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 52 MET CE :methyl 179:sc= -4.53! (180deg=-3.5!) USER MOD Set 1.2: A 61 HIS : no HE2:sc= -12.4! C(o=-17!,f=-20!) USER MOD Set 2.1: A 28 SER OG : rot -77:sc= 0.0218 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.129 K(o=0.15,f=-3.9!) USER MOD Set 3.1: A 24 ASN : amide:sc= -3.6! C(o=-3.2!,f=-15!) USER MOD Set 3.2: A 26 SER OG : rot -55:sc= 0.385 USER MOD Set 4.1: A 5 THR OG1 : rot 43:sc= 1.02 USER MOD Set 4.2: A 8 GLN : amide:sc= -0.241 K(o=0.78,f=-3.1!) USER MOD Single : A 13 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.0709) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.051) USER MOD Single : A 29 SER OG : rot 180:sc= -0.908! 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 36 MET CE :methyl -156:sc= -0.636 (180deg=-1.22) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.33) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -108:sc= -0.849 (180deg=-1.38) USER MOD Single : A 73 SER OG : rot 172:sc= 0.094 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.110 -6.431 -14.364 1.00 0.00 N ATOM 59 CA THR A 5 -11.353 -7.234 -14.177 1.00 0.00 C ATOM 60 C THR A 5 -11.306 -7.976 -12.838 1.00 0.00 C ATOM 61 O THR A 5 -10.549 -7.631 -11.953 1.00 0.00 O ATOM 62 CB THR A 5 -11.362 -8.226 -15.340 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.504 -7.755 -16.370 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.784 -8.367 -15.883 1.00 0.00 C ATOM 0 HA THR A 5 -12.249 -6.613 -14.165 1.00 0.00 H new ATOM 0 HB THR A 5 -11.012 -9.197 -14.991 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.676 -7.411 -15.974 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.788 -9.075 -16.712 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.441 -8.730 -15.093 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.138 -7.397 -16.232 1.00 0.00 H new ATOM 72 N GLU A 6 -12.111 -8.991 -12.684 1.00 0.00 N ATOM 73 CA GLU A 6 -12.113 -9.753 -11.402 1.00 0.00 C ATOM 74 C GLU A 6 -10.763 -10.446 -11.197 1.00 0.00 C ATOM 75 O GLU A 6 -9.978 -10.059 -10.354 1.00 0.00 O ATOM 76 CB GLU A 6 -13.228 -10.787 -11.557 1.00 0.00 C ATOM 77 CG GLU A 6 -14.570 -10.070 -11.725 1.00 0.00 C ATOM 78 CD GLU A 6 -15.468 -10.380 -10.526 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.752 -11.547 -10.309 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.856 -9.446 -9.844 1.00 0.00 O ATOM 0 H GLU A 6 -12.767 -9.326 -13.389 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.273 -9.108 -10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.032 -11.422 -12.421 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.258 -11.438 -10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.412 -8.995 -11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.053 -10.392 -12.648 1.00 0.00 H new ATOM 87 N GLU A 7 -10.487 -11.466 -11.962 1.00 0.00 N ATOM 88 CA GLU A 7 -9.188 -12.181 -11.811 1.00 0.00 C ATOM 89 C GLU A 7 -8.048 -11.174 -11.641 1.00 0.00 C ATOM 90 O GLU A 7 -7.190 -11.328 -10.794 1.00 0.00 O ATOM 91 CB GLU A 7 -9.017 -12.973 -13.108 1.00 0.00 C ATOM 92 CG GLU A 7 -10.099 -14.049 -13.196 1.00 0.00 C ATOM 93 CD GLU A 7 -10.030 -14.947 -11.958 1.00 0.00 C ATOM 94 OE1 GLU A 7 -8.997 -14.948 -11.309 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.011 -15.618 -11.682 1.00 0.00 O ATOM 0 H GLU A 7 -11.104 -11.835 -12.685 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.172 -12.829 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.084 -12.304 -13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.029 -13.433 -13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.083 -13.585 -13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.961 -14.645 -14.098 1.00 0.00 H new ATOM 102 N GLN A 8 -8.032 -10.141 -12.438 1.00 0.00 N ATOM 103 CA GLN A 8 -6.948 -9.125 -12.319 1.00 0.00 C ATOM 104 C GLN A 8 -6.807 -8.676 -10.863 1.00 0.00 C ATOM 105 O GLN A 8 -5.769 -8.834 -10.251 1.00 0.00 O ATOM 106 CB GLN A 8 -7.397 -7.959 -13.200 1.00 0.00 C ATOM 107 CG GLN A 8 -6.180 -7.337 -13.886 1.00 0.00 C ATOM 108 CD GLN A 8 -6.458 -7.184 -15.382 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.504 -7.577 -15.861 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.560 -6.626 -16.147 1.00 0.00 N ATOM 0 H GLN A 8 -8.722 -9.957 -13.166 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.978 -9.516 -12.627 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.110 -8.308 -13.947 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.909 -7.210 -12.596 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.959 -6.365 -13.445 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.302 -7.964 -13.731 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.682 -6.296 -15.746 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.736 -6.520 -17.146 1.00 0.00 H new ATOM 119 N ILE A 9 -7.846 -8.119 -10.301 1.00 0.00 N ATOM 120 CA ILE A 9 -7.770 -7.663 -8.884 1.00 0.00 C ATOM 121 C ILE A 9 -7.245 -8.793 -7.996 1.00 0.00 C ATOM 122 O ILE A 9 -6.493 -8.569 -7.068 1.00 0.00 O ATOM 123 CB ILE A 9 -9.208 -7.306 -8.506 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.697 -6.158 -9.392 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.259 -6.876 -7.040 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.128 -5.785 -9.000 1.00 0.00 C ATOM 0 H ILE A 9 -8.742 -7.960 -10.761 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.094 -6.818 -8.756 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.849 -8.176 -8.651 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.041 -5.294 -9.281 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.661 -6.453 -10.441 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.284 -6.622 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.910 -7.693 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.619 -6.006 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.477 -4.967 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.779 -6.649 -9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.150 -5.472 -7.956 1.00 0.00 H new ATOM 138 N ALA A 10 -7.635 -10.007 -8.273 1.00 0.00 N ATOM 139 CA ALA A 10 -7.157 -11.151 -7.445 1.00 0.00 C ATOM 140 C ALA A 10 -5.628 -11.145 -7.371 1.00 0.00 C ATOM 141 O ALA A 10 -5.048 -10.992 -6.313 1.00 0.00 O ATOM 142 CB ALA A 10 -7.655 -12.401 -8.172 1.00 0.00 C ATOM 0 H ALA A 10 -8.264 -10.256 -9.036 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.525 -11.103 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.343 -13.290 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.743 -12.377 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.235 -12.429 -9.177 1.00 0.00 H new ATOM 148 N GLU A 11 -4.969 -11.311 -8.486 1.00 0.00 N ATOM 149 CA GLU A 11 -3.478 -11.313 -8.478 1.00 0.00 C ATOM 150 C GLU A 11 -2.956 -10.077 -7.741 1.00 0.00 C ATOM 151 O GLU A 11 -1.932 -10.120 -7.085 1.00 0.00 O ATOM 152 CB GLU A 11 -3.074 -11.271 -9.952 1.00 0.00 C ATOM 153 CG GLU A 11 -3.206 -12.668 -10.558 1.00 0.00 C ATOM 154 CD GLU A 11 -2.559 -12.687 -11.944 1.00 0.00 C ATOM 155 OE1 GLU A 11 -1.358 -12.490 -12.018 1.00 0.00 O ATOM 156 OE2 GLU A 11 -3.276 -12.896 -12.908 1.00 0.00 O ATOM 0 H GLU A 11 -5.398 -11.445 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.066 -12.185 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.706 -10.567 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.048 -10.917 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.727 -13.403 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.257 -12.946 -10.632 1.00 0.00 H new ATOM 163 N PHE A 12 -3.651 -8.978 -7.840 1.00 0.00 N ATOM 164 CA PHE A 12 -3.194 -7.741 -7.144 1.00 0.00 C ATOM 165 C PHE A 12 -3.285 -7.930 -5.628 1.00 0.00 C ATOM 166 O PHE A 12 -2.381 -7.583 -4.893 1.00 0.00 O ATOM 167 CB PHE A 12 -4.157 -6.648 -7.607 1.00 0.00 C ATOM 168 CG PHE A 12 -3.736 -6.147 -8.968 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.623 -7.040 -10.040 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.459 -4.787 -9.158 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.234 -6.574 -11.302 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.071 -4.322 -10.420 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.958 -5.215 -11.492 1.00 0.00 C ATOM 0 H PHE A 12 -4.516 -8.882 -8.373 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.158 -7.493 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.174 -7.039 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.162 -5.826 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.836 -8.089 -9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.545 -4.098 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.147 -7.263 -12.129 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.859 -3.273 -10.567 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.658 -4.856 -12.465 1.00 0.00 H new ATOM 183 N LYS A 13 -4.370 -8.479 -5.153 1.00 0.00 N ATOM 184 CA LYS A 13 -4.517 -8.691 -3.685 1.00 0.00 C ATOM 185 C LYS A 13 -3.343 -9.519 -3.155 1.00 0.00 C ATOM 186 O LYS A 13 -2.650 -9.116 -2.242 1.00 0.00 O ATOM 187 CB LYS A 13 -5.830 -9.459 -3.526 1.00 0.00 C ATOM 188 CG LYS A 13 -6.504 -9.052 -2.214 1.00 0.00 C ATOM 189 CD LYS A 13 -7.863 -9.743 -2.100 1.00 0.00 C ATOM 190 CE LYS A 13 -8.438 -9.515 -0.701 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.802 -10.559 0.150 1.00 0.00 N ATOM 0 H LYS A 13 -5.160 -8.790 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.524 -7.754 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.491 -9.249 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.639 -10.532 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.873 -9.327 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.631 -7.970 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.546 -9.351 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.757 -10.811 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.207 -8.514 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.524 -9.612 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.498 -11.301 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.997 -10.978 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.466 -10.128 1.035 1.00 0.00 H new ATOM 205 N GLU A 14 -3.114 -10.671 -3.722 1.00 0.00 N ATOM 206 CA GLU A 14 -1.982 -11.519 -3.252 1.00 0.00 C ATOM 207 C GLU A 14 -0.695 -10.693 -3.200 1.00 0.00 C ATOM 208 O GLU A 14 0.063 -10.765 -2.253 1.00 0.00 O ATOM 209 CB GLU A 14 -1.862 -12.635 -4.290 1.00 0.00 C ATOM 210 CG GLU A 14 -2.534 -13.903 -3.759 1.00 0.00 C ATOM 211 CD GLU A 14 -2.260 -15.065 -4.715 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.708 -14.818 -5.775 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.607 -16.183 -4.372 1.00 0.00 O ATOM 0 H GLU A 14 -3.661 -11.062 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.149 -11.914 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.330 -12.328 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.812 -12.831 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.155 -14.139 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.608 -13.744 -3.661 1.00 0.00 H new ATOM 220 N ALA A 15 -0.445 -9.906 -4.211 1.00 0.00 N ATOM 221 CA ALA A 15 0.791 -9.072 -4.220 1.00 0.00 C ATOM 222 C ALA A 15 0.735 -8.034 -3.096 1.00 0.00 C ATOM 223 O ALA A 15 1.460 -8.116 -2.125 1.00 0.00 O ATOM 224 CB ALA A 15 0.792 -8.384 -5.585 1.00 0.00 C ATOM 0 H ALA A 15 -1.043 -9.804 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 15 1.692 -9.664 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.674 -7.749 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.809 -9.138 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.106 -7.774 -5.686 1.00 0.00 H new ATOM 230 N PHE A 16 -0.124 -7.059 -3.223 1.00 0.00 N ATOM 231 CA PHE A 16 -0.233 -6.014 -2.164 1.00 0.00 C ATOM 232 C PHE A 16 -0.160 -6.652 -0.774 1.00 0.00 C ATOM 233 O PHE A 16 0.631 -6.257 0.060 1.00 0.00 O ATOM 234 CB PHE A 16 -1.603 -5.374 -2.390 1.00 0.00 C ATOM 235 CG PHE A 16 -1.792 -4.227 -1.427 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.315 -2.952 -1.753 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.449 -4.437 -0.208 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.494 -1.889 -0.861 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.627 -3.373 0.684 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.149 -2.099 0.357 1.00 0.00 C ATOM 0 H PHE A 16 -0.756 -6.941 -4.015 1.00 0.00 H new ATOM 0 HA PHE A 16 0.576 -5.285 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.684 -5.017 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.390 -6.115 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.809 -2.789 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.818 -5.420 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.126 -0.905 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.133 -3.535 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.286 -1.278 1.045 1.00 0.00 H new ATOM 250 N ALA A 17 -0.978 -7.635 -0.518 1.00 0.00 N ATOM 251 CA ALA A 17 -0.957 -8.297 0.818 1.00 0.00 C ATOM 252 C ALA A 17 0.379 -9.014 1.038 1.00 0.00 C ATOM 253 O ALA A 17 0.838 -9.160 2.153 1.00 0.00 O ATOM 254 CB ALA A 17 -2.106 -9.304 0.780 1.00 0.00 C ATOM 0 H ALA A 17 -1.661 -8.009 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.068 -7.581 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.157 -9.834 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.045 -8.778 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.937 -10.019 -0.025 1.00 0.00 H new ATOM 260 N LEU A 18 1.004 -9.465 -0.015 1.00 0.00 N ATOM 261 CA LEU A 18 2.307 -10.173 0.140 1.00 0.00 C ATOM 262 C LEU A 18 3.278 -9.325 0.967 1.00 0.00 C ATOM 263 O LEU A 18 4.127 -9.843 1.666 1.00 0.00 O ATOM 264 CB LEU A 18 2.834 -10.355 -1.283 1.00 0.00 C ATOM 265 CG LEU A 18 3.295 -11.801 -1.477 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.535 -12.066 -2.965 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.597 -12.027 -0.703 1.00 0.00 C ATOM 0 H LEU A 18 0.670 -9.374 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 18 2.197 -11.125 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.054 -10.111 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.663 -9.671 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 18 2.527 -12.480 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.863 -13.096 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.610 -11.903 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.303 -11.388 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.927 -13.057 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.364 -11.347 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.428 -11.838 0.357 1.00 0.00 H new ATOM 279 N PHE A 19 3.161 -8.027 0.894 1.00 0.00 N ATOM 280 CA PHE A 19 4.079 -7.152 1.678 1.00 0.00 C ATOM 281 C PHE A 19 3.305 -6.431 2.786 1.00 0.00 C ATOM 282 O PHE A 19 3.838 -5.591 3.482 1.00 0.00 O ATOM 283 CB PHE A 19 4.630 -6.147 0.667 1.00 0.00 C ATOM 284 CG PHE A 19 5.087 -6.877 -0.573 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.155 -7.257 -1.545 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.444 -7.174 -0.750 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.579 -7.934 -2.695 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.868 -7.851 -1.901 1.00 0.00 C ATOM 289 CZ PHE A 19 5.935 -8.230 -2.873 1.00 0.00 C ATOM 0 H PHE A 19 2.471 -7.535 0.326 1.00 0.00 H new ATOM 0 HA PHE A 19 4.874 -7.718 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.863 -5.417 0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.462 -5.595 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.108 -7.028 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.163 -6.881 0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.859 -8.228 -3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.914 -8.080 -2.038 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.262 -8.751 -3.761 1.00 0.00 H new ATOM 299 N ASP A 20 2.051 -6.753 2.952 1.00 0.00 N ATOM 300 CA ASP A 20 1.246 -6.086 4.014 1.00 0.00 C ATOM 301 C ASP A 20 1.590 -6.671 5.386 1.00 0.00 C ATOM 302 O ASP A 20 0.945 -7.583 5.862 1.00 0.00 O ATOM 303 CB ASP A 20 -0.209 -6.385 3.652 1.00 0.00 C ATOM 304 CG ASP A 20 -1.134 -5.755 4.696 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.676 -5.519 5.801 1.00 0.00 O ATOM 306 OD2 ASP A 20 -2.287 -5.522 4.371 1.00 0.00 O ATOM 0 H ASP A 20 1.550 -7.448 2.399 1.00 0.00 H new ATOM 0 HA ASP A 20 1.441 -5.015 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.437 -5.990 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.371 -7.462 3.610 1.00 0.00 H new ATOM 311 N LYS A 21 2.602 -6.151 6.025 1.00 0.00 N ATOM 312 CA LYS A 21 2.986 -6.679 7.366 1.00 0.00 C ATOM 313 C LYS A 21 1.751 -6.796 8.263 1.00 0.00 C ATOM 314 O LYS A 21 1.332 -7.878 8.621 1.00 0.00 O ATOM 315 CB LYS A 21 3.965 -5.648 7.932 1.00 0.00 C ATOM 316 CG LYS A 21 5.179 -6.367 8.524 1.00 0.00 C ATOM 317 CD LYS A 21 4.708 -7.412 9.538 1.00 0.00 C ATOM 318 CE LYS A 21 5.765 -7.571 10.634 1.00 0.00 C ATOM 319 NZ LYS A 21 5.001 -7.987 11.845 1.00 0.00 N ATOM 0 H LYS A 21 3.179 -5.385 5.678 1.00 0.00 H new ATOM 0 HA LYS A 21 3.429 -7.673 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.283 -4.963 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.475 -5.048 8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.753 -6.847 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.841 -5.648 9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.758 -7.107 9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.538 -8.367 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.509 -8.319 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.300 -6.637 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.657 -8.117 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.305 -7.253 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.508 -8.882 11.654 1.00 0.00 H new ATOM 333 N ASP A 22 1.165 -5.688 8.628 1.00 0.00 N ATOM 334 CA ASP A 22 -0.042 -5.736 9.502 1.00 0.00 C ATOM 335 C ASP A 22 -1.014 -6.809 9.002 1.00 0.00 C ATOM 336 O ASP A 22 -1.797 -7.352 9.757 1.00 0.00 O ATOM 337 CB ASP A 22 -0.671 -4.347 9.386 1.00 0.00 C ATOM 338 CG ASP A 22 -0.018 -3.404 10.398 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.138 -3.809 11.538 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.314 -2.294 10.016 1.00 0.00 O ATOM 0 H ASP A 22 1.470 -4.752 8.359 1.00 0.00 H new ATOM 0 HA ASP A 22 0.205 -5.986 10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.540 -3.960 8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.744 -4.406 9.568 1.00 0.00 H new ATOM 345 N ASN A 23 -0.971 -7.118 7.734 1.00 0.00 N ATOM 346 CA ASN A 23 -1.892 -8.155 7.189 1.00 0.00 C ATOM 347 C ASN A 23 -3.343 -7.676 7.282 1.00 0.00 C ATOM 348 O ASN A 23 -4.272 -8.449 7.151 1.00 0.00 O ATOM 349 CB ASN A 23 -1.676 -9.383 8.074 1.00 0.00 C ATOM 350 CG ASN A 23 -1.565 -10.632 7.197 1.00 0.00 C ATOM 351 OD1 ASN A 23 -2.463 -10.938 6.439 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.492 -11.373 7.269 1.00 0.00 N ATOM 0 H ASN A 23 -0.339 -6.697 7.053 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.695 -8.370 6.139 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.770 -9.261 8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.504 -9.490 8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.409 -12.208 6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.263 -11.117 7.905 1.00 0.00 H new ATOM 359 N ASN A 24 -3.545 -6.406 7.505 1.00 0.00 N ATOM 360 CA ASN A 24 -4.937 -5.879 7.606 1.00 0.00 C ATOM 361 C ASN A 24 -5.414 -5.383 6.238 1.00 0.00 C ATOM 362 O ASN A 24 -6.563 -5.029 6.062 1.00 0.00 O ATOM 363 CB ASN A 24 -4.849 -4.717 8.597 1.00 0.00 C ATOM 364 CG ASN A 24 -3.781 -3.727 8.130 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.400 -3.726 6.976 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.280 -2.877 8.983 1.00 0.00 N ATOM 0 H ASN A 24 -2.808 -5.711 7.622 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.645 -6.641 7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.815 -4.217 8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.604 -5.091 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.568 -2.211 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.600 -2.878 9.952 1.00 0.00 H new ATOM 373 N GLY A 25 -4.542 -5.355 5.269 1.00 0.00 N ATOM 374 CA GLY A 25 -4.946 -4.883 3.914 1.00 0.00 C ATOM 375 C GLY A 25 -4.321 -3.513 3.642 1.00 0.00 C ATOM 376 O GLY A 25 -4.882 -2.693 2.943 1.00 0.00 O ATOM 0 H GLY A 25 -3.566 -5.639 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.623 -5.598 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.032 -4.818 3.849 1.00 0.00 H new ATOM 380 N SER A 26 -3.164 -3.259 4.188 1.00 0.00 N ATOM 381 CA SER A 26 -2.505 -1.941 3.960 1.00 0.00 C ATOM 382 C SER A 26 -0.983 -2.108 3.942 1.00 0.00 C ATOM 383 O SER A 26 -0.417 -2.820 4.747 1.00 0.00 O ATOM 384 CB SER A 26 -2.935 -1.073 5.141 1.00 0.00 C ATOM 385 OG SER A 26 -2.458 -1.653 6.348 1.00 0.00 O ATOM 0 H SER A 26 -2.646 -3.906 4.782 1.00 0.00 H new ATOM 0 HA SER A 26 -2.787 -1.498 3.005 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.540 -0.063 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.021 -0.989 5.169 1.00 0.00 H new ATOM 0 HG SER A 26 -2.768 -2.581 6.410 1.00 0.00 H new ATOM 391 N ILE A 27 -0.317 -1.455 3.029 1.00 0.00 N ATOM 392 CA ILE A 27 1.169 -1.576 2.960 1.00 0.00 C ATOM 393 C ILE A 27 1.812 -0.188 2.925 1.00 0.00 C ATOM 394 O ILE A 27 1.155 0.806 2.684 1.00 0.00 O ATOM 395 CB ILE A 27 1.445 -2.327 1.657 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.212 -1.391 0.468 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.506 -3.530 1.550 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.440 -2.153 -0.838 1.00 0.00 C ATOM 0 H ILE A 27 -0.736 -0.844 2.328 1.00 0.00 H new ATOM 0 HA ILE A 27 1.581 -2.095 3.825 1.00 0.00 H new ATOM 0 HB ILE A 27 2.479 -2.672 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.197 -0.995 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.888 -0.538 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.704 -4.064 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.673 -4.198 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.528 -3.186 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.274 -1.485 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.463 -2.527 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.746 -2.991 -0.896 1.00 0.00 H new ATOM 410 N SER A 28 3.093 -0.111 3.158 1.00 0.00 N ATOM 411 CA SER A 28 3.776 1.214 3.132 1.00 0.00 C ATOM 412 C SER A 28 4.223 1.540 1.704 1.00 0.00 C ATOM 413 O SER A 28 4.503 0.660 0.915 1.00 0.00 O ATOM 414 CB SER A 28 4.987 1.053 4.050 1.00 0.00 C ATOM 415 OG SER A 28 5.143 2.232 4.830 1.00 0.00 O ATOM 0 H SER A 28 3.696 -0.907 3.365 1.00 0.00 H new ATOM 0 HA SER A 28 3.126 2.025 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.853 0.188 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.885 0.872 3.459 1.00 0.00 H new ATOM 0 HG SER A 28 5.547 2.936 4.281 1.00 0.00 H new ATOM 421 N SER A 29 4.291 2.799 1.366 1.00 0.00 N ATOM 422 CA SER A 29 4.719 3.175 -0.012 1.00 0.00 C ATOM 423 C SER A 29 5.918 2.326 -0.444 1.00 0.00 C ATOM 424 O SER A 29 5.895 1.680 -1.473 1.00 0.00 O ATOM 425 CB SER A 29 5.111 4.649 0.083 1.00 0.00 C ATOM 426 OG SER A 29 6.528 4.756 0.142 1.00 0.00 O ATOM 0 H SER A 29 4.070 3.581 1.982 1.00 0.00 H new ATOM 0 HA SER A 29 3.932 3.010 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.729 5.195 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.664 5.100 0.969 1.00 0.00 H new ATOM 0 HG SER A 29 6.783 5.701 0.201 1.00 0.00 H new ATOM 432 N SER A 30 6.966 