USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 508 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl 164:sc= -0.0195 (180deg=-0.403) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.88 USER MOD Set 2.2: A 56 THR OG1 : rot 81:sc= 1.01 USER MOD Set 3.1: A 37 SER OG : rot 170:sc= 0.147 USER MOD Set 3.2: A 40 ASN : amide:sc= 0 X(o=0.15,f=-0.24) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= 0.195 USER MOD Set 4.2: A 16 SER OG : rot 96:sc= 0.15 USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 17 CYS SG : rot -80:sc= 0.0401 USER MOD Set 6.1: A 3 GLN : amide:sc= 0.585 K(o=1.6,f=0.62) USER MOD Set 6.2: A 47 TYR OH : rot 133:sc= 0.973 USER MOD Single : A 2 THR OG1 : rot -36:sc= 0.133 USER MOD Single : A 5 THR OG1 : rot -170:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -133:sc= -0.193 (180deg=-0.295) USER MOD Single : A 15 ASN : amide:sc=-0.00207 X(o=-0.0021,f=0) USER MOD Single : A 19 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 26 SER OG : rot -56:sc= 0.721 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 177:sc=-0.00403 (180deg=-0.0146) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00105 USER MOD Single : A 41 SER OG : rot 12:sc= 0.758 USER MOD Single : A 42 ASN : amide:sc= -0.495 K(o=-0.5,f=-2.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 5.736 -15.095 -3.147 1.00 0.00 N ATOM 23 CA THR A 2 5.434 -13.679 -2.983 1.00 0.00 C ATOM 24 C THR A 2 4.796 -13.127 -4.259 1.00 0.00 C ATOM 25 O THR A 2 4.911 -13.725 -5.329 1.00 0.00 O ATOM 26 CB THR A 2 6.707 -12.896 -2.626 1.00 0.00 C ATOM 27 OG1 THR A 2 7.708 -13.122 -3.597 1.00 0.00 O ATOM 28 CG2 THR A 2 7.244 -13.282 -1.245 1.00 0.00 C ATOM 0 HA THR A 2 4.725 -13.563 -2.164 1.00 0.00 H new ATOM 0 HB THR A 2 6.442 -11.839 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.658 -14.050 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.144 -12.706 -1.031 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.489 -13.070 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.482 -14.346 -1.231 1.00 0.00 H new ATOM 36 N GLN A 3 4.123 -11.979 -4.129 1.00 0.00 N ATOM 37 CA GLN A 3 3.500 -11.234 -5.214 1.00 0.00 C ATOM 38 C GLN A 3 3.688 -9.738 -4.953 1.00 0.00 C ATOM 39 O GLN A 3 4.071 -9.340 -3.853 1.00 0.00 O ATOM 40 CB GLN A 3 2.005 -11.574 -5.297 1.00 0.00 C ATOM 41 CG GLN A 3 1.751 -12.973 -5.868 1.00 0.00 C ATOM 42 CD GLN A 3 0.261 -13.295 -5.990 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.594 -12.542 -5.530 1.00 0.00 O ATOM 44 NE2 GLN A 3 -0.055 -14.433 -6.612 1.00 0.00 N ATOM 0 H GLN A 3 3.995 -11.529 -3.223 1.00 0.00 H new ATOM 0 HA GLN A 3 3.965 -11.503 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.565 -11.506 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.502 -10.834 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.218 -13.051 -6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.228 -13.715 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.682 -15.034 -6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.033 -14.702 -6.718 1.00 0.00 H new ATOM 53 N GLU A 4 3.415 -8.919 -5.976 1.00 0.00 N ATOM 54 CA GLU A 4 3.483 -7.466 -5.912 1.00 0.00 C ATOM 55 C GLU A 4 2.182 -6.869 -6.445 1.00 0.00 C ATOM 56 O GLU A 4 1.498 -7.496 -7.253 1.00 0.00 O ATOM 57 CB GLU A 4 4.687 -6.951 -6.713 1.00 0.00 C ATOM 58 CG GLU A 4 6.012 -7.459 -6.133 1.00 0.00 C ATOM 59 CD GLU A 4 7.207 -6.817 -6.828 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.525 -7.272 -7.949 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.781 -5.882 -6.229 1.00 0.00 O ATOM 0 H GLU A 4 3.134 -9.265 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 4 3.612 -7.158 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.597 -7.271 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.684 -5.861 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.050 -7.242 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.066 -8.542 -6.240 1.00 0.00 H new ATOM 68 N THR A 5 1.844 -5.659 -5.985 1.00 0.00 N ATOM 69 CA THR A 5 0.644 -4.942 -6.393 1.00 0.00 C ATOM 70 C THR A 5 0.901 -3.436 -6.374 1.00 0.00 C ATOM 71 O THR A 5 1.626 -2.940 -5.512 1.00 0.00 O ATOM 72 CB THR A 5 -0.544 -5.330 -5.496 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.709 -4.669 -5.942 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.318 -4.994 -4.016 1.00 0.00 C ATOM 0 H THR A 5 2.410 -5.147 -5.308 1.00 0.00 H new ATOM 0 HA THR A 5 0.387 -5.223 -7.414 1.00 0.00 H new ATOM 0 HB THR A 5 -0.653 -6.412 -5.571 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.425 -4.789 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.192 -5.292 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.559 -5.529 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.160 -3.921 -3.907 1.00 0.00 H new ATOM 82 N VAL A 6 0.290 -2.724 -7.330 1.00 0.00 N ATOM 83 CA VAL A 6 0.284 -1.272 -7.410 1.00 0.00 C ATOM 84 C VAL A 6 -1.118 -0.812 -7.015 1.00 0.00 C ATOM 85 O VAL A 6 -2.071 -0.986 -7.775 1.00 0.00 O ATOM 86 CB VAL A 6 0.674 -0.803 -8.823 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.661 0.731 -8.902 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.078 -1.300 -9.192 1.00 0.00 C ATOM 0 H VAL A 6 -0.228 -3.165 -8.090 1.00 0.00 H new ATOM 0 HA VAL A 6 1.020 -0.834 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.054 -1.216 -9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.939 1.046 -9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.338 1.099 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.373 1.138 -8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.333 -0.957 -10.195 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.802 -0.907 -8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.097 -2.390 -9.165 1.00 0.00 H new ATOM 98 N ILE A 7 -1.230 -0.231 -5.818 1.00 0.00 N ATOM 99 CA ILE A 7 -2.472 0.277 -5.264 1.00 0.00 C ATOM 100 C ILE A 7 -2.468 1.785 -5.492 1.00 0.00 C ATOM 101 O ILE A 7 -1.617 2.477 -4.948 1.00 0.00 O ATOM 102 CB ILE A 7 -2.566 -0.071 -3.765 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.326 -1.577 -3.546 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.937 0.358 -3.223 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.462 -2.015 -2.085 1.00 0.00 C ATOM 0 H ILE A 7 -0.432 -0.101 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.341 -0.173 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.793 0.469 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.034 -2.141 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.328 -1.832 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.003 0.112 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.060 1.433 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.723 -0.166 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.280 -3.087 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.735 -1.478 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.468 -1.792 -1.730 1.00 0.00 H new ATOM 117 N ASN A 8 -3.404 2.299 -6.292 1.00 0.00 N ATOM 118 CA ASN A 8 -3.570 3.727 -6.517 1.00 0.00 C ATOM 119 C ASN A 8 -4.261 4.321 -5.292 1.00 0.00 C ATOM 120 O ASN A 8 -5.361 3.889 -4.954 1.00 0.00 O ATOM 121 CB ASN A 8 -4.390 3.965 -7.790 1.00 0.00 C ATOM 122 CG ASN A 8 -3.737 3.290 -8.992 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.824 3.844 -9.600 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.196 2.084 -9.328 1.00 0.00 N ATOM 0 H ASN A 8 -4.073 1.725 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.603 4.211 -6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.400 3.578 -7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.481 5.035 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.787 1.584 -10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.956 1.661 -8.795 1.00 0.00 H new ATOM 131 N ILE A 9 -3.610 5.285 -4.628 1.00 0.00 N ATOM 132 CA ILE A 9 -4.068 5.879 -3.378 1.00 0.00 C ATOM 133 C ILE A 9 -4.402 7.345 -3.646 1.00 0.00 C ATOM 134 O ILE A 9 -3.503 8.152 -3.876 1.00 0.00 O ATOM 135 CB ILE A 9 -3.003 5.742 -2.269 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.536 4.286 -2.103 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.582 6.259 -0.941 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.406 4.139 -1.081 1.00 0.00 C ATOM 0 H ILE A 9 -2.729 5.679 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.955 5.355 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.135 6.336 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.381 3.671 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.200 3.905 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.832 6.164 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.862 7.307 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.462 5.674 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.118 3.091 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.547 4.730 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.747 4.492 -0.108 1.00 0.00 H new ATOM 150 N ASP A 10 -5.694 7.682 -3.594 1.00 0.00 N ATOM 151 CA ASP A 10 -6.184 9.047 -3.693 1.00 0.00 C ATOM 152 C ASP A 10 -6.483 9.563 -2.283 1.00 0.00 C ATOM 153 O ASP A 10 -6.867 8.795 -1.402 1.00 0.00 O ATOM 154 CB ASP A 10 -7.420 9.076 -4.602 1.00 0.00 C ATOM 155 CG ASP A 10 -8.094 10.445 -4.611 1.00 0.00 C ATOM 156 OD1 ASP A 10 -7.463 11.386 -5.140 1.00 0.00 O ATOM 157 OD2 ASP A 10 -9.224 10.528 -4.082 1.00 0.00 O ATOM 0 H ASP A 10 -6.439 6.994 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.437 9.703 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.129 8.809 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.134 8.323 -4.267 1.00 0.00 H new ATOM 162 N GLY A 11 -6.287 10.871 -2.077 1.00 0.00 N ATOM 163 CA GLY A 11 -6.480 11.538 -0.799 1.00 0.00 C ATOM 164 C GLY A 11 -5.164 11.805 -0.062 1.00 0.00 C ATOM 165 O GLY A 11 -5.200 12.292 1.067 1.00 0.00 O ATOM 0 H GLY A 11 -5.983 11.504 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.997 12.483 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.126 10.926 -0.169 1.00 0.00 H new ATOM 169 N MET A 12 -4.009 11.511 -0.678 1.00 0.00 N ATOM 170 CA MET A 12 -2.712 11.844 -0.106 1.00 0.00 C ATOM 171 C MET A 12 -2.445 13.322 -0.373 1.00 0.00 C ATOM 172 O MET A 12 -2.247 13.723 -1.518 1.00 0.00 O ATOM 173 CB MET A 12 -1.602 10.958 -0.688 1.00 0.00 C ATOM 174 CG MET A 12 -1.810 9.490 -0.306 1.00 0.00 C ATOM 175 SD MET A 12 -0.376 8.406 -0.546 1.00 0.00 S ATOM 176 CE MET A 12 -0.129 8.572 -2.326 1.00 0.00 C ATOM 0 H MET A 12 -3.956 11.039 -1.581 1.00 0.00 H new ATOM 0 HA MET A 12 -2.720 11.659 0.968 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.586 11.056 -1.774 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.633 11.298 -0.323 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.106 9.445 0.742 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.642 9.096 -0.889 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.006 7.585 -2.768 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.000 9.052 -2.771 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.756 9.179 -2.515 1.00 0.00 H new ATOM 186 N THR A 13 -2.460 14.128 0.692 1.00 0.00 N ATOM 187 CA THR A 13 -2.356 15.576 0.612 1.00 0.00 C ATOM 188 C THR A 13 -0.894 16.016 0.536 1.00 0.00 C ATOM 189 O THR A 13 -0.582 16.952 -0.199 1.00 0.00 O ATOM 190 CB THR A 13 -3.057 16.221 1.818 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.521 15.733 3.032 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.567 15.963 1.794 1.00 0.00 C ATOM 0 H THR A 13 -2.546 13.781 1.647 1.00 0.00 H new ATOM 0 HA THR A 13 -2.851 15.909 -0.300 1.00 0.00 H new ATOM 0 HB THR A 13 -2.884 17.295 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.980 16.158 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.030 16.433 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.993 16.382 0.883 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.753 14.889 1.821 1.00 0.00 H new ATOM 200 N CYS A 14 -0.004 15.359 1.292 1.00 0.00 N ATOM 201 CA CYS A 14 1.402 15.752 1.365 1.00 0.00 C ATOM 202 C CYS A 14 2.274 14.564 1.787 1.00 0.00 C ATOM 203 O CYS A 14 1.771 13.462 2.009 1.00 0.00 O ATOM 204 CB CYS A 14 1.562 16.948 2.322 1.00 0.00 C ATOM 205 SG CYS A 14 1.424 16.471 4.057 1.00 0.00 S ATOM 0 H CYS A 14 -0.239 14.548 1.864 1.00 0.00 H new ATOM 0 HA CYS A 14 1.739 16.064 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.532 17.416 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.803 17.696 2.093 1.00 0.00 H new ATOM 0 HG CYS A 14 1.570 17.521 4.809 1.00 0.00 H new ATOM 210 N ASN A 15 3.587 14.805 1.900 1.00 0.00 N ATOM 211 CA ASN A 15 4.599 13.809 2.237 1.00 0.00 C ATOM 212 C ASN A 15 4.301 13.073 3.548 1.00 0.00 C ATOM 213 O ASN A 15 4.638 11.899 3.674 1.00 0.00 O ATOM 214 CB ASN A 15 5.974 14.485 2.293 1.00 0.00 C ATOM 215 CG ASN A 15 7.093 13.472 2.531 1.00 0.00 C ATOM 216 OD1 ASN A 15 7.591 12.865 1.586 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.492 13.284 3.791 1.00 0.00 N ATOM 0 H ASN A 15 3.982 15.734 1.753 1.00 0.00 H new ATOM 0 HA ASN A 15 4.588 13.049 1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.157 15.016 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.981 15.229 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.236 12.617 3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.053 13.808 4.548 1.00 0.00 H new ATOM 224 N SER A 16 3.674 13.744 4.521 1.00 0.00 N ATOM 225 CA SER A 16 3.270 13.137 5.783 1.00 0.00 C ATOM 226 C SER A 16 2.434 11.872 5.559 1.00 0.00 C ATOM 227 O SER A 16 2.611 10.889 6.275 1.00 0.00 O ATOM 228 CB SER A 16 2.494 14.154 6.623 1.00 0.00 C ATOM 229 OG SER A 16 3.250 15.338 6.766 1.00 0.00 O ATOM 0 H SER A 16 3.433 14.732 4.448 1.00 0.00 H new ATOM 0 HA SER A 16 4.170 12.840 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.539 14.378 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.271 13.734 7.604 1.00 0.00 H new ATOM 0 HG SER A 16 2.969 15.989 6.090 1.00 0.00 H new ATOM 235 N CYS A 17 1.536 11.891 4.565 1.00 0.00 N ATOM 236 CA CYS A 17 0.711 10.740 4.223 1.00 0.00 C ATOM 237 C CYS A 17 1.577 9.612 3.669 1.00 0.00 C ATOM 238 O CYS A 17 1.441 8.473 4.105 1.00 0.00 O ATOM 239 CB CYS A 17 -0.365 11.125 3.207 1.00 0.00 C ATOM 240 SG CYS A 17 -1.478 12.454 3.723 1.00 0.00 S ATOM 0 H CYS A 17 1.366 12.708 3.979 1.00 0.00 H new ATOM 0 HA CYS A 17 0.218 10.393 5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.125 11.423 2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.962 10.241 2.982 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.391 11.973 4.514 1.00 0.00 H new ATOM 245 N VAL A 18 2.467 9.931 2.719 1.00 0.00 N ATOM 246 CA VAL A 18 3.390 8.978 2.111 1.00 0.00 C ATOM 247 C VAL A 18 4.169 8.243 3.205 1.00 0.00 C ATOM 248 O VAL A 18 4.156 7.014 3.260 1.00 0.00 O ATOM 249 CB VAL A 18 4.335 9.705 1.134 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.378 8.759 0.530 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.549 10.349 -0.013 1.00 0.00 C ATOM 0 H VAL A 18 2.563 10.877 2.349 1.00 0.00 H new ATOM 0 HA VAL A 18 2.828 8.238 1.540 1.00 0.00 H new ATOM 0 HB VAL A 18 4.845 10.471 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.022 9.315 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.982 8.326 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.873 7.962 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.239 10.855 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.006 9.578 