU A 83 -13.998 -2.165 2.632 1.00 0.00 O ATOM 45 CB GLU A 83 -17.235 -2.033 2.043 1.00 0.00 C ATOM 46 CG GLU A 83 -18.308 -0.997 1.696 1.00 0.00 C ATOM 47 CD GLU A 83 -19.621 -1.346 2.390 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.966 -2.516 2.413 1.00 0.00 O ATOM 49 OE2 GLU A 83 -20.265 -0.434 2.886 1.00 0.00 O ATOM 0 H GLU A 83 -17.036 -2.278 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.688 -0.648 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.574 -3.031 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.057 -2.043 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.978 -0.004 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.456 -0.964 0.617 1.00 0.00 H new ATOM 56 N GLU A 84 -14.723 -3.781 1.244 1.00 0.00 N ATOM 57 CA GLU A 84 -13.673 -4.716 1.611 1.00 0.00 C ATOM 58 C GLU A 84 -12.305 -4.176 1.184 1.00 0.00 C ATOM 59 O GLU A 84 -11.318 -4.321 1.901 1.00 0.00 O ATOM 60 CB GLU A 84 -13.966 -6.080 0.963 1.00 0.00 C ATOM 61 CG GLU A 84 -12.689 -6.916 0.879 1.00 0.00 C ATOM 62 CD GLU A 84 -13.024 -8.387 0.640 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.172 -8.755 0.837 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.129 -9.124 0.264 1.00 0.00 O ATOM 0 H GLU A 84 -15.376 -4.133 0.544 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.650 -4.840 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.719 -6.612 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.379 -5.934 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.058 -6.545 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.119 -6.813 1.802 1.00 0.00 H new ATOM 71 N LEU A 85 -12.261 -3.549 0.023 1.00 0.00 N ATOM 72 CA LEU A 85 -11.012 -2.981 -0.479 1.00 0.00 C ATOM 73 C LEU A 85 -10.500 -1.920 0.484 1.00 0.00 C ATOM 74 O LEU A 85 -9.311 -1.873 0.803 1.00 0.00 O ATOM 75 CB LEU A 85 -11.244 -2.359 -1.859 1.00 0.00 C ATOM 76 CG LEU A 85 -9.980 -1.657 -2.356 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.785 -2.622 -2.338 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.219 -1.173 -3.787 1.00 0.00 C ATOM 0 H LEU A 85 -13.066 -3.418 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.269 -3.774 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.538 -3.133 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.066 -1.645 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.756 -0.815 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.894 -2.105 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.617 -2.974 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.995 -3.473 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.325 -0.670 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.444 -2.026 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.058 -0.478 -3.800 1.00 0.00 H new ATOM 90 N LYS A 86 -11.411 -1.077 0.946 1.00 0.00 N ATOM 91 CA LYS A 86 -11.057 -0.016 1.881 1.00 0.00 C ATOM 92 C LYS A 86 -10.570 -0.605 3.200 1.00 0.00 C ATOM 93 O LYS A 86 -9.678 -0.052 3.843 1.00 0.00 O ATOM 94 CB LYS A 86 -12.260 0.894 2.104 1.00 0.00 C ATOM 95 CG LYS A 86 -12.548 1.638 0.801 1.00 0.00 C ATOM 96 CD LYS A 86 -13.827 2.469 0.935 1.00 0.00 C ATOM 97 CE LYS A 86 -13.545 3.749 1.729 1.00 0.00 C ATOM 98 NZ LYS A 86 -14.734 4.643 1.659 1.00 0.00 N ATOM 0 H LYS A 86 -12.398 -1.105 0.691 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.244 0.574 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.128 0.308 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.057 1.601 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.709 2.287 0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.653 0.925 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.210 2.722 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.599 1.884 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.320 3.505 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.670 4.257 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.546 5.513 2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.929 4.885 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.559 4.156 2.065 1.00 0.00 H new ATOM 112 N GLU A 87 -11.120 -1.756 3.580 1.00 0.00 N ATOM 113 CA GLU A 87 -10.665 -2.412 4.800 1.00 0.00 C ATOM 114 C GLU A 87 -9.207 -2.805 4.611 1.00 0.00 C ATOM 115 O GLU A 87 -8.369 -2.592 5.487 1.00 0.00 O ATOM 116 CB GLU A 87 -11.512 -3.650 5.107 1.00 0.00 C ATOM 117 CG GLU A 87 -12.906 -3.213 5.562 1.00 0.00 C ATOM 118 CD GLU A 87 -13.804 -4.433 5.735 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.311 -5.536 5.567 1.00 0.00 O ATOM 120 OE2 GLU A 87 -14.972 -4.247 6.034 1.00 0.00 O ATOM 0 H GLU A 87 -11.861 -2.242 3.076 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.768 -1.728 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.588 -4.281 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.035 -4.247 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.836 -2.666 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.340 -2.533 4.829 1.00 0.00 H new ATOM 127 N ALA A 88 -8.915 -3.361 3.438 1.00 0.00 N ATOM 128 CA ALA A 88 -7.554 -3.762 3.107 1.00 0.00 C ATOM 129 C ALA A 88 -6.642 -2.540 3.150 1.00 0.00 C ATOM 130 O ALA A 88 -5.535 -2.591 3.679 1.00 0.00 O ATOM 131 CB ALA A 88 -7.521 -4.387 1.708 1.00 0.00 C ATOM 0 H ALA A 88 -9.601 -3.543 2.705 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.207 -4.499 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.501 -4.685 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.170 -5.263 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.869 -3.659 0.976 1.00 0.00 H new ATOM 137 N PHE A 89 -7.134 -1.437 2.602 1.00 0.00 N ATOM 138 CA PHE A 89 -6.377 -0.195 2.587 1.00 0.00 C ATOM 139 C PHE A 89 -6.032 0.236 4.011 1.00 0.00 C ATOM 140 O PHE A 89 -4.889 0.587 4.306 1.00 0.00 O ATOM 141 CB PHE A 89 -7.202 0.875 1.889 1.00 0.00 C ATOM 142 CG PHE A 89 -6.480 2.190 1.969 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.313 2.382 1.227 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.974 3.212 2.783 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.635 3.600 1.296 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.296 4.433 2.854 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.127 4.626 2.109 1.00 0.00 C ATOM 0 H PHE A 89 -8.053 -1.378 2.163 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.442 -0.342 2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.367 0.601 0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.183 0.957 2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.935 1.588 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.877 3.060 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.732 3.750 0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.674 5.226 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.604 5.569 2.162 1.00 0.00 H new ATOM 157 N ARG A 90 -7.026 0.195 4.888 1.00 0.00 N ATOM 158 CA ARG A 90 -6.831 0.563 6.272 1.00 0.00 C ATOM 159 C ARG A 90 -5.871 -0.413 6.952 1.00 0.00 C ATOM 160 O ARG A 90 -5.087 -0.028 7.820 1.00 0.00 O ATOM 161 CB ARG A 90 -8.169 0.562 6.984 1.00 0.00 C ATOM 162 CG ARG A 90 -9.019 1.736 6.492 1.00 0.00 C ATOM 163 CD ARG A 90 -10.360 1.726 7.229 1.00 0.00 C ATOM 164 NE ARG A 90 -11.139 0.561 6.833 1.00 0.00 N ATOM 165 CZ ARG A 90 -12.271 0.245 7.455 1.00 0.00 C ATOM 166 NH1 ARG A 90 -13.287 1.063 7.424 1.00 0.00 N ATOM 167 NH2 ARG A 90 -12.366 -0.889 8.096 1.00 0.00 N ATOM 0 H ARG A 90 -7.977 -0.092 4.658 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.396 1.561 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.689 -0.378 