USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl 179:sc=-0.000381 (180deg=0) USER MOD Set 1.2: A 72 MET CE :methyl -132:sc= -3.5 (180deg=-4.32!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.74 K(o=-2.7,f=-4.6) USER MOD Set 2.2: A 53 ASN : amide:sc= -1.91 K(o=-2.7,f=-4.4!) USER MOD Set 3.1: A 28 SER OG : rot -79:sc= 0.248 USER MOD Set 3.2: A 60 ASN : amide:sc= -0.0735 X(o=0.17,f=-0.26) USER MOD Single : A 5 THR OG1 : rot 27:sc= 0.847 USER MOD Single : A 8 GLN : amide:sc= -0.712 K(o=-0.71,f=-0.017) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -1.16 (180deg=-2.63!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.838 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -170:sc= -1.35 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 170:sc= -0.0302 (180deg=-0.206) USER MOD Single : A 61 HIS : no HE2:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 62 GLN : amide:sc= -5.13! K(o=-5.1!,f=-1.6) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -9.855 -8.067 -15.056 1.00 0.00 N ATOM 59 CA THR A 5 -10.897 -9.127 -14.927 1.00 0.00 C ATOM 60 C THR A 5 -10.907 -9.691 -13.504 1.00 0.00 C ATOM 61 O THR A 5 -10.246 -9.183 -12.620 1.00 0.00 O ATOM 62 CB THR A 5 -10.487 -10.208 -15.929 1.00 0.00 C ATOM 63 OG1 THR A 5 -9.663 -9.631 -16.933 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.736 -10.809 -16.575 1.00 0.00 C ATOM 0 HA THR A 5 -11.899 -8.746 -15.124 1.00 0.00 H new ATOM 0 HB THR A 5 -9.936 -10.993 -15.412 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.201 -8.848 -16.567 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.442 -11.579 -17.288 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.368 -11.251 -15.804 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.290 -10.026 -17.093 1.00 0.00 H new ATOM 72 N GLU A 6 -11.655 -10.737 -13.277 1.00 0.00 N ATOM 73 CA GLU A 6 -11.708 -11.332 -11.911 1.00 0.00 C ATOM 74 C GLU A 6 -10.306 -11.745 -11.457 1.00 0.00 C ATOM 75 O GLU A 6 -9.724 -11.140 -10.578 1.00 0.00 O ATOM 76 CB GLU A 6 -12.610 -12.560 -12.049 1.00 0.00 C ATOM 77 CG GLU A 6 -14.024 -12.116 -12.430 1.00 0.00 C ATOM 78 CD GLU A 6 -14.845 -11.888 -11.159 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.663 -10.855 -10.536 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.644 -12.750 -10.831 1.00 0.00 O ATOM 0 H GLU A 6 -12.231 -11.204 -13.977 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.086 -10.628 -11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.212 -13.233 -12.808 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.632 -13.115 -11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.983 -11.200 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.500 -12.874 -13.052 1.00 0.00 H new ATOM 87 N GLU A 7 -9.757 -12.770 -12.049 1.00 0.00 N ATOM 88 CA GLU A 7 -8.391 -13.218 -11.650 1.00 0.00 C ATOM 89 C GLU A 7 -7.468 -12.009 -11.483 1.00 0.00 C ATOM 90 O GLU A 7 -6.722 -11.914 -10.527 1.00 0.00 O ATOM 91 CB GLU A 7 -7.912 -14.105 -12.800 1.00 0.00 C ATOM 92 CG GLU A 7 -7.895 -15.565 -12.344 1.00 0.00 C ATOM 93 CD GLU A 7 -8.900 -16.370 -13.170 1.00 0.00 C ATOM 94 OE1 GLU A 7 -8.676 -16.517 -14.360 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.877 -16.825 -12.598 1.00 0.00 O ATOM 0 H GLU A 7 -10.194 -13.317 -12.791 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.392 -13.751 -10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.570 -13.989 -13.661 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.915 -13.800 -13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.895 -15.982 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.145 -15.629 -11.285 1.00 0.00 H new ATOM 102 N GLN A 8 -7.511 -11.084 -12.402 1.00 0.00 N ATOM 103 CA GLN A 8 -6.636 -9.883 -12.290 1.00 0.00 C ATOM 104 C GLN A 8 -6.758 -9.273 -10.893 1.00 0.00 C ATOM 105 O GLN A 8 -5.810 -9.240 -10.133 1.00 0.00 O ATOM 106 CB GLN A 8 -7.158 -8.911 -13.348 1.00 0.00 C ATOM 107 CG GLN A 8 -5.982 -8.173 -13.990 1.00 0.00 C ATOM 108 CD GLN A 8 -5.339 -9.066 -15.054 1.00 0.00 C ATOM 109 OE1 GLN A 8 -5.662 -8.969 -16.221 1.00 0.00 O ATOM 110 NE2 GLN A 8 -4.434 -9.936 -14.698 1.00 0.00 N ATOM 0 H GLN A 8 -8.113 -11.108 -13.225 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.583 -10.122 -12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.720 -9.453 -14.109 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.844 -8.197 -12.893 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.325 -7.242 -14.441 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.247 -7.907 -13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.163 -10.018 -13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.998 -10.534 -15.400 1.00 0.00 H new ATOM 119 N ILE A 9 -7.921 -8.792 -10.544 1.00 0.00 N ATOM 120 CA ILE A 9 -8.102 -8.189 -9.193 1.00 0.00 C ATOM 121 C ILE A 9 -7.548 -9.132 -8.122 1.00 0.00 C ATOM 122 O ILE A 9 -6.933 -8.707 -7.165 1.00 0.00 O ATOM 123 CB ILE A 9 -9.613 -8.024 -9.032 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.133 -7.043 -10.086 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.921 -7.480 -7.636 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.651 -6.907 -9.952 1.00 0.00 C ATOM 0 H ILE A 9 -8.752 -8.791 -11.135 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.577 -7.240 -9.088 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.100 -8.991 -9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.658 -6.070 -9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.876 -7.396 -11.085 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.998 -7.362 -7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.550 -8.176 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.435 -6.513 -7.507 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.021 -6.209 -10.702 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.118 -7.881 -10.101 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.897 -6.535 -8.957 1.00 0.00 H new ATOM 138 N ALA A 10 -7.760 -10.409 -8.280 1.00 0.00 N ATOM 139 CA ALA A 10 -7.245 -11.381 -7.274 1.00 0.00 C ATOM 140 C ALA A 10 -5.716 -11.333 -7.231 1.00 0.00 C ATOM 141 O ALA A 10 -5.117 -11.239 -6.178 1.00 0.00 O ATOM 142 CB ALA A 10 -7.726 -12.748 -7.763 1.00 0.00 C ATOM 0 H ALA A 10 -8.268 -10.822 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.599 -11.162 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.387 -13.521 -7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.815 -12.755 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.320 -12.943 -8.755 1.00 0.00 H new ATOM 148 N GLU A 11 -5.080 -11.393 -8.369 1.00 0.00 N ATOM 149 CA GLU A 11 -3.589 -11.349 -8.392 1.00 0.00 C ATOM 150 C GLU A 11 -3.089 -10.078 -7.702 1.00 0.00 C ATOM 151 O GLU A 11 -2.047 -10.068 -7.078 1.00 0.00 O ATOM 152 CB GLU A 11 -3.217 -11.336 -9.876 1.00 0.00 C ATOM 153 CG GLU A 11 -3.044 -12.772 -10.372 1.00 0.00 C ATOM 154 CD GLU A 11 -1.557 -13.076 -10.551 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.868 -12.248 -11.123 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.130 -14.132 -10.112 1.00 0.00 O ATOM 0 H GLU A 11 -5.527 -11.470 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.141 -12.193 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.993 -10.832 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.295 -10.775 -10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.485 -13.469 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.570 -12.907 -11.317 1.00 0.00 H new ATOM 163 N PHE A 12 -3.826 -9.005 -7.807 1.00 0.00 N ATOM 164 CA PHE A 12 -3.392 -7.738 -7.154 1.00 0.00 C ATOM 165 C PHE A 12 -3.407 -7.901 -5.632 1.00 0.00 C ATOM 166 O PHE A 12 -2.476 -7.523 -4.949 1.00 0.00 O ATOM 167 CB PHE A 12 -4.420 -6.693 -7.593 1.00 0.00 C ATOM 168 CG PHE A 12 -4.079 -6.201 -8.979 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.910 -7.116 -10.026 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.936 -4.829 -9.219 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.597 -6.658 -11.311 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.623 -4.373 -10.505 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.454 -5.287 -11.551 1.00 0.00 C ATOM 0 H PHE A 12 -4.708 -8.952 -8.316 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.378 -7.453 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.420 -7.126 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.428 -5.859 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.021 -8.174 -9.842 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.067 -4.123 -8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.466 -7.364 -12.118 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.512 -3.315 -10.690 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.213 -4.934 -12.543 1.00 0.00 H new ATOM 183 N LYS A 13 -4.456 -8.462 -5.096 1.00 0.00 N ATOM 184 CA LYS A 13 -4.526 -8.651 -3.618 1.00 0.00 C ATOM 185 C LYS A 13 -3.317 -9.455 -3.136 1.00 0.00 C ATOM 186 O LYS A 13 -2.586 -9.033 -2.262 1.00 0.00 O ATOM 187 CB LYS A 13 -5.820 -9.428 -3.377 1.00 0.00 C ATOM 188 CG LYS A 13 -6.078 -9.539 -1.874 1.00 0.00 C ATOM 189 CD LYS A 13 -7.448 -8.943 -1.545 1.00 0.00 C ATOM 190 CE LYS A 13 -7.315 -7.975 -0.367 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.015 -8.646 0.763 1.00 0.00 N ATOM 0 H LYS A 13 -5.267 -8.797 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.516 -7.705 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.655 -8.924 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.747 -10.422 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.040 -10.583 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.299 -9.014 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.848 -8.421 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.152 -9.738 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.269 -7.787 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.768 -7.010 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.967 -8.043 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.011 -8.807 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.557 -9.558 0.962 1.00 0.00 H new ATOM 205 N GLU A 14 -3.098 -10.611 -3.702 1.00 0.00 N ATOM 206 CA GLU A 14 -1.933 -11.438 -3.277 1.00 0.00 C ATOM 207 C GLU A 14 -0.660 -10.590 -3.290 1.00 0.00 C ATOM 208 O GLU A 14 0.176 -10.691 -2.414 1.00 0.00 O ATOM 209 CB GLU A 14 -1.844 -12.560 -4.312 1.00 0.00 C ATOM 210 CG GLU A 14 -2.041 -13.910 -3.622 1.00 0.00 C ATOM 211 CD GLU A 14 -1.925 -15.034 -4.654 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.768 -15.094 -5.532 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.994 -15.815 -4.547 1.00 0.00 O ATOM 0 H GLU A 14 -3.674 -11.018 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.046 -11.829 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.603 -12.419 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.875 -12.533 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.294 -14.042 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.018 -13.944 -3.140 1.00 0.00 H new ATOM 220 N ALA A 15 -0.509 -9.750 -4.278 1.00 0.00 N ATOM 221 CA ALA A 15 0.708 -8.890 -4.348 1.00 0.00 C ATOM 222 C ALA A 15 0.677 -7.846 -3.229 1.00 0.00 C ATOM 223 O ALA A 15 1.436 -7.912 -2.284 1.00 0.00 O ATOM 224 CB ALA A 15 0.635 -8.213 -5.717 1.00 0.00 C ATOM 0 H ALA A 15 -1.175 -9.622 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 15 1.628 -9.461 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.498 -7.560 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.633 -8.972 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.279 -7.623 -5.783 1.00 0.00 H new ATOM 230 N PHE A 16 -0.198 -6.883 -3.331 1.00 0.00 N ATOM 231 CA PHE A 16 -0.285 -5.833 -2.276 1.00 0.00 C ATOM 232 C PHE A 16 -0.152 -6.461 -0.884 1.00 0.00 C ATOM 233 O PHE A 16 0.625 -6.018 -0.063 1.00 0.00 O ATOM 234 CB PHE A 16 -1.669 -5.213 -2.454 1.00 0.00 C ATOM 235 CG PHE A 16 -1.843 -4.071 -1.482 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.410 -2.785 -1.828 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.438 -4.298 -0.235 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.572 -1.726 -0.926 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.600 -3.239 0.666 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.168 -1.953 0.321 1.00 0.00 C ATOM 0 H PHE A 16 -0.858 -6.778 -4.101 1.00 0.00 H new ATOM 0 HA PHE A 16 0.511 -5.093 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.789 -4.855 -3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.440 -5.966 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.951 -2.610 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.772 -5.290 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.237 -0.734 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.059 -3.414 1.628 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.294 -1.136 1.016 1.00 0.00 H new ATOM 250 N ALA A 17 -0.908 -7.491 -0.615 1.00 0.00 N ATOM 251 CA ALA A 17 -0.829 -8.145 0.723 1.00 0.00 C ATOM 252 C ALA A 17 0.525 -8.840 0.899 1.00 0.00 C ATOM 253 O ALA A 17 1.032 -8.962 1.996 1.00 0.00 O ATOM 254 CB ALA A 17 -1.963 -9.170 0.729 1.00 0.00 C ATOM 0 H ALA A 17 -1.576 -7.908 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.922 -7.427 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.973 -9.696 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.915 -8.660 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.810 -9.886 -0.078 1.00 0.00 H new ATOM 260 N LEU A 18 1.112 -9.298 -0.172 1.00 0.00 N ATOM 261 CA LEU A 18 2.431 -9.987 -0.059 1.00 0.00 C ATOM 262 C LEU A 18 3.426 -9.108 0.705 1.00 0.00 C ATOM 263 O LEU A 18 4.409 -9.587 1.236 1.00 0.00 O ATOM 264 CB LEU A 18 2.897 -10.196 -1.501 1.00 0.00 C ATOM 265 CG LEU A 18 3.229 -11.672 -1.720 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.169 -11.993 -3.215 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.637 -11.960 -1.195 1.00 0.00 C ATOM 0 H LEU A 18 0.738 -9.226 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 18 2.357 -10.929 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.118 -9.880 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.774 -9.581 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 18 2.507 -12.290 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.406 -13.045 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.167 -11.787 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.891 -11.376 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.875 -13.012 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.358 -11.342 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.682 -11.731 -0.130 1.00 0.00 H new ATOM 279 N PHE A 19 3.179 -7.829 0.768 1.00 0.00 N ATOM 280 CA PHE A 19 4.113 -6.925 1.501 1.00 0.00 C ATOM 281 C PHE A 19 3.367 -6.183 2.613 1.00 0.00 C ATOM 282 O PHE A 19 3.801 -5.150 3.082 1.00 0.00 O ATOM 283 CB PHE A 19 4.624 -5.940 0.448 1.00 0.00 C ATOM 284 CG PHE A 19 5.012 -6.692 -0.803 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.038 -7.009 -1.756 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.343 -7.072 -1.009 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.394 -7.707 -2.917 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.700 -7.770 -2.169 1.00 0.00 C ATOM 289 CZ PHE A 19 5.726 -8.087 -3.123 1.00 0.00 C ATOM 0 H PHE A 19 2.372 -7.370 0.345 1.00 0.00 H new ATOM 0 HA PHE A 19 4.928 -7.472 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.853 -5.205 0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.482 -5.391 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.011 -6.715 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.095 -6.827 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.642 -7.952 -3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.727 -8.064 