2.322 0.335 1.00 0.00 N ATOM 433 CA SER A 30 8.163 1.513 -0.033 1.00 0.00 C ATOM 434 C SER A 30 7.738 0.112 -0.479 1.00 0.00 C ATOM 435 O SER A 30 8.356 -0.493 -1.333 1.00 0.00 O ATOM 436 CB SER A 30 8.998 1.439 1.243 1.00 0.00 C ATOM 437 OG SER A 30 10.362 1.229 0.902 1.00 0.00 O ATOM 0 H SER A 30 7.045 2.843 1.208 1.00 0.00 H new ATOM 0 HA SER A 30 8.721 1.953 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.892 2.361 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.641 0.628 1.878 1.00 0.00 H new ATOM 0 HG SER A 30 10.900 1.183 1.720 1.00 0.00 H new ATOM 443 N GLU A 31 6.687 -0.409 0.093 1.00 0.00 N ATOM 444 CA GLU A 31 6.221 -1.771 -0.298 1.00 0.00 C ATOM 445 C GLU A 31 5.374 -1.696 -1.571 1.00 0.00 C ATOM 446 O GLU A 31 5.378 -2.599 -2.385 1.00 0.00 O ATOM 447 CB GLU A 31 5.378 -2.255 0.881 1.00 0.00 C ATOM 448 CG GLU A 31 6.172 -2.092 2.179 1.00 0.00 C ATOM 449 CD GLU A 31 5.388 -2.712 3.338 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.281 -2.263 3.586 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.909 -3.624 3.958 1.00 0.00 O ATOM 0 H GLU A 31 6.130 0.049 0.814 1.00 0.00 H new ATOM 0 HA GLU A 31 7.050 -2.446 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.450 -1.686 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.103 -3.300 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.145 -2.574 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.357 -1.036 2.375 1.00 0.00 H new ATOM 458 N LEU A 32 4.648 -0.627 -1.750 1.00 0.00 N ATOM 459 CA LEU A 32 3.803 -0.498 -2.972 1.00 0.00 C ATOM 460 C LEU A 32 4.669 -0.626 -4.227 1.00 0.00 C ATOM 461 O LEU A 32 4.319 -1.310 -5.168 1.00 0.00 O ATOM 462 CB LEU A 32 3.185 0.898 -2.884 1.00 0.00 C ATOM 463 CG LEU A 32 2.457 1.216 -4.191 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.376 0.163 -4.444 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.808 2.598 -4.089 1.00 0.00 C ATOM 0 H LEU A 32 4.603 0.162 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 32 3.041 -1.275 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.489 0.947 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.961 1.640 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 32 3.171 1.208 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.858 0.390 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.837 -0.822 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.662 0.170 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.289 2.826 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.095 2.605 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.577 3.349 -3.910 1.00 0.00 H new ATOM 477 N ALA A 33 5.800 0.024 -4.249 1.00 0.00 N ATOM 478 CA ALA A 33 6.685 -0.069 -5.445 1.00 0.00 C ATOM 479 C ALA A 33 6.941 -1.538 -5.788 1.00 0.00 C ATOM 480 O ALA A 33 6.938 -1.927 -6.940 1.00 0.00 O ATOM 481 CB ALA A 33 7.986 0.621 -5.031 1.00 0.00 C ATOM 0 H ALA A 33 6.149 0.614 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 33 6.244 0.395 -6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.692 0.594 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.779 1.657 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.415 0.104 -4.173 1.00 0.00 H new ATOM 487 N THR A 34 7.156 -2.358 -4.796 1.00 0.00 N ATOM 488 CA THR A 34 7.405 -3.802 -5.066 1.00 0.00 C ATOM 489 C THR A 34 6.160 -4.439 -5.688 1.00 0.00 C ATOM 490 O THR A 34 6.161 -4.832 -6.837 1.00 0.00 O ATOM 491 CB THR A 34 7.697 -4.421 -3.699 1.00 0.00 C ATOM 492 OG1 THR A 34 8.905 -3.879 -3.183 1.00 0.00 O ATOM 493 CG2 THR A 34 7.836 -5.936 -3.849 1.00 0.00 C ATOM 0 H THR A 34 7.170 -2.091 -3.812 1.00 0.00 H new ATOM 0 HA THR A 34 8.228 -3.956 -5.764 1.00 0.00 H new ATOM 0 HB THR A 34 6.880 -4.198 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.092 -4.274 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.044 -6.380 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.908 -6.349 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.655 -6.160 -4.533 1.00 0.00 H new ATOM 501 N VAL A 35 5.094 -4.539 -4.939 1.00 0.00 N ATOM 502 CA VAL A 35 3.851 -5.145 -5.495 1.00 0.00 C ATOM 503 C VAL A 35 3.602 -4.606 -6.905 1.00 0.00 C ATOM 504 O VAL A 35 3.060 -5.282 -7.758 1.00 0.00 O ATOM 505 CB VAL A 35 2.733 -4.706 -4.549 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.994 -5.270 -3.152 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.693 -3.178 -4.479 1.00 0.00 C ATOM 0 H VAL A 35 5.031 -4.228 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 35 3.913 -6.231 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 35 1.779 -5.079 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.197 -4.957 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.023 -6.359 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.949 -4.897 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.896 -2.865 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.648 -2.806 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.506 -2.773 -5.474 1.00 0.00 H new ATOM 517 N MET A 36 3.999 -3.388 -7.154 1.00 0.00 N ATOM 518 CA MET A 36 3.793 -2.789 -8.503 1.00 0.00 C ATOM 519 C MET A 36 4.534 -3.604 -9.566 1.00 0.00 C ATOM 520 O MET A 36 3.936 -4.144 -10.476 1.00 0.00 O ATOM 521 CB MET A 36 4.380 -1.380 -8.401 1.00 0.00 C ATOM 522 CG MET A 36 3.800 -0.503 -9.512 1.00 0.00 C ATOM 523 SD MET A 36 2.012 -0.340 -9.280 1.00 0.00 S ATOM 524 CE MET A 36 2.053 1.120 -8.211 1.00 0.00 C ATOM 0 H MET A 36 4.459 -2.779 -6.477 1.00 0.00 H new ATOM 0 HA MET A 36 2.742 -2.775 -8.793 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.151 -0.949 -7.426 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.466 -1.420 -8.485 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.271 0.480 -9.497 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.013 -0.943 -10.486 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.145 1.156 -7.609 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.922 1.066 -7.555 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.117 2.019 -8.825 1.00 0.00 H new ATOM 534 N ARG A 37 5.832 -3.696 -9.463 1.00 0.00 N ATOM 535 CA ARG A 37 6.607 -4.475 -10.474 1.00 0.00 C ATOM 536 C ARG A 37 6.333 -5.975 -10.317 1.00 0.00 C ATOM 537 O ARG A 37 6.562 -6.755 -11.221 1.00 0.00 O ATOM 538 CB ARG A 37 8.072 -4.164 -10.173 1.00 0.00 C ATOM 539 CG ARG A 37 8.489 -2.897 -10.923 1.00 0.00 C ATOM 540 CD ARG A 37 9.990 -2.661 -10.732 1.00 0.00 C ATOM 541 NE ARG A 37 10.225 -1.274 -11.222 1.00 0.00 N ATOM 542 CZ ARG A 37 11.366 -0.685 -10.989 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.420 -1.397 -10.702 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.452 0.615 -11.044 1.00 0.00 N ATOM 0 H ARG A 37 6.390 -3.267 -8.725 1.00 0.00 H new ATOM 0 HA ARG A 37 6.334 -4.210 -11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.213 -4.028 -9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.702 -5.001 -10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.258 -2.997 -11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.925 -2.040 -10.553 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.276 -2.764 -9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.579 -3.384 -11.296 1.00 0.00 H new ATOM 0 HE ARG A 37 9.495 -0.785 -11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.352 -2.414 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.312 -0.937 -10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.627 1.172 -11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.344 1.075 -10.862 1.00 0.00 H new ATOM 558 N SER A 38 5.850 -6.386 -9.176 1.00 0.00 N ATOM 559 CA SER A 38 5.568 -7.834 -8.962 1.00 0.00 C ATOM 560 C SER A 38 4.400 -8.289 -9.838 1.00 0.00 C ATOM 561 O SER A 38 4.365 -9.409 -10.310 1.00 0.00 O ATOM 562 CB SER A 38 5.205 -7.951 -7.482 1.00 0.00 C ATOM 563 OG SER A 38 6.343 -8.391 -6.753 1.00 0.00 O ATOM 0 H SER A 38 5.638 -5.781 -8.382 1.00 0.00 H new ATOM 0 HA SER A 