USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 633 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 1 MET N :NH3+ -123:sc= 0.702 (180deg=-3.4!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.992 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0753 K(o=-0.075,f=-0.75) USER MOD Single : A 16 THR OG1 : rot -65:sc= 0.828 USER MOD Single : A 17 SER OG : rot -60:sc= 0.679 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 22 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 23 THR OG1 : rot 152:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -55:sc= 1.02 USER MOD Single : A 40 ASN : amide:sc= -2.82 K(o=-2.8,f=-2) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.612 USER MOD Single : A 47 GLN : amide:sc= -0.0611 X(o=-0.061,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.136 K(o=-0.14,f=-3.7!) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0.0421 (180deg=0.0373) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.405 X(o=-0.4,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 39:sc= -0.0484 USER MOD Single : A 69 HIS : no HD1:sc= -5.85! C(o=-5.9!,f=-6.5!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.483 0.228 -0.112 1.00 51.31 N ATOM 2 CA MET A 1 2.190 0.240 -1.388 1.00 11.24 C ATOM 3 C MET A 1 1.538 -0.719 -2.379 1.00 44.42 C ATOM 4 O MET A 1 1.019 -0.299 -3.414 1.00 51.12 O ATOM 5 CB MET A 1 3.658 -0.138 -1.185 1.00 4.34 C ATOM 6 CG MET A 1 4.477 -0.103 -2.465 1.00 4.03 C ATOM 7 SD MET A 1 6.202 0.335 -2.174 1.00 62.21 S ATOM 8 CE MET A 1 6.516 1.417 -3.566 1.00 50.31 C ATOM 0 H1 MET A 1 1.169 1.192 0.120 1.00 51.31 H new ATOM 0 H2 MET A 1 0.656 -0.399 -0.179 1.00 51.31 H new ATOM 0 H3 MET A 1 2.119 -0.118 0.634 1.00 51.31 H new ATOM 0 HA MET A 1 2.135 1.249 -1.796 1.00 11.24 H new ATOM 0 HB2 MET A 1 4.103 0.543 -0.460 1.00 4.34 H new ATOM 0 HB3 MET A 1 3.711 -1.139 -0.757 1.00 4.34 H new ATOM 0 HG2 MET A 1 4.431 -1.079 -2.948 1.00 4.03 H new ATOM 0 HG3 MET A 1 4.035 0.616 -3.155 1.00 4.03 H new ATOM 0 HE1 MET A 1 7.546 1.771 -3.526 1.00 50.31 H new ATOM 0 HE2 MET A 1 6.356 0.870 -4.495 1.00 50.31 H new ATOM 0 HE3 MET A 1 5.837 2.269 -3.525 1.00 50.31 H new ATOM 18 N LEU A 2 1.570 -2.007 -2.057 1.00 52.01 N ATOM 19 CA LEU A 2 0.982 -3.026 -2.920 1.00 42.12 C ATOM 20 C LEU A 2 -0.317 -3.560 -2.326 1.00 13.41 C ATOM 21 O LEU A 2 -0.353 -3.995 -1.174 1.00 60.44 O ATOM 