USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 54 THR OG1 : rot 77:sc= -0.543 USER MOD Set 1.2: A 66 ASN : amide:sc= -0.0746 K(o=-0.62,f=-1.6) USER MOD Set 2.1: A 39 ASN : amide:sc= -9.23! C(o=-13!,f=-9.4!) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.881 USER MOD Set 2.3: A 69 SER OG : rot 170:sc= -2.53 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -19.1! C(o=-19!,f=-18!) USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= -1.06 (180deg=-2.77!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.57! C(o=-4.1!,f=-6.8!) USER MOD Single : A 35 SER OG : rot -46:sc= 1.03 USER MOD Single : A 38 GLN : amide:sc= -3.98! K(o=-4!,f=-1.6) USER MOD Single : A 42 TYR OH : rot 174:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -0.514 (180deg=-1.67!) USER MOD Single : A 44 SER OG : rot 88:sc= -0.358 USER MOD Single : A 49 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= -0.133 (180deg=-0.907) USER MOD Single : A 52 SER OG : rot 180:sc= -0.081 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -13.846 1.557 9.027 1.00 0.00 N ATOM 2 CA SER A 2 -14.110 0.282 9.671 1.00 0.00 C ATOM 3 C SER A 2 -12.838 -0.206 10.368 1.00 0.00 C ATOM 4 O SER A 2 -12.544 -1.408 10.284 1.00 0.00 O ATOM 5 CB SER A 2 -14.600 -0.763 8.666 1.00 0.00 C ATOM 6 OG SER A 2 -15.617 -1.596 9.215 1.00 0.00 O ATOM 0 HA SER A 2 -14.901 0.424 10.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.983 -0.260 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.760 -1.380 8.346 1.00 0.00 H new ATOM 0 HG SER A 2 -15.904 -2.248 8.542 1.00 0.00 H new ATOM 12 N GLY A 3 -12.120 0.719 11.029 1.00 0.00 N ATOM 13 CA GLY A 3 -10.894 0.384 11.732 1.00 0.00 C ATOM 14 C GLY A 3 -9.732 0.360 10.736 1.00 0.00 C ATOM 15 O GLY A 3 -8.673 0.923 11.050 1.00 0.00 O ATOM 0 H GLY A 3 -12.378 1.704 11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.700 1.114 12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.993 -0.587 12.217 1.00 0.00 H new ATOM 19 N LYS A 4 -9.948 -0.283 9.575 1.00 0.00 N ATOM 20 CA LYS A 4 -8.927 -0.379 8.546 1.00 0.00 C ATOM 21 C LYS A 4 -8.665 1.010 7.960 1.00 0.00 C ATOM 22 O LYS A 4 -9.524 1.890 8.123 1.00 0.00 O ATOM 23 CB LYS A 4 -9.317 -1.424 7.498 1.00 0.00 C ATOM 24 CG LYS A 4 -8.837 -2.818 7.908 1.00 0.00 C ATOM 25 CD LYS A 4 -9.918 -3.561 8.695 1.00 0.00 C ATOM 26 CE LYS A 4 -9.355 -4.126 10.001 1.00 0.00 C ATOM 27 NZ LYS A 4 -10.439 -4.360 10.970 1.00 0.00 N ATOM 0 H LYS A 4 -10.827 -0.742 9.336 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.987 -0.727 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.400 -1.431 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.885 -1.156 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.571 -3.391 7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.935 -2.732 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.744 -2.884 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.322 -4.371 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.828 -5.059 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.627 -3.432 10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.041 -4.743 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.924 -3.463 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.119 -5.040 10.573 1.00 0.00 H new ATOM 41 N MET A 5 -7.505 1.178 7.301 1.00 0.00 N ATOM 42 CA MET A 5 -7.138 2.449 6.699 1.00 0.00 C ATOM 43 C MET A 5 -6.773 2.225 5.230 1.00 0.00 C ATOM 44 O MET A 5 -6.305 1.127 4.899 1.00 0.00 O ATOM 45 CB MET A 5 -5.944 3.060 7.435 1.00 0.00 C ATOM 46 CG MET A 5 -5.269 2.028 8.340 1.00 0.00 C ATOM 47 SD MET A 5 -6.225 1.824 9.871 1.00 0.00 S ATOM 48 CE MET A 5 -5.338 2.985 10.952 1.00 0.00 C ATOM 0 H MET A 5 -6.811 0.440 7.178 1.00 0.00 H new ATOM 0 HA MET A 5 -7.983 3.134 6.770 1.00 0.00 H new ATOM 0 HB2 MET A 5 -5.223 3.441 6.712 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.276 3.910 8.032 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.190 1.073 7.821 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.254 2.347 8.575 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.797 2.985 11.940 1.00 0.00 H new ATOM 0 HE2 MET A 5 -4.295 2.679 11.037 1.00 0.00 H new ATOM 0 HE3 MET A 5 -5.389 3.988 10.528 1.00 0.00 H new ATOM 58 N THR A 6 -6.991 3.255 4.393 1.00 0.00 N ATOM 59 CA THR A 6 -6.688 3.172 2.974 1.00 0.00 C ATOM 60 C THR A 6 -5.268 3.685 2.730 1.00 0.00 C ATOM 61 O THR A 6 -4.782 4.487 3.543 1.00 0.00 O ATOM 62 CB THR A 6 -7.756 3.945 2.199 1.00 0.00 C ATOM 63 OG1 THR A 6 -7.507 5.308 2.532 1.00 0.00 O ATOM 64 CG2 THR A 6 -9.168 3.686 2.730 1.00 0.00 C ATOM 0 H THR A 6 -7.377 4.152 4.687 1.00 0.00 H new ATOM 0 HA THR A 6 -6.713 2.142 2.618 1.00 0.00 H new ATOM 0 HB THR A 6 -7.708 3.672 1.145 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.154 5.881 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.888 4.259 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.398 2.624 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.225 3.991 3.775 1.00 0.00 H new ATOM 72 N GLY A 7 -4.641 3.223 1.634 1.00 0.00 N ATOM 73 CA GLY A 7 -3.290 3.633 1.289 1.00 0.00 C ATOM 74 C GLY A 7 -2.945 3.114 -0.108 1.00 0.00 C ATOM 75 O GLY A 7 -3.123 1.911 -0.350 1.00 0.00 O ATOM 0 H GLY A 7 -5.059 2.564 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.209 4.720 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.582 3.243 2.020 1.00 0.00 H new ATOM 79 N ILE A 8 -2.465 4.015 -0.985 1.00 0.00 N ATOM 80 CA ILE A 8 -2.099 3.649 -2.343 1.00 0.00 C ATOM 81 C ILE A 8 -0.627 3.236 -2.376 1.00 0.00 C ATOM 82 O ILE A 8 0.128 3.672 -1.493 1.00 0.00 O ATOM 83 CB ILE A 8 -2.444 4.781 -3.313 1.00 0.00 C ATOM 84 CG1 ILE A 8 -1.204 5.614 -3.645 1.00 0.00 C ATOM 85 CG2 ILE A 8 -3.585 5.642 -2.768 1.00 0.00 C ATOM 86 CD1 ILE A 8 -1.529 6.687 -4.686 1.00 0.00 C ATOM 0 H ILE A 8 -2.326 5.001 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.678 2.788 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.794 4.338 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.824 6.085 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.414 4.964 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.810 6.439 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.471 5.023 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.288 6.078 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.631 7.265 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.886 6.211 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.302 7.350 -4.296 1.00 0.00 H new ATOM 98 N VAL A 9 -0.253 2.418 -3.375 1.00 0.00 N ATOM 99 CA VAL A 9 1.116 1.954 -3.520 1.00 0.00 C ATOM 100 C VAL A 9 1.768 2.662 -4.710 1.00 0.00 C ATOM 101 O VAL A 9 1.041 3.041 -5.640 1.00 0.00 O ATOM 102 CB VAL A 9 1.142 0.429 -3.644 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.414 -0.029 -4.910 1.00 0.00 C ATOM 104 CG2 VAL A 9 2.576 -0.100 -3.616 1.00 0.00 C ATOM 0 H VAL A 9 -0.891 2.070 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 9 1.699 2.205 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 9 0.616 0.014 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.447 -1.117 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.624 0.301 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.900 0.402 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.565 -1.186 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.138 0.327 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.049 0.181 -2.675 1.00 0.00 H new