38 6.420 -8.461 -9.226 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.865 -6.988 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.382 -8.653 -7.352 1.00 0.00 H new ATOM 0 HG SER A 38 6.114 -8.465 -5.803 1.00 0.00 H new ATOM 569 N LEU A 39 3.441 -7.434 -10.059 1.00 0.00 N ATOM 570 CA LEU A 39 2.276 -7.828 -10.904 1.00 0.00 C ATOM 571 C LEU A 39 2.736 -8.128 -12.334 1.00 0.00 C ATOM 572 O LEU A 39 2.142 -8.923 -13.033 1.00 0.00 O ATOM 573 CB LEU A 39 1.335 -6.622 -10.884 1.00 0.00 C ATOM 574 CG LEU A 39 0.482 -6.656 -9.614 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.568 -5.546 -9.675 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.221 -8.011 -9.505 1.00 0.00 C ATOM 0 H LEU A 39 3.412 -6.482 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 39 1.786 -8.728 -10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.912 -5.698 -10.922 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.694 -6.634 -11.765 1.00 0.00 H new ATOM 0 HG LEU A 39 1.123 -6.507 -8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.176 -5.570 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.071 -4.579 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.207 -5.697 -10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.828 -8.034 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.860 -8.160 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.524 -8.805 -9.462 1.00 0.00 H new ATOM 588 N GLY A 40 3.792 -7.498 -12.774 1.00 0.00 N ATOM 589 CA GLY A 40 4.286 -7.752 -14.157 1.00 0.00 C ATOM 590 C GLY A 40 4.427 -6.425 -14.905 1.00 0.00 C ATOM 591 O GLY A 40 4.229 -6.352 -16.101 1.00 0.00 O ATOM 0 H GLY A 40 4.332 -6.820 -12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.247 -8.265 -14.122 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.594 -8.407 -14.686 1.00 0.00 H new ATOM 595 N LEU A 41 4.770 -5.375 -14.211 1.00 0.00 N ATOM 596 CA LEU A 41 4.926 -4.054 -14.886 1.00 0.00 C ATOM 597 C LEU A 41 6.197 -3.356 -14.396 1.00 0.00 C ATOM 598 O LEU A 41 6.878 -3.834 -13.510 1.00 0.00 O ATOM 599 CB LEU A 41 3.685 -3.253 -14.487 1.00 0.00 C ATOM 600 CG LEU A 41 3.434 -3.414 -12.987 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.153 -2.044 -12.367 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.227 -4.327 -12.768 1.00 0.00 C ATOM 0 H LEU A 41 4.949 -5.374 -13.207 1.00 0.00 H new ATOM 0 HA LEU A 41 5.015 -4.152 -15.968 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.824 -2.200 -14.732 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.819 -3.600 -15.051 1.00 0.00 H new ATOM 0 HG LEU A 41 4.314 -3.853 -12.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.974 -2.158 -11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.011 -1.391 -12.523 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.273 -1.605 -12.837 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.047 -4.442 -11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.348 -3.887 -13.238 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.424 -5.304 -13.210 1.00 0.00 H new ATOM 614 N SER A 42 6.524 -2.229 -14.968 1.00 0.00 N ATOM 615 CA SER A 42 7.752 -1.503 -14.534 1.00 0.00 C ATOM 616 C SER A 42 7.753 -0.081 -15.103 1.00 0.00 C ATOM 617 O SER A 42 8.302 0.167 -16.158 1.00 0.00 O ATOM 618 CB SER A 42 8.913 -2.311 -15.110 1.00 0.00 C ATOM 619 OG SER A 42 10.029 -2.219 -14.234 1.00 0.00 O ATOM 0 H SER A 42 5.995 -1.780 -15.716 1.00 0.00 H new ATOM 0 HA SER A 42 7.817 -1.412 -13.450 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.619 -3.353 -15.235 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.179 -1.934 -16.098 1.00 0.00 H new ATOM 0 HG SER A 42 10.776 -2.738 -14.600 1.00 0.00 H new ATOM 625 N PRO A 43 7.134 0.808 -14.376 1.00 0.00 N ATOM 626 CA PRO A 43 7.056 2.227 -14.804 1.00 0.00 C ATOM 627 C PRO A 43 8.422 2.905 -14.657 1.00 0.00 C ATOM 628 O PRO A 43 9.446 2.253 -14.607 1.00 0.00 O ATOM 629 CB PRO A 43 6.037 2.835 -13.844 1.00 0.00 C ATOM 630 CG PRO A 43 6.082 1.962 -12.631 1.00 0.00 C ATOM 631 CD PRO A 43 6.452 0.578 -13.097 1.00 0.00 C ATOM 0 HA PRO A 43 6.771 2.346 -15.849 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.292 3.866 -13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.040 2.849 -14.284 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.813 2.336 -11.914 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.116 1.953 -12.126 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.103 0.076 -12.381 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.570 -0.051 -13.221 1.00 0.00 H new ATOM 639 N SER A 44 8.445 4.208 -14.588 1.00 0.00 N ATOM 640 CA SER A 44 9.746 4.923 -14.444 1.00 0.00 C ATOM 641 C SER A 44 9.681 5.913 -13.278 1.00 0.00 C ATOM 642 O SER A 44 8.625 6.190 -12.744 1.00 0.00 O ATOM 643 CB SER A 44 9.938 5.664 -15.766 1.00 0.00 C ATOM 644 OG SER A 44 9.308 4.932 -16.809 1.00 0.00 O ATOM 0 H SER A 44 7.621 4.808 -14.625 1.00 0.00 H new ATOM 0 HA SER A 44 10.570 4.241 -14.235 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.513 6.665 -15.700 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.000 5.782 -15.979 1.00 0.00 H new ATOM 0 HG SER A 44 9.427 5.405 -17.659 1.00 0.00 H new ATOM 650 N GLU A 45 10.802 6.450 -12.881 1.00 0.00 N ATOM 651 CA GLU A 45 10.803 7.422 -11.750 1.00 0.00 C ATOM 652 C GLU A 45 9.655 8.422 -11.913 1.00 0.00 C ATOM 653 O GLU A 45 8.747 8.474 -11.107 1.00 0.00 O ATOM 654 CB GLU A 45 12.153 8.135 -11.842 1.00 0.00 C ATOM 655 CG GLU A 45 12.125 9.396 -10.976 1.00 0.00 C ATOM 656 CD GLU A 45 13.407 10.199 -11.201 1.00 0.00 C ATOM 657 OE1 GLU A 45 13.767 10.394 -12.350 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.008 10.605 -10.220 1.00 0.00 O ATOM 0 H GLU A 45 11.717 6.258 -13.290 1.00 0.00 H new ATOM 0 HA GLU A 45 10.665 6.934 -10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.950 7.470 -11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.368 8.397 -12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.255 10.003 -11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.033 9.125 -9.924 1.00 0.00 H new ATOM 665 N ALA A 46 9.688 9.214 -12.950 1.00 0.00 N ATOM 666 CA ALA A 46 8.597 10.208 -13.162 1.00 0.00 C ATOM 667 C ALA A 46 7.236 9.563 -12.884 1.00 0.00 C ATOM 668 O ALA A 46 6.431 10.087 -12.142 1.00 0.00 O ATOM 669 CB ALA A 46 8.710 10.612 -14.631 1.00 0.00 C ATOM 0 H ALA A 46 10.422 9.216 -13.659 1.00 0.00 H new ATOM 0 HA ALA A 46 8.684 11.067 -12.497 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.938 11.345 -14.867 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.692 11.048 -14.814 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.580 9.732 -15.261 1.00 0.00 H new ATOM 675 N GLU A 47 6.977 8.428 -13.474 1.00 0.00 N ATOM 676 CA GLU A 47 5.670 7.750 -13.242 1.00 0.00 C ATOM 677 C GLU A 47 5.442 7.547 -11.742 1.00 0.00 C ATOM 678 O GLU A 47 4.341 7.687 -11.247 1.00 0.00 O ATOM 679 CB GLU A 47 5.792 6.402 -13.954 1.00 0.00 C ATOM 680 CG GLU A 47 4.595 6.207 -14.887 1.00 0.00 C ATOM 681 CD GLU A 47 5.025 5.391 -16.107 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.215 5.163 -16.252 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.158 5.007 -16.874 1.00 0.00 O ATOM 0 H GLU A 47 7.613 7.941 -14.106 1.00 0.00 H new ATOM 0 HA GLU A 47 4.828 8.333 -13.616 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.721 6.362 -14.523 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.832 5.595 -13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.789 5.696 -14.360 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.205 7.175 -15.203 1.00 0.00 H new ATOM 690 N VAL A 48 6.475 7.220 -11.016 1.00 0.00 N ATOM 691 CA VAL A 48 6.319 7.010 -9.547 1.00 0.00 C ATOM 692 C VAL A 48 5.956 8.330 -8.861 1.00 0.00 C ATOM 693 O VAL A 48 5.046 8.395 -8.058 1.00 0.00 O ATOM 694 CB VAL A 48 7.684 6.515 -9.070 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.550 5.923 -7.665 