22 CB LEU A 2 1.970 -4.175 -3.131 1.00 53.11 C ATOM 23 CG LEU A 2 1.391 -5.455 -3.735 1.00 40.25 C ATOM 24 CD1 LEU A 2 2.426 -6.149 -4.606 1.00 64.43 C ATOM 25 CD2 LEU A 2 0.901 -6.389 -2.638 1.00 42.44 C ATOM 0 H LEU A 2 1.997 -2.371 -1.205 1.00 52.01 H new ATOM 0 HA LEU A 2 0.757 -2.566 -3.882 1.00 42.12 H new ATOM 0 HB2 LEU A 2 2.773 -3.823 -3.778 1.00 53.11 H new ATOM 0 HB3 LEU A 2 2.420 -4.422 -2.169 1.00 53.11 H new ATOM 0 HG LEU A 2 0.540 -5.186 -4.361 1.00 40.25 H new ATOM 0 HD11 LEU A 2 1.996 -7.058 -5.027 1.00 64.43 H new ATOM 0 HD12 LEU A 2 2.728 -5.482 -5.414 1.00 64.43 H new ATOM 0 HD13 LEU A 2 3.297 -6.405 -4.002 1.00 64.43 H new ATOM 0 HD21 LEU A 2 0.492 -7.294 -3.087 1.00 42.44 H new ATOM 0 HD22 LEU A 2 1.733 -6.651 -1.985 1.00 42.44 H new ATOM 0 HD23 LEU A 2 0.126 -5.891 -2.056 1.00 42.44 H new ATOM 37 N LEU A 3 -1.382 -3.524 -3.119 1.00 35.52 N ATOM 38 CA LEU A 3 -2.685 -4.007 -2.672 1.00 42.13 C ATOM 39 C LEU A 3 -3.389 -4.781 -3.782 1.00 42.45 C ATOM 40 O LEU A 3 -3.214 -4.488 -4.966 1.00 1.04 O ATOM 41 CB LEU A 3 -3.557 -2.835 -2.220 1.00 12.32 C ATOM 42 CG LEU A 3 -4.263 -2.055 -3.330 1.00 63.21 C ATOM 43 CD1 LEU A 3 -5.192 -1.007 -2.739 1.00 13.03 C ATOM 44 CD2 LEU A 3 -3.244 -1.406 -4.256 1.00 73.20 C ATOM 0 H LEU A 3 -1.370 -3.166 -4.074 1.00 35.52 H new ATOM 0 HA LEU A 3 -2.526 -4.680 -1.830 1.00 42.13 H new ATOM 0 HB2 LEU A 3 -4.313 -3.215 -1.533 1.00 12.32 H new ATOM 0 HB3 LEU A 3 -2.934 -2.141 -1.656 1.00 12.32 H new ATOM 0 HG LEU A 3 -4.863 -2.754 -3.914 1.00 63.21 H new ATOM 0 HD11 LEU A 3 -5.685 -0.462 -3.544 1.00 13.03 H new ATOM 0 HD12 LEU A 3 -5.943 -1.495 -2.118 1.00 13.03 H new ATOM 0 HD13 LEU A 3 -4.615 -0.311 -2.130 1.00 13.03 H new ATOM 0 HD21 LEU A 3 -3.764 -0.855 -5.040 1.00 73.20 H new ATOM 0 HD22 LEU A 3 -2.618 -0.721 -3.685 1.00 73.20 H new ATOM 0 HD23 LEU A 3 -2.620 -2.177 -4.707 1.00 73.20 H new ATOM 56 N LYS A 4 -4.187 -5.769 -3.393 1.00 54.43 N ATOM 57 CA LYS A 4 -4.922 -6.583 -4.354 1.00 63.21 C ATOM 58 C LYS A 4 -6.418 -6.300 -4.276 1.00 74.01 C ATOM 59 O LYS A 4 -7.072 -6.630 -3.286 1.00 40.42 O ATOM 60 CB LYS A 4 -4.659 -8.069 -4.100 1.00 31.31 C ATOM 61 CG LYS A 4 -5.565 -8.992 -4.897 1.00 63.00 C ATOM 62 CD LYS A 4 -6.647 -9.603 -4.023 1.00 20.02 C ATOM 63 CE LYS A 4 -6.437 -11.098 -3.840 1.00 34.34 C ATOM 64 NZ LYS A 4 -7.729 -11.840 -3.809 1.00 4.34 N ATOM 0 H