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.018 0.636 8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.499 2.677 6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.180 1.659 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.192 1.712 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.914 2.637 7.005 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.810 -0.023 6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.214 1.948 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.154 0.818 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.573 -1.530 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.233 -1.134 8.574 1.00 0.00 H new ATOM 181 N VAL A 91 -5.921 -1.673 6.523 1.00 0.00 N ATOM 182 CA VAL A 91 -5.032 -2.701 7.064 1.00 0.00 C ATOM 183 C VAL A 91 -3.591 -2.413 6.650 1.00 0.00 C ATOM 184 O VAL A 91 -2.664 -2.513 7.455 1.00 0.00 O ATOM 185 CB VAL A 91 -5.452 -4.084 6.530 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.350 -5.118 6.803 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.756 -4.535 7.206 1.00 0.00 C ATOM 0 H VAL A 91 -6.565 -2.006 5.805 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.102 -2.694 8.152 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.610 -4.007 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.660 -6.090 6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.430 -4.809 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.176 -5.189 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.045 -5.513 6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.604 -4.598 8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.545 -3.814 6.992 1.00 0.00 H new ATOM 197 N PHE A 92 -3.423 -2.079 5.375 1.00 0.00 N ATOM 198 CA PHE A 92 -2.107 -1.800 4.808 1.00 0.00 C ATOM 199 C PHE A 92 -1.418 -0.625 5.497 1.00 0.00 C ATOM 200 O PHE A 92 -0.203 -0.635 5.687 1.00 0.00 O ATOM 201 CB PHE A 92 -2.251 -1.473 3.307 1.00 0.00 C ATOM 202 CG PHE A 92 -2.413 -2.740 2.492 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.393 -3.698 2.478 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.576 -2.957 1.742 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.540 -4.865 1.721 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.725 -4.118 0.988 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.707 -5.077 0.976 1.00 0.00 C ATOM 0 H PHE A 92 -4.190 -1.994 4.708 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.495 -2.690 4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.113 -0.824 3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.374 -0.925 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.492 -3.536 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.363 -2.218 1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.752 -5.604 1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.625 -4.278 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.821 -5.979 0.393 1.00 0.00 H new ATOM 217 N ASP A 93 -2.187 0.396 5.831 1.00 0.00 N ATOM 218 CA ASP A 93 -1.625 1.590 6.454 1.00 0.00 C ATOM 219 C ASP A 93 -1.476 1.436 7.968 1.00 0.00 C ATOM 220 O ASP A 93 -2.420 1.668 8.723 1.00 0.00 O ATOM 221 CB ASP A 93 -2.518 2.789 6.138 1.00 0.00 C ATOM 222 CG ASP A 93 -1.807 4.075 6.534 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.878 3.989 7.314 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.199 5.125 6.056 1.00 0.00 O ATOM 0 H ASP A 93 -3.196 0.427 5.684 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.626 1.744 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.757 2.807 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.462 2.703 6.676 1.00 0.00 H new ATOM 229 N LYS A 94 -0.279 1.039 8.401 1.00 0.00 N ATOM 230 CA LYS A 94 -0.014 0.859 9.820 1.00 0.00 C ATOM 231 C LYS A 94 -0.227 2.186 10.554 1.00 0.00 C ATOM 232 O LYS A 94 -0.905 2.241 11.579 1.00 0.00 O ATOM 233 CB LYS A 94 1.440 0.399 10.007 1.00 0.00 C ATOM 234 CG LYS A 94 1.569 -0.456 11.268 1.00 0.00 C ATOM 235 CD LYS A 94 1.095 0.331 12.500 1.00 0.00 C ATOM 236 CE LYS A 94 1.686 -0.284 13.777 1.00 0.00 C ATOM 237 NZ LYS A 94 3.073 0.227 13.970 1.00 0.00 N ATOM 0 H LYS A 94 0.514 0.838 7.791 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.693 0.109 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.762 -0.173 9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.096 1.266 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.978 -1.366 11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.606 -0.764 11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.400 1.374 12.414 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.006 0.320 12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.068 -0.028 14.638 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.693 -1.371 13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.478 -0.187 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.658 -0.038 13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.052 1.263 14.059 1.00 0.00 H new ATOM 251 N ASP A 95 0.363 3.258 9.999 1.00 0.00 N ATOM 252 CA ASP A 95 0.244 4.593 10.587 1.00 0.00 C ATOM 253 C ASP A 95 -1.186 5.046 10.509 1.00 0.00 C ATOM 254 O ASP A 95 -1.730 5.561 11.487 1.00 0.00 O ATOM 255 CB ASP A 95 1.104 5.592 9.837 1.00 0.00 C ATOM 256 CG ASP A 95 2.480 5.004 9.622 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.969 4.353 10.528 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.018 5.198 8.544 1.00 0.00 O ATOM 0 H ASP A 95 0.924 3.222 9.148 1.00 0.00 H new ATOM 0 HA ASP A 95 0.576 4.540 11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.646 5.836 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.177 6.522 10.401 1.00 0.00 H new ATOM 263 N GLN A 96 -1.819 4.794 9.338 1.00 0.00 N ATOM 264 CA GLN A 96 -3.231 5.121 9.142 1.00 0.00 C ATOM 265 C GLN A 96 -3.459 6.618 8.953 1.00 0.00 C ATOM 266 O GLN A 96 -4.299 7.223 9.612 1.00 0.00 O ATOM 267 CB GLN A 96 -3.921 4.631 10.381 1.00 0.00 C ATOM 268 CG GLN A 96 -5.341 4.073 10.226 1.00 0.00 C ATOM 269 CD GLN A 96 -5.668 3.841 11.669 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.218 4.700 12.376 1.00 0.00 O ATOM 271 NE2 GLN A 96 -5.120 2.797 12.127 1.00 0.00 N ATOM 0 H GLN A 96 -1.369 4.369 8.528 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.617 4.654 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.301 3.853 10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.959 5.455 11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.020 4.780 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.370 3.157 9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.684 2.129 11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.114 2.623 13.132 1.00 0.00 H new ATOM 280 N ASN A 97 -2.706 7.208 8.032 1.00 0.00 N ATOM 281 CA ASN A 97 -2.830 8.635 7.740 1.00 0.00 C ATOM 282 C ASN A 97 -3.474 8.816 6.372 1.00 0.00 C ATOM 283 O ASN A 97 -3.513 9.918 5.828 1.00 0.00 O ATOM 284 CB ASN A 97 -1.447 9.271 7.758 1.00 0.00 C ATOM 285 CG ASN A 97 -0.575 8.596 6.713 1.00 0.00 C ATOM 286 OD1 ASN A 97 -1.032 7.693 6.012 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.660 8.976 6.566 1.00 0.00 N ATOM 0 H ASN A 97 -2.003 6.723 7.474 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.455 9.116 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.522 10.339 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.998 9.167 8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.253 8.526 5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.036 9.724 7.148 1.00 0.00 H new ATOM 294 N GLY A 98 -3.974 7.709 5.821 1.00 0.00 N ATOM 295 CA GLY A 98 -4.609 7.732 4.508 1.00 