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.201 5.441 -10.028 1.00 0.00 C ATOM 0 H VAL A 48 7.421 7.089 -11.375 1.00 0.00 H new ATOM 0 HA VAL A 48 5.525 6.301 -9.313 1.00 0.00 H new ATOM 0 HB VAL A 48 8.385 7.350 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.523 5.570 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.182 6.688 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.849 5.089 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.175 5.088 -9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.500 4.606 -10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.297 5.862 -11.029 1.00 0.00 H new ATOM 706 N ASN A 49 6.661 9.383 -9.172 1.00 0.00 N ATOM 707 CA ASN A 49 6.357 10.698 -8.538 1.00 0.00 C ATOM 708 C ASN A 49 4.858 10.995 -8.629 1.00 0.00 C ATOM 709 O ASN A 49 4.215 11.291 -7.642 1.00 0.00 O ATOM 710 CB ASN A 49 7.156 11.721 -9.347 1.00 0.00 C ATOM 711 CG ASN A 49 6.949 13.116 -8.753 1.00 0.00 C ATOM 712 OD1 ASN A 49 5.970 13.774 -9.046 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.835 13.598 -7.926 1.00 0.00 N ATOM 0 H ASN A 49 7.434 9.390 -9.837 1.00 0.00 H new ATOM 0 HA ASN A 49 6.621 10.718 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.215 11.463 -9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.836 11.707 -10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.706 14.527 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.657 13.046 -7.680 1.00 0.00 H new ATOM 720 N ASP A 50 4.298 10.917 -9.804 1.00 0.00 N ATOM 721 CA ASP A 50 2.841 11.193 -9.956 1.00 0.00 C ATOM 722 C ASP A 50 2.021 10.140 -9.206 1.00 0.00 C ATOM 723 O ASP A 50 1.047 10.449 -8.548 1.00 0.00 O ATOM 724 CB ASP A 50 2.576 11.110 -11.460 1.00 0.00 C ATOM 725 CG ASP A 50 2.186 12.491 -11.987 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.159 12.997 -11.565 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.922 13.021 -12.805 1.00 0.00 O ATOM 0 H ASP A 50 4.786 10.674 -10.666 1.00 0.00 H new ATOM 0 HA ASP A 50 2.560 12.163 -9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.465 10.750 -11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.779 10.394 -11.660 1.00 0.00 H new ATOM 732 N LEU A 51 2.408 8.897 -9.300 1.00 0.00 N ATOM 733 CA LEU A 51 1.651 7.825 -8.593 1.00 0.00 C ATOM 734 C LEU A 51 1.601 8.116 -7.090 1.00 0.00 C ATOM 735 O LEU A 51 0.573 7.983 -6.457 1.00 0.00 O ATOM 736 CB LEU A 51 2.435 6.540 -8.864 1.00 0.00 C ATOM 737 CG LEU A 51 2.171 6.074 -10.297 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.255 5.081 -10.719 1.00 0.00 C ATOM 739 CD2 LEU A 51 0.803 5.394 -10.366 1.00 0.00 C ATOM 0 H LEU A 51 3.215 8.578 -9.836 1.00 0.00 H new ATOM 0 HA LEU A 51 0.619 7.753 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.501 6.714 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.138 5.765 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 51 2.185 6.933 -10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.067 4.749 -11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.231 5.564 -10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.241 4.221 -10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.613 5.061 -11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.790 4.535 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.030 6.101 -10.065 1.00 0.00 H new ATOM 751 N MET A 52 2.703 8.511 -6.515 1.00 0.00 N ATOM 752 CA MET A 52 2.718 8.811 -5.055 1.00 0.00 C ATOM 753 C MET A 52 2.004 10.136 -4.779 1.00 0.00 C ATOM 754 O MET A 52 1.120 10.215 -3.949 1.00 0.00 O ATOM 755 CB MET A 52 4.198 8.912 -4.686 1.00 0.00 C ATOM 756 CG MET A 52 4.643 7.622 -3.995 1.00 0.00 C ATOM 757 SD MET A 52 4.760 7.901 -2.210 1.00 0.00 S ATOM 758 CE MET A 52 3.239 7.038 -1.745 1.00 0.00 C ATOM 0 H MET A 52 3.595 8.639 -6.993 1.00 0.00 H new ATOM 0 HA MET A 52 2.204 8.047 -4.472 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.796 9.082 -5.581 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.362 9.765 -4.027 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.932 6.822 -4.203 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.608 7.301 -4.387 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.119 7.071 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.386 7.523 -2.220 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.295 6.000 -2.073 1.00 0.00 H new ATOM 768 N ASN A 53 2.381 11.179 -5.468 1.00 0.00 N ATOM 769 CA ASN A 53 1.722 12.498 -5.244 1.00 0.00 C ATOM 770 C ASN A 53 0.199 12.340 -5.267 1.00 0.00 C ATOM 771 O ASN A 53 -0.525 13.127 -4.692 1.00 0.00 O ATOM 772 CB ASN A 53 2.188 13.375 -6.407 1.00 0.00 C ATOM 773 CG ASN A 53 3.102 14.480 -5.878 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.157 14.207 -5.341 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.741 15.728 -6.009 1.00 0.00 N ATOM 0 H ASN A 53 3.116 11.175 -6.175 1.00 0.00 H new ATOM 0 HA ASN A 53 1.981 12.930 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.719 12.770 -7.142 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.328 13.812 -6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.345 16.473 -5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.855 15.958 -6.460 1.00 0.00 H new ATOM 782 N GLU A 54 -0.292 11.326 -5.927 1.00 0.00 N ATOM 783 CA GLU A 54 -1.767 11.119 -5.986 1.00 0.00 C ATOM 784 C GLU A 54 -2.249 10.386 -4.731 1.00 0.00 C ATOM 785 O GLU A 54 -3.430 10.172 -4.540 1.00 0.00 O ATOM 786 CB GLU A 54 -1.997 10.261 -7.230 1.00 0.00 C ATOM 787 CG GLU A 54 -2.097 11.163 -8.462 1.00 0.00 C ATOM 788 CD GLU A 54 -1.405 10.488 -9.647 1.00 0.00 C ATOM 789 OE1 GLU A 54 -1.240 9.279 -9.602 1.00 0.00 O ATOM 790 OE2 GLU A 54 -1.052 11.190 -10.580 1.00 0.00 O ATOM 0 H GLU A 54 0.264 10.633 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.315 12.060 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.179 9.551 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.911 9.678 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.143 11.356 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.633 12.128 -8.258 1.00 0.00 H new ATOM 797 N ILE A 55 -1.343 9.999 -3.874 1.00 0.00 N ATOM 798 CA ILE A 55 -1.750 9.280 -2.633 1.00 0.00 C ATOM 799 C ILE A 55 -0.865 9.708 -1.459 1.00 0.00 C ATOM 800 O ILE A 55 -1.344 10.002 -0.383 1.00 0.00 O ATOM 801 CB ILE A 55 -1.544 7.799 -2.948 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.708 6.979 -1.666 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.139 7.587 -3.512 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.292 5.530 -1.930 1.00 0.00 C ATOM 0 H ILE A 55 -0.340 10.150 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.780 9.497 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.282 7.478 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.098 7.404 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.744 7.015 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.007 6.530 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.021 8.172 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.600 7.908 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.409 4.946 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.921 5.108 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.250 5.503 -2.247 1.00 0.00 H new ATOM 816 N ASP A 56 0.424 9.745 -1.659 1.00 0.00 N ATOM 817 CA ASP A 56 1.338 10.154 -0.554 1.00 0.00 C ATOM 818 C ASP A 56 0.862 11.470 0.067 1.00 0.00 C ATOM 819 O ASP A 56 0.572 12.426 -0.627 1.00 0.00 O ATOM 820 CB ASP A 56 2.703 10.337 -1.217 1.00 0.00 C ATOM 821 CG ASP A 56 3.798 10.311 -0.149 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.145 9.226 0.289 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.270 11.376 0.214 1.00 0.00 O ATOM 0 H ASP A 56 0.884 9.510 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 56 1.370 9.418 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.873 9.545 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.732 11.282 -1.759 1.00 