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.841 11.072 0.392 1.00 0.00 H new ATOM 261 N GLN A 19 4.828 9.016 4.074 1.00 0.00 N ATOM 262 CA GLN A 19 5.597 8.532 5.208 1.00 0.00 C ATOM 263 C GLN A 19 4.738 7.634 6.099 1.00 0.00 C ATOM 264 O GLN A 19 5.142 6.513 6.399 1.00 0.00 O ATOM 265 CB GLN A 19 6.167 9.745 5.962 1.00 0.00 C ATOM 266 CG GLN A 19 6.998 9.378 7.200 1.00 0.00 C ATOM 267 CD GLN A 19 6.134 9.047 8.418 1.00 0.00 C ATOM 268 OE1 GLN A 19 5.350 9.878 8.869 1.00 0.00 O ATOM 269 NE2 GLN A 19 6.271 7.834 8.956 1.00 0.00 N ATOM 0 H GLN A 19 4.836 10.033 3.998 1.00 0.00 H new ATOM 0 HA GLN A 19 6.429 7.914 4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.788 10.325 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.343 10.389 6.268 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.631 8.522 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.661 10.207 7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.932 7.170 8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.714 7.571 9.769 1.00 0.00 H new ATOM 278 N SER A 20 3.568 8.129 6.521 1.00 0.00 N ATOM 279 CA SER A 20 2.670 7.422 7.423 1.00 0.00 C ATOM 280 C SER A 20 2.286 6.053 6.858 1.00 0.00 C ATOM 281 O SER A 20 2.496 5.040 7.520 1.00 0.00 O ATOM 282 CB SER A 20 1.435 8.283 7.708 1.00 0.00 C ATOM 283 OG SER A 20 0.565 7.614 8.596 1.00 0.00 O ATOM 0 H SER A 20 3.220 9.045 6.238 1.00 0.00 H new ATOM 0 HA SER A 20 3.187 7.243 8.366 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.740 9.237 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.915 8.504 6.776 1.00 0.00 H new ATOM 0 HG SER A 20 -0.219 8.175 8.771 1.00 0.00 H new ATOM 289 N ILE A 21 1.734 6.023 5.639 1.00 0.00 N ATOM 290 CA ILE A 21 1.290 4.800 4.982 1.00 0.00 C ATOM 291 C ILE A 21 2.459 3.820 4.876 1.00 0.00 C ATOM 292 O ILE A 21 2.343 2.685 5.329 1.00 0.00 O ATOM 293 CB ILE A 21 0.677 5.115 3.604 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.580 5.997 3.740 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.294 3.815 2.877 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.885 6.724 2.427 1.00 0.00 C ATOM 0 H ILE A 21 1.584 6.862 5.078 1.00 0.00 H new ATOM 0 HA ILE A 21 0.508 4.331 5.579 1.00 0.00 H new ATOM 0 HB ILE A 21 1.429 5.654 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.432 5.380 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.433 6.725 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.138 4.055 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.183 3.201 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.436 3.267 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.776 7.339 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.041 7.358 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.055 5.992 1.637 1.00 0.00 H new ATOM 308 N GLU A 22 3.579 4.256 4.286 1.00 0.00 N ATOM 309 CA GLU A 22 4.743 3.409 4.069 1.00 0.00 C ATOM 310 C GLU A 22 5.210 2.783 5.388 1.00 0.00 C ATOM 311 O GLU A 22 5.358 1.566 5.482 1.00 0.00 O ATOM 312 CB GLU A 22 5.843 4.236 3.391 1.00 0.00 C ATOM 313 CG GLU A 22 6.954 3.352 2.817 1.00 0.00 C ATOM 314 CD GLU A 22 7.960 4.183 2.027 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.576 4.644 0.930 1.00 0.00 O ATOM 316 OE2 GLU A 22 9.091 4.346 2.532 1.00 0.00 O ATOM 0 H GLU A 22 3.697 5.211 3.947 1.00 0.00 H new ATOM 0 HA GLU A 22 4.485 2.581 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.406 4.834 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.270 4.932 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.464 2.831 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.520 2.589 2.171 1.00 0.00 H new ATOM 323 N GLY A 23 5.420 3.627 6.405 1.00 0.00 N ATOM 324 CA GLY A 23 5.878 3.232 7.726 1.00 0.00 C ATOM 325 C GLY A 23 4.944 2.220 8.388 1.00 0.00 C ATOM 326 O GLY A 23 5.405 1.186 8.860 1.00 0.00 O ATOM 0 H GLY A 23 5.269 4.632 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.877 2.803 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.959 4.116 8.359 1.00 0.00 H new ATOM 330 N VAL A 24 3.640 2.512 8.434 1.00 0.00 N ATOM 331 CA VAL A 24 2.654 1.676 9.106 1.00 0.00 C ATOM 332 C VAL A 24 2.486 0.339 8.378 1.00 0.00 C ATOM 333 O VAL A 24 2.663 -0.719 8.982 1.00 0.00 O ATOM 334 CB VAL A 24 1.328 2.449 9.234 1.00 0.00 C ATOM 335 CG1 VAL A 24 0.174 1.549 9.694 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.479 3.595 10.246 1.00 0.00 C ATOM 0 H VAL A 24 3.241 3.344 8.000 1.00 0.00 H new ATOM 0 HA VAL A 24 3.000 1.437 10.112 1.00 0.00 H new ATOM 0 HB VAL A 24 1.094 2.837 8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.740 2.139 9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.029 0.746 8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.412 1.122 10.668 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.535 4.134 10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.750 3.187 11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.259 4.278 9.909 1.00 0.00 H new ATOM 346 N ILE A 25 2.135 0.386 7.087 1.00 0.00 N ATOM 347 CA ILE A 25 1.804 -0.795 6.298 1.00 0.00 C ATOM 348 C ILE A 25 2.983 -1.776 6.230 1.00 0.00 C ATOM 349 O ILE A 25 2.751 -2.984 6.228 1.00 0.00 O ATOM 350 CB ILE A 25 1.287 -0.381 4.905 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.023 0.504 4.958 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.028 -1.602 4.011 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.211 -0.156 5.580 1.00 0.00 C ATOM 0 H ILE A 25 2.074 1.257 6.560 1.00 0.00 H new ATOM 0 HA ILE A 25 0.997 -1.333 6.795 1.00 0.00 H new ATOM 0 HB ILE A 25 2.086 0.220 4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.255 1.407 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.225 0.817 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.665 -1.270 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.955 -2.161 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.280 -2.243 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.044 0.547 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.478 -1.043 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.991 -0.443 6.608 1.00 0.00 H new ATOM 365 N SER A 26 4.233 -1.285 6.198 1.00 0.00 N ATOM 366 CA SER A 26 5.419 -2.141 6.178 1.00 0.00 C ATOM 367 C SER A 26 5.455 -3.158 7.328 1.00 0.00 C ATOM 368 O SER A 26 6.052 -4.221 7.173 1.00 0.00 O ATOM 369 CB SER A 26 6.705 -1.307 6.166 1.00 0.00 C ATOM 370 OG SER A 26 6.884 -0.614 7.381 1.00 0.00 O ATOM 0 H SER A 26 4.444 -0.287 6.185 1.00 0.00 H new ATOM 0 HA SER A 26 5.356 -2.714 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.561 -1.959 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.670 -0.595 5.342 1.00 0.00 H new ATOM 0 HG SER A 26 6.099 -0.055 7.557 1.00 0.00 H new ATOM 376 N LYS A 27 4.826 -2.842 8.469 1.00 0.00 N ATOM 377 CA LYS A 27 4.870 -3.676 9.665 1.00 0.00 C ATOM 378 C LYS A 27 3.744 -4.712 9.677 1.00 0.00 C ATOM 379 O LYS A 27 3.847 -5.702 10.400 1.00 0.00 O ATOM 380 CB LYS A 27 4.780 -2.803 10.925 1.00 0.00 C ATOM 381 CG LYS A 27 5.743 -1.609 10.935 1.00 0.00 C ATOM 382 CD LYS A 27 7.208 -2.011 10.735 1.00 0.00 C ATOM 383 CE LYS A 27 8.100 -0.769 10.806 1.00 0.00 C ATOM 384 NZ LYS A 27 9.514 -1.113 10.582 1.00 0.00 N ATOM 0 H LYS A 27 4.271 -1.994 8.582 1.00 0.00 H new ATOM 0 HA LYS A 27 5.820 -4.210 9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.760 -2.433 11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.980 -3.424 11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.454 -0.911 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.645 -1.080 11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.506 -2.728 11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.331 -2.504 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.777 -0.044 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.989 -0.294 11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.094 -0.251 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.827 -1.787 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.622 -1.544 9.642 1.00 0.00 H new ATOM 398 N LYS A 28 2.672 -4.501 8.900 1.00 0.00 N ATOM 399 CA LYS A 28 1.534 -5.410 8.882 1.00 0.00 C ATOM 400 C LYS A 28 1.942 -6.746 8.244 1.00 0.00 C ATOM 401 O LYS A 28 2.724 -6.758 7.292 1.00 0.00 O ATOM 402 CB LYS A 28 0.339 -4.753 8.177 1.00 0.00 C ATOM 403 CG LYS A 28 -0.171 -3.573 9.016 1.00 0.00 C ATOM 404 CD LYS A 28 -1.451 -2.968 8.432 1.00 0.00 C ATOM 405 CE LYS A 28 -1.951 -1.856 9.361 1.00 0.00 C ATOM 406 NZ LYS A 28 -3.127 -1.162 8.812 1.00 0.00 N ATOM 0 H LYS A 28 2.576 -3.701 8.274 1.00 0.00 H new ATOM 0 HA LYS A 28 1.216 -5.625 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.634 -4.407 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.458 -5.483 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.360 -3.908 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.601 -2.806 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.257 -2.568 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.215 -3.738 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.203 -2.282 10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.150 -1.135 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.462 -0.453 9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.868 -0.690 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.884 -1.852 8.630 1.00 0.00 H new ATOM 420 N PRO A 29 1.440 -7.878 8.771 1.00 0.00 N ATOM 421 CA PRO A 29 1.908 -9.207 8.411 1.00 0.00 C ATOM 422 C PRO A 29 1.672 -9.496 6.931 1.00 0.00 C ATOM 423 O PRO A 29 0.614 -9.178 6.389 1.00 0.00 O ATOM 424 CB PRO A 29 1.151 -10.183 9.318 1.00 0.00 C ATOM 425 CG PRO A 29 -0.112 -9.411 9.695 1.00 0.00 C ATOM 426 CD PRO A 29 0.392 -7.971 9.774 1.00 0.00 C ATOM 0 HA PRO A 29 2.984 -9.304 8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.914 -11.112 8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.736 -10.450 10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.896 -9.526 8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.526 -9.749 10.645 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.410 -7.261 9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.777 -7.743 10.768 1.00 0.00 H new ATOM 434 N GLY A 30 2.682 -10.089 6.287 1.00 0.00 N ATOM 435 CA GLY A 30 2.676 -10.387 4.869 1.00 0.00 C ATOM 436 C GLY A 30 3.522 -9.393 4.084 1.00 0.00 C ATOM 437 O GLY A 30 4.225 -9.805 3.164 1.00 0.00 O ATOM 0 H GLY A 30 3.541 -10.378 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.055 -11.396 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.652 -10.368 4.497 1.00 0.00 H new ATOM 441 N VAL A 31 3.461 -8.099 4.431 1.00 0.00 N ATOM 442 CA VAL A 31 4.166 -7.056 3.697 1.00 0.00 C ATOM 443 C VAL A 31 5.674 -7.192 3.906 1.00 0.00 C ATOM 444 O VAL A 31 6.135 -7.321 5.039 1.00 0.00 O ATOM 445 CB VAL A 31 3.668 -5.661 4.113 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.402 -4.568 3.323 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.168 -5.530 3.836 1.00 0.00 C ATOM 0 H VAL A 31 2.922 -7.755 5.226 1.00 0.00 H new ATOM 0 HA VAL A 31 3.957 -7.175 2.634 1.00 0.00 H new ATOM 0 HB VAL A 31 3.864 -5.540 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.036 -3.589 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.472 -4.634 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.219 -4.705 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.828 -4.538 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.981 -5.672 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.626 -6.286 4.404 1.00 0.00 H new ATOM 457 N LYS A 32 6.429 -7.151 2.802 1.00 0.00 N ATOM 458 CA LYS A 32 7.882 -7.127 2.793 1.00 0.00 C ATOM 459 C LYS A 32 8.323 -5.682 2.544 1.00 0.00 C ATOM 460 O LYS A 32 8.285 -4.869 3.466 1.00 0.00 O ATOM 461 CB LYS A 32 8.412 -8.119 1.746 1.00 0.00 C ATOM 462 CG LYS A 32 8.084 -9.567 2.133 1.00 0.00 C ATOM 463 CD LYS A 32 8.558 -10.571 1.074 1.00 0.00 C ATOM 464 CE LYS A 32 10.086 -10.633 0.970 1.00 0.00 C ATOM 465 NZ LYS A 32 10.518 -11.679 0.029 1.00 0.00 N ATOM 0 H LYS A 32 6.026 -7.133 1.865 1.00 0.00 H new ATOM 0 HA LYS A 32 8.300 -7.448 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.975 -7.892 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.491 -8.003 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.553 -9.801 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.008 -9.669 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.173 -11.561 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.141 -10.297 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.469 -9.666 0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.512 -10.829 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.557 -11.695 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.172 -12.604 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.131 -11.478 -0.915 1.00 0.00 H new ATOM 479 N SER A 33 8.726 -5.352 1.310 1.00 0.00 N ATOM 480 CA SER A 33 9.092 -4.001 0.913 1.00 0.00 C ATOM 481 C SER A 33 7.849 -3.241 0.443 1.00 0.00 C ATOM 482 O SER A 33 6.900 -3.842 -0.059 1.00 0.00 O ATOM 483 CB SER A 33 10.156 -4.064 -0.188 1.00 0.00 C ATOM 484 OG SER A 33 9.699 -4.826 -1.287 1.00 0.00 O ATOM 0 H SER A 33 8.806 -6.032 0.554 1.00 0.00 H new ATOM 0 HA SER A 33 9.510 -3.465 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.404 -3.055 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.071 -4.504 0.209 1.00 0.00 H new ATOM 0 HG SER A 33 10.393 -4.852 -1.978 1.00 0.00 H new ATOM 490 N ILE A 34 7.865 -1.914 0.606 1.00 0.00 N ATOM 491 CA ILE A 34 6.798 -1.029 0.164 1.00 0.00 C ATOM 492 C ILE A 34 7.386 0.339 -0.186 1.00 0.00 C ATOM 493 O ILE A 34 8.244 0.847 0.535 1.00 0.00 O ATOM 494 CB ILE A 34 5.670 -0.957 1.214 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.610 0.068 0.771 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.193 -0.647 2.625 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.338 0.026 1.620 1.00 0.00 C ATOM 0 H ILE A 34 8.636 -1.422 1.058 1.00 0.00 H new ATOM 0 HA ILE A 34 6.336 -1.427 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 34 5.210 -1.943 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.039 1.069 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.349 -0.116 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.356 -0.608 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.888 -1.427 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.706 0.315 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.632 0.773 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.887 -0.964 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.587 0.239 2.659 1.00 0.00 H new ATOM 509 N ARG A 35 6.915 0.923 -1.296 1.00 0.00 N ATOM 510 CA ARG A 35 7.291 2.251 -1.761 1.00 0.00 C ATOM 511 C ARG A 35 6.017 3.032 -2.077 1.00 0.00 C ATOM 512 O ARG A 35 5.311 2.692 -3.025 1.00 0.00 O ATOM 513 CB ARG A 35 8.195 2.132 -2.996 1.00 0.00 C ATOM 514 CG ARG A 35 8.606 3.517 -3.514 1.00 0.00 C ATOM 515 CD ARG A 35 9.478 3.394 -4.767 1.00 0.00 C ATOM 516 NE ARG A 35 9.813 4.717 -5.312 1.00 0.00 N ATOM 517 CZ ARG A 35 8.989 5.490 -6.042 1.00 0.00 C ATOM 518 NH1 ARG A 35 7.749 5.084 -6.352 1.00 0.00 N ATOM 519 NH2 ARG A 35 9.414 6.686 -6.468 1.00 0.00 N ATOM 0 H ARG A 35 6.241 0.464 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 35 7.851 2.783 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.085 1.555 -2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.673 1.586 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.716 