0.00 C ATOM 296 C GLY A 98 -3.566 7.537 3.416 1.00 0.00 C ATOM 297 O GLY A 98 -3.749 7.973 2.278 1.00 0.00 O ATOM 0 H GLY A 98 -3.951 6.790 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.362 6.946 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.126 8.681 4.362 1.00 0.00 H new ATOM 301 N PHE A 99 -2.473 6.871 3.774 1.00 0.00 N ATOM 302 CA PHE A 99 -1.393 6.604 2.828 1.00 0.00 C ATOM 303 C PHE A 99 -0.669 5.321 3.200 1.00 0.00 C ATOM 304 O PHE A 99 -0.581 4.972 4.374 1.00 0.00 O ATOM 305 CB PHE A 99 -0.376 7.744 2.852 1.00 0.00 C ATOM 306 CG PHE A 99 -1.010 9.004 2.322 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.769 9.812 3.171 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.844 9.355 0.980 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.364 10.979 2.680 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.439 10.521 0.484 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.200 11.334 1.336 1.00 0.00 C ATOM 0 H PHE A 99 -2.311 6.506 4.712 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.833 6.512 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.020 7.905 3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.493 7.481 2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.897 9.536 4.207 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.257 8.727 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.949 11.605 3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.312 10.794 -0.553 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.660 12.234 0.955 1.00 0.00 H new ATOM 321 N ILE A 100 -0.104 4.648 2.203 1.00 0.00 N ATOM 322 CA ILE A 100 0.670 3.433 2.453 1.00 0.00 C ATOM 323 C ILE A 100 2.116 3.717 2.090 1.00 0.00 C ATOM 324 O ILE A 100 2.415 4.179 0.989 1.00 0.00 O ATOM 325 CB ILE A 100 0.141 2.254 1.638 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.319 2.010 2.009 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.963 1.004 1.966 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.948 1.039 1.011 1.00 0.00 C ATOM 0 H ILE A 100 -0.165 4.919 1.221 1.00 0.00 H new ATOM 0 HA ILE A 100 0.584 3.158 3.504 1.00 0.00 H new ATOM 0 HB ILE A 100 0.220 2.474 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.385 1.603 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.867 2.952 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.589 0.160 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.009 1.181 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.877 0.781 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.991 0.867 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.896 1.463 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.407 0.093 1.033 1.00 0.00 H new ATOM 340 N SER A 101 3.002 3.456 3.035 1.00 0.00 N ATOM 341 CA SER A 101 4.427 3.699 2.833 1.00 0.00 C ATOM 342 C SER A 101 5.163 2.384 2.666 1.00 0.00 C ATOM 343 O SER A 101 4.706 1.344 3.142 1.00 0.00 O ATOM 344 CB SER A 101 4.997 4.446 4.039 1.00 0.00 C ATOM 345 OG SER A 101 6.410 4.524 3.920 1.00 0.00 O ATOM 0 H SER A 101 2.764 3.076 3.951 1.00 0.00 H new ATOM 0 HA SER A 101 4.557 4.300 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.570 5.447 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.726 3.931 4.961 1.00 0.00 H new ATOM 0 HG SER A 101 6.777 5.004 4.691 1.00 0.00 H new ATOM 351 N ALA A 102 6.318 2.429 2.009 1.00 0.00 N ATOM 352 CA ALA A 102 7.102 1.219 1.827 1.00 0.00 C ATOM 353 C ALA A 102 7.335 0.604 3.195 1.00 0.00 C ATOM 354 O ALA A 102 7.229 -0.609 3.380 1.00 0.00 O ATOM 355 CB ALA A 102 8.441 1.552 1.174 1.00 0.00 C ATOM 0 H ALA A 102 6.723 3.272 1.603 1.00 0.00 H new ATOM 0 HA ALA A 102 6.571 0.521 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.019 0.637 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.267 2.014 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.994 2.243 1.810 1.00 0.00 H new ATOM 361 N ALA A 103 7.627 1.474 4.156 1.00 0.00 N ATOM 362 CA ALA A 103 7.853 1.048 5.526 1.00 0.00 C ATOM 363 C ALA A 103 6.657 0.243 6.009 1.00 0.00 C ATOM 364 O ALA A 103 6.802 -0.866 6.523 1.00 0.00 O ATOM 365 CB ALA A 103 8.023 2.283 6.410 1.00 0.00 C ATOM 0 H ALA A 103 7.712 2.480 4.008 1.00 0.00 H new ATOM 0 HA ALA A 103 8.750 0.431 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.193 1.972 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.876 2.866 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.121 2.894 6.359 1.00 0.00 H new ATOM 371 N GLU A 104 5.471 0.811 5.822 1.00 0.00 N ATOM 372 CA GLU A 104 4.249 0.150 6.218 1.00 0.00 C ATOM 373 C GLU A 104 4.064 -1.120 5.400 1.00 0.00 C ATOM 374 O GLU A 104 3.680 -2.163 5.926 1.00 0.00 O ATOM 375 CB GLU A 104 3.079 1.098 5.982 1.00 0.00 C ATOM 376 CG GLU A 104 3.147 2.250 6.985 1.00 0.00 C ATOM 377 CD GLU A 104 2.020 3.237 6.715 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.811 3.570 5.559 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.387 3.651 7.670 1.00 0.00 O ATOM 0 H GLU A 104 5.338 1.729 5.398 1.00 0.00 H new ATOM 0 HA GLU A 104 4.296 -0.118 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.111 1.486 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.136 0.563 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.069 1.864 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.110 2.754 6.909 1.00 0.00 H new ATOM 386 N LEU A 105 4.348 -1.018 4.107 1.00 0.00 N ATOM 387 CA LEU A 105 4.222 -2.157 3.210 1.00 0.00 C ATOM 388 C LEU A 105 5.191 -3.266 3.630 1.00 0.00 C ATOM 389 O LEU A 105 4.845 -4.446 3.610 1.00 0.00 O ATOM 390 CB LEU A 105 4.521 -1.711 1.769 1.00 0.00 C ATOM 391 CG LEU A 105 3.875 -2.689 0.759 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.427 -2.270 0.474 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.666 -2.674 -0.555 1.00 0.00 C ATOM 0 H LEU A 105 4.666 -0.159 3.658 1.00 0.00 H new ATOM 0 HA LEU A 105 3.205 -2.545 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.138 -0.704 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.599 -1.672 1.609 1.00 0.00 H new ATOM 0 HG LEU A 105 3.887 -3.692 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.981 -2.964 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.855 -2.284 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.415 -1.264 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.208 -3.364 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.659 -1.667 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.695 -2.980 -0.364 1.00 0.00 H new ATOM 405 N ARG A 106 6.400 -2.870 4.026 1.00 0.00 N ATOM 406 CA ARG A 106 7.397 -3.826 4.467 1.00 0.00 C ATOM 407 C ARG A 106 6.903 -4.559 5.709 1.00 0.00 C ATOM 408 O ARG A 106 7.050 -5.775 5.827 1.00 0.00 O ATOM 409 CB ARG A 106 8.703 -3.100 4.779 1.00 0.00 C ATOM 410 CG ARG A 106 9.769 -4.116 5.174 1.00 0.00 C ATOM 411 CD ARG A 106 11.096 -3.400 5.395 1.00 0.00 C ATOM 412 NE ARG A 106 11.638 -2.926 4.126 1.00 0.00 N ATOM 413 CZ ARG A 106 12.702 -2.127 4.084 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.758 -2.402 4.802 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.691 -1.069 3.321 1.00 0.00 N ATOM 0 H ARG A 106 6.705 -1.897 4.048 1.00 0.00 H new ATOM 0 HA ARG A 106 7.570 -4.552 3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.032 -2.532 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.550 -2.385 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.470 -4.638 6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.876 -4.869 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.954 -2.559 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.806 -4.076 5.871 1.00 0.00 H new ATOM 