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.002 -8.625 -4.018 1.00 0.00 H new ATOM 299 N ASP A 20 2.247 -6.701 3.037 1.00 0.00 N ATOM 300 CA ASP A 20 1.474 -6.025 4.119 1.00 0.00 C ATOM 301 C ASP A 20 2.123 -6.291 5.479 1.00 0.00 C ATOM 302 O ASP A 20 1.858 -7.290 6.118 1.00 0.00 O ATOM 303 CB ASP A 20 0.079 -6.646 4.058 1.00 0.00 C ATOM 304 CG ASP A 20 0.183 -8.155 4.287 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.295 -8.656 4.310 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.851 -8.786 4.436 1.00 0.00 O ATOM 0 H ASP A 20 1.833 -7.563 2.682 1.00 0.00 H new ATOM 0 HA ASP A 20 1.443 -4.943 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.565 -6.196 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.378 -6.445 3.089 1.00 0.00 H new ATOM 311 N LYS A 21 2.972 -5.406 5.926 1.00 0.00 N ATOM 312 CA LYS A 21 3.636 -5.610 7.246 1.00 0.00 C ATOM 313 C LYS A 21 2.589 -5.847 8.337 1.00 0.00 C ATOM 314 O LYS A 21 2.724 -6.729 9.159 1.00 0.00 O ATOM 315 CB LYS A 21 4.399 -4.314 7.509 1.00 0.00 C ATOM 316 CG LYS A 21 3.432 -3.130 7.457 1.00 0.00 C ATOM 317 CD LYS A 21 4.225 -1.828 7.313 1.00 0.00 C ATOM 318 CE LYS A 21 4.409 -1.189 8.692 1.00 0.00 C ATOM 319 NZ LYS A 21 5.126 -2.214 9.499 1.00 0.00 N ATOM 0 H LYS A 21 3.235 -4.551 5.435 1.00 0.00 H new ATOM 0 HA LYS A 21 4.294 -6.479 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.885 -4.357 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.186 -4.186 6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.745 -3.244 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.827 -3.101 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.196 -2.029 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.700 -1.141 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.984 -0.266 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.449 -0.935 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.583 -1.757 10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.448 -2.927 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.849 -2.676 8.911 1.00 0.00 H new ATOM 333 N ASP A 22 1.544 -5.064 8.348 1.00 0.00 N ATOM 334 CA ASP A 22 0.489 -5.247 9.384 1.00 0.00 C ATOM 335 C ASP A 22 -0.263 -6.559 9.143 1.00 0.00 C ATOM 336 O ASP A 22 -1.099 -6.960 9.928 1.00 0.00 O ATOM 337 CB ASP A 22 -0.448 -4.051 9.213 1.00 0.00 C ATOM 338 CG ASP A 22 0.130 -2.840 9.946 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.904 -2.118 9.338 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.211 -2.655 11.103 1.00 0.00 O ATOM 0 H ASP A 22 1.376 -4.307 7.685 1.00 0.00 H new ATOM 0 HA ASP A 22 0.902 -5.297 10.391 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.574 -3.823 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.436 -4.290 9.607 1.00 0.00 H new ATOM 345 N ASN A 23 0.028 -7.229 8.061 1.00 0.00 N ATOM 346 CA ASN A 23 -0.669 -8.514 7.770 1.00 0.00 C ATOM 347 C ASN A 23 -2.181 -8.288 7.681 1.00 0.00 C ATOM 348 O ASN A 23 -2.966 -9.196 7.869 1.00 0.00 O ATOM 349 CB ASN A 23 -0.331 -9.425 8.951 1.00 0.00 C ATOM 350 CG ASN A 23 0.789 -10.385 8.551 1.00 0.00 C ATOM 351 OD1 ASN A 23 1.919 -9.977 8.364 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.523 -11.655 8.410 1.00 0.00 N ATOM 0 H ASN A 23 0.718 -6.942 7.367 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.357 -8.947 6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.023 -8.827 9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.214 -9.987 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.263 -12.304 8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.425 -11.998 8.567 1.00 0.00 H new ATOM 359 N ASN A 24 -2.594 -7.084 7.396 1.00 0.00 N ATOM 360 CA ASN A 24 -4.056 -6.802 7.296 1.00 0.00 C ATOM 361 C ASN A 24 -4.434 -6.486 5.846 1.00 0.00 C ATOM 362 O ASN A 24 -4.776 -7.364 5.078 1.00 0.00 O ATOM 363 CB ASN A 24 -4.286 -5.582 8.188 1.00 0.00 C ATOM 364 CG ASN A 24 -4.149 -5.990 9.656 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.304 -7.146 9.995 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.862 -5.082 10.549 1.00 0.00 N ATOM 0 H ASN A 24 -1.984 -6.284 7.228 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.664 -7.653 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.564 -4.801 7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.277 -5.167 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.768 -5.344 11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.732 -4.111 10.265 1.00 0.00 H new ATOM 373 N GLY A 25 -4.374 -5.239 5.465 1.00 0.00 N ATOM 374 CA GLY A 25 -4.730 -4.870 4.066 1.00 0.00 C ATOM 375 C GLY A 25 -4.107 -3.517 3.721 1.00 0.00 C ATOM 376 O GLY A 25 -4.613 -2.780 2.898 1.00 0.00 O ATOM 0 H GLY A 25 -4.094 -4.461 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.373 -5.634 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.813 -4.822 3.956 1.00 0.00 H new ATOM 380 N SER A 26 -3.011 -3.182 4.346 1.00 0.00 N ATOM 381 CA SER A 26 -2.355 -1.875 4.054 1.00 0.00 C ATOM 382 C SER A 26 -0.844 -2.065 3.898 1.00 0.00 C ATOM 383 O SER A 26 -0.262 -2.974 4.457 1.00 0.00 O ATOM 384 CB SER A 26 -2.663 -0.998 5.266 1.00 0.00 C ATOM 385 OG SER A 26 -2.444 -1.746 6.455 1.00 0.00 O ATOM 0 H SER A 26 -2.541 -3.756 5.046 1.00 0.00 H new ATOM 0 HA SER A 26 -2.716 -1.430 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.029 -0.111 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.696 -0.652 5.226 1.00 0.00 H new ATOM 0 HG SER A 26 -2.639 -1.185 7.235 1.00 0.00 H new ATOM 391 N ILE A 27 -0.204 -1.216 3.142 1.00 0.00 N ATOM 392 CA ILE A 27 1.269 -1.349 2.950 1.00 0.00 C ATOM 393 C ILE A 27 1.914 0.033 2.821 1.00 0.00 C ATOM 394 O ILE A 27 1.289 0.981 2.390 1.00 0.00 O ATOM 395 CB ILE A 27 1.428 -2.138 1.649 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.088 -1.234 0.461 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.481 -3.340 1.662 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.284 -2.008 -0.844 1.00 0.00 C ATOM 0 H ILE A 27 -0.637 -0.435 2.648 1.00 0.00 H new ATOM 0 HA ILE A 27 1.752 -1.846 3.791 1.00 0.00 H new ATOM 0 HB ILE A 27 2.457 -2.487 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.058 -0.886 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.725 -0.349 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.594 -3.902 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.721 -3.983 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.548 -2.992 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.042 -1.364 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.321 -2.334 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.629 -2.879 -0.852 1.00 0.00 H new ATOM 410 N SER A 28 3.160 0.154 3.186 1.00 0.00 N ATOM 411 CA SER A 28 3.841 1.475 3.077 1.00 0.00 C ATOM 412 C SER A 28 4.147 1.785 1.609 1.00 0.00 C ATOM 413 O SER A 28 4.335 0.895 0.804 1.00 0.00 O ATOM 414 CB SER A 28 5.135 1.322 3.874 1.00 0.00 C ATOM 415 OG SER A 28 5.265 2.415 4.772 1.00 0.00 O ATOM 0 H SER A 28 3.736 -0.603 3.554 1.00 0.00 H new ATOM 0 HA SER A 28 3.227 2.292 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.127 0.382 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.990 1.288 3.199 1.00 0.00 H new ATOM 0 HG SER A 28 5.592 3.201 4.286 1.00 0.00 H new ATOM 421 N SER A 29 4.194 3.039 1.253 1.00 0.00 N ATOM 422 CA SER A 29 4.486 3.397 -0.165 1.00 0.00 C ATOM 423 C SER A 29 5.643 2.546 -0.698 1.00 0.00 C ATOM 424 O SER A 29 5.509 1.849 -1.684 1.00 0.00 O ATOM 425 CB SER A 29 4.878 4.873 -0.130 1.00 0.00 C ATOM 426 OG SER A 29 6.293 4.986 -0.209 1.00 0.00 O ATOM 0 H SER A 29 4.043 3.830 1.880 1.00 0.00 H new ATOM 0 HA SER A 29 3.633 3.219 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.412 5.404 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.516 5.336 0.788 1.00 0.00 H new ATOM 0 HG SER A 29 6.547 5.932 -0.188 1.00 0.00 H new ATOM 432 N SER A 30 6.775 2.595 -0.052 1.00 0.00 N ATOM 433 CA SER A 30 7.937 1.788 -0.522 