LYS A 4 -4.342 -6.026 -2.418 1.00 54.43 H new ATOM 0 HA LYS A 4 -4.574 -6.324 -5.354 1.00 63.21 H new ATOM 0 HB2 LYS A 4 -3.621 -8.293 -4.345 1.00 31.31 H new ATOM 0 HB3 LYS A 4 -4.788 -8.276 -3.038 1.00 31.31 H new ATOM 0 HG2 LYS A 4 -6.026 -8.435 -5.713 1.00 63.00 H new ATOM 0 HG3 LYS A 4 -4.970 -9.786 -5.349 1.00 63.00 H new ATOM 0 HD2 LYS A 4 -6.650 -9.113 -3.049 1.00 20.02 H new ATOM 0 HD3 LYS A 4 -7.624 -9.424 -4.473 1.00 20.02 H new ATOM 0 HE2 LYS A 4 -5.818 -11.480 -4.652 1.00 34.34 H new ATOM 0 HE3 LYS A 4 -5.893 -11.278 -2.913 1.00 34.34 H new ATOM 0 HZ1 LYS A 4 -7.543 -12.855 -3.683 1.00 4.34 H new ATOM 0 HZ2 LYS A 4 -8.309 -11.493 -3.019 1.00 4.34 H new ATOM 0 HZ3 LYS A 4 -8.237 -11.690 -4.704 1.00 4.34 H new ATOM 78 N VAL A 5 -6.956 -5.688 -5.327 1.00 31.43 N ATOM 79 CA VAL A 5 -8.376 -5.363 -5.378 1.00 35.40 C ATOM 80 C VAL A 5 -9.124 -6.312 -6.308 1.00 31.31 C ATOM 81 O VAL A 5 -8.758 -6.476 -7.472 1.00 10.30 O ATOM 82 CB VAL A 5 -8.604 -3.915 -5.849 1.00 51.24 C ATOM 83 CG1 VAL A 5 -8.001 -2.930 -4.860 1.00 3.03 C ATOM 84 CG2 VAL A 5 -8.022 -3.710 -7.240 1.00 15.10 C ATOM 0 H VAL A 5 -6.429 -5.408 -6.154 1.00 31.43 H new ATOM 0 HA VAL A 5 -8.762 -5.472 -4.365 1.00 35.40 H new ATOM 0 HB VAL A 5 -9.677 -3.732 -5.898 1.00 51.24 H new ATOM 0 HG11 VAL A 5 -8.172 -1.912 -5.210 1.00 3.03 H new ATOM 0 HG12 VAL A 5 -8.469 -3.062 -3.884 1.00 3.03 H new ATOM 0 HG13 VAL A 5 -6.929 -3.109 -4.776 1.00 3.03 H new ATOM 0 HG21 VAL A 5 -8.192 -2.681 -7.558 1.00 15.10 H new ATOM 0 HG22 VAL A 5 -6.951 -3.911 -7.220 1.00 15.10 H new ATOM 0 HG23 VAL A 5 -8.506 -4.391 -7.941 1.00 15.10 H new ATOM 94 N LYS A 6 -10.175 -6.936 -5.787 1.00 30.51 N ATOM 95 CA LYS A 6 -10.977 -7.869 -6.570 1.00 14.13 C ATOM 96 C LYS A 6 -12.452 -7.480 -6.534 1.00 70.53 C ATOM 97 O LYS A 6 -13.038 -7.324 -5.463 1.00 14.14 O ATOM 98 CB LYS A 6 -10.802 -9.294 -6.041 1.00 25.03 C ATOM 99 CG LYS A 6 -10.995 -9.414 -4.539 1.00 13.41 C ATOM 100 CD LYS A 6 -12.082 -10.418 -4.195 1.00 75.02 C ATOM 101 CE LYS A 6 -11.612 -11.847 -4.420 1.00 12.04 C ATOM 102 NZ LYS A 6 -12.528 -12.597 -5.323 1.00 50.23 N ATOM 0 H LYS A 6 -10.491 -6.812 -4.825 1.00 30.51 H new ATOM 0 HA LYS A 6 -10.632 -7.827 -7.603 1.00 14.13 H new ATOM 0 HB2 LYS A 6 -11.514 -9.949 -6.544 1.00 25.03 H new ATOM 0 HB3 LYS A 6 -9.804 -9.649 -6.300 1.00 25.03 H new ATOM 0 HG2 LYS A 6 -10.057 -9.718 -4.074 1.00 13.41 H new ATOM 0 HG3 LYS A 6 -11.255 -8.439 -4.126 1.00 13.41 H new ATOM 0 HD2 LYS A 6 -12.380 -10.291 -3.154 1.00 75.02 H new ATOM 0 HD3 LYS A 6 -12.964 -10.224 -4.805 1.00 75.02 H new ATOM 0 HE2 LYS A 6 -10.609 -11.836 -4.847 1.00 12.04 H new ATOM 0 HE3 LYS A 6 -11.545 -12.362 -3.462 1.00 12.04 H new ATOM 0 HZ1 LYS A 6 -12.173 -13.566 -5.451 1.00 50.23 H new ATOM 0 HZ2 LYS A 6 -13.479 -12.629 -4.904 1.00 50.23 H new ATOM 0 HZ3 LYS A 6 -12.573 -12.120 -6.246 1.00 50.23 H new ATOM 116 N THR A 7 -13.048 -7.327 -7.713 1.00 23.51 N ATOM 117 CA THR A 7 -14.454 -6.958 -7.817 1.00 3.05 C ATOM 118 C THR A 7 -15.351 -8.189 -7.765 1.00 20.25 C ATOM 119 O THR A 7 -14.874 -9.321 -7.841 1.00 24.45 O ATOM 120 CB THR A 7 -14.737 -6.185 -9.118 1.00 40.14 C ATOM 121 OG1 THR A 7 -13.508 -5.895 -9.793 1.00 42.31 O ATOM 122 CG2 THR A 7 -15.480 -4.890 -8.828 1.00 1.32 C ATOM 0 H THR A 7 -12.578 -7.453 -8.609 1.00 23.51 H new ATOM 0 HA THR A 7 -14.676 -6.315 -6.965 1.00 3.05 H new ATOM 0 HB THR A 7 -15.363 -6.809 -9.756 1.00 40.14 H new ATOM 0 HG1 THR A 7 -13.697 -5.405 -10.620 1.00 42.31 H new ATOM 0 HG21 THR A 7 -15.669 -4.362 -9.763 1.00 1.32 H new ATOM 0 HG22 THR A 7 -16.429 -5.116 -8.341 1.00 1.32 H new ATOM 0 HG23 THR A 7 -14.876 -4.263 -8.172 1.00 1.32 H new ATOM 130 N VAL A 8 -16.654 -7.961 -7.635 1.00 72.12 N ATOM 131 CA VAL A 8 -17.619 -9.052 -7.575 1.00 31.40 C ATOM 132 C VAL A 8 -17.690 -9.797 -8.903 1.00 70.23 C ATOM 133 O VAL A 8 -18.283 -10.872 -8.993 1.00 62.22 O ATOM 134 CB VAL A 8 -19.025 -8.539 -7.211 1.00 60.20 C ATOM 135 CG1 VAL A 8 -19.579 -7.665 -8.325 1.00 55.05 C ATOM 136 CG2 VAL A 8 -19.959 -9.705 -6.922 1.00 2.33 C ATOM 0 H VAL A 8 -17.066 -7.030 -7.569 1.00 72.12 H new ATOM 0 HA VAL A 8 -17.277 -9.734 -6.797 1.00 31.40 H new ATOM 0 HB VAL A 8 -18.949 -7.932 -6.309 1.00 60.20 H new ATOM 0 HG11 VAL A 8 -20.573 -7.312 -8.050 1.00 55.05 H new ATOM 0 HG12 VAL A 8 -18.920 -6.811 -8.479 1.00 55.05 H new ATOM 0 HG13 VAL A 8 -19.642 -8.245 -9.246 1.00 55.05 H new ATOM 0 HG21 VAL A 8 -20.948 -9.324 -6.667 1.00 2.33 H new ATOM 0 HG22 VAL A 8 -20.032 -10.340 -7.805 1.00 2.33 H new ATOM 0 HG23 VAL A 8 -19.567 -10.287 -6.087 1.00 2.33 H new ATOM 146 N SER A 9 -17.081 -9.218 -9.933 1.00 61.33 N ATOM 147 CA SER A 9 -17.078 -9.826 -11.259 1.00 45.40 C ATOM 148 C SER A 9 -15.893 -10.774 -11.419 1.00 40.32 C ATOM 