ATOM 114 N LYS A 10 3.102 2.823 -4.657 1.00 0.00 N ATOM 115 CA LYS A 10 3.841 3.479 -5.722 1.00 0.00 C ATOM 116 C LYS A 10 5.157 2.737 -5.957 1.00 0.00 C ATOM 117 O LYS A 10 5.797 2.981 -6.991 1.00 0.00 O ATOM 118 CB LYS A 10 4.020 4.967 -5.413 1.00 0.00 C ATOM 119 CG LYS A 10 2.771 5.762 -5.799 1.00 0.00 C ATOM 120 CD LYS A 10 3.024 6.608 -7.049 1.00 0.00 C ATOM 121 CE LYS A 10 3.850 7.851 -6.710 1.00 0.00 C ATOM 122 NZ LYS A 10 4.191 8.591 -7.936 1.00 0.00 N ATOM 0 H LYS A 10 3.681 2.503 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 10 3.280 3.437 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.226 5.099 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.883 5.353 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.942 5.078 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.477 6.408 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.547 6.012 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.073 6.908 -7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.288 8.495 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.762 7.559 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.751 9.432 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.745 7.979 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.318 8.886 -8.418 1.00 0.00 H new ATOM 136 N TRP A 11 5.531 1.859 -5.008 1.00 0.00 N ATOM 137 CA TRP A 11 6.761 1.091 -5.110 1.00 0.00 C ATOM 138 C TRP A 11 6.439 -0.307 -5.640 1.00 0.00 C ATOM 139 O TRP A 11 5.765 -0.407 -6.676 1.00 0.00 O ATOM 140 CB TRP A 11 7.486 1.069 -3.765 1.00 0.00 C ATOM 141 CG TRP A 11 7.504 2.419 -3.045 1.00 0.00 C ATOM 142 CD1 TRP A 11 6.459 3.142 -2.622 1.00 0.00 C ATOM 143 CD2 TRP A 11 8.674 3.183 -2.680 1.00 0.00 C ATOM 144 NE1 TRP A 11 6.867 4.312 -2.012 1.00 0.00 N ATOM 145 CE2 TRP A 11 8.257 4.337 -2.049 1.00 0.00 C ATOM 146 CE3 TRP A 11 10.038 2.907 -2.876 1.00 0.00 C ATOM 147 CZ2 TRP A 11 9.141 5.307 -1.564 1.00 0.00 C ATOM 148 CZ3 TRP A 11 10.909 3.887 -2.386 1.00 0.00 C ATOM 149 CH2 TRP A 11 10.505 5.055 -1.748 1.00 0.00 C ATOM 0 H TRP A 11 4.989 1.672 -4.164 1.00 0.00 H new ATOM 0 HA TRP A 11 7.444 1.560 -5.818 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.010 0.331 -3.119 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.513 0.739 -3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.427 2.847 -2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.261 5.026 -1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.387 2.010 -3.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 8.789 6.203 -1.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 11.969 3.725 -2.512 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.240 5.764 -1.396 1.00 0.00 H new ATOM 160 N PHE A 12 6.918 -1.345 -4.931 1.00 0.00 N ATOM 161 CA PHE A 12 6.684 -2.723 -5.327 1.00 0.00 C ATOM 162 C PHE A 12 7.594 -3.073 -6.506 1.00 0.00 C ATOM 163 O PHE A 12 7.435 -2.463 -7.574 1.00 0.00 O ATOM 164 CB PHE A 12 5.201 -2.895 -5.710 1.00 0.00 C ATOM 165 CG PHE A 12 4.965 -3.364 -7.139 1.00 0.00 C ATOM 166 CD1 PHE A 12 5.393 -4.650 -7.543 1.00 0.00 C ATOM 167 CD2 PHE A 12 4.312 -2.522 -8.068 1.00 0.00 C ATOM 168 CE1 PHE A 12 5.171 -5.088 -8.867 1.00 0.00 C ATOM 169 CE2 PHE A 12 4.091 -2.961 -9.391 1.00 0.00 C ATOM 170 CZ PHE A 12 4.520 -4.244 -9.790 1.00 0.00 C ATOM 0 H PHE A 12 7.470 -1.243 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 12 6.912 -3.396 -4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.744 -3.611 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.689 -1.944 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.891 -5.299 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.981 -1.540 -7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.500 -6.070 -9.173 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.593 -2.314 -10.098 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.350 -4.580 -10.802 1.00 0.00 H new ATOM 180 N ASN A 13 8.513 -4.031 -6.294 1.00 0.00 N ATOM 181 CA ASN A 13 9.437 -4.455 -7.332 1.00 0.00 C ATOM 182 C ASN A 13 9.569 -5.979 -7.299 1.00 0.00 C ATOM 183 O ASN A 13 9.670 -6.539 -6.199 1.00 0.00 O ATOM 184 CB ASN A 13 10.826 -3.855 -7.112 1.00 0.00 C ATOM 185 CG ASN A 13 11.922 -4.872 -7.442 1.00 0.00 C ATOM 186 OD1 ASN A 13 12.474 -4.895 -8.528 1.00 0.00 O ATOM 187 ND2 ASN A 13 12.202 -5.707 -6.444 1.00 0.00 N ATOM 0 H ASN A 13 8.627 -4.521 -5.407 1.00 0.00 H new ATOM 0 HA ASN A 13 9.046 -4.115 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.947 -2.970 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.926 -3.531 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.919 -6.423 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.700 -5.631 -5.559 1.00 0.00 H new ATOM 194 N ALA A 14 9.565 -6.610 -8.489 1.00 0.00 N ATOM 195 CA ALA A 14 9.685 -8.053 -8.595 1.00 0.00 C ATOM 196 C ALA A 14 11.096 -8.411 -9.066 1.00 0.00 C ATOM 197 O ALA A 14 11.337 -9.591 -9.362 1.00 0.00 O ATOM 198 CB ALA A 14 8.729 -8.572 -9.671 1.00 0.00 C ATOM 0 H ALA A 14 9.479 -6.130 -9.385 1.00 0.00 H new ATOM 0 HA ALA A 14 9.462 -8.490 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.822 -9.655 -9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.705 -8.313 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.979 -8.117 -10.630 1.00 0.00 H new ATOM 204 N ASP A 15 11.984 -7.403 -9.126 1.00 0.00 N ATOM 205 CA ASP A 15 13.356 -7.611 -9.557 1.00 0.00 C ATOM 206 C ASP A 15 14.205 -8.037 -8.357 1.00 0.00 C ATOM 207 O ASP A 15 14.700 -9.173 -8.359 1.00 0.00 O ATOM 208 CB ASP A 15 13.955 -6.323 -10.125 1.00 0.00 C ATOM 209 CG ASP A 15 14.994 -6.527 -11.231 1.00 0.00 C ATOM 210 OD1 ASP A 15 14.881 -7.450 -12.051 1.00 0.00 O ATOM 211 OD2 ASP A 15 15.963 -5.676 -11.231 1.00 0.00 O ATOM 0 H ASP A 15 11.764 -6.438 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 15 13.354 -8.380 -10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.146 -5.705 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.417 -5.765 -9.311 1.00 0.00 H new ATOM 216 N LYS A 16 14.351 -7.134 -7.372 1.00 0.00 N ATOM 217 CA LYS A 16 15.133 -7.414 -6.178 1.00 0.00 C ATOM 218 C LYS A 16 14.299 -8.266 -5.219 1.00 0.00 C ATOM 219 O LYS A 16 14.895 -8.977 -4.394 1.00 0.00 O ATOM 220 CB LYS A 16 15.648 -6.115 -5.558 1.00 0.00 C ATOM 221 CG LYS A 16 14.521 -5.361 -4.850 1.00 0.00 C ATOM 222 CD LYS A 16 15.017 -4.732 -3.545 1.00 0.00 C ATOM 223 CE LYS A 16 16.380 -4.065 -3.741 1.00 0.00 C ATOM 224 NZ LYS A 16 16.401 -3.294 -4.993 1.00 0.00 N ATOM 0 H LYS A 16 13.932 -6.204 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 16 16.022 -7.992 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.444 -6.338 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.081 -5.484 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.130 -4.584 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.698 -6.044 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.294 -3.995 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.091 -5.498 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.594 -3.407 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.163 -4.823 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.867 -2.379 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.924 -3.824 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.426 -3.133 -5.318 1.00 0.00 H new ATOM 238 N GLY A 17 12.963 -8.183 -5.343 1.00 0.00 N ATOM 239 CA GLY A 17 12.062 -8.941 -4.493 1.00 0.00 C ATOM 240 C GLY A 17 11.711 -8.108 -3.258 