1.00 0.00 C ATOM 434 C SER A 30 7.476 0.381 -0.910 1.00 0.00 C ATOM 435 O SER A 30 8.033 -0.247 -1.788 1.00 0.00 O ATOM 436 CB SER A 30 8.889 1.731 0.671 1.00 0.00 C ATOM 437 OG SER A 30 10.086 2.427 0.350 1.00 0.00 O ATOM 0 H SER A 30 6.946 3.159 0.781 1.00 0.00 H new ATOM 0 HA SER A 30 8.414 2.221 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.419 2.177 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.114 0.694 0.923 1.00 0.00 H new ATOM 0 HG SER A 30 10.699 2.394 1.114 1.00 0.00 H new ATOM 443 N GLU A 31 6.460 -0.119 -0.261 1.00 0.00 N ATOM 444 CA GLU A 31 5.962 -1.485 -0.592 1.00 0.00 C ATOM 445 C GLU A 31 5.096 -1.440 -1.854 1.00 0.00 C ATOM 446 O GLU A 31 5.106 -2.352 -2.658 1.00 0.00 O ATOM 447 CB GLU A 31 5.126 -1.906 0.618 1.00 0.00 C ATOM 448 CG GLU A 31 5.924 -1.660 1.900 1.00 0.00 C ATOM 449 CD GLU A 31 5.740 -2.844 2.851 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.677 -2.945 3.441 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.665 -3.629 2.973 1.00 0.00 O ATOM 0 H GLU A 31 5.953 0.359 0.484 1.00 0.00 H new ATOM 0 HA GLU A 31 6.774 -2.185 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.194 -1.342 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.859 -2.960 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.980 -1.530 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.589 -0.740 2.379 1.00 0.00 H new ATOM 458 N LEU A 32 4.348 -0.387 -2.035 1.00 0.00 N ATOM 459 CA LEU A 32 3.484 -0.287 -3.247 1.00 0.00 C ATOM 460 C LEU A 32 4.338 -0.414 -4.512 1.00 0.00 C ATOM 461 O LEU A 32 3.956 -1.058 -5.468 1.00 0.00 O ATOM 462 CB LEU A 32 2.843 1.099 -3.168 1.00 0.00 C ATOM 463 CG LEU A 32 2.110 1.397 -4.477 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.069 0.306 -4.737 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.411 2.753 -4.371 1.00 0.00 C ATOM 0 H LEU A 32 4.297 0.408 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 32 2.734 -1.077 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.146 1.142 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.607 1.855 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 32 2.826 1.420 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.546 0.517 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.566 -0.661 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.352 0.284 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.888 2.967 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.694 2.730 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.152 3.531 -4.184 1.00 0.00 H new ATOM 477 N ALA A 33 5.493 0.192 -4.523 1.00 0.00 N ATOM 478 CA ALA A 33 6.368 0.098 -5.726 1.00 0.00 C ATOM 479 C ALA A 33 6.633 -1.372 -6.058 1.00 0.00 C ATOM 480 O ALA A 33 6.591 -1.777 -7.204 1.00 0.00 O ATOM 481 CB ALA A 33 7.666 0.803 -5.332 1.00 0.00 C ATOM 0 H ALA A 33 5.868 0.747 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 33 5.915 0.552 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.364 0.775 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.452 1.840 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.109 0.297 -4.474 1.00 0.00 H new ATOM 487 N THR A 34 6.899 -2.175 -5.065 1.00 0.00 N ATOM 488 CA THR A 34 7.157 -3.619 -5.328 1.00 0.00 C ATOM 489 C THR A 34 5.907 -4.267 -5.925 1.00 0.00 C ATOM 490 O THR A 34 5.894 -4.677 -7.068 1.00 0.00 O ATOM 491 CB THR A 34 7.476 -4.226 -3.962 1.00 0.00 C ATOM 492 OG1 THR A 34 8.727 -3.731 -3.506 1.00 0.00 O ATOM 493 CG2 THR A 34 7.540 -5.748 -4.088 1.00 0.00 C ATOM 0 H THR A 34 6.949 -1.895 -4.085 1.00 0.00 H new ATOM 0 HA THR A 34 7.971 -3.773 -6.036 1.00 0.00 H new ATOM 0 HB THR A 34 6.698 -3.954 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.932 -4.118 -2.629 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.767 -6.184 -3.115 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.579 -6.125 -4.439 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.319 -6.022 -4.800 1.00 0.00 H new ATOM 501 N VAL A 35 4.849 -4.354 -5.162 1.00 0.00 N ATOM 502 CA VAL A 35 3.600 -4.967 -5.696 1.00 0.00 C ATOM 503 C VAL A 35 3.332 -4.433 -7.106 1.00 0.00 C ATOM 504 O VAL A 35 2.810 -5.124 -7.959 1.00 0.00 O ATOM 505 CB VAL A 35 2.494 -4.520 -4.737 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.779 -5.068 -3.338 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.451 -2.992 -4.682 1.00 0.00 C ATOM 0 H VAL A 35 4.797 -4.028 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 35 3.661 -6.053 -5.762 1.00 0.00 H new ATOM 0 HB VAL A 35 1.535 -4.899 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.991 -4.750 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.810 -6.157 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.739 -4.689 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.663 -2.675 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.411 -2.613 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.248 -2.598 -5.678 1.00 0.00 H new ATOM 517 N MET A 36 3.692 -3.202 -7.350 1.00 0.00 N ATOM 518 CA MET A 36 3.467 -2.603 -8.696 1.00 0.00 C ATOM 519 C MET A 36 4.209 -3.406 -9.770 1.00 0.00 C ATOM 520 O MET A 36 3.609 -3.949 -10.676 1.00 0.00 O ATOM 521 CB MET A 36 4.035 -1.186 -8.591 1.00 0.00 C ATOM 522 CG MET A 36 3.281 -0.261 -9.549 1.00 0.00 C ATOM 523 SD MET A 36 1.768 0.330 -8.750 1.00 0.00 S ATOM 524 CE MET A 36 2.314 2.031 -8.458 1.00 0.00 C ATOM 0 H MET A 36 4.135 -2.583 -6.671 1.00 0.00 H new ATOM 0 HA MET A 36 2.414 -2.603 -8.979 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.943 -0.821 -7.568 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.098 -1.190 -8.833 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.911 0.583 -9.828 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.036 -0.793 -10.468 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.512 2.593 -7.979 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.191 2.026 -7.810 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.568 2.500 -9.409 1.00 0.00 H new ATOM 534 N ARG A 37 5.508 -3.485 -9.677 1.00 0.00 N ATOM 535 CA ARG A 37 6.283 -4.252 -10.696 1.00 0.00 C ATOM 536 C ARG A 37 6.032 -5.755 -10.533 1.00 0.00 C ATOM 537 O ARG A 37 6.291 -6.536 -11.427 1.00 0.00 O ATOM 538 CB ARG A 37 7.748 -3.920 -10.412 1.00 0.00 C ATOM 539 CG ARG A 37 8.627 -4.493 -11.525 1.00 0.00 C ATOM 540 CD ARG A 37 9.394 -3.356 -12.207 1.00 0.00 C ATOM 541 NE ARG A 37 10.760 -3.406 -11.617 1.00 0.00 N ATOM 542 CZ ARG A 37 11.570 -2.394 -11.763 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.203 -2.222 -12.891 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.749 -1.554 -10.780 1.00 0.00 N ATOM 0 H ARG A 37 6.067 -3.053 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 37 5.995 -3.991 -11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.881 -2.840 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.046 -4.335 -9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.326 -5.221 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.011 -5.019 -12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.425 -3.494 -13.288 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.919 -2.393 -12.022 1.00 0.00 H new ATOM 0 HE ARG A 37 11.062 -4.231 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.064 -2.879 -13.659 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.836 -1.431 -13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.255 -1.689 -9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.382 -0.763 -10.894 1.00 0.00 H new ATOM 558 N SER A 38 5.533 -6.166 -9.399 1.00 0.00 N ATOM 559 CA SER A 38 5.271 -7.617 -9.181 1.00 0.00 C ATOM 560 C SER A 38 4.110 -8.088 -10.060 1.00 0.00 C ATOM 561 O SER A 38 4.087 -9.211 -10.523 1.00 0.00 O ATOM 562 CB SER A 38 4.906 -7.735 -7.702 1.00 0.00 C ATOM 563 OG SER A 38 6.066 -8.088 -6.959 1.00 0.00 O ATOM 0 H SER A 38 5.295 -5.560 -8.614 1.00 0.00 H new ATOM 0 HA SER A 38 6.132 -8.234 -9.440 