149 O SER A 9 -15.576 -11.207 -12.526 1.00 74.21 O ATOM 150 CB SER A 9 -17.028 -8.743 -12.339 1.00 15.11 C ATOM 151 OG SER A 9 -18.333 -8.388 -12.765 1.00 24.02 O ATOM 0 H SER A 9 -16.584 -8.329 -9.875 1.00 61.33 H new ATOM 0 HA SER A 9 -17.998 -10.400 -11.371 1.00 45.40 H new ATOM 0 HB2 SER A 9 -16.516 -7.862 -11.952 1.00 15.11 H new ATOM 0 HB3 SER A 9 -16.448 -9.100 -13.190 1.00 15.11 H new ATOM 0 HG SER A 9 -18.275 -7.693 -13.454 1.00 24.02 H new ATOM 157 N ASN A 10 -15.242 -11.091 -10.305 1.00 11.13 N ATOM 158 CA ASN A 10 -14.092 -11.987 -10.320 1.00 63.12 C ATOM 159 C ASN A 10 -12.910 -11.343 -11.039 1.00 20.02 C ATOM 160 O ASN A 10 -12.158 -12.014 -11.746 1.00 22.23 O ATOM 161 CB ASN A 10 -14.457 -13.308 -10.999 1.00 74.44 C ATOM 162 CG ASN A 10 -13.986 -14.514 -10.210 1.00 31.33 C ATOM 163 OD1 ASN A 10 -12.819 -14.899 -10.281 1.00 20.42 O ATOM 164 ND2 ASN A 10 -14.895 -15.117 -9.452 1.00 2.35 N ATOM 0 H ASN A 10 -15.491 -10.741 -9.380 1.00 11.13 H new ATOM 0 HA ASN A 10 -13.803 -12.184 -9.288 1.00 63.12 H new ATOM 0 HB2 ASN A 10 -15.538 -13.361 -11.127 1.00 74.44 H new ATOM 0 HB3 ASN A 10 -14.016 -13.335 -11.996 1.00 74.44 H new ATOM 0 HD21 ASN A 10 -14.637 -15.934 -8.898 1.00 2.35 H new ATOM 0 HD22 ASN A 10 -15.851 -14.763 -9.424 1.00 2.35 H new ATOM 171 N LYS A 11 -12.752 -10.037 -10.853 1.00 1.04 N ATOM 172 CA LYS A 11 -11.661 -9.301 -11.480 1.00 53.45 C ATOM 173 C LYS A 11 -10.634 -8.859 -10.443 1.00 33.34 C ATOM 174 O LYS A 11 -10.742 -7.775 -9.870 1.00 43.45 O ATOM 175 CB LYS A 11 -12.205 -8.080 -12.226 1.00 54.11 C ATOM 176 CG LYS A 11 -12.956 -8.430 -13.499 1.00 41.34 C ATOM 177 CD LYS A 11 -13.268 -7.190 -14.321 1.00 70.21 C ATOM 178 CE LYS A 11 -12.762 -7.326 -15.749 1.00 74.31 C ATOM 179 NZ LYS A 11 -12.885 -6.049 -16.505 1.00 5.01 N ATOM 0 H LYS A 11 -13.366 -9.466 -10.272 1.00 1.04 H new ATOM 0 HA LYS A 11 -11.170 -9.966 -12.191 1.00 53.45 H new ATOM 0 HB2 LYS A 11 -12.869 -7.526 -11.563 1.00 54.11 H new ATOM 0 HB3 LYS A 11 -11.376 -7.417 -12.474 1.00 54.11 H new ATOM 0 HG2 LYS A 11 -12.361 -9.122 -14.095 1.00 41.34 H new ATOM 0 HG3 LYS A 11 -13.884 -8.943 -13.246 1.00 41.34 H new ATOM 0 HD2 LYS A 11 -14.345 -7.020 -14.330 1.00 70.21 H new ATOM 0 HD3 LYS A 11 -12.811 -6.318 -13.853 1.00 70.21 H new ATOM 0 HE2 LYS A 11 -11.719 -7.641 -15.736 1.00 74.31 H new ATOM 0 HE3 LYS A 11 -13.325 -8.107 -16.261 