1.00 0.00 C ATOM 241 O GLY A 17 12.160 -8.465 -2.158 1.00 0.00 O ATOM 0 H GLY A 17 12.493 -7.593 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.156 -9.198 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.530 -9.879 -4.193 1.00 0.00 H new ATOM 245 N PHE A 18 10.929 -7.033 -3.460 1.00 0.00 N ATOM 246 CA PHE A 18 10.526 -6.160 -2.370 1.00 0.00 C ATOM 247 C PHE A 18 9.547 -5.109 -2.899 1.00 0.00 C ATOM 248 O PHE A 18 9.476 -4.935 -4.125 1.00 0.00 O ATOM 249 CB PHE A 18 11.773 -5.491 -1.764 1.00 0.00 C ATOM 250 CG PHE A 18 12.021 -4.065 -2.237 1.00 0.00 C ATOM 251 CD1 PHE A 18 11.933 -3.741 -3.612 1.00 0.00 C ATOM 252 CD2 PHE A 18 12.348 -3.055 -1.303 1.00 0.00 C ATOM 253 CE1 PHE A 18 12.167 -2.419 -4.045 1.00 0.00 C ATOM 254 CE2 PHE A 18 12.582 -1.733 -1.737 1.00 0.00 C ATOM 255 CZ PHE A 18 12.492 -1.415 -3.110 1.00 0.00 C ATOM 0 H PHE A 18 10.569 -6.757 -4.373 1.00 0.00 H new ATOM 0 HA PHE A 18 10.029 -6.738 -1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.676 -5.488 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 18 12.647 -6.097 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.686 -4.508 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.419 -3.297 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.097 -2.175 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.830 -0.965 -1.020 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.672 -0.404 -3.443 1.00 0.00 H new ATOM 265 N GLY A 19 8.827 -4.440 -1.982 1.00 0.00 N ATOM 266 CA GLY A 19 7.865 -3.418 -2.356 1.00 0.00 C ATOM 267 C GLY A 19 7.688 -2.441 -1.191 1.00 0.00 C ATOM 268 O GLY A 19 8.199 -2.726 -0.099 1.00 0.00 O ATOM 0 H GLY A 19 8.902 -4.598 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.208 -2.886 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.909 -3.877 -2.610 1.00 0.00 H new ATOM 272 N PHE A 20 6.978 -1.326 -1.441 1.00 0.00 N ATOM 273 CA PHE A 20 6.737 -0.321 -0.420 1.00 0.00 C ATOM 274 C PHE A 20 5.402 0.373 -0.699 1.00 0.00 C ATOM 275 O PHE A 20 5.202 0.833 -1.832 1.00 0.00 O ATOM 276 CB PHE A 20 7.894 0.698 -0.427 1.00 0.00 C ATOM 277 CG PHE A 20 8.855 0.575 0.747 1.00 0.00 C ATOM 278 CD1 PHE A 20 8.508 1.104 2.012 1.00 0.00 C ATOM 279 CD2 PHE A 20 10.104 -0.065 0.578 1.00 0.00 C ATOM 280 CE1 PHE A 20 9.402 0.993 3.098 1.00 0.00 C ATOM 281 CE2 PHE A 20 10.997 -0.176 1.664 1.00 0.00 C ATOM 282 CZ PHE A 20 10.647 0.353 2.924 1.00 0.00 C ATOM 0 H PHE A 20 6.565 -1.109 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 20 6.688 -0.788 0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.457 0.583 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.474 1.704 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.555 1.595 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.375 -0.470 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.133 1.398 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.950 -0.667 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.332 0.268 3.755 1.00 0.00 H new ATOM 292 N ILE A 21 4.530 0.432 0.323 1.00 0.00 N ATOM 293 CA ILE A 21 3.227 1.064 0.189 1.00 0.00 C ATOM 294 C ILE A 21 3.342 2.542 0.570 1.00 0.00 C ATOM 295 O ILE A 21 4.372 2.927 1.140 1.00 0.00 O ATOM 296 CB ILE A 21 2.176 0.300 0.997 1.00 0.00 C ATOM 297 CG1 ILE A 21 1.660 -0.912 0.217 1.00 0.00 C ATOM 298 CG2 ILE A 21 1.039 1.228 1.433 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.202 -0.714 -0.200 1.00 0.00 C ATOM 0 H ILE A 21 4.715 0.046 1.249 1.00 0.00 H new ATOM 0 HA ILE A 21 2.888 1.026 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 21 2.649 -0.078 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.277 -1.069 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.748 -1.809 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.305 0.660 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.441 2.030 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.560 1.655 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.140 -1.589 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.416 -0.581 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.121 0.169 -0.833 1.00 0.00 H new ATOM 311 N THR A 22 2.298 3.327 0.250 1.00 0.00 N ATOM 312 CA THR A 22 2.280 4.748 0.556 1.00 0.00 C ATOM 313 C THR A 22 0.909 5.128 1.118 1.00 0.00 C ATOM 314 O THR A 22 -0.009 5.367 0.320 1.00 0.00 O ATOM 315 CB THR A 22 2.656 5.524 -0.709 1.00 0.00 C ATOM 316 OG1 THR A 22 4.060 5.730 -0.586 1.00 0.00 O ATOM 317 CG2 THR A 22 2.071 6.938 -0.721 1.00 0.00 C ATOM 0 H THR A 22 1.459 2.990 -0.222 1.00 0.00 H new ATOM 0 HA THR A 22 3.011 5.003 1.323 1.00 0.00 H new ATOM 0 HB THR A 22 2.309 4.979 -1.587 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.388 6.225 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.367 7.446 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.984 6.882 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.445 7.494 0.138 1.00 0.00 H new ATOM 325 N PRO A 23 0.799 5.174 2.458 1.00 0.00 N ATOM 326 CA PRO A 23 -0.430 5.519 3.151 1.00 0.00 C ATOM 327 C PRO A 23 -0.703 7.021 3.071 1.00 0.00 C ATOM 328 O PRO A 23 0.169 7.803 3.478 1.00 0.00 O ATOM 329 CB PRO A 23 -0.230 5.026 4.575 1.00 0.00 C ATOM 330 CG PRO A 23 1.268 4.847 4.747 1.00 0.00 C ATOM 331 CD PRO A 23 1.905 4.886 3.368 1.00 0.00 C ATOM 0 HA PRO A 23 -1.309 5.056 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.623 5.743 5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.757 4.086 4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.676 5.636 5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.485 3.900 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.676 5.654 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.381 3.936 3.125 1.00 0.00 H new ATOM 339 N ASP A 24 -1.889 7.391 2.553 1.00 0.00 N ATOM 340 CA ASP A 24 -2.270 8.787 2.421 1.00 0.00 C ATOM 341 C ASP A 24 -1.929 9.529 3.715 1.00 0.00 C ATOM 342 O ASP A 24 -1.025 10.377 3.689 1.00 0.00 O ATOM 343 CB ASP A 24 -3.774 8.926 2.180 1.00 0.00 C ATOM 344 CG ASP A 24 -4.636 7.831 2.810 1.00 0.00 C ATOM 345 OD1 ASP A 24 -4.513 6.665 2.273 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.386 8.079 3.766 1.00 0.00 O ATOM 0 H ASP A 24 -2.593 6.732 2.222 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.728 9.206 1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.100 9.891 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.955 8.936 1.105 1.00 0.00 H new ATOM 351 N ASP A 25 -2.645 9.200 4.806 1.00 0.00 N ATOM 352 CA ASP A 25 -2.420 9.829 6.095 1.00 0.00 C ATOM 353 C ASP A 25 -0.981 9.567 6.541 1.00 0.00 C ATOM 354 O ASP A 25 -0.401 10.435 7.209 1.00 0.00 O ATOM 355 CB ASP A 25 -3.357 9.256 7.159 1.00 0.00 C ATOM 356 CG ASP A 25 -3.159 9.821 8.568 1.00 0.00 C ATOM 357 OD1 ASP A 25 -2.968 11.097 8.622 1.00 0.00 O ATOM 358 OD2 ASP A 25 -3.186 9.081 9.562 1.00 0.00 O ATOM 0 H ASP A 25 -3.385 8.498 4.807 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.609 10.897 5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.387 9.440 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.223 8.175 7.195 1.00 0.00 H new ATOM 363 N GLY A 26 -0.440 8.392 6.169 1.00 0.00 N ATOM 364 CA GLY A 26 0.918 8.022 6.530 1.00 0.00 C ATOM 365 C GLY A 26 1.874 8.463 5.418 1.00 0.00 C ATOM 366 O GLY A 26 2.361 7.593 4.681 1.00 0.00 O ATOM 0 H GLY A 26 -0.933 7.690 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.197 8.492 7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.987 6.944 6.678 1.00 0.00 