4.104 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.151 4.053 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.394 2.855 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.954 2.808 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 35 10.747 5.079 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.416 4.174 -6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.139 5.685 -6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.356 7.004 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.796 7.279 -7.022 1.00 0.00 H new ATOM 533 N VAL A 36 5.736 4.079 -1.292 1.00 0.00 N ATOM 534 CA VAL A 36 4.612 4.984 -1.498 1.00 0.00 C ATOM 535 C VAL A 36 5.135 6.268 -2.151 1.00 0.00 C ATOM 536 O VAL A 36 6.276 6.660 -1.908 1.00 0.00 O ATOM 537 CB VAL A 36 3.884 5.228 -0.162 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.591 6.034 -0.355 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.507 3.901 0.510 1.00 0.00 C ATOM 0 H VAL A 36 6.301 4.321 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 36 3.872 4.550 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 36 4.578 5.790 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.108 6.184 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.828 7.002 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.918 5.489 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.995 4.102 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.848 3.334 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.410 3.323 0.705 1.00 0.00 H new ATOM 549 N SER A 37 4.312 6.909 -2.991 1.00 0.00 N ATOM 550 CA SER A 37 4.696 8.092 -3.753 1.00 0.00 C ATOM 551 C SER A 37 3.497 9.023 -3.935 1.00 0.00 C ATOM 552 O SER A 37 2.451 8.595 -4.420 1.00 0.00 O ATOM 553 CB SER A 37 5.257 7.651 -5.110 1.00 0.00 C ATOM 554 OG SER A 37 5.460 8.765 -5.957 1.00 0.00 O ATOM 0 H SER A 37 3.350 6.613 -3.159 1.00 0.00 H new ATOM 0 HA SER A 37 5.464 8.644 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.199 7.123 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.569 6.950 -5.582 1.00 0.00 H new ATOM 0 HG SER A 37 5.964 8.486 -6.750 1.00 0.00 H new ATOM 560 N LEU A 38 3.670 10.299 -3.562 1.00 0.00 N ATOM 561 CA LEU A 38 2.710 11.371 -3.794 1.00 0.00 C ATOM 562 C LEU A 38 2.656 11.709 -5.284 1.00 0.00 C ATOM 563 O LEU A 38 1.571 11.842 -5.847 1.00 0.00 O ATOM 564 CB LEU A 38 3.112 12.601 -2.964 1.00 0.00 C ATOM 565 CG LEU A 38 2.174 13.811 -3.112 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.774 13.520 -2.558 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.777 14.997 -2.350 1.00 0.00 C ATOM 0 H LEU A 38 4.509 10.616 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 38 1.715 11.050 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.152 12.316 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.120 12.902 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 38 2.074 14.037 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.143 14.400 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.336 12.681 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.846 13.272 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.122 15.863 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.882 14.737 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.757 15.236 -2.764 1.00 0.00 H new ATOM 579 N ALA A 39 3.833 11.841 -5.913 1.00 0.00 N ATOM 580 CA ALA A 39 3.986 12.163 -7.327 1.00 0.00 C ATOM 581 C ALA A 39 3.175 11.213 -8.209 1.00 0.00 C ATOM 582 O ALA A 39 2.511 11.654 -9.145 1.00 0.00 O ATOM 583 CB ALA A 39 5.469 12.113 -7.702 1.00 0.00 C ATOM 0 H ALA A 39 4.725 11.722 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 39 3.602 13.169 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.585 12.353 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.021 12.837 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.859 11.113 -7.512 1.00 0.00 H new ATOM 589 N ASN A 40 3.222 9.914 -7.895 1.00 0.00 N ATOM 590 CA ASN A 40 2.484 8.884 -8.614 1.00 0.00 C ATOM 591 C ASN A 40 1.089 8.681 -8.010 1.00 0.00 C ATOM 592 O ASN A 40 0.216 8.133 -8.679 1.00 0.00 O ATOM 593 CB ASN A 40 3.259 7.564 -8.548 1.00 0.00 C ATOM 594 CG ASN A 40 4.677 7.651 -9.107 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.993 8.523 -9.913 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.544 6.735 -8.671 1.00 0.00 N ATOM 0 H ASN A 40 3.782 9.550 -7.124 1.00 0.00 H new ATOM 0 HA ASN A 40 2.370 9.203 -9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.308 7.234 -7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.708 6.802 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.507 6.743 -9.007 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.244 6.027 -8.001 1.00 0.00 H new ATOM 603 N SER A 41 0.886 9.106 -6.754 1.00 0.00 N ATOM 604 CA SER A 41 -0.337 8.918 -5.985 1.00 0.00 C ATOM 605 C SER A 41 -0.668 7.429 -5.882 1.00 0.00 C ATOM 606 O SER A 41 -1.769 7.002 -6.229 1.00 0.00 O ATOM 607 CB SER A 41 -1.482 9.765 -6.557 1.00 0.00 C ATOM 608 OG SER A 41 -1.164 11.138 -6.449 1.00 0.00 O ATOM 0 H SER A 41 1.603 9.610 -6.232 1.00 0.00 H new ATOM 0 HA SER A 41 -0.187 9.276 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.653 9.503 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.406 9.553 -6.020 1.00 0.00 H new ATOM 0 HG SER A 41 -0.219 11.237 -6.210 1.00 0.00 H new ATOM 614 N ASN A 42 0.303 6.637 -5.408 1.00 0.00 N ATOM 615 CA ASN A 42 0.170 5.191 -5.313 1.00 0.00 C ATOM 616 C ASN A 42 1.060 4.607 -4.216 1.00 0.00 C ATOM 617 O ASN A 42 1.877 5.308 -3.621 1.00 0.00 O ATOM 618 CB ASN A 42 0.417 4.533 -6.684 1.00 0.00 C ATOM 619 CG ASN A 42 1.868 4.575 -7.170 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.772 5.035 -6.476 1.00 0.00 O ATOM 621 ND2 ASN A 42 2.097 4.081 -8.388 1.00 0.00 N ATOM 0 H ASN A 42 1.202 6.990 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.855 4.964 -5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.097 3.492 -6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.213 5.025 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.044 4.078 -8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.325 3.706 -8.940 1.00 0.00 H new ATOM 628 N GLY A 43 0.874 3.305 -3.979 1.00 0.00 N ATOM 629 CA GLY A 43 1.619 2.469 -3.063 1.00 0.00 C ATOM 630 C GLY A 43 1.946 1.164 -3.778 1.00 0.00 C ATOM 631 O GLY A 43 1.044 0.390 -4.093 1.00 0.00 O ATOM 0 H GLY A 43 0.145 2.781 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.534 2.970 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.035 2.275 -2.163 1.00 0.00 H new ATOM 635 N THR A 44 3.238 0.928 -4.026 1.00 0.00 N ATOM 636 CA THR A 44 3.744 -0.261 -4.691 1.00 0.00 C ATOM 637 C THR A 44 4.231 -1.196 -3.589 1.00 0.00 C ATOM 638 O THR A 44 5.279 -0.954 -2.991 1.00 0.00 O ATOM 639 CB THR A 44 4.866 0.136 -5.662 1.00 0.00 C ATOM 640 OG1 THR A 44 4.352 1.044 -6.615 1.00 0.00 O ATOM 641 CG2 THR A 44 5.427 -1.088 -6.395 1.00 0.00 C ATOM 0 H THR A 44 3.975 1.581 -3.760 1.00 0.00 H new ATOM 0 HA THR A 44 2.982 -0.764 -5.286 1.00 0.00 H new ATOM 0 HB THR A 44 5.671 0.594 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.064 1.303 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.219 -0.774 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.831 -1.794 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.631 -1.568 -6.963 1.00 0.00 H new ATOM 649 N VAL A 45 3.441 -2.241 -3.310 1.00 0.00 N ATOM 650 CA VAL A 45 3.613 -3.122 -2.165 1.00 0.00 C ATOM 651 C VAL A 45 4.047 -4.509 -2.638 1.00 0.00 C ATOM 652 O VAL A 45 3.448 -5.051 -3.565 1.00 0.00 O ATOM 653 CB VAL A 45 2.292 -3.224 -1.375 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.556 -3.849 0.001 