0 HE ARG A 106 11.193 -3.212 3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.769 -3.231 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.572 -1.788 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.868 -0.855 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.505 -0.456 3.288 1.00 0.00 H new ATOM 429 N HIS A 107 6.320 -3.802 6.633 1.00 0.00 N ATOM 430 CA HIS A 107 5.805 -4.373 7.871 1.00 0.00 C ATOM 431 C HIS A 107 4.614 -5.291 7.600 1.00 0.00 C ATOM 432 O HIS A 107 4.533 -6.394 8.141 1.00 0.00 O ATOM 433 CB HIS A 107 5.386 -3.245 8.818 1.00 0.00 C ATOM 434 CG HIS A 107 6.615 -2.584 9.385 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.908 -1.247 9.166 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.640 -3.071 10.158 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.066 -0.977 9.795 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.554 -2.055 10.417 1.00 0.00 N ATOM 0 H HIS A 107 6.193 -2.794 6.548 1.00 0.00 H new ATOM 0 HA HIS A 107 6.594 -4.968 8.331 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.780 -2.513 8.284 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.769 -3.642 9.624 1.00 0.00 H new ATOM 0 HD1 HIS A 107 6.347 -0.588 8.626 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.724 -4.088 10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.543 -0.008 9.797 1.00 0.00 H new ATOM 446 N VAL A 108 3.694 -4.831 6.760 1.00 0.00 N ATOM 447 CA VAL A 108 2.512 -5.619 6.422 1.00 0.00 C ATOM 448 C VAL A 108 2.920 -6.876 5.654 1.00 0.00 C ATOM 449 O VAL A 108 2.413 -7.968 5.914 1.00 0.00 O ATOM 450 CB VAL A 108 1.543 -4.770 5.591 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.347 -5.624 5.143 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.046 -3.594 6.444 1.00 0.00 C ATOM 0 H VAL A 108 3.742 -3.921 6.302 1.00 0.00 H new ATOM 0 HA VAL A 108 2.010 -5.925 7.340 1.00 0.00 H new ATOM 0 HB VAL A 108 2.058 -4.393 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.336 -5.013 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.702 -6.458 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.175 -6.008 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.356 -2.986 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.534 -3.976 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.895 -2.984 6.753 1.00 0.00 H new ATOM 462 N MET A 109 3.852 -6.712 4.721 1.00 0.00 N ATOM 463 CA MET A 109 4.344 -7.833 3.927 1.00 0.00 C ATOM 464 C MET A 109 5.046 -8.842 4.838 1.00 0.00 C ATOM 465 O MET A 109 4.978 -10.049 4.618 1.00 0.00 O ATOM 466 CB MET A 109 5.317 -7.325 2.854 1.00 0.00 C ATOM 467 CG MET A 109 4.528 -6.743 1.676 1.00 0.00 C ATOM 468 SD MET A 109 3.810 -8.088 0.703 1.00 0.00 S ATOM 469 CE MET A 109 2.809 -7.059 -0.399 1.00 0.00 C ATOM 0 H MET A 109 4.282 -5.815 4.496 1.00 0.00 H new ATOM 0 HA MET A 109 3.503 -8.323 3.436 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.974 -6.564 3.276 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.953 -8.141 2.511 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.740 -6.085 2.043 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.183 -6.137 1.050 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.268 -7.695 -1.099 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.097 -6.481 0.190 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.458 -6.380 -0.953 1.00 0.00 H new ATOM 479 N THR A 110 5.713 -8.330 5.867 1.00 0.00 N ATOM 480 CA THR A 110 6.416 -9.182 6.824 1.00 0.00 C ATOM 481 C THR A 110 5.415 -9.999 7.642 1.00 0.00 C ATOM 482 O THR A 110 5.631 -11.183 7.907 1.00 0.00 O ATOM 483 CB THR A 110 7.280 -8.324 7.751 1.00 0.00 C ATOM 484 OG1 THR A 110 8.260 -7.645 6.978 1.00 0.00 O ATOM 485 CG2 THR A 110 7.970 -9.215 8.783 1.00 0.00 C ATOM 0 H THR A 110 5.783 -7.331 6.061 1.00 0.00 H new ATOM 0 HA THR A 110 7.060 -9.869 6.276 1.00 0.00 H new ATOM 0 HB THR A 110 6.652 -7.599 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.954 -6.733 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.584 -8.601 9.441 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.218 -9.739 9.373 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.601 -9.942 8.272 1.00 0.00 H new ATOM 493 N ASN A 111 4.312 -9.359 8.020 1.00 0.00 N ATOM 494 CA ASN A 111 3.259 -10.023 8.787 1.00 0.00 C ATOM 495 C ASN A 111 2.646 -11.132 7.940 1.00 0.00 C ATOM 496 O ASN A 111 2.242 -12.183 8.437 1.00 0.00 O ATOM 497 CB ASN A 111 2.165 -9.012 9.142 1.00 0.00 C ATOM 498 CG ASN A 111 2.698 -7.977 10.126 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.512 -8.300 10.991 1.00 0.00 O ATOM 500 ND2 ASN A 111 2.285 -6.742 10.040 1.00 0.00 N ATOM 0 H ASN A 111 4.123 -8.379 7.808 1.00 0.00 H new ATOM 0 HA ASN A 111 3.685 -10.439 9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.812 -8.516 8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.310 -9.529 9.576 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.637 -6.040 10.691 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.610 -6.479 9.322 1.00 0.00 H new ATOM 507 N LEU A 112 2.582 -10.845 6.652 1.00 0.00 N ATOM 508 CA LEU A 112 2.018 -11.743 5.651 1.00 0.00 C ATOM 509 C LEU A 112 2.719 -13.102 5.692 1.00 0.00 C ATOM 510 O LEU A 112 2.120 -14.143 5.423 1.00 0.00 O ATOM 511 CB LEU A 112 2.270 -11.080 4.277 1.00 0.00 C ATOM 512 CG LEU A 112 1.194 -11.400 3.218 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.760 -12.870 3.250 1.00 0.00 C ATOM 514 CD2 LEU A 112 -0.020 -10.487 3.423 1.00 0.00 C ATOM 0 H LEU A 112 2.925 -9.967 6.262 1.00 0.00 H new ATOM 0 HA LEU A 112 0.956 -11.907 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.323 -10.000 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.241 -11.403 3.902 1.00 0.00 H new ATOM 0 HG LEU A 112 1.635 -11.218 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.002 -13.042 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.622 -13.508 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.347 -13.106 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.778 -10.716 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.433 -10.649 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.287 -9.446 3.323 1.00 0.00 H new ATOM 526 N GLY A 113 4.009 -13.066 5.991 1.00 0.00 N ATOM 527 CA GLY A 113 4.821 -14.276 6.008 1.00 0.00 C ATOM 528 C GLY A 113 5.543 -14.359 4.675 1.00 0.00 C ATOM 529 O GLY A 113 6.094 -15.394 4.296 1.00 0.00 O ATOM 0 H GLY A 113 4.517 -12.213 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.536 -14.247 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.196 -15.156 6.161 1.00 0.00 H new ATOM 533 N GLU A 114 5.562 -13.210 3.996 1.00 0.00 N ATOM 534 CA GLU A 114 6.241 -13.050 2.718 1.00 0.00 C ATOM 535 C GLU A 114 7.445 -12.145 2.939 1.00 0.00 C ATOM 536 O GLU A 114 7.347 -11.162 3.672 1.00 0.00 O ATOM 537 CB GLU A 114 5.299 -12.405 1.709 1.00 0.00 C ATOM 538 CG GLU A 114 4.171 -13.376 1.383 1.00 0.00 C ATOM 539 CD GLU A 114 4.706 -14.565 0.593 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.762 -14.429 -0.002 1.00 0.00 O ATOM 541 OE2 GLU A 114 4.049 -15.594 0.587 1.00 0.00 O ATOM 0 H GLU A 114 5.102 -12.361 4.324 1.00 0.00 H new ATOM 0 HA GLU A 114 6.555 -14.020 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.892 -11.479 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.843 -12.143 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.704 -13.724 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.399 -12.866 0.807 1.00 0.00 H new ATOM 548 N LYS A 115 8.582 -12.478 2.331 1.00 0.00 N ATOM 549 CA LYS A 115 9.799 -11.672 2.504 1.00 0.00 C ATOM 550 C LYS A 