H new ATOM 370 N SER A 27 2.117 9.782 5.322 1.00 0.00 N ATOM 371 CA SER A 27 3.005 10.328 4.310 1.00 0.00 C ATOM 372 C SER A 27 4.233 9.425 4.173 1.00 0.00 C ATOM 373 O SER A 27 4.773 9.328 3.062 1.00 0.00 O ATOM 374 CB SER A 27 3.433 11.758 4.653 1.00 0.00 C ATOM 375 OG SER A 27 2.910 12.707 3.729 1.00 0.00 O ATOM 0 H SER A 27 1.705 10.481 5.939 1.00 0.00 H new ATOM 0 HA SER A 27 2.468 10.365 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.094 12.007 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.521 11.819 4.659 1.00 0.00 H new ATOM 0 HG SER A 27 3.204 13.607 3.983 1.00 0.00 H new ATOM 381 N LYS A 28 4.642 8.793 5.288 1.00 0.00 N ATOM 382 CA LYS A 28 5.794 7.907 5.291 1.00 0.00 C ATOM 383 C LYS A 28 5.543 6.745 4.327 1.00 0.00 C ATOM 384 O LYS A 28 4.565 6.810 3.570 1.00 0.00 O ATOM 385 CB LYS A 28 6.124 7.463 6.717 1.00 0.00 C ATOM 386 CG LYS A 28 6.915 8.543 7.459 1.00 0.00 C ATOM 387 CD LYS A 28 5.981 9.612 8.030 1.00 0.00 C ATOM 388 CE LYS A 28 6.390 9.993 9.454 1.00 0.00 C ATOM 389 NZ LYS A 28 6.540 11.452 9.573 1.00 0.00 N ATOM 0 H LYS A 28 4.183 8.887 6.194 1.00 0.00 H new ATOM 0 HA LYS A 28 6.679 8.432 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.202 7.247 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.701 6.539 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.489 8.088 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.631 9.006 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.002 10.496 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.956 9.242 8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.640 9.640 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.328 9.502 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.818 11.694 10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.272 11.781 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.636 11.914 9.346 1.00 0.00 H new ATOM 403 N ASP A 29 6.416 5.724 4.375 1.00 0.00 N ATOM 404 CA ASP A 29 6.289 4.561 3.513 1.00 0.00 C ATOM 405 C ASP A 29 6.579 3.296 4.323 1.00 0.00 C ATOM 406 O ASP A 29 7.480 3.336 5.176 1.00 0.00 O ATOM 407 CB ASP A 29 7.289 4.622 2.357 1.00 0.00 C ATOM 408 CG ASP A 29 8.625 5.289 2.690 1.00 0.00 C ATOM 409 OD1 ASP A 29 9.387 4.618 3.484 1.00 0.00 O ATOM 410 OD2 ASP A 29 8.922 6.395 2.214 1.00 0.00 O ATOM 0 H ASP A 29 7.216 5.691 5.007 1.00 0.00 H new ATOM 0 HA ASP A 29 5.275 4.547 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.484 3.607 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.829 5.159 1.527 1.00 0.00 H new ATOM 415 N VAL A 30 5.823 2.219 4.049 1.00 0.00 N ATOM 416 CA VAL A 30 5.999 0.957 4.748 1.00 0.00 C ATOM 417 C VAL A 30 6.436 -0.117 3.750 1.00 0.00 C ATOM 418 O VAL A 30 6.016 -0.047 2.585 1.00 0.00 O ATOM 419 CB VAL A 30 4.715 0.590 5.495 1.00 0.00 C ATOM 420 CG1 VAL A 30 4.481 1.534 6.677 1.00 0.00 C ATOM 421 CG2 VAL A 30 3.513 0.585 4.550 1.00 0.00 C ATOM 0 H VAL A 30 5.085 2.208 3.345 1.00 0.00 H new ATOM 0 HA VAL A 30 6.784 1.043 5.499 1.00 0.00 H new ATOM 0 HB VAL A 30 4.833 -0.419 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.562 1.252 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.320 1.465 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.394 2.558 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.614 0.321 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.391 1.575 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.676 -0.145 3.757 1.00 0.00 H new ATOM 431 N PHE A 31 7.257 -1.075 4.216 1.00 0.00 N ATOM 432 CA PHE A 31 7.744 -2.151 3.371 1.00 0.00 C ATOM 433 C PHE A 31 6.612 -3.149 3.120 1.00 0.00 C ATOM 434 O PHE A 31 5.798 -3.359 4.030 1.00 0.00 O ATOM 435 CB PHE A 31 8.936 -2.840 4.063 1.00 0.00 C ATOM 436 CG PHE A 31 8.701 -3.201 5.524 1.00 0.00 C ATOM 437 CD1 PHE A 31 8.709 -2.195 6.519 1.00 0.00 C ATOM 438 CD2 PHE A 31 8.479 -4.548 5.893 1.00 0.00 C ATOM 439 CE1 PHE A 31 8.494 -2.535 7.873 1.00 0.00 C ATOM 440 CE2 PHE A 31 8.265 -4.886 7.247 1.00 0.00 C ATOM 441 CZ PHE A 31 8.272 -3.880 8.237 1.00 0.00 C ATOM 0 H PHE A 31 7.591 -1.115 5.179 1.00 0.00 H new ATOM 0 HA PHE A 31 8.078 -1.754 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.182 -3.748 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.804 -2.184 4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.880 -1.165 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.473 -5.320 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.500 -1.765 8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.096 -5.916 7.526 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.108 -4.140 9.272 1.00 0.00 H new ATOM 451 N VAL A 32 6.582 -3.734 1.909 1.00 0.00 N ATOM 452 CA VAL A 32 5.560 -4.699 1.544 1.00 0.00 C ATOM 453 C VAL A 32 6.099 -5.618 0.446 1.00 0.00 C ATOM 454 O VAL A 32 7.174 -5.321 -0.095 1.00 0.00 O ATOM 455 CB VAL A 32 4.275 -3.972 1.140 1.00 0.00 C ATOM 456 CG1 VAL A 32 4.584 -2.580 0.587 1.00 0.00 C ATOM 457 CG2 VAL A 32 3.474 -4.798 0.131 1.00 0.00 C ATOM 0 H VAL A 32 7.262 -3.546 1.172 1.00 0.00 H new ATOM 0 HA VAL A 32 5.307 -5.328 2.397 1.00 0.00 H new ATOM 0 HB VAL A 32 3.663 -3.849 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.654 -2.085 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.094 -1.991 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.225 -2.671 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.566 -4.260 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.077 -4.966 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.208 -5.757 0.575 1.00 0.00 H new ATOM 467 N HIS A 33 5.354 -6.697 0.144 1.00 0.00 N ATOM 468 CA HIS A 33 5.756 -7.647 -0.880 1.00 0.00 C ATOM 469 C HIS A 33 4.540 -8.013 -1.735 1.00 0.00 C ATOM 470 O HIS A 33 3.411 -7.893 -1.235 1.00 0.00 O ATOM 471 CB HIS A 33 6.432 -8.869 -0.256 1.00 0.00 C ATOM 472 CG HIS A 33 7.877 -9.045 -0.661 1.00 0.00 C ATOM 473 ND1 HIS A 33 8.256 -9.486 -1.916 1.00 0.00 N ATOM 474 CD2 HIS A 33 9.030 -8.833 0.038 1.00 0.00 C ATOM 475 CE1 HIS A 33 9.578 -9.535 -1.960 1.00 0.00 C ATOM 476 NE2 HIS A 33 10.057 -9.129 -0.748 1.00 0.00 N ATOM 0 H HIS A 33 4.471 -6.923 0.602 1.00 0.00 H new ATOM 0 HA HIS A 33 6.499 -7.193 -1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.377 -8.787 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.875 -9.763 -0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.095 -8.484 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.174 -9.842 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.042 -9.064 -0.489 1.00 0.00 H new ATOM 484 N PHE A 34 4.791 -8.442 -2.984 1.00 0.00 N ATOM 485 CA PHE A 34 3.725 -8.821 -3.896 1.00 0.00 C ATOM 486 C PHE A 34 2.765 -9.776 -3.184 1.00 0.00 C ATOM 487 O PHE A 34 1.632 -9.939 -3.661 1.00 0.00 O ATOM 488 CB PHE A 34 4.337 -9.488 -5.143 1.00 0.00 C ATOM 489 CG PHE A 34 5.121 -10.762 -4.861 1.00 0.00 C ATOM 490 CD1 PHE A 34 6.505 -10.701 -4.573 1.00 0.00 C ATOM 491 CD2 PHE A 34 4.469 -12.017 -4.891 1.00 0.00 C ATOM 492 CE1 PHE A 34 7.228 -11.885 -4.317 1.00 0.00 C ATOM 493 CE2 PHE A 34 5.194 -13.200 -4.635 1.00 0.00 C ATOM 494 CZ PHE A 34 6.573 -13.134 -4.346 1.00 0.00 C ATOM 0 H PHE A 34 5.729 -8.531 -3.375 1.00 0.00 H new ATOM 0 HA PHE A 34 3.167 -7.939 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.536 -9.718 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.996 -8.773 -5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.009 -9.746 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.413 -12.070 