1.00 74.31 H new ATOM 0 HZ1 LYS A 11 -12.530 -6.183 -17.473 1.00 5.01 H new ATOM 0 HZ2 LYS A 11 -13.884 -5.761 -16.539 1.00 5.01 H new ATOM 0 HZ3 LYS A 11 -12.328 -5.310 -16.031 1.00 5.01 H new ATOM 193 N VAL A 12 -9.638 -9.707 -10.205 1.00 41.41 N ATOM 194 CA VAL A 12 -8.590 -9.403 -9.238 1.00 40.40 C ATOM 195 C VAL A 12 -7.396 -8.737 -9.913 1.00 23.32 C ATOM 196 O VAL A 12 -6.933 -9.186 -10.962 1.00 75.11 O ATOM 197 CB VAL A 12 -8.112 -10.673 -8.510 1.00 73.11 C ATOM 198 CG1 VAL A 12 -7.196 -10.312 -7.351 1.00 65.03 C ATOM 199 CG2 VAL A 12 -9.302 -11.488 -8.026 1.00 21.14 C ATOM 0 H VAL A 12 -9.535 -10.610 -10.669 1.00 41.41 H new ATOM 0 HA VAL A 12 -9.021 -8.717 -8.509 1.00 40.40 H new ATOM 0 HB VAL A 12 -7.544 -11.282 -9.213 1.00 73.11 H new ATOM 0 HG11 VAL A 12 -6.869 -11.222 -6.849 1.00 65.03 H new ATOM 0 HG12 VAL A 12 -6.327 -9.773 -7.728 1.00 65.03 H new ATOM 0 HG13 VAL A 12 -7.735 -9.681 -6.644 1.00 65.03 H new ATOM 0 HG21 VAL A 12 -8.947 -12.382 -7.514 1.00 21.14 H new ATOM 0 HG22 VAL A 12 -9.898 -10.888 -7.338 1.00 21.14 H new ATOM 0 HG23 VAL A 12 -9.915 -11.778 -8.879 1.00 21.14 H new ATOM 209 N ILE A 13 -6.900 -7.665 -9.303 1.00 74.44 N ATOM 210 CA ILE A 13 -5.758 -6.939 -9.845 1.00 34.13 C ATOM 211 C ILE A 13 -4.747 -6.612 -8.752 1.00 25.43 C ATOM 212 O ILE A 13 -5.053 -5.886 -7.807 1.00 3.13 O ATOM 213 CB ILE A 13 -6.197 -5.632 -10.530 1.00 45.55 C ATOM 214 CG1 ILE A 13 -7.216 -5.925 -11.633 1.00 32.12 C ATOM 215 CG2 ILE A 13 -4.989 -4.901 -11.099 1.00 70.42 C ATOM 216 CD1 ILE A 13 -6.666 -6.780 -12.753 1.00 32.54 C ATOM 0 H ILE A 13 -7.271 -7.281 -8.434 1.00 74.44 H new ATOM 0 HA ILE A 13 -5.292 -7.589 -10.585 1.00 34.13 H new ATOM 0 HB ILE A 13 -6.669 -4.991 -9.786 1.00 45.55 H new ATOM 0 HG12 ILE A 13 -8.079 -6.426 -11.195 1.00 32.12 H new ATOM 0 HG13 ILE A 13 -7.571 -4.982 -12.048 1.00 32.12 H new ATOM 0 HG21 ILE A 13 -5.315 -3.979 -11.580 1.00 70.42 H new ATOM 0 HG22 ILE A 13 -4.294 -4.664 -10.293 1.00 70.42 H new ATOM 0 HG23 ILE A 13 -4.491 -5.536 -11.832 1.00 70.42 H new ATOM 0 HD11 ILE A 13 -7.443 -6.947 -13.499 1.00 32.54 H new ATOM 0 HD12 ILE A 13 -5.821 -6.272 -13.217 1.00 32.54 H new ATOM 0 HD13 ILE A 13 -6.337 -7.738 -12.351 1.00 32.54 H new ATOM 228 N GLN A 14 -3.540 -7.153 -8.889 1.00 50.32 N ATOM 229 CA GLN A 14 -2.482 -6.917 -7.913 1.00 74.34 C ATOM 230 C GLN A 14 -1.478 -5.895 -8.435 