115 10.248 -11.054 1.191 1.00 0.00 C ATOM 551 O LYS A 115 10.881 -11.712 0.365 1.00 0.00 O ATOM 552 CB LYS A 115 10.920 -12.547 3.060 1.00 0.00 C ATOM 553 CG LYS A 115 10.586 -12.949 4.502 1.00 0.00 C ATOM 554 CD LYS A 115 11.737 -13.771 5.103 1.00 0.00 C ATOM 555 CE LYS A 115 11.633 -15.235 4.661 1.00 0.00 C ATOM 556 NZ LYS A 115 10.316 -15.789 5.086 1.00 0.00 N ATOM 0 H LYS A 115 8.691 -13.288 1.721 1.00 0.00 H new ATOM 0 HA LYS A 115 9.571 -10.866 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.042 -13.437 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.866 -12.007 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.412 -12.058 5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.665 -13.531 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.694 -13.356 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.707 -13.710 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 115 11.738 -15.308 3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.443 -15.817 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.394 -16.820 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.035 -15.361 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.599 -15.574 4.364 1.00 0.00 H new ATOM 570 N LEU A 116 9.924 -9.776 1.010 1.00 0.00 N ATOM 571 CA LEU A 116 10.303 -9.054 -0.201 1.00 0.00 C ATOM 572 C LEU A 116 11.554 -8.230 0.060 1.00 0.00 C ATOM 573 O LEU A 116 11.764 -7.729 1.164 1.00 0.00 O ATOM 574 CB LEU A 116 9.183 -8.107 -0.631 1.00 0.00 C ATOM 575 CG LEU A 116 8.009 -8.897 -1.210 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.408 -9.812 -0.133 1.00 0.00 C ATOM 577 CD2 LEU A 116 6.948 -7.907 -1.700 1.00 0.00 C ATOM 0 H LEU A 116 9.400 -9.220 1.686 1.00 0.00 H new ATOM 0 HA LEU A 116 10.489 -9.784 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.848 -7.519 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.558 -7.404 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 116 8.354 -9.515 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.572 -10.371 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.169 -10.508 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.055 -9.207 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.103 -8.456 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.607 -7.296 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.377 -7.264 -2.469 1.00 0.00 H new ATOM 589 N THR A 117 12.372 -8.078 -0.968 1.00 0.00 N ATOM 590 CA THR A 117 13.593 -7.294 -0.854 1.00 0.00 C ATOM 591 C THR A 117 13.271 -5.816 -1.015 1.00 0.00 C ATOM 592 O THR A 117 12.132 -5.449 -1.290 1.00 0.00 O ATOM 593 CB THR A 117 14.592 -7.728 -1.922 1.00 0.00 C ATOM 594 OG1 THR A 117 15.825 -7.054 -1.717 1.00 0.00 O ATOM 595 CG2 THR A 117 14.045 -7.384 -3.299 1.00 0.00 C ATOM 0 H THR A 117 12.214 -8.486 -1.890 1.00 0.00 H new ATOM 0 HA THR A 117 14.033 -7.459 0.129 1.00 0.00 H new ATOM 0 HB THR A 117 14.752 -8.804 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.468 -7.333 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.759 -7.694 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.099 -7.903 -3.455 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.884 -6.308 -3.368 1.00 0.00 H new ATOM 603 N ASP A 118 14.277 -4.975 -0.844 1.00 0.00 N ATOM 604 CA ASP A 118 14.081 -3.545 -0.979 1.00 0.00 C ATOM 605 C ASP A 118 13.656 -3.216 -2.410 1.00 0.00 C ATOM 606 O ASP A 118 12.822 -2.340 -2.637 1.00 0.00 O ATOM 607 CB ASP A 118 15.398 -2.834 -0.635 1.00 0.00 C ATOM 608 CG ASP A 118 15.517 -2.630 0.874 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.523 -2.273 1.485 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.597 -2.844 1.397 1.00 0.00 O ATOM 0 H ASP A 118 15.230 -5.256 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 118 13.298 -3.207 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.241 -3.423 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.441 -1.870 -1.143 1.00 0.00 H new ATOM 615 N GLU A 119 14.259 -3.914 -3.372 1.00 0.00 N ATOM 616 CA GLU A 119 13.968 -3.686 -4.785 1.00 0.00 C ATOM 617 C GLU A 119 12.532 -4.067 -5.154 1.00 0.00 C ATOM 618 O GLU A 119 11.869 -3.333 -5.886 1.00 0.00 O ATOM 619 CB GLU A 119 14.951 -4.494 -5.632 1.00 0.00 C ATOM 620 CG GLU A 119 16.365 -3.943 -5.440 1.00 0.00 C ATOM 621 CD GLU A 119 16.475 -2.552 -6.054 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.106 -2.405 -7.208 1.00 0.00 O ATOM 623 OE2 GLU A 119 16.927 -1.654 -5.363 1.00 0.00 O ATOM 0 H GLU A 119 14.952 -4.642 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 119 14.077 -2.620 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.917 -5.545 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.669 -4.442 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.605 -3.900 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.090 -4.612 -5.904 1.00 0.00 H new ATOM 630 N GLU A 120 12.033 -5.188 -4.634 1.00 0.00 N ATOM 631 CA GLU A 120 10.662 -5.582 -4.924 1.00 0.00 C ATOM 632 C GLU A 120 9.733 -4.569 -4.291 1.00 0.00 C ATOM 633 O GLU A 120 8.781 -4.094 -4.910 1.00 0.00 O ATOM 634 CB GLU A 120 10.369 -6.973 -4.357 1.00 0.00 C ATOM 635 CG GLU A 120 10.996 -8.033 -5.261 1.00 0.00 C ATOM 636 CD GLU A 120 10.207 -8.148 -6.561 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.051 -7.756 -6.566 1.00 0.00 O ATOM 638 OE2 GLU A 120 10.769 -8.627 -7.531 1.00 0.00 O ATOM 0 H GLU A 120 12.546 -5.824 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 120 10.513 -5.616 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.770 -7.058 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.293 -7.130 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.032 -7.771 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.011 -8.995 -4.749 1.00 0.00 H new ATOM 645 N VAL A 121 10.034 -4.244 -3.043 1.00 0.00 N ATOM 646 CA VAL A 121 9.245 -3.281 -2.296 1.00 0.00 C ATOM 647 C VAL A 121 9.259 -1.924 -3.006 1.00 0.00 C ATOM 648 O VAL A 121 8.213 -1.310 -3.207 1.00 0.00 O ATOM 649 CB VAL A 121 9.844 -3.152 -0.889 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.273 -1.929 -0.167 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.518 -4.411 -0.084 1.00 0.00 C ATOM 0 H VAL A 121 10.822 -4.635 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 121 8.210 -3.618 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 121 10.924 -3.032 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.711 -1.857 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.510 -1.029 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.191 -2.030 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.942 -4.323 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.437 -4.526 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.943 -5.282 -0.583 1.00 0.00 H new ATOM 661 N ASP A 122 10.449 -1.473 -3.387 1.00 0.00 N ATOM 662 CA ASP A 122 10.590 -0.198 -4.077 1.00 0.00 C ATOM 663 C ASP A 122 9.929 -0.244 -5.454 1.00 0.00 C ATOM 664 O ASP A 122 9.166 0.655 -5.813 1.00 0.00 O ATOM 665 CB ASP A 122 12.074 0.141 -4.231 1.00 0.00 C ATOM 666 CG ASP A 122 12.662 0.530 -2.878 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.891 0.737 -1.954 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.875 0.613 -2.783 1.00 0.00 O ATOM 0 H ASP A 122 11.326 -1.970 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 122 10.095 0.571 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.611 -0.716 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.197 0.960 -4.940 1.00 0.00 H new ATOM 673 N GLU A 123 10.235 -1.283 -6.231 1.00 0.00 N ATOM 674 CA GLU A 123 9.673 -1.417 -7.574 1.00 0.00 