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.284 -11.835 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.693 -14.156 -4.660 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.127 -14.039 -4.147 1.00 0.00 H new ATOM 504 N SER A 35 3.230 -10.379 -2.075 1.00 0.00 N ATOM 505 CA SER A 35 2.417 -11.309 -1.307 1.00 0.00 C ATOM 506 C SER A 35 1.614 -10.534 -0.260 1.00 0.00 C ATOM 507 O SER A 35 1.517 -11.011 0.880 1.00 0.00 O ATOM 508 CB SER A 35 3.279 -12.377 -0.631 1.00 0.00 C ATOM 509 OG SER A 35 2.496 -13.283 0.142 1.00 0.00 O ATOM 0 H SER A 35 4.167 -10.232 -1.699 1.00 0.00 H new ATOM 0 HA SER A 35 1.736 -11.819 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.831 -12.931 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.016 -11.895 0.011 1.00 0.00 H new ATOM 0 HG SER A 35 1.858 -12.779 0.690 1.00 0.00 H new ATOM 515 N ALA A 36 1.065 -9.373 -0.661 1.00 0.00 N ATOM 516 CA ALA A 36 0.280 -8.544 0.237 1.00 0.00 C ATOM 517 C ALA A 36 -0.911 -7.960 -0.527 1.00 0.00 C ATOM 518 O ALA A 36 -1.953 -7.720 0.100 1.00 0.00 O ATOM 519 CB ALA A 36 1.118 -7.350 0.701 1.00 0.00 C ATOM 0 H ALA A 36 1.158 -8.998 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.041 -9.156 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.526 -6.730 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.005 -7.709 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.420 -6.760 -0.164 1.00 0.00 H new ATOM 525 N ILE A 37 -0.737 -7.747 -1.843 1.00 0.00 N ATOM 526 CA ILE A 37 -1.788 -7.197 -2.681 1.00 0.00 C ATOM 527 C ILE A 37 -2.951 -8.189 -2.750 1.00 0.00 C ATOM 528 O ILE A 37 -3.806 -8.035 -3.634 1.00 0.00 O ATOM 529 CB ILE A 37 -1.231 -6.805 -4.051 1.00 0.00 C ATOM 530 CG1 ILE A 37 -2.329 -6.211 -4.938 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.534 -7.991 -4.720 1.00 0.00 C ATOM 532 CD1 ILE A 37 -2.668 -7.153 -6.096 1.00 0.00 C ATOM 0 H ILE A 37 0.130 -7.952 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.179 -6.277 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.478 -6.030 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.222 -6.026 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.003 -5.248 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.147 -7.685 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.290 -8.330 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.247 -8.804 -4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.450 -6.707 -6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.778 -7.317 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.017 -8.106 -5.699 1.00 0.00 H new ATOM 544 N GLN A 38 -2.959 -9.172 -1.833 1.00 0.00 N ATOM 545 CA GLN A 38 -4.007 -10.178 -1.790 1.00 0.00 C ATOM 546 C GLN A 38 -5.369 -9.494 -1.901 1.00 0.00 C ATOM 547 O GLN A 38 -5.843 -8.954 -0.891 1.00 0.00 O ATOM 548 CB GLN A 38 -3.921 -11.026 -0.519 1.00 0.00 C ATOM 549 CG GLN A 38 -5.314 -11.429 -0.034 1.00 0.00 C ATOM 550 CD GLN A 38 -5.674 -10.709 1.266 1.00 0.00 C ATOM 551 OE1 GLN A 38 -6.465 -11.179 2.069 1.00 0.00 O ATOM 552 NE2 GLN A 38 -5.050 -9.546 1.430 1.00 0.00 N ATOM 0 H GLN A 38 -2.244 -9.282 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.875 -10.856 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.327 -11.919 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.408 -10.465 0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.052 -11.193 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.350 -12.507 0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.400 -9.211 0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.221 -8.989 2.267 1.00 0.00 H new ATOM 561 N ASN A 39 -5.963 -9.527 -3.108 1.00 0.00 N ATOM 562 CA ASN A 39 -7.260 -8.913 -3.346 1.00 0.00 C ATOM 563 C ASN A 39 -8.221 -9.964 -3.904 1.00 0.00 C ATOM 564 O ASN A 39 -7.880 -11.156 -3.867 1.00 0.00 O ATOM 565 CB ASN A 39 -7.154 -7.781 -4.367 1.00 0.00 C ATOM 566 CG ASN A 39 -8.401 -6.894 -4.334 1.00 0.00 C ATOM 567 OD1 ASN A 39 -8.923 -6.475 -5.354 1.00 0.00 O ATOM 568 ND2 ASN A 39 -8.847 -6.633 -3.109 1.00 0.00 N ATOM 0 H ASN A 39 -5.555 -9.976 -3.928 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.622 -8.512 -2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.270 -7.179 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.026 -8.198 -5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.674 -6.050 -2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.362 -7.016 -2.297 1.00 0.00 H new ATOM 575 N ASP A 40 -9.387 -9.512 -4.399 1.00 0.00 N ATOM 576 CA ASP A 40 -10.386 -10.406 -4.959 1.00 0.00 C ATOM 577 C ASP A 40 -9.697 -11.436 -5.855 1.00 0.00 C ATOM 578 O ASP A 40 -10.069 -12.618 -5.790 1.00 0.00 O ATOM 579 CB ASP A 40 -11.397 -9.638 -5.811 1.00 0.00 C ATOM 580 CG ASP A 40 -10.812 -8.484 -6.627 1.00 0.00 C ATOM 581 OD1 ASP A 40 -9.988 -8.693 -7.530 1.00 0.00 O ATOM 582 OD2 ASP A 40 -11.238 -7.311 -6.297 1.00 0.00 O ATOM 0 H ASP A 40 -9.650 -8.527 -4.417 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.906 -10.890 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.880 -10.337 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.174 -9.243 -5.157 1.00 0.00 H new ATOM 587 N GLY A 41 -8.723 -10.977 -6.661 1.00 0.00 N ATOM 588 CA GLY A 41 -7.991 -11.853 -7.561 1.00 0.00 C ATOM 589 C GLY A 41 -6.759 -11.118 -8.091 1.00 0.00 C ATOM 590 O GLY A 41 -5.723 -11.769 -8.289 1.00 0.00 O ATOM 0 H GLY A 41 -8.432 -10.000 -6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.690 -12.761 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.630 -12.159 -8.389 1.00 0.00 H new ATOM 594 N TYR A 42 -6.894 -9.797 -8.309 1.00 0.00 N ATOM 595 CA TYR A 42 -5.762 -9.042 -8.817 1.00 0.00 C ATOM 596 C TYR A 42 -4.507 -9.416 -8.026 1.00 0.00 C ATOM 597 O TYR A 42 -4.517 -9.236 -6.799 1.00 0.00 O ATOM 598 CB TYR A 42 -6.056 -7.532 -8.744 1.00 0.00 C ATOM 599 CG TYR A 42 -5.376 -6.703 -9.824 1.00 0.00 C ATOM 600 CD1 TYR A 42 -5.744 -6.854 -11.181 1.00 0.00 C ATOM 601 CD2 TYR A 42 -4.366 -5.778 -9.474 1.00 0.00 C ATOM 602 CE1 TYR A 42 -5.108 -6.086 -12.179 1.00 0.00 C ATOM 603 CE2 TYR A 42 -3.731 -5.008 -10.472 1.00 0.00 C ATOM 604 CZ TYR A 42 -4.102 -5.161 -11.826 1.00 0.00 C ATOM 605 OH TYR A 42 -3.483 -4.413 -12.789 1.00 0.00 O ATOM 0 H TYR A 42 -7.745 -9.258 -8.146 1.00 0.00 H new ATOM 0 HA TYR A 42 -5.590 -9.290 -9.864 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.133 -7.381 -8.812 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.743 -7.161 -7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.515 -7.560 -11.454 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.079 -5.660 -8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.391 -6.206 -13.214 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.961 -4.301 -10.200 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.887 -3.761 -12.364 1.00 0.00 H new ATOM 615 N LYS A 43 -3.476 -9.926 -8.721 1.00 0.00 N ATOM 616 CA LYS A 43 -2.236 -10.328 -8.077 1.00 0.00 C ATOM 617 C LYS A 43 -1.110 -9.391 -8.518 1.00 0.00 C ATOM 618 O LYS A 43 -1.090 -9.008 -9.697 1.00 0.00 O ATOM 619 CB LYS A 43 -1.948 -11.806 -8.349 1.00 0.00 C ATOM 620 CG LYS A 43 -1.340 -12.481 -7.116 1.00 0.00 C ATOM 621 CD LYS A 43 -2.427 -13.147 -6.267 1.00 0.00 C ATOM 622 CE LYS A 43 -2.948 -12.188 -5.195 1.00 0.00 C ATOM 623 NZ LYS A 43 -1.847 -11.730 -4.332 1.00 0.00 N ATOM 0 H LYS A 43 -3.487 -10.066 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.321 -10.236 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.870 -12.315 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.264 -11.898 -9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.609 -13.227 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.807 -11.742 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.250 -13.465 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.026 -14.044 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.428 -11.331 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.707 -12.686 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.126 -11.823 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.002 -12.310 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.634 -10.734 -4.541 1.00 0.00 H new ATOM 637 N SER A 44 -0.212 -9.045 -7.579 1.00 0.00 N ATOM 638 CA SER A 44 0.904 -8.162 -7.868 1.00 0.00 C ATOM 639 C SER A 44 0.421 -6.712 -7.843 1.00 0.00 C ATOM 640 O SER A 44 -0.629 -6.428 -8.439 1.00 0.00 O ATOM 641 CB SER A 44 1.537 -8.487 -9.224 1.00 0.00 C ATOM 642 OG SER A 44 1.354 -9.851 -9.587 1.00 0.00 O ATOM 0 H SER A 44 -0.248 -9.371 -6.613 1.00 0.00 H new ATOM 0 HA SER A 44 1.668 -8.308 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.100 -7.847 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.603 -8.261 -9.190 1.00 0.00 H new ATOM 0 HG SER A 44 0.504 -9.951 -10.065 1.00 0.00 H new ATOM 648 N LEU A 45 1.182 -5.834 -7.163 1.00 0.00 N ATOM 649 CA LEU A 45 0.833 -4.427 -7.062 1.00 0.00 C ATOM 650 C LEU A 45 0.889 -3.792 -8.453 1.00 0.00 C ATOM 651 O LEU A 45 1.457 -4.412 -9.363 1.00 0.00 O ATOM 652 CB LEU A 45 1.721 -3.728 -6.031 1.00 0.00 C ATOM 653 CG LEU A 45 1.580 -4.215 -4.586 1.00 0.00 C ATOM 654 CD1 LEU A 45 0.238 -3.785 -3.991 1.00 0.00 C ATOM 655 CD2 LEU A 45 1.790 -5.727 -4.495 1.00 0.00 C ATOM 0 H LEU A 45 2.043 -6.087 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.188 -4.312 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.761 -3.849 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.503 -2.660 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 45 2.361 -3.745 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.164 -4.144 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.167 -2.697 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.574 -4.207 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.685 -6.047 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.047 -6.235 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.789 -5.978 -4.852 1.00 0.00 H new ATOM 667 N ASP A 46 0.308 -2.585 -8.587 1.00 0.00 N ATOM 668 CA ASP A 46 0.292 -1.876 -9.856 1.00 0.00 C ATOM 669 C ASP A 46 1.125 -0.600 -9.730 1.00 0.00 C ATOM 670 O ASP A 46 0.886 0.340 -10.502 1.00 0.00 O ATOM 671 CB ASP A 46 -1.132 -1.473 -10.243 1.00 0.00 C ATOM 672 CG ASP A 46 -1.469 -1.638 -11.727 1.00 0.00 C ATOM 673 OD1 ASP A 46 -0.668 -1.291 -12.606 1.00 0.00 O ATOM 674 OD2 ASP A 46 -2.626 -2.155 -11.969 1.00 0.00 O ATOM 0 H ASP A 46 -0.154 -2.090 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 46 0.700 -2.539 -10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.834 -2.068 -9.658 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.287 -0.431 -9.964 1.00 0.00 H new ATOM 679 N GLU A 47 2.075 -0.592 -8.776 1.00 0.00 N ATOM 680 CA GLU A 47 2.934 0.559 -8.556 1.00 0.00 C ATOM 681 C GLU A 47 2.141 1.841 -8.814 1.00 0.00 C ATOM 682 O GLU A 47 2.639 2.704 -9.551 1.00 0.00 O ATOM 683 CB GLU A 47 4.186 0.503 -9.434 1.00 0.00 C ATOM 684 CG GLU A 47 3.812 0.392 -10.915 1.00 0.00 C ATOM 685 CD GLU A 47 5.042 0.581 -11.806 1.00 0.00 C ATOM 686 OE1 GLU A 47 6.076 1.080 -11.337 1.00 0.00 O ATOM 687 OE2 GLU A 47 4.896 0.186 -13.025 1.00 0.00 O ATOM 0 H GLU A 47 2.258 -1.377 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 47 3.272 0.548 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.788 1.397 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.800 -0.350 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.364 -0.583 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.061 1.142 -11.162 1.00 0.00 H new ATOM 694 N GLY A 48 0.940 1.938 -8.214 1.00 0.00 N ATOM 695 CA GLY A 48 0.090 3.104 -8.378 1.00 0.00 C ATOM 696 C GLY A 48 -1.376 2.667 -8.346 1.00 0.00 C ATOM 697 O GLY A 48 -1.957 2.471 -9.424 1.00 0.00 O ATOM 0 H GLY A 48 0.547 1.214 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.284 3.825 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.313 3.602 -9.322 1.00 0.00 H new ATOM 701 N GLN A 49 -1.937 2.527 -7.131 1.00 0.00 N ATOM 702 CA GLN A 49 -3.321 2.119 -6.964 1.00 0.00 C ATOM 703 C GLN A 49 -3.694 2.188 -5.482 1.00 0.00 C ATOM 704 O GLN A 49 -2.844 1.854 -4.644 1.00 0.00 O ATOM 705 CB GLN A 49 -3.565 0.716 -7.526 1.00 0.00 C ATOM 706 CG GLN A 49 -2.407 -0.222 -7.180 1.00 0.00 C ATOM 707 CD GLN A 49 -2.927 -1.580 -6.704 1.00 0.00 C ATOM 708 OE1 GLN A 49 -2.414 -2.176 -5.772 1.00 0.00 O ATOM 709 NE2 GLN A 49 -3.969 -2.032 -7.395 1.00 0.00 N ATOM 0 H GLN A 49 -1.441 2.694 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.957 2.802 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.495 0.315 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.684 0.769 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.770 -0.358 -8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.789 0.228 -6.403 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.349 -1.481 -8.165 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.389 -2.930 -7.156 1.00 0.00 H new ATOM 718 N LYS A 50 -4.936 2.613 -5.193 1.00 0.00 N ATOM 719 CA LYS A 50 -5.413 2.724 -3.825 1.00 0.00 C ATOM 720 C LYS A 50 -5.800 1.336 -3.310 1.00 0.00 C ATOM 721 O LYS A 50 -6.504 0.615 -4.031 1.00 0.00 O ATOM 722 CB LYS A 50 -6.543 3.751 -3.732 1.00 0.00 C ATOM 723 CG LYS A 50 -6.680 4.290 -2.307 1.00 0.00 C ATOM 724 CD LYS A 50 -6.680 5.820 -2.297 1.00 0.00 C ATOM 725 CE LYS A 50 -8.098 6.370 -2.461 1.00 0.00 C ATOM 726 NZ LYS A 50 -8.936 5.984 -1.314 1.00 0.00 N ATOM 0 H LYS A 50 -5.621 2.883 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.621 3.097 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.348 4.575 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.482 3.293 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.603 3.920 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.859 3.919 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.252 6.181 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.046 6.192 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.066 7.456 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.537 5.991 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.682 6.695 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.371 5.057 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.348 5.927 -0.458 1.00 0.00 H new ATOM 740 N VAL A 51 -5.341 0.996 -2.092 1.00 0.00 N ATOM 741 CA VAL A 51 -5.637 -0.294 -1.490 1.00 0.00 C ATOM 742 C VAL A 51 -5.666 -0.146 0.032 1.00 0.00 C ATOM 743 O VAL A 51 -5.136 0.854 0.538 1.00 0.00 O ATOM 744 CB VAL A 51 -4.628 -1.339 -1.969 1.00 0.00 C ATOM 745 CG1 VAL A 51 -4.289 -1.137 -3.448 1.00 0.00 C ATOM 746 CG2 VAL A 51 -3.363 -1.315 -1.110 1.00 0.00 C ATOM 0 H VAL A 51 -4.763 1.606 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.621 -0.644 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.088 -2.321 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.570 -1.893 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.196 -1.228 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.859 -0.146 