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.605 -1.864 -1.187 1.00 0.00 C ATOM 0 H VAL A 45 2.646 -2.497 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 45 4.384 -2.711 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 45 1.621 -3.853 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.620 -3.919 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.977 -4.846 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.259 -3.227 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.681 -1.998 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.269 -1.194 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.377 -1.434 -2.162 1.00 0.00 H new ATOM 665 N GLU A 46 5.069 -5.077 -1.985 1.00 0.00 N ATOM 666 CA GLU A 46 5.480 -6.468 -2.131 1.00 0.00 C ATOM 667 C GLU A 46 4.980 -7.213 -0.897 1.00 0.00 C ATOM 668 O GLU A 46 5.140 -6.718 0.218 1.00 0.00 O ATOM 669 CB GLU A 46 7.005 -6.556 -2.248 1.00 0.00 C ATOM 670 CG GLU A 46 7.479 -8.003 -2.433 1.00 0.00 C ATOM 671 CD GLU A 46 8.994 -8.063 -2.594 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.673 -8.163 -1.549 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.445 -8.007 -3.759 1.00 0.00 O ATOM 0 H GLU A 46 5.646 -4.560 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 46 5.061 -6.911 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.340 -5.953 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.463 -6.135 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.177 -8.602 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.999 -8.438 -3.309 1.00 0.00 H new ATOM 680 N TYR A 47 4.360 -8.382 -1.093 1.00 0.00 N ATOM 681 CA TYR A 47 3.690 -9.105 -0.024 1.00 0.00 C ATOM 682 C TYR A 47 3.702 -10.618 -0.250 1.00 0.00 C ATOM 683 O TYR A 47 4.063 -11.089 -1.328 1.00 0.00 O ATOM 684 CB TYR A 47 2.255 -8.584 0.108 1.00 0.00 C ATOM 685 CG TYR A 47 1.382 -8.895 -1.095 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.415 -8.055 -2.223 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.553 -10.034 -1.098 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.692 -8.400 -3.375 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.167 -10.379 -2.254 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.083 -9.570 -3.400 1.00 0.00 C ATOM 691 OH TYR A 47 -0.740 -9.914 -4.544 1.00 0.00 O ATOM 0 H TYR A 47 4.313 -8.847 -1.999 1.00 0.00 H new ATOM 0 HA TYR A 47 4.235 -8.928 0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.800 -9.018 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.282 -7.505 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.996 -7.145 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.471 -10.643 -0.210 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.732 -7.763 -4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.784 -11.265 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.581 -10.861 -4.741 1.00 0.00 H new ATOM 701 N ASP A 48 3.282 -11.364 0.781 1.00 0.00 N ATOM 702 CA ASP A 48 3.087 -12.808 0.759 1.00 0.00 C ATOM 703 C ASP A 48 1.583 -13.115 0.658 1.00 0.00 C ATOM 704 O ASP A 48 0.860 -12.846 1.617 1.00 0.00 O ATOM 705 CB ASP A 48 3.681 -13.409 2.042 1.00 0.00 C ATOM 706 CG ASP A 48 3.500 -14.925 2.160 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.067 -15.552 1.169 1.00 0.00 O ATOM 708 OD2 ASP A 48 3.802 -15.436 3.260 1.00 0.00 O ATOM 0 H ASP A 48 3.061 -10.954 1.688 1.00 0.00 H new ATOM 0 HA ASP A 48 3.589 -13.248 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.745 -13.176 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.218 -12.930 2.904 1.00 0.00 H new ATOM 713 N PRO A 49 1.108 -13.688 -0.466 1.00 0.00 N ATOM 714 CA PRO A 49 -0.260 -14.165 -0.664 1.00 0.00 C ATOM 715 C PRO A 49 -0.852 -14.938 0.516 1.00 0.00 C ATOM 716 O PRO A 49 -2.034 -14.788 0.818 1.00 0.00 O ATOM 717 CB PRO A 49 -0.209 -15.046 -1.911 1.00 0.00 C ATOM 718 CG PRO A 49 0.865 -14.352 -2.737 1.00 0.00 C ATOM 719 CD PRO A 49 1.875 -13.918 -1.679 1.00 0.00 C ATOM 0 HA PRO A 49 -0.922 -13.305 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.059 -16.076 -1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.167 -15.077 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.310 -15.025 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.465 -13.501 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.632 -14.687 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.399 -13.013 -1.987 1.00 0.00 H new ATOM 727 N LEU A 50 -0.038 -15.772 1.174 1.00 0.00 N ATOM 728 CA LEU A 50 -0.475 -16.609 2.283 1.00 0.00 C ATOM 729 C LEU A 50 -0.966 -15.772 3.469 1.00 0.00 C ATOM 730 O LEU A 50 -1.887 -16.188 4.169 1.00 0.00 O ATOM 731 CB LEU A 50 0.670 -17.530 2.730 1.00 0.00 C ATOM 732 CG LEU A 50 1.233 -18.436 1.619 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.426 -19.220 2.177 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.179 -19.416 1.091 1.00 0.00 C ATOM 0 H LEU A 50 0.950 -15.881 0.945 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.313 -17.211 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.479 -16.916 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.316 -18.157 3.548 1.00 0.00 H new ATOM 0 HG LEU A 50 1.542 -17.804 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.833 -19.865 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.195 -18.523 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.099 -19.829 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.618 -20.036 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.168 -20.051 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.664 -18.859 0.682 1.00 0.00 H new ATOM 746 N LEU A 51 -0.344 -14.608 3.700 1.00 0.00 N ATOM 747 CA LEU A 51 -0.581 -13.769 4.868 1.00 0.00 C ATOM 748 C LEU A 51 -1.481 -12.572 4.547 1.00 0.00 C ATOM 749 O LEU A 51 -2.233 -12.136 5.417 1.00 0.00 O ATOM 750 CB LEU A 51 0.769 -13.309 5.434 1.00 0.00 C ATOM 751 CG LEU A 51 1.639 -14.465 5.964 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.028 -13.933 6.334 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.021 -15.134 7.198 1.00 0.00 C ATOM 0 H LEU A 51 0.352 -14.221 3.062 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.111 -14.358 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.318 -12.778 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.592 -12.598 6.241 1.00 0.00 H new ATOM 0 HG LEU A 51 1.708 -15.211 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.643 -14.751 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.499 -13.500 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.931 -13.169 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.669 -15.943 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.913 -14.398 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.041 -15.537 6.941 1.00 0.00 H new ATOM 765 N THR A 52 -1.415 -12.033 3.322 1.00 0.00 N ATOM 766 CA THR A 52 -2.219 -10.885 2.909 1.00 0.00 C ATOM 767 C THR A 52 -2.464 -10.930 1.397 1.00 0.00 C ATOM 768 O THR A 52 -1.949 -11.809 0.713 1.00 0.00 O ATOM 769 CB THR A 52 -1.539 -9.586 3.375 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.428 -8.495 3.271 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.274 -9.279 2.572 1.00 0.00 C ATOM 0 H THR A 52 -0.798 -12.386 2.590 1.00 0.00 H new ATOM 0 HA THR A 52 -3.200 -10.920 3.382 1.00 0.00 H new ATOM 0 HB THR A 52 -1.256 -9.736 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.980 -7.678 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.172 -8.353 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.438 -10.096 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.530 -9.169 1.518 1.00 0.00 H new ATOM 779 N SER A 53 -3.260 -9.988 0.878 1.00 0.00 N ATOM 780 CA SER A 53 -3.682 -9.937 -0.517 1.00 0.00 C ATOM 781 C SER