C ATOM 675 C GLU A 123 8.151 -1.372 -7.530 1.00 0.00 C ATOM 676 O GLU A 123 7.517 -0.708 -8.350 1.00 0.00 O ATOM 677 CB GLU A 123 10.134 -2.738 -8.202 1.00 0.00 C ATOM 678 CG GLU A 123 11.585 -2.602 -8.669 1.00 0.00 C ATOM 679 CD GLU A 123 11.650 -1.733 -9.921 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.944 -2.040 -10.868 1.00 0.00 O ATOM 681 OE2 GLU A 123 12.405 -0.774 -9.915 1.00 0.00 O ATOM 0 H GLU A 123 10.863 -2.038 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 123 10.027 -0.583 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.049 -3.547 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.492 -2.996 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.191 -2.160 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.003 -3.587 -8.878 1.00 0.00 H new ATOM 688 N MET A 124 7.571 -2.063 -6.560 1.00 0.00 N ATOM 689 CA MET A 124 6.123 -2.078 -6.405 1.00 0.00 C ATOM 690 C MET A 124 5.620 -0.685 -6.044 1.00 0.00 C ATOM 691 O MET A 124 4.608 -0.213 -6.562 1.00 0.00 O ATOM 692 CB MET A 124 5.760 -3.069 -5.296 1.00 0.00 C ATOM 693 CG MET A 124 4.274 -2.969 -4.966 1.00 0.00 C ATOM 694 SD MET A 124 3.771 -4.441 -4.036 1.00 0.00 S ATOM 695 CE MET A 124 2.214 -3.791 -3.382 1.00 0.00 C ATOM 0 H MET A 124 8.078 -2.619 -5.871 1.00 0.00 H new ATOM 0 HA MET A 124 5.655 -2.381 -7.342 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.002 -4.084 -5.611 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.353 -2.862 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.079 -2.070 -4.381 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.690 -2.886 -5.883 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.731 -4.552 -2.768 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.415 -2.908 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.557 -3.521 -4.209 1.00 0.00 H new ATOM 705 N ILE A 125 6.355 -0.048 -5.152 1.00 0.00 N ATOM 706 CA ILE A 125 6.031 1.298 -4.693 1.00 0.00 C ATOM 707 C ILE A 125 6.181 2.329 -5.819 1.00 0.00 C ATOM 708 O ILE A 125 5.319 3.190 -5.996 1.00 0.00 O ATOM 709 CB ILE A 125 6.943 1.627 -3.500 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.520 0.783 -2.274 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.895 3.118 -3.162 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.347 1.440 -1.523 1.00 0.00 C ATOM 0 H ILE A 125 7.192 -0.444 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 125 4.987 1.340 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 125 7.970 1.381 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.232 -0.217 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.368 0.667 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.550 3.320 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.227 3.697 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.874 3.401 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.072 0.824 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.645 2.430 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.492 1.532 -2.193 1.00 0.00 H new ATOM 724 N ARG A 126 7.266 2.235 -6.583 1.00 0.00 N ATOM 725 CA ARG A 126 7.492 3.163 -7.690 1.00 0.00 C ATOM 726 C ARG A 126 6.490 2.897 -8.810 1.00 0.00 C ATOM 727 O ARG A 126 6.030 3.818 -9.485 1.00 0.00 O ATOM 728 CB ARG A 126 8.916 3.018 -8.237 1.00 0.00 C ATOM 729 CG ARG A 126 9.170 4.090 -9.307 1.00 0.00 C ATOM 730 CD ARG A 126 10.568 3.900 -9.896 1.00 0.00 C ATOM 731 NE ARG A 126 11.585 4.081 -8.863 1.00 0.00 N ATOM 732 CZ ARG A 126 12.112 5.276 -8.603 1.00 0.00 C ATOM 733 NH1 ARG A 126 11.341 6.289 -8.315 1.00 0.00 N ATOM 734 NH2 ARG A 126 13.406 5.433 -8.633 1.00 0.00 N ATOM 0 H ARG A 126 7.996 1.534 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 126 7.359 4.178 -7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.639 3.119 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.053 2.024 -8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.419 4.019 -10.094 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.080 5.084 -8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.654 2.904 -10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.730 4.614 -10.703 1.00 0.00 H new ATOM 0 HE ARG A 126 11.899 3.272 -8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.329 6.168 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.751 7.202 -8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.011 4.642 -8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.814 6.347 -8.434 1.00 0.00 H new ATOM 748 N GLU A 127 6.163 1.623 -8.992 1.00 0.00 N ATOM 749 CA GLU A 127 5.216 1.215 -10.025 1.00 0.00 C ATOM 750 C GLU A 127 3.807 1.686 -9.672 1.00 0.00 C ATOM 751 O GLU A 127 3.048 2.118 -10.540 1.00 0.00 O ATOM 752 CB GLU A 127 5.246 -0.310 -10.169 1.00 0.00 C ATOM 753 CG GLU A 127 4.380 -0.751 -11.352 1.00 0.00 C ATOM 754 CD GLU A 127 5.038 -0.334 -12.663 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.165 0.128 -12.618 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.406 -0.489 -13.694 1.00 0.00 O ATOM 0 H GLU A 127 6.539 0.854 -8.438 1.00 0.00 H new ATOM 0 HA GLU A 127 5.501 1.672 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.272 -0.648 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.885 -0.776 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.245 -1.832 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.389 -0.304 -11.275 1.00 0.00 H new ATOM 763 N ALA A 128 3.467 1.605 -8.387 1.00 0.00 N ATOM 764 CA ALA A 128 2.148 2.035 -7.929 1.00 0.00 C ATOM 765 C ALA A 128 2.111 3.554 -7.767 1.00 0.00 C ATOM 766 O ALA A 128 1.040 4.137 -7.631 1.00 0.00 O ATOM 767 CB ALA A 128 1.788 1.359 -6.599 1.00 0.00 C ATOM 0 H ALA A 128 4.079 1.250 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 128 1.415 1.740 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.802 1.693 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.779 0.277 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.527 1.626 -5.843 1.00 0.00 H new ATOM 773 N ASP A 129 3.287 4.192 -7.788 1.00 0.00 N ATOM 774 CA ASP A 129 3.379 5.651 -7.645 1.00 0.00 C ATOM 775 C ASP A 129 3.579 6.317 -9.004 1.00 0.00 C ATOM 776 O ASP A 129 4.551 6.043 -9.708 1.00 0.00 O ATOM 777 CB ASP A 129 4.544 6.013 -6.717 1.00 0.00 C ATOM 778 CG ASP A 129 4.152 5.759 -5.266 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.137 6.293 -4.850 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.872 5.042 -4.593 1.00 0.00 O ATOM 0 H ASP A 129 4.186 3.723 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 129 2.445 6.013 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.422 5.421 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.815 7.060 -6.851 1.00 0.00 H new ATOM 785 N VAL A 130 2.635 7.181 -9.368 1.00 0.00 N ATOM 786 CA VAL A 130 2.670 7.889 -10.647 1.00 0.00 C ATOM 787 C VAL A 130 3.055 9.343 -10.427 1.00 0.00 C ATOM 788 O VAL A 130 3.527 10.022 -11.340 1.00 0.00 O ATOM 789 CB VAL A 130 1.288 7.783 -11.308 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.271 8.584 -10.495 1.00 0.00 C ATOM 791 CG2 VAL A 130 1.331 8.323 -12.740 1.00 0.00 C ATOM 0 H VAL A 130 1.827 7.410 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 130 3.416 7.440 -11.302 1.00 0.00 H new ATOM 0 HB VAL A 130 0.996 6.733 -11.338 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.710 8.509 -10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 130 0.220 8.185 -9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.577 9.630 -10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.342 8.239 -13.190 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.635 9.370 -12.725 1.00 0.00 