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.663 -2.068 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.900 -0.330 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.623 -1.530 -0.074 1.00 0.00 H new ATOM 756 N SER A 52 -6.276 -1.127 0.720 1.00 0.00 N ATOM 757 CA SER A 52 -6.373 -1.106 2.171 1.00 0.00 C ATOM 758 C SER A 52 -5.045 -1.570 2.773 1.00 0.00 C ATOM 759 O SER A 52 -4.248 -2.181 2.043 1.00 0.00 O ATOM 760 CB SER A 52 -7.519 -1.987 2.669 1.00 0.00 C ATOM 761 OG SER A 52 -7.045 -3.121 3.391 1.00 0.00 O ATOM 0 H SER A 52 -6.707 -1.942 0.283 1.00 0.00 H new ATOM 0 HA SER A 52 -6.584 -0.085 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.177 -1.399 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.115 -2.321 1.820 1.00 0.00 H new ATOM 0 HG SER A 52 -7.807 -3.658 3.694 1.00 0.00 H new ATOM 767 N PHE A 53 -4.836 -1.278 4.068 1.00 0.00 N ATOM 768 CA PHE A 53 -3.617 -1.664 4.757 1.00 0.00 C ATOM 769 C PHE A 53 -3.870 -1.670 6.267 1.00 0.00 C ATOM 770 O PHE A 53 -4.649 -0.830 6.737 1.00 0.00 O ATOM 771 CB PHE A 53 -2.494 -0.672 4.396 1.00 0.00 C ATOM 772 CG PHE A 53 -2.509 0.624 5.197 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.254 0.608 6.587 1.00 0.00 C ATOM 774 CD2 PHE A 53 -2.786 1.851 4.551 1.00 0.00 C ATOM 775 CE1 PHE A 53 -2.273 1.810 7.326 1.00 0.00 C ATOM 776 CE2 PHE A 53 -2.804 3.053 5.291 1.00 0.00 C ATOM 777 CZ PHE A 53 -2.548 3.033 6.677 1.00 0.00 C ATOM 0 H PHE A 53 -5.505 -0.774 4.651 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.312 -2.665 4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.532 -1.163 4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.569 -0.429 3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.044 -0.327 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.984 1.869 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.077 1.794 8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.014 3.989 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.562 3.953 7.242 1.00 0.00 H new ATOM 787 N THR A 54 -3.218 -2.605 6.982 1.00 0.00 N ATOM 788 CA THR A 54 -3.370 -2.717 8.423 1.00 0.00 C ATOM 789 C THR A 54 -2.000 -2.960 9.059 1.00 0.00 C ATOM 790 O THR A 54 -1.884 -3.893 9.867 1.00 0.00 O ATOM 791 CB THR A 54 -4.385 -3.823 8.721 1.00 0.00 C ATOM 792 OG1 THR A 54 -3.600 -5.011 8.762 1.00 0.00 O ATOM 793 CG2 THR A 54 -5.354 -4.058 7.562 1.00 0.00 C ATOM 0 H THR A 54 -2.582 -3.290 6.573 1.00 0.00 H new ATOM 0 HA THR A 54 -3.756 -1.796 8.859 1.00 0.00 H new ATOM 0 HB THR A 54 -4.948 -3.566 9.618 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.123 -5.059 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.052 -4.852 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.908 -3.141 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.794 -4.348 6.673 1.00 0.00 H new ATOM 801 N ILE A 55 -1.009 -2.130 8.690 1.00 0.00 N ATOM 802 CA ILE A 55 0.337 -2.254 9.222 1.00 0.00 C ATOM 803 C ILE A 55 0.269 -2.813 10.644 1.00 0.00 C ATOM 804 O ILE A 55 -0.606 -2.378 11.409 1.00 0.00 O ATOM 805 CB ILE A 55 1.079 -0.920 9.119 1.00 0.00 C ATOM 806 CG1 ILE A 55 0.423 -0.006 8.082 1.00 0.00 C ATOM 807 CG2 ILE A 55 2.565 -1.140 8.832 1.00 0.00 C ATOM 808 CD1 ILE A 55 0.498 -0.622 6.684 1.00 0.00 C ATOM 0 H ILE A 55 -1.127 -1.368 8.023 1.00 0.00 H new ATOM 0 HA ILE A 55 0.918 -2.961 8.629 1.00 0.00 H new ATOM 0 HB ILE A 55 1.009 -0.415 10.082 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.619 0.167 8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.918 0.965 8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.069 -0.176 8.764 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.008 -1.725 9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.678 -1.676 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.025 0.047 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.542 -0.771 6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.019 -1.582 6.681 1.00 0.00 H new ATOM 820 N GLU A 56 1.179 -3.749 10.969 1.00 0.00 N ATOM 821 CA GLU A 56 1.221 -4.359 12.288 1.00 0.00 C ATOM 822 C GLU A 56 2.499 -3.921 13.005 1.00 0.00 C ATOM 823 O GLU A 56 3.484 -3.610 12.320 1.00 0.00 O ATOM 824 CB GLU A 56 1.133 -5.884 12.204 1.00 0.00 C ATOM 825 CG GLU A 56 -0.307 -6.337 11.950 1.00 0.00 C ATOM 826 CD GLU A 56 -0.591 -7.674 12.638 1.00 0.00 C ATOM 827 OE1 GLU A 56 0.296 -8.231 13.299 1.00 0.00 O ATOM 828 OE2 GLU A 56 -1.785 -8.132 12.467 1.00 0.00 O ATOM 0 H GLU A 56 1.892 -4.093 10.326 1.00 0.00 H new ATOM 0 HA GLU A 56 0.355 -4.023 12.858 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.778 -6.246 11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.498 -6.325 13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.000 -5.580 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.478 -6.432 10.878 1.00 0.00 H new ATOM 835 N SER A 57 2.460 -3.909 14.350 1.00 0.00 N ATOM 836 CA SER A 57 3.607 -3.512 15.150 1.00 0.00 C ATOM 837 C SER A 57 4.417 -4.757 15.520 1.00 0.00 C ATOM 838 O SER A 57 3.809 -5.757 15.929 1.00 0.00 O ATOM 839 CB SER A 57 3.178 -2.763 16.412 1.00 0.00 C ATOM 840 OG SER A 57 2.626 -3.638 17.391 1.00 0.00 O ATOM 0 H SER A 57 1.640 -4.172 14.896 1.00 0.00 H new ATOM 0 HA SER A 57 4.223 -2.832 14.561 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.038 -2.243 16.834 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.442 -2.003 16.150 1.00 0.00 H new ATOM 0 HG SER A 57 2.366 -3.121 18.182 1.00 0.00 H new ATOM 846 N GLY A 58 5.752 -4.672 15.373 1.00 0.00 N ATOM 847 CA GLY A 58 6.633 -5.782 15.691 1.00 0.00 C ATOM 848 C GLY A 58 8.087 -5.349 15.484 1.00 0.00 C ATOM 849 O GLY A 58 8.740 -5.889 14.579 1.00 0.00 O ATOM 0 H GLY A 58 6.233 -3.839 15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.479 -6.099 16.722 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.402 -6.638 15.056 1.00 0.00 H new ATOM 853 N ALA A 59 8.556 -4.399 16.313 1.00 0.00 N ATOM 854 CA ALA A 59 9.918 -3.901 16.221 1.00 0.00 C ATOM 855 C ALA A 59 9.889 -2.426 15.819 1.00 0.00 C ATOM 856 O ALA A 59 8.815 -1.813 15.896 1.00 0.00 O ATOM 857 CB ALA A 59 10.661 -4.637 15.104 1.00 0.00 C ATOM 0 H ALA A 59 8.001 -3.967 17.052 1.00 0.00 H new ATOM 0 HA ALA A 59 10.406 -4.047 17.185 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.682 -4.261 15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.681 -5.705 15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.150 -4.470 14.156 1.00 0.00 H new ATOM 863 N LYS A 60 11.054 -1.892 15.406 1.00 0.00 N ATOM 864 CA LYS A 60 11.163 -0.502 14.997 1.00 0.00 C ATOM 865 C LYS A 60 10.980 -0.406 13.481 1.00 0.00 C ATOM 866 O LYS A 60 11.661 0.423 12.858 1.00 0.00 O ATOM 867 CB LYS A 60 12.475 0.103 15.500 1.00 0.00 C ATOM 868 CG LYS A 60 12.284 0.770 16.864 1.00 0.00 C ATOM 869 CD LYS A 60 13.610 0.852 17.624 1.00 0.00 C ATOM 870 CE LYS A 60 13.375 0.894 19.134 1.00 0.00 C ATOM 871 NZ LYS A 60 14.622 1.229 19.842 1.00 0.00 N ATOM 0 H LYS A 60 11.929 -2.414 15.351 1.00 0.00 H new ATOM 0 HA LYS A 60 10.371 0.093 15.452 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.234 -0.676 15.575 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.841 0.836 14.781 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.875 1.771 16.729 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.559 0.206 17.450 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.231 -0.008 17.373 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.157 1.742 17.313 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.608 1.632 19.368 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.004 -0.072 19.