A 53 -3.910 -8.477 -0.934 1.00 0.00 C ATOM 782 O SER A 53 -4.006 -7.617 -0.059 1.00 0.00 O ATOM 783 CB SER A 53 -4.958 -10.776 -0.684 1.00 0.00 C ATOM 784 OG SER A 53 -6.076 -10.106 -0.138 1.00 0.00 O ATOM 0 H SER A 53 -3.636 -9.222 1.436 1.00 0.00 H new ATOM 0 HA SER A 53 -2.908 -10.352 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.130 -10.977 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.831 -11.741 -0.192 1.00 0.00 H new ATOM 0 HG SER A 53 -6.878 -10.657 -0.257 1.00 0.00 H new ATOM 790 N PRO A 54 -4.012 -8.169 -2.240 1.00 0.00 N ATOM 791 CA PRO A 54 -4.242 -6.816 -2.735 1.00 0.00 C ATOM 792 C PRO A 54 -5.430 -6.125 -2.062 1.00 0.00 C ATOM 793 O PRO A 54 -5.318 -4.972 -1.656 1.00 0.00 O ATOM 794 CB PRO A 54 -4.447 -6.956 -4.247 1.00 0.00 C ATOM 795 CG PRO A 54 -3.628 -8.199 -4.579 1.00 0.00 C ATOM 796 CD PRO A 54 -3.889 -9.086 -3.363 1.00 0.00 C ATOM 0 HA PRO A 54 -3.392 -6.175 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.499 -7.083 -4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.091 -6.079 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.958 -8.669 -5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.569 -7.970 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.798 -9.674 -3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.073 -9.791 -3.208 1.00 0.00 H new ATOM 804 N GLU A 55 -6.560 -6.831 -1.940 1.00 0.00 N ATOM 805 CA GLU A 55 -7.774 -6.295 -1.340 1.00 0.00 C ATOM 806 C GLU A 55 -7.612 -6.063 0.164 1.00 0.00 C ATOM 807 O GLU A 55 -8.177 -5.109 0.694 1.00 0.00 O ATOM 808 CB GLU A 55 -8.963 -7.217 -1.625 1.00 0.00 C ATOM 809 CG GLU A 55 -9.211 -7.353 -3.132 1.00 0.00 C ATOM 810 CD GLU A 55 -10.593 -7.933 -3.407 1.00 0.00 C ATOM 811 OE1 GLU A 55 -11.560 -7.142 -3.336 1.00 0.00 O ATOM 812 OE2 GLU A 55 -10.661 -9.152 -3.679 1.00 0.00 O ATOM 0 H GLU A 55 -6.652 -7.796 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.967 -5.324 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.775 -8.201 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.856 -6.823 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.121 -6.377 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.449 -7.995 -3.573 1.00 0.00 H new ATOM 819 N THR A 56 -6.848 -6.918 0.856 1.00 0.00 N ATOM 820 CA THR A 56 -6.558 -6.742 2.273 1.00 0.00 C ATOM 821 C THR A 56 -5.713 -5.481 2.482 1.00 0.00 C ATOM 822 O THR A 56 -5.999 -4.690 3.377 1.00 0.00 O ATOM 823 CB THR A 56 -5.842 -7.984 2.822 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.549 -9.153 2.466 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.707 -7.933 4.347 1.00 0.00 C ATOM 0 H THR A 56 -6.418 -7.747 0.445 1.00 0.00 H new ATOM 0 HA THR A 56 -7.493 -6.620 2.819 1.00 0.00 H new ATOM 0 HB THR A 56 -4.844 -8.000 2.384 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.322 -9.405 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.195 -8.829 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.132 -7.052 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.698 -7.881 4.798 1.00 0.00 H new ATOM 833 N LEU A 57 -4.679 -5.299 1.653 1.00 0.00 N ATOM 834 CA LEU A 57 -3.778 -4.154 1.706 1.00 0.00 C ATOM 835 C LEU A 57 -4.529 -2.860 1.387 1.00 0.00 C ATOM 836 O LEU A 57 -4.362 -1.861 2.085 1.00 0.00 O ATOM 837 CB LEU A 57 -2.612 -4.374 0.733 1.00 0.00 C ATOM 838 CG LEU A 57 -1.725 -5.568 1.124 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.826 -5.946 -0.058 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.867 -5.259 2.354 1.00 0.00 C ATOM 0 H LEU A 57 -4.445 -5.960 0.913 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.377 -4.059 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.007 -4.534 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.002 -3.472 0.695 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.377 -6.404 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.197 -6.792 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.445 -6.218 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.196 -5.097 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.255 -6.127 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.221 -4.407 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.514 -5.022 3.199 1.00 0.00 H new ATOM 852 N ARG A 58 -5.372 -2.884 0.349 1.00 0.00 N ATOM 853 CA ARG A 58 -6.293 -1.802 0.033 1.00 0.00 C ATOM 854 C ARG A 58 -7.139 -1.483 1.271 1.00 0.00 C ATOM 855 O ARG A 58 -7.221 -0.328 1.678 1.00 0.00 O ATOM 856 CB ARG A 58 -7.167 -2.224 -1.154 1.00 0.00 C ATOM 857 CG ARG A 58 -8.084 -1.096 -1.645 1.00 0.00 C ATOM 858 CD ARG A 58 -9.338 -1.676 -2.304 1.00 0.00 C ATOM 859 NE ARG A 58 -10.168 -2.373 -1.311 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.749 -3.578 -1.452 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.720 -4.244 -2.616 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.373 -4.126 -0.401 1.00 0.00 N ATOM 0 H ARG A 58 -5.430 -3.669 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.749 -0.900 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.527 -2.549 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.775 -3.081 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.367 -0.459 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.549 -0.468 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.914 -0.876 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.052 -2.367 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.319 -1.893 -0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.248 -3.838 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.170 -5.156 -2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.403 -3.630 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.819 -5.039 -0.492 1.00 0.00 H new ATOM 876 N GLY A 59 -7.743 -2.514 1.876 1.00 0.00 N ATOM 877 CA GLY A 59 -8.523 -2.423 3.102 1.00 0.00 C ATOM 878 C GLY A 59 -7.759 -1.734 4.234 1.00 0.00 C ATOM 879 O GLY A 59 -8.319 -0.888 4.925 1.00 0.00 O ATOM 0 H GLY A 59 -7.696 -3.464 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.444 -1.874 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.812 -3.425 3.420 1.00 0.00 H new ATOM 883 N ALA A 60 -6.484 -2.091 4.423 1.00 0.00 N ATOM 884 CA ALA A 60 -5.624 -1.514 5.447 1.00 0.00 C ATOM 885 C ALA A 60 -5.411 -0.016 5.208 1.00 0.00 C ATOM 886 O ALA A 60 -5.485 0.777 6.143 1.00 0.00 O ATOM 887 CB ALA A 60 -4.294 -2.271 5.480 1.00 0.00 C ATOM 0 H ALA A 60 -6.019 -2.801 3.857 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.108 -1.615 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.649 -1.840 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.478 -3.321 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.806 -2.192 4.508 1.00 0.00 H new ATOM 893 N ILE A 61 -5.157 0.376 3.956 1.00 0.00 N ATOM 894 CA ILE A 61 -4.974 1.772 3.578 1.00 0.00 C ATOM 895 C ILE A 61 -6.284 2.555 3.769 1.00 0.00 C ATOM 896 O ILE A 61 -6.262 3.693 4.235 1.00 0.00 O ATOM 897 CB ILE A 61 -4.424 1.844 2.141 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.011 1.234 2.074 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.379 3.301 1.664 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.631 0.807 0.653 1.00 0.00 C ATOM 0 H ILE A 61 -5.073 -0.274 3.174 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.240 2.248 4.228 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.087 1.274 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.286 1.961 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.958 0.371 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.989 3.339 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.385 3.721 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.732 3.880 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.627 