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.501 -6.790 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.130 -8.488 -7.566 1.00 0.00 H new ATOM 0 HG SER A 38 5.836 -8.163 -6.009 1.00 0.00 H new ATOM 569 N LEU A 39 3.146 -7.241 -10.292 1.00 0.00 N ATOM 570 CA LEU A 39 1.990 -7.650 -11.141 1.00 0.00 C ATOM 571 C LEU A 39 2.465 -7.966 -12.562 1.00 0.00 C ATOM 572 O LEU A 39 1.875 -8.768 -13.260 1.00 0.00 O ATOM 573 CB LEU A 39 1.044 -6.446 -11.145 1.00 0.00 C ATOM 574 CG LEU A 39 0.222 -6.427 -9.853 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.866 -5.358 -9.956 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.433 -7.794 -9.639 1.00 0.00 C ATOM 0 H LEU A 39 3.107 -6.287 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 39 1.499 -8.546 -10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.616 -5.523 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.380 -6.496 -12.008 1.00 0.00 H new ATOM 0 HG LEU A 39 0.879 -6.202 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.451 -5.345 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.404 -4.382 -10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.520 -5.584 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.017 -7.777 -8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.088 -8.019 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.339 -8.560 -9.565 1.00 0.00 H new ATOM 588 N GLY A 40 3.528 -7.345 -12.997 1.00 0.00 N ATOM 589 CA GLY A 40 4.036 -7.616 -14.371 1.00 0.00 C ATOM 590 C GLY A 40 4.278 -6.295 -15.103 1.00 0.00 C ATOM 591 O GLY A 40 4.093 -6.197 -16.300 1.00 0.00 O ATOM 0 H GLY A 40 4.065 -6.663 -12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.962 -8.189 -14.320 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.316 -8.221 -14.922 1.00 0.00 H new ATOM 595 N LEU A 41 4.692 -5.279 -14.397 1.00 0.00 N ATOM 596 CA LEU A 41 4.946 -3.967 -15.060 1.00 0.00 C ATOM 597 C LEU A 41 6.271 -3.376 -14.572 1.00 0.00 C ATOM 598 O LEU A 41 6.951 -3.951 -13.746 1.00 0.00 O ATOM 599 CB LEU A 41 3.774 -3.078 -14.644 1.00 0.00 C ATOM 600 CG LEU A 41 3.538 -3.215 -13.139 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.384 -1.826 -12.518 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.263 -4.026 -12.896 1.00 0.00 C ATOM 0 H LEU A 41 4.865 -5.299 -13.392 1.00 0.00 H new ATOM 0 HA LEU A 41 5.021 -4.059 -16.144 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.985 -2.039 -14.897 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.875 -3.363 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 41 4.387 -3.725 -12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.216 -1.924 -11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.291 -1.247 -12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.535 -1.316 -12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.093 -4.125 -11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.415 -3.516 -13.352 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.372 -5.016 -13.339 1.00 0.00 H new ATOM 614 N SER A 42 6.643 -2.232 -15.077 1.00 0.00 N ATOM 615 CA SER A 42 7.925 -1.608 -14.641 1.00 0.00 C ATOM 616 C SER A 42 7.993 -0.152 -15.111 1.00 0.00 C ATOM 617 O SER A 42 8.531 0.137 -16.163 1.00 0.00 O ATOM 618 CB SER A 42 9.017 -2.439 -15.311 1.00 0.00 C ATOM 619 OG SER A 42 10.279 -2.096 -14.751 1.00 0.00 O ATOM 0 H SER A 42 6.116 -1.703 -15.772 1.00 0.00 H new ATOM 0 HA SER A 42 8.030 -1.595 -13.556 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.820 -3.502 -15.169 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.021 -2.256 -16.386 1.00 0.00 H new ATOM 0 HG SER A 42 10.994 -2.506 -15.281 1.00 0.00 H new ATOM 625 N PRO A 43 7.443 0.718 -14.310 1.00 0.00 N ATOM 626 CA PRO A 43 7.437 2.164 -14.640 1.00 0.00 C ATOM 627 C PRO A 43 8.840 2.755 -14.472 1.00 0.00 C ATOM 628 O PRO A 43 9.827 2.046 -14.479 1.00 0.00 O ATOM 629 CB PRO A 43 6.469 2.759 -13.621 1.00 0.00 C ATOM 630 CG PRO A 43 6.486 1.806 -12.469 1.00 0.00 C ATOM 631 CD PRO A 43 6.780 0.439 -13.031 1.00 0.00 C ATOM 0 HA PRO A 43 7.143 2.369 -15.669 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.784 3.756 -13.313 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.467 2.856 -14.038 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.244 2.095 -11.741 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.527 1.811 -11.950 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.423 -0.137 -12.365 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.867 -0.140 -13.172 1.00 0.00 H new ATOM 639 N SER A 44 8.935 4.048 -14.322 1.00 0.00 N ATOM 640 CA SER A 44 10.275 4.681 -14.154 1.00 0.00 C ATOM 641 C SER A 44 10.235 5.712 -13.023 1.00 0.00 C ATOM 642 O SER A 44 9.183 6.061 -12.525 1.00 0.00 O ATOM 643 CB SER A 44 10.560 5.364 -15.491 1.00 0.00 C ATOM 644 OG SER A 44 9.330 5.671 -16.132 1.00 0.00 O ATOM 0 H SER A 44 8.145 4.693 -14.308 1.00 0.00 H new ATOM 0 HA SER A 44 11.045 3.955 -13.894 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.138 6.275 -15.332 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.161 4.712 -16.125 1.00 0.00 H new ATOM 0 HG SER A 44 9.509 6.111 -16.989 1.00 0.00 H new ATOM 650 N GLU A 45 11.374 6.201 -12.612 1.00 0.00 N ATOM 651 CA GLU A 45 11.400 7.208 -11.513 1.00 0.00 C ATOM 652 C GLU A 45 10.290 8.243 -11.718 1.00 0.00 C ATOM 653 O GLU A 45 9.399 8.381 -10.903 1.00 0.00 O ATOM 654 CB GLU A 45 12.774 7.870 -11.614 1.00 0.00 C ATOM 655 CG GLU A 45 13.595 7.532 -10.368 1.00 0.00 C ATOM 656 CD GLU A 45 14.732 8.545 -10.216 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.319 8.903 -11.224 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.994 8.946 -9.094 1.00 0.00 O ATOM 0 H GLU A 45 12.287 5.947 -12.990 1.00 0.00 H new ATOM 0 HA GLU A 45 11.236 6.756 -10.535 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.292 7.524 -12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.663 8.950 -11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.958 7.549 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.001 6.524 -10.449 1.00 0.00 H new ATOM 665 N ALA A 46 10.335 8.969 -12.801 1.00 0.00 N ATOM 666 CA ALA A 46 9.281 9.993 -13.057 1.00 0.00 C ATOM 667 C ALA A 46 7.901 9.425 -12.718 1.00 0.00 C ATOM 668 O ALA A 46 7.138 10.019 -11.982 1.00 0.00 O ATOM 669 CB ALA A 46 9.383 10.302 -14.551 1.00 0.00 C ATOM 0 H ALA A 46 11.055 8.898 -13.520 1.00 0.00 H new ATOM 0 HA ALA A 46 9.415 10.886 -12.447 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.637 11.050 -14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.378 10.685 -14.776 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.206 9.392 -15.124 1.00 0.00 H new ATOM 675 N GLU A 47 7.574 8.278 -13.249 1.00 0.00 N ATOM 676 CA GLU A 47 6.244 7.673 -12.956 1.00 0.00 C ATOM 677 C GLU A 47 6.058 7.516 -11.444 1.00 0.00 C ATOM 678 O GLU A 47 4.972 7.675 -10.923 1.00 0.00 O ATOM 679 CB GLU A 47 6.272 6.305 -13.638 1.00 0.00 C ATOM 680 CG GLU A 47 4.840 5.833 -13.896 1.00 0.00 C ATOM 681 CD GLU A 47 4.366 6.357 -15.254 1.00 0.00 C ATOM 682 OE1 GLU A 47 5.201 6.519 -16.128 1.00 0.00 O ATOM 683 OE2 GLU A 47 3.177 6.587 -15.395 1.00 0.00 O ATOM 0 H GLU A 47 8.170 7.734 -13.873 1.00 0.00 H new ATOM 0 HA GLU A 47 5.420 8.290 -13.316 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.821 6.367 -14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.796 5.585 -13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.796 4.744 -13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.180 6.191 -13.106 1.00 0.00 H new ATOM 690 N VAL A 48 7.110 7.203 -10.738 1.00 0.00 N ATOM 691 CA VAL A 48 6.993 7.036 -9.260 1.00 0.00 C ATOM 692 C VAL A 48 6.740 8.391 -8.594 1.00 0.00 C ATOM 693 O VAL A 48 5.903 8.518 -7.721 1.00 0.00 O ATOM 694 CB VAL A 48 8.341 6.466 -8.817 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.220 5.914 -7.396 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.753 5.338 -9.768 1.00 0.00 C ATOM 