H new ATOM 0 HG23 VAL A 130 2.047 7.746 -13.325 1.00 0.00 H new ATOM 801 N ASP A 131 2.908 9.793 -9.189 1.00 0.00 N ATOM 802 CA ASP A 131 3.297 11.147 -8.816 1.00 0.00 C ATOM 803 C ASP A 131 4.634 11.046 -8.113 1.00 0.00 C ATOM 804 O ASP A 131 5.209 12.041 -7.669 1.00 0.00 O ATOM 805 CB ASP A 131 2.266 11.762 -7.869 1.00 0.00 C ATOM 806 CG ASP A 131 2.078 10.860 -6.654 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.886 9.965 -6.476 1.00 0.00 O ATOM 808 OD2 ASP A 131 1.129 11.079 -5.920 1.00 0.00 O ATOM 0 H ASP A 131 2.522 9.240 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 131 3.359 11.781 -9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.595 12.751 -7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.316 11.893 -8.387 1.00 0.00 H new ATOM 813 N GLY A 132 5.118 9.810 -8.029 1.00 0.00 N ATOM 814 CA GLY A 132 6.395 9.533 -7.390 1.00 0.00 C ATOM 815 C GLY A 132 6.440 10.073 -5.957 1.00 0.00 C ATOM 816 O GLY A 132 7.494 10.093 -5.324 1.00 0.00 O ATOM 0 H GLY A 132 4.643 8.986 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.571 8.457 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.199 9.982 -7.973 1.00 0.00 H new ATOM 820 N ASP A 133 5.291 10.522 -5.465 1.00 0.00 N ATOM 821 CA ASP A 133 5.210 11.072 -4.110 1.00 0.00 C ATOM 822 C ASP A 133 5.897 10.145 -3.108 1.00 0.00 C ATOM 823 O ASP A 133 6.319 10.578 -2.036 1.00 0.00 O ATOM 824 CB ASP A 133 3.750 11.270 -3.695 1.00 0.00 C ATOM 825 CG ASP A 133 3.011 9.937 -3.730 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.600 8.966 -4.172 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.865 9.907 -3.308 1.00 0.00 O ATOM 0 H ASP A 133 4.408 10.518 -5.976 1.00 0.00 H new ATOM 0 HA ASP A 133 5.718 12.037 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.703 11.695 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.266 11.981 -4.365 1.00 0.00 H new ATOM 832 N GLY A 134 6.009 8.869 -3.469 1.00 0.00 N ATOM 833 CA GLY A 134 6.652 7.883 -2.597 1.00 0.00 C ATOM 834 C GLY A 134 5.634 7.236 -1.667 1.00 0.00 C ATOM 835 O GLY A 134 5.970 6.360 -0.871 1.00 0.00 O ATOM 0 H GLY A 134 5.666 8.493 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.136 7.117 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.433 8.365 -2.009 1.00 0.00 H new ATOM 839 N GLN A 135 4.384 7.664 -1.790 1.00 0.00 N ATOM 840 CA GLN A 135 3.297 7.123 -0.977 1.00 0.00 C ATOM 841 C GLN A 135 2.131 6.773 -1.876 1.00 0.00 C ATOM 842 O GLN A 135 1.892 7.433 -2.887 1.00 0.00 O ATOM 843 CB GLN A 135 2.836 8.150 0.063 1.00 0.00 C ATOM 844 CG GLN A 135 3.817 8.192 1.226 1.00 0.00 C ATOM 845 CD GLN A 135 3.469 9.339 2.168 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.661 9.170 3.080 1.00 0.00 O ATOM 847 NE2 GLN A 135 4.034 10.504 1.999 1.00 0.00 N ATOM 0 H GLN A 135 4.095 8.388 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 135 3.657 6.234 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.762 9.136 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.841 7.891 0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.791 7.246 1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.833 8.316 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.704 10.641 1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.806 11.277 2.624 1.00 0.00 H new ATOM 856 N ILE A 136 1.395 5.737 -1.500 1.00 0.00 N ATOM 857 CA ILE A 136 0.243 5.320 -2.280 1.00 0.00 C ATOM 858 C ILE A 136 -1.008 5.853 -1.609 1.00 0.00 C ATOM 859 O ILE A 136 -1.326 5.482 -0.477 1.00 0.00 O ATOM 860 CB ILE A 136 0.206 3.776 -2.373 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.098 3.292 -3.524 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.221 3.274 -2.606 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.559 3.587 -3.195 1.00 0.00 C ATOM 0 H ILE A 136 1.574 5.176 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 136 0.304 5.716 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 136 0.573 3.378 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.958 2.222 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.815 3.790 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.218 2.186 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.857 3.589 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.605 3.689 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.193 3.243 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.692 4.660 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.837 3.068 -2.278 1.00 0.00 H new ATOM 875 N ASN A 137 -1.734 6.695 -2.326 1.00 0.00 N ATOM 876 CA ASN A 137 -2.974 7.235 -1.811 1.00 0.00 C ATOM 877 C ASN A 137 -4.053 6.198 -2.071 1.00 0.00 C ATOM 878 O ASN A 137 -3.873 5.323 -2.919 1.00 0.00 O ATOM 879 CB ASN A 137 -3.301 8.570 -2.505 1.00 0.00 C ATOM 880 CG ASN A 137 -2.807 8.560 -3.950 1.00 0.00 C ATOM 881 OD1 ASN A 137 -1.686 8.132 -4.225 1.00 0.00 O ATOM 882 ND2 ASN A 137 -3.576 9.022 -4.895 1.00 0.00 N ATOM 0 H ASN A 137 -1.485 7.016 -3.262 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.902 7.441 -0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.377 8.743 -2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.835 9.392 -1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.249 9.029 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.505 9.377 -4.669 1.00 0.00 H new ATOM 889 N TYR A 138 -5.146 6.251 -1.338 1.00 0.00 N ATOM 890 CA TYR A 138 -6.186 5.251 -1.522 1.00 0.00 C ATOM 891 C TYR A 138 -6.578 5.130 -2.993 1.00 0.00 C ATOM 892 O TYR A 138 -6.583 4.033 -3.545 1.00 0.00 O ATOM 893 CB TYR A 138 -7.414 5.613 -0.688 1.00 0.00 C ATOM 894 CG TYR A 138 -8.526 4.649 -1.022 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.370 3.294 -0.731 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.693 5.102 -1.644 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.379 2.387 -1.053 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.705 4.196 -1.972 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.549 2.837 -1.674 1.00 0.00 C ATOM 900 OH TYR A 138 -11.547 1.941 -1.998 1.00 0.00 O ATOM 0 H TYR A 138 -5.339 6.955 -0.626 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.793 4.290 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.177 5.563 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.725 6.636 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.465 2.946 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.812 6.151 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.257 1.339 -0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.606 4.544 -2.455 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.418 2.385 -1.935 1.00 0.00 H new ATOM 910 N GLU A 139 -6.900 6.248 -3.622 1.00 0.00 N ATOM 911 CA GLU A 139 -7.296 6.223 -5.026 1.00 0.00 C ATOM 912 C GLU A 139 -6.242 5.520 -5.877 1.00 0.00 C ATOM 913 O GLU A 139 -6.572 4.734 -6.763 1.00 0.00 O ATOM 914 CB GLU A 139 -7.506 7.651 -5.528 1.00 0.00 C ATOM 915 CG GLU A 139 -6.219 8.450 -5.329 1.00 0.00 C ATOM 916 CD GLU A 139 -6.476 9.929 -5.594 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.279 10.225 -6.463 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.864 10.745 -4.923 1.00 0.00 O ATOM 0 H GLU A 139 -6.897 7.173 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.230 5.667 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.782 7.641 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.327 8.122 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.850 8.313 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.445 8.081 -6.002 1.00 0.00 H new ATOM 925 N GLU A 140 -4.977 5.811 -5.614 1.00 0.00 N ATOM 926 CA