0.383 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.339 0.059 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.656 1.674 -0.007 1.00 0.00 H new ATOM 912 N GLU A 62 -7.428 1.947 3.429 1.00 0.00 N ATOM 913 CA GLU A 62 -8.747 2.519 3.673 1.00 0.00 C ATOM 914 C GLU A 62 -8.998 2.695 5.174 1.00 0.00 C ATOM 915 O GLU A 62 -9.580 3.699 5.577 1.00 0.00 O ATOM 916 CB GLU A 62 -9.835 1.655 3.021 1.00 0.00 C ATOM 917 CG GLU A 62 -9.792 1.767 1.491 1.00 0.00 C ATOM 918 CD GLU A 62 -10.738 0.773 0.823 1.00 0.00 C ATOM 919 OE1 GLU A 62 -10.441 -0.440 0.898 1.00 0.00 O ATOM 920 OE2 GLU A 62 -11.744 1.241 0.248 1.00 0.00 O ATOM 0 H GLU A 62 -7.458 1.035 2.973 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.784 3.508 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.701 0.614 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.815 1.965 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.060 2.781 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.774 1.591 1.142 1.00 0.00 H new ATOM 927 N ASP A 63 -8.555 1.735 5.997 1.00 0.00 N ATOM 928 CA ASP A 63 -8.667 1.810 7.448 1.00 0.00 C ATOM 929 C ASP A 63 -7.873 3.001 7.995 1.00 0.00 C ATOM 930 O ASP A 63 -8.365 3.698 8.880 1.00 0.00 O ATOM 931 CB ASP A 63 -8.229 0.487 8.087 1.00 0.00 C ATOM 932 CG ASP A 63 -8.380 0.519 9.605 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.529 0.347 10.067 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.344 0.717 10.277 1.00 0.00 O ATOM 0 H ASP A 63 -8.107 0.881 5.666 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.712 1.973 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.825 -0.330 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.190 0.284 7.828 1.00 0.00 H new ATOM 939 N MET A 64 -6.665 3.250 7.466 1.00 0.00 N ATOM 940 CA MET A 64 -5.902 4.448 7.802 1.00 0.00 C ATOM 941 C MET A 64 -6.686 5.704 7.407 1.00 0.00 C ATOM 942 O MET A 64 -6.821 6.615 8.222 1.00 0.00 O ATOM 943 CB MET A 64 -4.514 4.433 7.150 1.00 0.00 C ATOM 944 CG MET A 64 -3.619 3.340 7.743 1.00 0.00 C ATOM 945 SD MET A 64 -1.914 3.334 7.127 1.00 0.00 S ATOM 946 CE MET A 64 -1.321 4.888 7.846 1.00 0.00 C ATOM 0 H MET A 64 -6.200 2.631 6.802 1.00 0.00 H new ATOM 0 HA MET A 64 -5.749 4.461 8.881 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.618 4.275 6.077 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.039 5.405 7.284 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.598 3.456 8.827 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.069 2.369 7.535 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.232 4.911 7.814 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.719 5.728 7.276 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.655 4.961 8.881 1.00 0.00 H new ATOM 956 N GLY A 65 -7.211 5.740 6.174 1.00 0.00 N ATOM 957 CA GLY A 65 -8.145 6.764 5.722 1.00 0.00 C ATOM 958 C GLY A 65 -7.714 7.384 4.398 1.00 0.00 C ATOM 959 O GLY A 65 -7.490 8.592 4.333 1.00 0.00 O ATOM 0 H GLY A 65 -6.992 5.047 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.137 6.327 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.223 7.544 6.480 1.00 0.00 H new ATOM 963 N PHE A 66 -7.612 6.564 3.343 1.00 0.00 N ATOM 964 CA PHE A 66 -7.352 7.025 1.984 1.00 0.00 C ATOM 965 C PHE A 66 -8.192 6.219 0.996 1.00 0.00 C ATOM 966 O PHE A 66 -8.492 5.051 1.239 1.00 0.00 O ATOM 967 CB PHE A 66 -5.864 6.903 1.649 1.00 0.00 C ATOM 968 CG PHE A 66 -4.945 7.669 2.576 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.622 9.007 2.292 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.421 7.049 3.725 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.792 9.733 3.162 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.600 7.776 4.603 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.289 9.119 4.324 1.00 0.00 C ATOM 0 H PHE A 66 -7.710 5.551 3.417 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.630 8.076 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.585 5.850 1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.705 7.254 0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.013 9.478 1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.650 6.014 3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.541 10.760 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.208 7.304 5.492 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.663 9.680 5.003 1.00 0.00 H new ATOM 983 N ASP A 67 -8.563 6.846 -0.124 1.00 0.00 N ATOM 984 CA ASP A 67 -9.367 6.233 -1.169 1.00 0.00 C ATOM 985 C ASP A 67 -8.459 5.365 -2.040 1.00 0.00 C ATOM 986 O ASP A 67 -7.934 5.830 -3.052 1.00 0.00 O ATOM 987 CB ASP A 67 -10.073 7.328 -1.979 1.00 0.00 C ATOM 988 CG ASP A 67 -11.028 8.143 -1.112 1.00 0.00 C ATOM 989 OD1 ASP A 67 -12.175 7.678 -0.936 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.592 9.216 -0.639 1.00 0.00 O ATOM 0 H ASP A 67 -8.305 7.812 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.140 5.594 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.329 7.990 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.626 6.874 -2.801 1.00 0.00 H new ATOM 995 N ALA A 68 -8.271 4.104 -1.631 1.00 0.00 N ATOM 996 CA ALA A 68 -7.363 3.167 -2.274 1.00 0.00 C ATOM 997 C ALA A 68 -8.121 2.219 -3.202 1.00 0.00 C ATOM 998 O ALA A 68 -9.217 1.769 -2.872 1.00 0.00 O ATOM 999 CB ALA A 68 -6.602 2.383 -1.206 1.00 0.00 C ATOM 0 H ALA A 68 -8.758 3.706 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.653 3.726 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.921 1.680 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.032 3.074 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.309 1.835 -0.584 1.00 0.00 H new ATOM 1005 N THR A 69 -7.523 1.916 -4.360 1.00 0.00 N ATOM 1006 CA THR A 69 -8.027 0.946 -5.326 1.00 0.00 C ATOM 1007 C THR A 69 -6.846 0.326 -6.078 1.00 0.00 C ATOM 1008 O THR A 69 -5.761 0.899 -6.098 1.00 0.00 O ATOM 1009 CB THR A 69 -9.040 1.612 -6.270 1.00 0.00 C ATOM 1010 OG1 THR A 69 -9.631 0.629 -7.094 1.00 0.00 O ATOM 1011 CG2 THR A 69 -8.407 2.698 -7.149 1.00 0.00 C ATOM 0 H THR A 69 -6.650 2.354 -4.655 1.00 0.00 H new ATOM 0 HA THR A 69 -8.557 0.143 -4.813 1.00 0.00 H new ATOM 0 HB THR A 69 -9.791 2.097 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.279 1.052 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.169 3.133 -7.795 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.981 3.476 -6.516 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.621 2.257 -7.762 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.050 -0.842 -6.695 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.002 -1.560 -7.408 1.00 0.00 C ATOM 1021 C LEU A 70 -5.843 -0.996 -8.823 1.00 0.00 C ATOM 1022 O LEU A 70 -6.738 -0.320 -9.331 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.316 -3.065 -7.469 1.00 0.00 C ATOM 1024 CG LEU A 70 -6.474 -3.800 -6.123 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -5.386 -3.417 -5.116 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -7.862 -3.631 -5.493 1.00 0.00 C ATOM 0 H LEU A 70 -7.954 -1.314 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.066 -1.426 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.237 -3.197 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.521 -3.555 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.358 -4.855 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.543 -3.962 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.407 -3.670 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.432 -2.346 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.902 -4.174 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.053 -2.573 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.620 -4.025 -6.170 1.00 0.00 H new