0 H VAL A 48 8.045 7.056 -11.119 1.00 0.00 H new ATOM 0 HA VAL A 48 6.164 6.385 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 48 9.094 7.254 -8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.181 5.508 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.925 6.715 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.468 5.125 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.714 4.930 -9.454 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.000 4.550 -9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.839 5.730 -10.782 1.00 0.00 H new ATOM 706 N ASN A 49 7.455 9.405 -8.998 1.00 0.00 N ATOM 707 CA ASN A 49 7.255 10.750 -8.388 1.00 0.00 C ATOM 708 C ASN A 49 5.776 11.142 -8.444 1.00 0.00 C ATOM 709 O ASN A 49 5.199 11.570 -7.464 1.00 0.00 O ATOM 710 CB ASN A 49 8.094 11.701 -9.242 1.00 0.00 C ATOM 711 CG ASN A 49 8.485 12.925 -8.411 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.664 13.488 -7.714 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.713 13.363 -8.456 1.00 0.00 N ATOM 0 H ASN A 49 8.169 9.360 -9.725 1.00 0.00 H new ATOM 0 HA ASN A 49 7.551 10.776 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.988 11.191 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.529 12.011 -10.121 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.984 14.178 -7.906 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.402 12.890 -9.041 1.00 0.00 H new ATOM 720 N ASP A 50 5.158 10.997 -9.585 1.00 0.00 N ATOM 721 CA ASP A 50 3.716 11.361 -9.702 1.00 0.00 C ATOM 722 C ASP A 50 2.851 10.343 -8.954 1.00 0.00 C ATOM 723 O ASP A 50 1.910 10.696 -8.272 1.00 0.00 O ATOM 724 CB ASP A 50 3.419 11.319 -11.202 1.00 0.00 C ATOM 725 CG ASP A 50 2.390 12.397 -11.548 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.208 12.122 -11.424 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.802 13.479 -11.933 1.00 0.00 O ATOM 0 H ASP A 50 5.588 10.643 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 50 3.499 12.338 -9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.335 11.480 -11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.040 10.336 -11.481 1.00 0.00 H new ATOM 732 N LEU A 51 3.162 9.081 -9.079 1.00 0.00 N ATOM 733 CA LEU A 51 2.356 8.042 -8.374 1.00 0.00 C ATOM 734 C LEU A 51 2.253 8.375 -6.883 1.00 0.00 C ATOM 735 O LEU A 51 1.181 8.378 -6.311 1.00 0.00 O ATOM 736 CB LEU A 51 3.127 6.737 -8.580 1.00 0.00 C ATOM 737 CG LEU A 51 2.901 6.231 -10.006 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.996 5.227 -10.371 1.00 0.00 C ATOM 739 CD2 LEU A 51 1.535 5.546 -10.093 1.00 0.00 C ATOM 0 H LEU A 51 3.938 8.725 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 51 1.337 7.979 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.191 6.899 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.795 5.989 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 51 2.932 7.072 -10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.835 4.866 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.970 5.712 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.964 4.386 -9.678 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.373 5.185 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.505 4.705 -9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.753 6.259 -9.832 1.00 0.00 H new ATOM 751 N MET A 52 3.359 8.658 -6.250 1.00 0.00 N ATOM 752 CA MET A 52 3.322 8.990 -4.797 1.00 0.00 C ATOM 753 C MET A 52 2.732 10.387 -4.589 1.00 0.00 C ATOM 754 O MET A 52 1.980 10.622 -3.663 1.00 0.00 O ATOM 755 CB MET A 52 4.783 8.953 -4.345 1.00 0.00 C ATOM 756 CG MET A 52 5.405 7.612 -4.738 1.00 0.00 C ATOM 757 SD MET A 52 5.064 6.388 -3.450 1.00 0.00 S ATOM 758 CE MET A 52 4.490 5.064 -4.542 1.00 0.00 C ATOM 0 H MET A 52 4.286 8.674 -6.676 1.00 0.00 H new ATOM 0 HA MET A 52 2.702 8.295 -4.230 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.338 9.772 -4.804 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.844 9.092 -3.266 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.998 7.276 -5.691 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.481 7.724 -4.873 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.390 4.140 -3.972 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.523 5.335 -4.966 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.211 4.918 -5.347 1.00 0.00 H new ATOM 768 N ASN A 53 3.065 11.316 -5.443 1.00 0.00 N ATOM 769 CA ASN A 53 2.521 12.696 -5.293 1.00 0.00 C ATOM 770 C ASN A 53 0.991 12.669 -5.327 1.00 0.00 C ATOM 771 O ASN A 53 0.334 13.594 -4.892 1.00 0.00 O ATOM 772 CB ASN A 53 3.071 13.471 -6.492 1.00 0.00 C ATOM 773 CG ASN A 53 4.484 13.964 -6.177 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.853 14.093 -5.027 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.296 14.246 -7.158 1.00 0.00 N ATOM 0 H ASN A 53 3.690 11.179 -6.238 1.00 0.00 H new ATOM 0 HA ASN A 53 2.809 13.152 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.086 12.833 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.422 14.316 -6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.241 14.575 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.986 14.138 -8.124 1.00 0.00 H new ATOM 782 N GLU A 54 0.418 11.616 -5.842 1.00 0.00 N ATOM 783 CA GLU A 54 -1.070 11.531 -5.902 1.00 0.00 C ATOM 784 C GLU A 54 -1.601 10.708 -4.726 1.00 0.00 C ATOM 785 O GLU A 54 -2.773 10.398 -4.652 1.00 0.00 O ATOM 786 CB GLU A 54 -1.372 10.829 -7.227 1.00 0.00 C ATOM 787 CG GLU A 54 -2.571 11.502 -7.899 1.00 0.00 C ATOM 788 CD GLU A 54 -2.756 10.930 -9.305 1.00 0.00 C ATOM 789 OE1 GLU A 54 -1.761 10.771 -9.995 1.00 0.00 O ATOM 790 OE2 GLU A 54 -3.888 10.660 -9.671 1.00 0.00 O ATOM 0 H GLU A 54 0.915 10.811 -6.224 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.543 12.511 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.502 10.875 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.584 9.774 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.472 11.339 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.415 12.579 -7.951 1.00 0.00 H new ATOM 797 N ILE A 55 -0.748 10.353 -3.805 1.00 0.00 N ATOM 798 CA ILE A 55 -1.205 9.550 -2.634 1.00 0.00 C ATOM 799 C ILE A 55 -0.399 9.925 -1.389 1.00 0.00 C ATOM 800 O ILE A 55 -0.942 10.110 -0.317 1.00 0.00 O ATOM 801 CB ILE A 55 -0.945 8.096 -3.025 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.165 7.194 -1.808 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.497 7.949 -3.513 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.720 5.770 -2.141 1.00 0.00 C ATOM 0 H ILE A 55 0.246 10.584 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.254 9.726 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.630 7.806 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.601 7.572 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.217 7.200 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.683 6.912 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.655 8.592 -4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.182 8.239 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.877 5.128 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.303 5.394 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.338 5.772 -2.405 1.00 0.00 H new ATOM 816 N ASP A 56 0.895 10.036 -1.519 1.00 0.00 N ATOM 817 CA ASP A 56 1.735 10.398 -0.342 1.00 0.00 C ATOM 818 C ASP A 56 1.257 11.722 0.263 1.00 0.00 C ATOM 819 O ASP A 56 1.129 12.717 -0.422 1.00 0.00 O ATOM 820 CB ASP A 56 3.152 10.543 -0.895 1.00 0.00 C ATOM 821 CG ASP A 56 4.109 10.911 0.240 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.622 10.005 0.874 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.313 12.095 0.454 1.00 0.00 O ATOM 0 H ASP A 56 1.407 9.892 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 56 1.681 9.650 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.468 9.611 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.175 