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.444 1.253 20.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.344 0.510 19.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.960 2.161 19.527 1.00 0.00 H new ATOM 885 N GLY A 61 10.083 -1.240 12.928 1.00 0.00 N ATOM 886 CA GLY A 61 9.817 -1.247 11.500 1.00 0.00 C ATOM 887 C GLY A 61 8.383 -1.723 11.255 1.00 0.00 C ATOM 888 O GLY A 61 8.114 -2.915 11.462 1.00 0.00 O ATOM 0 H GLY A 61 9.534 -1.916 13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.956 -0.248 11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.522 -1.903 10.990 1.00 0.00 H new ATOM 892 N PRO A 62 7.507 -0.797 10.824 1.00 0.00 N ATOM 893 CA PRO A 62 6.110 -1.084 10.545 1.00 0.00 C ATOM 894 C PRO A 62 5.960 -1.847 9.227 1.00 0.00 C ATOM 895 O PRO A 62 6.184 -1.242 8.168 1.00 0.00 O ATOM 896 CB PRO A 62 5.426 0.273 10.527 1.00 0.00 C ATOM 897 CG PRO A 62 6.534 1.295 10.335 1.00 0.00 C ATOM 898 CD PRO A 62 7.861 0.600 10.590 1.00 0.00 C ATOM 0 HA PRO A 62 5.656 -1.734 11.293 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.696 0.332 9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.887 0.451 11.458 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.505 1.703 9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.404 2.132 11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.532 0.701 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.374 1.028 11.451 1.00 0.00 H new ATOM 906 N ALA A 63 5.591 -3.137 9.316 1.00 0.00 N ATOM 907 CA ALA A 63 5.414 -3.971 8.139 1.00 0.00 C ATOM 908 C ALA A 63 3.958 -3.889 7.676 1.00 0.00 C ATOM 909 O ALA A 63 3.071 -3.786 8.536 1.00 0.00 O ATOM 910 CB ALA A 63 5.667 -5.435 8.504 1.00 0.00 C ATOM 0 H ALA A 63 5.412 -3.615 10.199 1.00 0.00 H new ATOM 0 HA ALA A 63 6.103 -3.630 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.534 -6.059 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.685 -5.546 8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.962 -5.745 9.276 1.00 0.00 H new ATOM 916 N ALA A 64 3.745 -3.935 6.348 1.00 0.00 N ATOM 917 CA ALA A 64 2.409 -3.867 5.781 1.00 0.00 C ATOM 918 C ALA A 64 1.666 -5.172 6.075 1.00 0.00 C ATOM 919 O ALA A 64 2.136 -6.229 5.631 1.00 0.00 O ATOM 920 CB ALA A 64 2.502 -3.760 4.258 1.00 0.00 C ATOM 0 H ALA A 64 4.490 -4.019 5.657 1.00 0.00 H new ATOM 0 HA ALA A 64 1.896 -3.006 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.499 -3.709 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.055 -2.860 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.019 -4.635 3.863 1.00 0.00 H new ATOM 926 N GLY A 65 0.544 -5.073 6.807 1.00 0.00 N ATOM 927 CA GLY A 65 -0.254 -6.238 7.155 1.00 0.00 C ATOM 928 C GLY A 65 -1.640 -6.110 6.521 1.00 0.00 C ATOM 929 O GLY A 65 -2.259 -5.045 6.664 1.00 0.00 O ATOM 0 H GLY A 65 0.177 -4.191 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.236 -7.146 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.343 -6.321 8.238 1.00 0.00 H new ATOM 933 N ASN A 66 -2.093 -7.181 5.843 1.00 0.00 N ATOM 934 CA ASN A 66 -3.393 -7.188 5.194 1.00 0.00 C ATOM 935 C ASN A 66 -3.484 -6.002 4.230 1.00 0.00 C ATOM 936 O ASN A 66 -3.725 -4.880 4.697 1.00 0.00 O ATOM 937 CB ASN A 66 -4.520 -7.051 6.220 1.00 0.00 C ATOM 938 CG ASN A 66 -4.821 -8.395 6.886 1.00 0.00 C ATOM 939 OD1 ASN A 66 -4.801 -9.444 6.263 1.00 0.00 O ATOM 940 ND2 ASN A 66 -5.099 -8.305 8.183 1.00 0.00 N ATOM 0 H ASN A 66 -1.567 -8.049 5.737 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.501 -8.134 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.239 -6.320 6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.418 -6.674 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.313 -9.146 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.098 -7.394 8.643 1.00 0.00 H new ATOM 947 N VAL A 67 -3.292 -6.271 2.926 1.00 0.00 N ATOM 948 CA VAL A 67 -3.352 -5.234 1.911 1.00 0.00 C ATOM 949 C VAL A 67 -4.199 -5.727 0.734 1.00 0.00 C ATOM 950 O VAL A 67 -3.668 -6.471 -0.103 1.00 0.00 O ATOM 951 CB VAL A 67 -1.939 -4.823 1.498 1.00 0.00 C ATOM 952 CG1 VAL A 67 -1.845 -3.310 1.288 1.00 0.00 C ATOM 953 CG2 VAL A 67 -0.907 -5.299 2.524 1.00 0.00 C ATOM 0 H VAL A 67 -3.094 -7.203 2.562 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.833 -4.340 2.307 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.715 -5.307 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.829 -3.046 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.539 -3.008 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.100 -2.797 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.090 -4.994 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.129 -4.857 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.946 -6.386 2.602 1.00 0.00 H new ATOM 963 N THR A 68 -5.476 -5.309 0.696 1.00 0.00 N ATOM 964 CA THR A 68 -6.385 -5.705 -0.368 1.00 0.00 C ATOM 965 C THR A 68 -6.477 -4.579 -1.399 1.00 0.00 C ATOM 966 O THR A 68 -6.894 -3.472 -1.028 1.00 0.00 O ATOM 967 CB THR A 68 -7.734 -6.071 0.253 1.00 0.00 C ATOM 968 OG1 THR A 68 -8.691 -5.610 -0.697 1.00 0.00 O ATOM 969 CG2 THR A 68 -8.038 -5.259 1.513 1.00 0.00 C ATOM 0 H THR A 68 -5.893 -4.696 1.396 1.00 0.00 H new ATOM 0 HA THR A 68 -6.022 -6.585 -0.898 1.00 0.00 H new ATOM 0 HB THR A 68 -7.745 -7.134 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.595 -5.809 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.007 -5.558 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.265 -5.442 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.060 -4.198 1.265 1.00 0.00 H new ATOM 977 N SER A 69 -6.090 -4.878 -2.652 1.00 0.00 N ATOM 978 CA SER A 69 -6.129 -3.898 -3.725 1.00 0.00 C ATOM 979 C SER A 69 -7.546 -3.334 -3.844 1.00 0.00 C ATOM 980 O SER A 69 -8.500 -4.125 -3.810 1.00 0.00 O ATOM 981 CB SER A 69 -5.687 -4.508 -5.057 1.00 0.00 C ATOM 982 OG SER A 69 -6.734 -5.249 -5.678 1.00 0.00 O ATOM 0 H SER A 69 -5.748 -5.796 -2.936 1.00 0.00 H new ATOM 0 HA SER A 69 -5.432 -3.095 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.357 -3.714 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.830 -5.161 -4.890 1.00 0.00 H new ATOM 0 HG SER A 69 -6.470 -5.486 -6.592 1.00 0.00 H new ATOM 988 N LEU A 70 -7.654 -2.001 -3.977 1.00 0.00 N ATOM 989 CA LEU A 70 -8.943 -1.340 -4.098 1.00 0.00 C ATOM 990 C LEU A 70 -8.832 -0.200 -5.112 1.00 0.00 C ATOM 991 O LEU A 70 -9.336 -0.308 -6.230 1.00 0.00 O ATOM 992 CB LEU A 70 -9.449 -0.895 -2.725 1.00 0.00 C ATOM 993 CG LEU A 70 -9.834 -2.016 -1.757 1.00 0.00 C ATOM 994 CD1 LEU A 70 -10.174 -1.455 -0.376 1.00 0.00 C ATOM 995 CD2 LEU A 70 -10.972 -2.866 -2.326 1.00 0.00 C ATOM 0 H LEU A 70 -6.855 -1.368 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.693 -2.034 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.677 -0.285 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.318 -0.253 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.972 -2.672 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.444 -2.273 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.308 -0.928 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.012 -0.763 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.226 -3.655 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.846 -2.237 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.656 -3.312 -3.269 1.00 0.00 H new TER 1007 LEU A 70