0.00 H new ATOM 828 N VAL A 57 0.779 11.527 1.367 1.00 0.00 N ATOM 829 CA VAL A 57 0.322 12.783 2.031 1.00 0.00 C ATOM 830 C VAL A 57 1.526 13.597 2.508 1.00 0.00 C ATOM 831 O VAL A 57 1.419 14.774 2.792 1.00 0.00 O ATOM 832 CB VAL A 57 -0.517 12.317 3.221 1.00 0.00 C ATOM 833 CG1 VAL A 57 0.392 11.659 4.260 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.219 13.523 3.850 1.00 0.00 C ATOM 0 H VAL A 57 1.007 10.760 1.999 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.246 13.424 1.357 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.261 11.597 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.206 11.327 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.895 10.802 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.136 12.379 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.818 13.193 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.473 14.242 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.866 13.994 3.110 1.00 0.00 H new ATOM 844 N ASP A 58 2.673 12.981 2.600 1.00 0.00 N ATOM 845 CA ASP A 58 3.884 13.721 3.058 1.00 0.00 C ATOM 846 C ASP A 58 5.127 12.839 2.918 1.00 0.00 C ATOM 847 O ASP A 58 5.807 12.863 1.911 1.00 0.00 O ATOM 848 CB ASP A 58 3.617 14.043 4.529 1.00 0.00 C ATOM 849 CG ASP A 58 3.196 15.508 4.663 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.935 16.360 4.197 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.143 15.752 5.230 1.00 0.00 O ATOM 0 H ASP A 58 2.824 11.997 2.378 1.00 0.00 H new ATOM 0 HA ASP A 58 4.066 14.621 2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.835 13.392 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.512 13.855 5.122 1.00 0.00 H new ATOM 856 N GLY A 59 5.430 12.061 3.921 1.00 0.00 N ATOM 857 CA GLY A 59 6.628 11.178 3.844 1.00 0.00 C ATOM 858 C GLY A 59 6.186 9.714 3.840 1.00 0.00 C ATOM 859 O GLY A 59 6.111 9.081 2.807 1.00 0.00 O ATOM 0 H GLY A 59 4.900 11.999 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.198 11.399 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.287 11.367 4.691 1.00 0.00 H new ATOM 863 N ASN A 60 5.893 9.171 4.990 1.00 0.00 N ATOM 864 CA ASN A 60 5.455 7.746 5.052 1.00 0.00 C ATOM 865 C ASN A 60 3.939 7.668 5.249 1.00 0.00 C ATOM 866 O ASN A 60 3.295 8.644 5.579 1.00 0.00 O ATOM 867 CB ASN A 60 6.184 7.160 6.262 1.00 0.00 C ATOM 868 CG ASN A 60 6.617 5.726 5.952 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.874 4.970 5.358 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.796 5.317 6.332 1.00 0.00 N ATOM 0 H ASN A 60 5.938 9.651 5.889 1.00 0.00 H new ATOM 0 HA ASN A 60 5.685 7.202 4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.054 7.769 6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.531 7.173 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.094 4.363 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.420 5.952 6.831 1.00 0.00 H new ATOM 877 N HIS A 61 3.363 6.514 5.048 1.00 0.00 N ATOM 878 CA HIS A 61 1.889 6.376 5.223 1.00 0.00 C ATOM 879 C HIS A 61 1.462 4.923 4.996 1.00 0.00 C ATOM 880 O HIS A 61 2.201 4.126 4.453 1.00 0.00 O ATOM 881 CB HIS A 61 1.277 7.289 4.159 1.00 0.00 C ATOM 882 CG HIS A 61 1.456 6.669 2.800 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.369 5.652 2.565 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.846 6.909 1.593 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.284 5.322 1.264 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.370 6.057 0.625 1.00 0.00 N ATOM 0 H HIS A 61 3.849 5.661 4.770 1.00 0.00 H new ATOM 0 HA HIS A 61 1.565 6.647 6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.217 7.443 4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.753 8.269 4.189 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.992 5.231 3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.076 7.647 1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.882 4.556 0.793 1.00 0.00 H new ATOM 894 N GLN A 62 0.274 4.574 5.406 1.00 0.00 N ATOM 895 CA GLN A 62 -0.200 3.173 5.210 1.00 0.00 C ATOM 896 C GLN A 62 -1.093 3.087 3.971 1.00 0.00 C ATOM 897 O GLN A 62 -2.235 3.503 3.987 1.00 0.00 O ATOM 898 CB GLN A 62 -0.999 2.845 6.472 1.00 0.00 C ATOM 899 CG GLN A 62 -0.065 2.846 7.684 1.00 0.00 C ATOM 900 CD GLN A 62 -0.654 3.732 8.783 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.034 4.687 9.207 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.835 3.454 9.264 1.00 0.00 N ATOM 0 H GLN A 62 -0.389 5.197 5.868 1.00 0.00 H new ATOM 0 HA GLN A 62 0.623 2.475 5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.794 3.577 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.477 1.871 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.068 1.830 8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.921 3.212 7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.355 2.652 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.238 4.039 9.996 1.00 0.00 H new ATOM 911 N ILE A 63 -0.582 2.554 2.895 1.00 0.00 N ATOM 912 CA ILE A 63 -1.403 2.445 1.655 1.00 0.00 C ATOM 913 C ILE A 63 -2.510 1.404 1.840 1.00 0.00 C ATOM 914 O ILE A 63 -2.414 0.522 2.670 1.00 0.00 O ATOM 915 CB ILE A 63 -0.423 1.997 0.571 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.665 3.059 0.398 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.172 1.814 -0.751 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.596 2.653 -0.745 1.00 0.00 C ATOM 0 H ILE A 63 0.368 2.189 2.821 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.893 3.385 1.401 1.00 0.00 H new ATOM 0 HB ILE A 63 0.034 1.052 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.212 4.028 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.232 3.168 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.473 1.495 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.948 1.058 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.630 2.759 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.371 3.409 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.059 1.693 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.023 2.567 -1.668 1.00 0.00 H new ATOM 930 N GLU A 64 -3.560 1.500 1.073 1.00 0.00 N ATOM 931 CA GLU A 64 -4.672 0.516 1.202 1.00 0.00 C ATOM 932 C GLU A 64 -4.882 -0.219 -0.125 1.00 0.00 C ATOM 933 O GLU A 64 -4.974 0.388 -1.172 1.00 0.00 O ATOM 934 CB GLU A 64 -5.904 1.353 1.553 1.00 0.00 C ATOM 935 CG GLU A 64 -6.522 0.832 2.851 1.00 0.00 C ATOM 936 CD GLU A 64 -8.000 0.511 2.620 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.276 -0.514 2.016 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.831 1.294 3.048 1.00 0.00 O ATOM 0 H GLU A 64 -3.697 2.218 0.361 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.467 -0.243 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.625 2.401 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.633 1.303 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.993 -0.060 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.420 1.577 3.640 1.00 0.00 H new ATOM 945 N PHE A 65 -4.957 -1.521 -0.087 1.00 0.00 N ATOM 946 CA PHE A 65 -5.159 -2.292 -1.347 1.00 0.00 C ATOM 947 C PHE A 65 -6.214 -1.609 -2.221 1.00 0.00 C ATOM 948 O PHE A 65 -6.140 -1.632 -3.434 1.00 0.00 O ATOM 949 CB PHE A 65 -5.645 -3.669 -0.896 1.00 0.00 C ATOM 950 CG PHE A 65 -5.785 -4.571 -2.099 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.698 -4.764 -2.958 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.002 -5.213 -2.354 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.828 -5.600 -4.074 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.133 -6.048 -3.469 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.045 -6.242 -4.329 1.00 0.00 C ATOM 0 H PHE A 65 -4.887 -2.084 0.761 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.248 -2.357 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.941 -4.100 -0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.602 -3.579 -0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.759 -4.269 -2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.840 -5.064 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.989 -5.749 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.073 -6.543 -3.666 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.145 -6.887 -5.189 1.00 0.00 H new ATOM 965 N SER A 66 -7.198 -1.002 -1.615 1.00 0.00 N ATOM 966 CA SER A 66 -8.257 -0.320 -2.411 1.00 0.00 C ATOM 967 C SER A 66 -7.659 0.853 -3.193 1.00 0.00 C ATOM 968 O SER A 66 -7.331 0.732 -4.357 1.00 0.00 O ATOM 969 CB SER A 66 -9.266 0.183 -1.380 1.00 0.00 C ATOM 970 OG SER A 66 -10.457 -0.588 -1.474 1.00 0.00 O ATOM 0 H SER A 66 -7.314 -0.949 -0.603 1.00 0.00 H new ATOM 0 HA SER A 66 -8.718 -0.986 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.847 0.106 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.486 1.236 -1.553 1.00 0.00 H new ATOM 0 HG SER A 66 -11.106 -0.269 -0.813 1.00 0.00 H new ATOM 976 N GLU A 67 -7.516 1.987 -2.564 1.00 0.00 N ATOM 977 CA GLU A 67 -6.939 3.165 -3.273 1.00 0.00 C ATOM 978 C GLU A 67 -5.736 2.737 -4.117 1.00 0.00 C ATOM 979 O GLU A 67 -5.517 3.237 -5.203 1.00 0.00 O ATOM 980 CB GLU A 67 -6.503 4.123 -2.164 1.00 0.00 C ATOM 981 CG GLU A 67 -5.595 3.384 -1.179 1.00 0.00 C ATOM 982 CD GLU A 67 -4.131 3.650 -1.537 1.00 0.00 C ATOM 983 OE1 GLU A 67 -3.844 3.776 -2.716 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.323 3.721 -0.627 1.00 0.00 O ATOM 0 H GLU A 67 -7.773 2.149 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.655 3.628 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.976 4.976 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.377 4.517 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.798 3.717 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.800 2.314 -1.211 1.00 0.00 H new ATOM 991 N PHE A 68 -4.956 1.813 -3.628 1.00 0.00 N ATOM 992 CA PHE A 68 -3.768 1.352 -4.403 1.00 0.00 C ATOM 993 C PHE A 68 -4.175 1.019 -5.841 1.00 0.00 C ATOM 994 O PHE A 68 -3.684 1.603 -6.787 1.00 0.00 O ATOM 995 CB PHE A 68 -3.284 0.096 -3.677 1.00 0.00 C ATOM 996 CG PHE A 68 -2.327 -0.666 -4.564 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.570 0.013 -5.526 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.200 -2.053 -4.424 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.684 -0.695 -6.346 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.314 -2.761 -5.246 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.556 -2.082 -6.206 1.00 0.00 C ATOM 0 H PHE A 68 -5.089 1.357 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.990 2.113 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.791 0.370 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.133 -0.535 -3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.670 1.083 -5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.785 -2.577 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.099 -0.171 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.216 -3.831 -5.139 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.128 -2.628 -6.839 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.070 0.084 -6.012 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.508 -0.287 -7.388 1.00 0.00 C ATOM 1013 C LEU A 69 -6.462 0.775 -7.942 1.00 0.00 C ATOM 1014 O LEU A 69 -6.397 1.139 -9.100 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.228 -1.625 -7.225 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.228 -2.770 -7.391 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -3.976 -2.484 -6.559 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.866 -4.077 -6.913 1.00 0.00 C ATOM 0 H LEU A 69 -5.517 -0.439 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.673 -0.357 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.698 -1.679 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.024 -1.714 -7.965 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.953 -2.859 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.265 -3.301 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.520 -1.553 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.250 -2.393 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.154 -4.894 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.141 -3.985 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.757 -4.284 -7.505 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.347 1.274 -7.126 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.303 2.312 -7.606 1.00 0.00 C ATOM 1032 C ALA A 70 -7.549 3.425 -8.338 1.00 0.00 C ATOM 1033 O ALA A 70 -8.098 4.114 -9.175 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.967 2.855 -6.341 1.00 0.00 C ATOM 0 H ALA A 70 -7.450 1.008 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.034 1.909 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.687 3.627 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.480 2.045 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.207 3.281 -5.685 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.296 3.608 -8.027 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.507 4.677 -8.704 1.00 0.00 C ATOM 1042 C LEU A 71 -4.535 4.059 -9.714 1.00 0.00 C ATOM 1043 O LEU A 71 -4.408 4.523 -10.830 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.741 5.376 -7.581 1.00 0.00 C ATOM 1045 CG LEU A 71 -5.629 6.449 -6.949 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -6.889 5.798 -6.376 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -4.860 7.147 -5.825 1.00 0.00 C ATOM 0 H LEU A 71 -5.783 3.064 -7.333 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.141 5.370 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.437 4.650 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.830 5.828 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.911 7.180 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.521 6.563 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.437 5.299 -7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.608 5.067 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.491 7.912 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.578 6.415 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.962 7.611 -6.232 1.00 0.00 H new ATOM 1059 N MET A 72 -3.849 3.018 -9.330 1.00 0.00 N ATOM 1060 CA MET A 72 -2.886 2.373 -10.268 1.00 0.00 C ATOM 1061 C MET A 72 -3.520 2.219 -11.654 1.00 0.00 C ATOM 1062 O MET A 72 -2.839 2.199 -12.660 1.00 0.00 O ATOM 1063 CB MET A 72 -2.593 1.003 -9.657 1.00 0.00 C ATOM 1064 CG MET A 72 -1.081 0.816 -9.520 1.00 0.00 C ATOM 1065 SD MET A 72 -0.318 0.842 -11.161 1.00 0.00 S ATOM 1066 CE MET A 72 -0.409 -0.936 -11.481 1.00 0.00 C ATOM 0 H MET A 72 -3.913 2.586 -8.408 1.00 0.00 H new ATOM 0 HA MET A 72 -1.979 2.963 -10.398 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.070 0.919 -8.681 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.012 0.216 -10.285 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.661 1.607 -8.899 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.864 -0.129 -9.022 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.590 -1.368 -11.421 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.053 -1.407 -10.738 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.819 -1.106 -12.477 1.00 0.00 H new ATOM 1076 N SER A 73 -4.819 2.111 -11.713 1.00 0.00 N ATOM 1077 CA SER A 73 -5.495 1.958 -13.034 1.00 0.00 C ATOM 1078 C SER A 73 -5.226 3.184 -13.911 1.00 0.00 C ATOM 1079 O SER A 73 -5.483 3.177 -15.099 1.00 0.00 O ATOM 1080 CB SER A 73 -6.984 1.849 -12.705 1.00 0.00 C ATOM 1081 OG SER A 73 -7.262 2.605 -11.534 1.00 0.00 O ATOM 0 H SER A 73 -5.442 2.122 -10.905 1.00 0.00 H new ATOM 0 HA SER A 73 -5.135 1.089 -13.585 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.581 2.217 -13.540 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.259 0.805 -12.552 1.00 0.00 H new ATOM 0 HG SER A 73 -8.231 2.649 -11.395 1.00 0.00 H new