11.311 -1.668 1.00 0.00 H new ATOM 828 N VAL A 57 0.993 11.740 1.540 1.00 0.00 N ATOM 829 CA VAL A 57 0.523 13.000 2.186 1.00 0.00 C ATOM 830 C VAL A 57 1.720 13.861 2.599 1.00 0.00 C ATOM 831 O VAL A 57 1.655 15.074 2.593 1.00 0.00 O ATOM 832 CB VAL A 57 -0.260 12.546 3.417 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.817 13.769 4.148 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.416 11.643 2.981 1.00 0.00 C ATOM 0 H VAL A 57 1.082 10.938 2.164 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.087 13.605 1.515 1.00 0.00 H new ATOM 0 HB VAL A 57 0.402 11.994 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.376 13.445 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.006 14.413 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.479 14.322 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.975 11.319 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.077 12.195 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.020 10.771 2.460 1.00 0.00 H new ATOM 844 N ASP A 58 2.812 13.243 2.959 1.00 0.00 N ATOM 845 CA ASP A 58 4.010 14.028 3.371 1.00 0.00 C ATOM 846 C ASP A 58 5.275 13.177 3.230 1.00 0.00 C ATOM 847 O ASP A 58 6.081 13.388 2.345 1.00 0.00 O ATOM 848 CB ASP A 58 3.764 14.384 4.838 1.00 0.00 C ATOM 849 CG ASP A 58 3.166 15.789 4.929 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.668 16.670 4.251 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.216 15.960 5.675 1.00 0.00 O ATOM 0 H ASP A 58 2.926 12.230 2.986 1.00 0.00 H new ATOM 0 HA ASP A 58 4.155 14.915 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.087 13.659 5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.699 14.338 5.396 1.00 0.00 H new ATOM 856 N GLY A 59 5.456 12.217 4.095 1.00 0.00 N ATOM 857 CA GLY A 59 6.669 11.354 4.009 1.00 0.00 C ATOM 858 C GLY A 59 6.249 9.885 3.938 1.00 0.00 C ATOM 859 O GLY A 59 6.278 9.271 2.891 1.00 0.00 O ATOM 0 H GLY A 59 4.817 11.993 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.254 11.618 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.307 11.519 4.877 1.00 0.00 H new ATOM 863 N ASN A 60 5.860 9.316 5.046 1.00 0.00 N ATOM 864 CA ASN A 60 5.439 7.885 5.043 1.00 0.00 C ATOM 865 C ASN A 60 3.932 7.775 5.295 1.00 0.00 C ATOM 866 O ASN A 60 3.285 8.732 5.672 1.00 0.00 O ATOM 867 CB ASN A 60 6.222 7.239 6.185 1.00 0.00 C ATOM 868 CG ASN A 60 6.056 5.719 6.124 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.992 5.147 5.054 1.00 0.00 O ATOM 870 ND2 ASN A 60 5.984 5.038 7.234 1.00 0.00 N ATOM 0 H ASN A 60 5.815 9.780 5.953 1.00 0.00 H new ATOM 0 HA ASN A 60 5.637 7.399 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.277 7.503 6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.865 7.616 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.874 4.024 7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.038 5.519 8.132 1.00 0.00 H new ATOM 877 N HIS A 61 3.370 6.615 5.090 1.00 0.00 N ATOM 878 CA HIS A 61 1.907 6.446 5.319 1.00 0.00 C ATOM 879 C HIS A 61 1.501 4.986 5.092 1.00 0.00 C ATOM 880 O HIS A 61 2.285 4.179 4.633 1.00 0.00 O ATOM 881 CB HIS A 61 1.236 7.357 4.290 1.00 0.00 C ATOM 882 CG HIS A 61 1.373 6.754 2.917 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.294 5.757 2.637 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.711 6.996 1.739 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.162 5.439 1.336 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.212 6.165 0.742 1.00 0.00 N ATOM 0 H HIS A 61 3.860 5.778 4.774 1.00 0.00 H new ATOM 0 HA HIS A 61 1.616 6.701 6.338 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.183 7.488 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.694 8.346 4.311 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.952 5.340 3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.078 7.721 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.753 4.688 0.833 1.00 0.00 H new ATOM 894 N GLN A 62 0.284 4.642 5.411 1.00 0.00 N ATOM 895 CA GLN A 62 -0.170 3.235 5.211 1.00 0.00 C ATOM 896 C GLN A 62 -1.135 3.154 4.026 1.00 0.00 C ATOM 897 O GLN A 62 -2.280 3.549 4.118 1.00 0.00 O ATOM 898 CB GLN A 62 -0.882 2.861 6.512 1.00 0.00 C ATOM 899 CG GLN A 62 -2.104 3.759 6.702 1.00 0.00 C ATOM 900 CD GLN A 62 -3.379 2.930 6.542 1.00 0.00 C ATOM 901 OE1 GLN A 62 -4.375 3.195 7.184 1.00 0.00 O ATOM 902 NE2 GLN A 62 -3.390 1.928 5.705 1.00 0.00 N ATOM 0 H GLN A 62 -0.416 5.273 5.801 1.00 0.00 H new ATOM 0 HA GLN A 62 0.657 2.560 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.187 1.815 6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.201 2.972 7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.079 4.220 7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.090 4.568 5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.554 1.705 5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.235 1.368 5.591 1.00 0.00 H new ATOM 911 N ILE A 63 -0.680 2.646 2.913 1.00 0.00 N ATOM 912 CA ILE A 63 -1.571 2.541 1.722 1.00 0.00 C ATOM 913 C ILE A 63 -2.647 1.478 1.957 1.00 0.00 C ATOM 914 O ILE A 63 -2.514 0.624 2.810 1.00 0.00 O ATOM 915 CB ILE A 63 -0.651 2.129 0.574 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.351 3.251 0.298 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.483 1.868 -0.682 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.309 2.819 -0.814 1.00 0.00 C ATOM 0 H ILE A 63 0.270 2.299 2.777 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.091 3.476 1.512 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.115 1.220 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.176 4.159 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.910 3.484 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.825 1.574 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.197 1.068 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.021 2.775 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.023 3.619 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.845 1.922 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.742 2.608 -1.721 1.00 0.00 H new ATOM 930 N GLU A 64 -3.712 1.522 1.204 1.00 0.00 N ATOM 931 CA GLU A 64 -4.794 0.513 1.381 1.00 0.00 C ATOM 932 C GLU A 64 -5.049 -0.224 0.064 1.00 0.00 C ATOM 933 O GLU A 64 -5.231 0.382 -0.973 1.00 0.00 O ATOM 934 CB GLU A 64 -6.026 1.321 1.792 1.00 0.00 C ATOM 935 CG GLU A 64 -6.102 1.398 3.317 1.00 0.00 C ATOM 936 CD GLU A 64 -7.269 0.545 3.814 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.346 0.662 3.252 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.067 -0.214 4.749 1.00 0.00 O ATOM 0 H GLU A 64 -3.879 2.214 0.473 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.537 -0.243 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.973 2.324 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.928 0.855 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.168 1.047 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.234 2.433 3.633 1.00 0.00 H new ATOM 945 N PHE A 65 -5.062 -1.529 0.097 1.00 0.00 N ATOM 946 CA PHE A 65 -5.303 -2.303 -1.154 1.00 0.00 C ATOM 947 C PHE A 65 -6.437 -1.665 -1.963 1.00 0.00 C ATOM 948 O PHE A 65 -6.410 -1.646 -3.177 1.00 0.00 O ATOM 949 CB PHE A 65 -5.703 -3.702 -0.683 1.00 0.00 C ATOM 950 CG PHE A 65 -5.865 -4.608 -1.880 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.840 -4.704 -2.829 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.040 -5.353 -2.040 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.991 -5.545 -3.938 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.190 -6.193 -3.149 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.165 -6.289 -4.098 1.00 0.00 C ATOM 0 H PHE A 65 -4.916 -2.092 0.935 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.426 -2.325 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.944 -4.102 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.635 -3.655 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.934 -4.130 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.830 -5.279 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.201 -5.619 -4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.096 -6.767 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.281 -6.938 -4.954 1.00 0.00 H new ATOM 965 N SER A 66 -7.431 -1.143 -1.299 1.00 0.00 N ATOM 966 CA SER A 66 -8.564 -0.507 -2.031 1.00 0.00 C ATOM 967 C SER A 66 -8.059 0.678 -2.859 1.00 0.00 C ATOM 968 O SER A 66 -7.856 0.571 -4.052 1.00 0.00 O ATOM 969 CB SER A 66 -9.522 -0.030 -0.941 1.00 0.00 C ATOM 970 OG SER A 66 -10.352 -1.112 -0.539 1.00 0.00 O ATOM 0 H SER A 66 -7.508 -1.129 -0.282 1.00 0.00 H new ATOM 0 HA SER A 66 -9.047 -1.196 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.960 0.349 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.132 0.793 -1.312 1.00 0.00 H new ATOM 0 HG SER A 66 -10.967 -0.810 0.162 1.00 0.00 H new ATOM 976 N GLU A 67 -7.855 1.807 -2.236 1.00 0.00 N ATOM 977 CA GLU A 67 -7.364 2.995 -2.990 1.00 0.00 C ATOM 978 C GLU A 67 -6.213 2.593 -3.916 1.00 0.00 C ATOM 979 O GLU A 67 -6.144 3.013 -5.055 1.00 0.00 O ATOM 980 CB GLU A 67 -6.874 3.970 -1.918 1.00 0.00 C ATOM 981 CG GLU A 67 -5.559 3.462 -1.324 1.00 0.00 C ATOM 982 CD GLU A 67 -5.133 4.373 -0.172 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.974 5.111 0.317 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.974 4.319 0.203 1.00 0.00 O ATOM 0 H GLU A 67 -8.007 1.958 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.139 3.435 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.731 4.960 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.624 4.071 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.680 2.439 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.785 3.442 -2.091 1.00 0.00 H new ATOM 991 N PHE A 68 -5.310 1.782 -3.438 1.00 0.00 N ATOM 992 CA PHE A 68 -4.165 1.353 -4.292 1.00 0.00 C ATOM 993 C PHE A 68 -4.659 1.004 -5.700 1.00 0.00 C ATOM 994 O PHE A 68 -4.286 1.629 -6.672 1.00 0.00 O ATOM 995 CB PHE A 68 -3.597 0.114 -3.597 1.00 0.00 C ATOM 996 CG PHE A 68 -2.693 -0.634 -4.549 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.019 0.055 -5.564 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.530 -2.018 -4.415 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.181 -0.638 -6.445 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.692 -2.713 -5.297 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.018 -2.022 -6.311 1.00 0.00 C ATOM 0 H PHE A 68 -5.315 1.397 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.415 2.136 -4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.041 0.407 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.409 -0.534 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.146 1.123 -5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.050 -2.550 -3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.661 -0.106 -7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.566 -3.781 -5.195 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.372 -2.557 -6.991 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.494 0.008 -5.813 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.009 -0.383 -7.157 1.00 0.00 C ATOM 1013 C LEU A 69 -7.003 0.664 -7.668 1.00 0.00 C ATOM 1014 O LEU A 69 -6.999 1.021 -8.829 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.706 -1.726 -6.936 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.712 -2.864 -7.174 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.401 -2.566 -6.442 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.301 -4.173 -6.645 1.00 0.00 C ATOM 0 H LEU A 69 -5.842 -0.552 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.215 -0.454 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.100 -1.780 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.554 -1.823 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.517 -2.955 -8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.695 -3.379 -6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.979 -1.634 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.594 -2.473 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.594 -4.985 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.497 -4.079 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.233 -4.390 -7.167 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.853 1.158 -6.810 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.843 2.183 -7.251 1.00 0.00 C ATOM 1032 C ALA A 70 -8.129 3.322 -7.983 1.00 0.00 C ATOM 1033 O ALA A 70 -8.711 4.011 -8.798 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.486 2.693 -5.961 1.00 0.00 C ATOM 0 H ALA A 70 -7.905 0.898 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.583 1.776 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.229 3.453 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.969 1.864 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.719 3.125 -5.318 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.872 3.524 -7.700 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.119 4.618 -8.379 1.00 0.00 C ATOM 1042 C LEU A 71 -5.252 4.043 -9.503 1.00 0.00 C ATOM 1043 O LEU A 71 -5.118 4.630 -10.558 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.243 5.234 -7.288 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.112 5.619 -6.090 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -5.314 5.434 -4.797 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.538 7.084 -6.220 1.00 0.00 C ATOM 0 H LEU A 71 -6.332 2.979 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.781 5.355 -8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.475 4.524 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.728 6.114 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.996 4.982 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.935 5.709 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.009 4.392 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.429 6.070 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.158 7.360 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.653 7.719 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.107 7.217 -7.140 1.00 0.00 H new ATOM 1059 N MET A 72 -4.663 2.899 -9.282 1.00 0.00 N ATOM 1060 CA MET A 72 -3.805 2.287 -10.337 1.00 0.00 C ATOM 1061 C MET A 72 -4.629 2.014 -11.598 1.00 0.00 C ATOM 1062 O MET A 72 -4.095 1.869 -12.681 1.00 0.00 O ATOM 1063 CB MET A 72 -3.307 0.974 -9.728 1.00 0.00 C ATOM 1064 CG MET A 72 -1.804 1.074 -9.458 1.00 0.00 C ATOM 1065 SD MET A 72 -0.941 1.489 -10.994 1.00 0.00 S ATOM 1066 CE MET A 72 -0.500 3.188 -10.556 1.00 0.00 C ATOM 0 H MET A 72 -4.739 2.362 -8.418 1.00 0.00 H new ATOM 0 HA MET A 72 -2.983 2.940 -10.631 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.841 0.765 -8.801 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.511 0.146 -10.406 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.609 1.835 -8.702 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.431 0.129 -9.063 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.758 3.855 -11.379 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.047 3.487 -9.662 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.571 3.248 -10.363 1.00 0.00 H new ATOM 1076 N SER A 73 -5.925 1.945 -11.468 1.00 0.00 N ATOM 1077 CA SER A 73 -6.782 1.682 -12.660 1.00 0.00 C ATOM 1078 C SER A 73 -6.471 2.693 -13.768 1.00 0.00 C ATOM 1079 O SER A 73 -6.786 2.479 -14.921 1.00 0.00 O ATOM 1080 CB SER A 73 -8.216 1.854 -12.164 1.00 0.00 C ATOM 1081 OG SER A 73 -9.116 1.649 -13.245 1.00 0.00 O ATOM 0 H SER A 73 -6.428 2.059 -10.588 1.00 0.00 H new ATOM 0 HA SER A 73 -6.613 0.690 -13.079 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.424 1.144 -11.364 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.351 2.852 -11.748 1.00 0.00 H new ATOM 0 HG SER A 73 -10.037 1.757 -12.929 1.00 0.00 H new