GLU A 140 -3.896 5.197 -6.371 1.00 0.00 C ATOM 927 C GLU A 140 -3.880 3.694 -6.123 1.00 0.00 C ATOM 928 O GLU A 140 -3.676 2.899 -7.042 1.00 0.00 O ATOM 929 CB GLU A 140 -2.569 5.811 -5.939 1.00 0.00 C ATOM 930 CG GLU A 140 -1.452 5.355 -6.875 1.00 0.00 C ATOM 931 CD GLU A 140 -0.188 6.155 -6.586 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.486 5.836 -5.621 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.091 7.076 -7.338 1.00 0.00 O ATOM 0 H GLU A 140 -4.675 6.462 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.048 5.376 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.642 6.899 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.339 5.517 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.261 4.291 -6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.754 5.494 -7.913 1.00 0.00 H new ATOM 940 N PHE A 141 -4.128 3.318 -4.874 1.00 0.00 N ATOM 941 CA PHE A 141 -4.172 1.913 -4.500 1.00 0.00 C ATOM 942 C PHE A 141 -5.304 1.234 -5.246 1.00 0.00 C ATOM 943 O PHE A 141 -5.164 0.122 -5.755 1.00 0.00 O ATOM 944 CB PHE A 141 -4.391 1.772 -2.990 1.00 0.00 C ATOM 945 CG PHE A 141 -4.240 0.322 -2.575 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.029 -0.350 -2.791 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.314 -0.357 -1.976 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.891 -1.686 -2.414 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.173 -1.695 -1.602 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.961 -2.358 -1.823 1.00 0.00 C ATOM 0 H PHE A 141 -4.301 3.966 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.224 1.443 -4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.672 2.389 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.384 2.133 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.200 0.168 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.249 0.156 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.956 -2.200 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.999 -2.218 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.854 -3.393 -1.535 1.00 0.00 H new ATOM 960 N VAL A 142 -6.428 1.932 -5.309 1.00 0.00 N ATOM 961 CA VAL A 142 -7.597 1.427 -5.998 1.00 0.00 C ATOM 962 C VAL A 142 -7.249 1.183 -7.461 1.00 0.00 C ATOM 963 O VAL A 142 -7.616 0.161 -8.037 1.00 0.00 O ATOM 964 CB VAL A 142 -8.740 2.444 -5.868 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.893 2.068 -6.798 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.244 2.462 -4.420 1.00 0.00 C ATOM 0 H VAL A 142 -6.551 2.853 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.920 0.485 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.367 3.430 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.696 2.798 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.541 2.059 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.266 1.078 -6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.056 3.184 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.607 1.471 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.428 2.745 -3.754 1.00 0.00 H new ATOM 976 N LYS A 143 -6.520 2.127 -8.053 1.00 0.00 N ATOM 977 CA LYS A 143 -6.104 2.013 -9.444 1.00 0.00 C ATOM 978 C LYS A 143 -5.209 0.786 -9.653 1.00 0.00 C ATOM 979 O LYS A 143 -5.401 0.026 -10.603 1.00 0.00 O ATOM 980 CB LYS A 143 -5.342 3.284 -9.845 1.00 0.00 C ATOM 981 CG LYS A 143 -5.312 3.428 -11.373 1.00 0.00 C ATOM 982 CD LYS A 143 -4.651 4.761 -11.770 1.00 0.00 C ATOM 983 CE LYS A 143 -5.608 5.938 -11.521 1.00 0.00 C ATOM 984 NZ LYS A 143 -5.107 7.145 -12.240 1.00 0.00 N ATOM 0 H LYS A 143 -6.206 2.979 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.991 1.895 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.819 4.157 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.324 3.244 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -4.762 2.596 -11.813 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.326 3.385 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -3.735 4.903 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -4.367 4.733 -12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -6.610 5.685 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -5.681 6.142 -10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -5.754 7.942 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -4.159 7.389 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -5.059 6.947 -13.260 1.00 0.00 H new ATOM 998 N VAL A 144 -4.234 0.593 -8.762 1.00 0.00 N ATOM 999 CA VAL A 144 -3.325 -0.546 -8.863 1.00 0.00 C ATOM 1000 C VAL A 144 -4.039 -1.869 -8.580 1.00 0.00 C ATOM 1001 O VAL A 144 -3.826 -2.864 -9.274 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.179 -0.369 -7.864 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.289 -1.615 -7.861 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.354 0.857 -8.257 1.00 0.00 C ATOM 0 H VAL A 144 -4.056 1.208 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.942 -0.580 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.589 -0.228 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.476 -1.480 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.881 -2.485 -7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.875 -1.769 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.536 0.988 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -0.947 0.716 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.990 1.742 -8.245 1.00 0.00 H new ATOM 1014 N MET A 145 -4.873 -1.873 -7.545 1.00 0.00 N ATOM 1015 CA MET A 145 -5.600 -3.080 -7.160 1.00 0.00 C ATOM 1016 C MET A 145 -6.718 -3.384 -8.143 1.00 0.00 C ATOM 1017 O MET A 145 -6.934 -4.533 -8.528 1.00 0.00 O ATOM 1018 CB MET A 145 -6.191 -2.904 -5.760 1.00 0.00 C ATOM 1019 CG MET A 145 -6.865 -4.205 -5.295 1.00 0.00 C ATOM 1020 SD MET A 145 -5.624 -5.517 -5.135 1.00 0.00 S ATOM 1021 CE MET A 145 -4.672 -4.790 -3.777 1.00 0.00 C ATOM 0 H MET A 145 -5.062 -1.059 -6.960 1.00 0.00 H new ATOM 0 HA MET A 145 -4.898 -3.914 -7.165 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.405 -2.624 -5.059 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.918 -2.092 -5.765 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.364 -4.045 -4.339 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.633 -4.503 -6.009 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.088 -5.568 -3.285 1.00 0.00 H new ATOM 0 HE2 MET A 145 -4.001 -4.027 -4.171 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.353 -4.337 -3.057 1.00 0.00 H new ATOM 1031 N MET A 146 -7.433 -2.344 -8.539 1.00 0.00 N ATOM 1032 CA MET A 146 -8.540 -2.508 -9.476 1.00 0.00 C ATOM 1033 C MET A 146 -8.026 -2.969 -10.837 1.00 0.00 C ATOM 1034 O MET A 146 -8.612 -3.850 -11.465 1.00 0.00 O ATOM 1035 CB MET A 146 -9.305 -1.186 -9.630 1.00 0.00 C ATOM 1036 CG MET A 146 -10.515 -1.375 -10.556 1.00 0.00 C ATOM 1037 SD MET A 146 -11.684 -2.539 -9.799 1.00 0.00 S ATOM 1038 CE MET A 146 -12.984 -1.351 -9.370 1.00 0.00 C ATOM 0 H MET A 146 -7.272 -1.385 -8.232 1.00 0.00 H new ATOM 0 HA MET A 146 -9.215 -3.267 -9.080 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.637 -0.834 -8.653 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.644 -0.421 -10.036 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.003 -0.417 -10.733 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.189 -1.751 -11.526 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.809 -1.873 -8.886 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.581 -0.600 -8.690 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.345 -0.864 -10.276 1.00 0.00 H new