1.00 52.20 C ATOM 231 O GLN A 14 -0.759 -6.154 -9.401 1.00 15.52 O ATOM 232 CB GLN A 14 -1.767 -8.227 -7.579 1.00 32.50 C ATOM 233 CG GLN A 14 -1.189 -8.263 -6.174 1.00 23.34 C ATOM 234 CD GLN A 14 -1.302 -9.631 -5.531 1.00 32.45 C ATOM 235 OE1 GLN A 14 -2.351 -10.274 -5.592 1.00 62.13 O ATOM 236 NE2 GLN A 14 -0.220 -10.085 -4.908 1.00 54.12 N ATOM 0 H GLN A 14 -3.271 -7.757 -9.666 1.00 50.32 H new ATOM 0 HA GLN A 14 -2.940 -6.519 -7.007 1.00 74.34 H new ATOM 0 HB2 GLN A 14 -2.468 -9.054 -7.696 1.00 32.50 H new ATOM 0 HB3 GLN A 14 -0.963 -8.386 -8.298 1.00 32.50 H new ATOM 0 HG2 GLN A 14 -0.140 -7.968 -6.209 1.00 23.34 H new ATOM 0 HG3 GLN A 14 -1.706 -7.531 -5.554 1.00 23.34 H new ATOM 0 HE21 GLN A 14 0.628 -9.519 -4.882 1.00 54.12 H new ATOM 0 HE22 GLN A 14 -0.238 -10.999 -4.456 1.00 54.12 H new ATOM 245 N ILE A 15 -1.435 -4.734 -7.790 1.00 44.34 N ATOM 246 CA ILE A 15 -0.518 -3.673 -8.189 1.00 61.14 C ATOM 247 C ILE A 15 0.427 -3.306 -7.050 1.00 63.14 C ATOM 248 O ILE A 15 0.094 -3.466 -5.876 1.00 0.34 O ATOM 249 CB ILE A 15 -1.278 -2.411 -8.638 1.00 12.15 C ATOM 250 CG1 ILE A 15 -2.175 -1.901 -7.508 1.00 31.25 C ATOM 251 CG2 ILE A 15 -2.101 -2.703 -9.884 1.00 1.54 C ATOM 252 CD1 ILE A 15 -3.548 -2.536 -7.493 1.00 20.23 C ATOM 0 H ILE A 15 -2.024 -4.504 -6.990 1.00 44.34 H new ATOM 0 HA ILE A 15 0.061 -4.056 -9.029 1.00 61.14 H new ATOM 0 HB ILE A 15 -0.552 -1.634 -8.880 1.00 12.15 H new ATOM 0 HG12 ILE A 15 -1.685 -2.091 -6.553 1.00 31.25 H new ATOM 0 HG13 ILE A 15 -2.284 -0.821 -7.601 1.00 31.25 H new ATOM 0 HG21 ILE A 15 -2.632 -1.801 -10.189 1.00 1.54 H new ATOM 0 HG22 ILE A 15 -1.440 -3.025 -10.689 1.00 1.54 H new ATOM 0 HG23 ILE A 15 -2.821 -3.493 -9.668 1.00 1.54 H new ATOM 0 HD11 ILE A 15 -4.129 -2.127 -6.666 1.00 20.23 H new ATOM 0 HD12 ILE A 15 -4.057 -2.325 -8.433 1.00 20.23 H new ATOM 0 HD13 ILE A 15 -3.449 -3.614 -7.369 1.00 20.23 H new ATOM 264 N THR A 16 1.609 -2.811 -7.405 1.00 60.14 N ATOM 265 CA THR A 16 2.603 -2.420 -6.414 1.00 30.22 C ATOM 266 C THR A 16 3.073 -0.988 -6.641 1.00 52.02 C ATOM 267 O THR A 16 4.255 -0.743 -6.883 1.00 74.33 O ATOM 268 CB THR A 16 3.824 -3.359 -6.441 1.00 74.44 C ATOM 269 OG1 THR A 16 4.831 -2.880 -5.543 1.00 71.24 O ATOM 270 CG2 THR A 16 4.397 -3.461 -7.847 1.00 12.41 C ATOM 0 H THR A 16 1.901 -2.672 -8.372 1.00 60.14 H new ATOM 0 HA THR A 16 2.121 -2.491 -5.439 1.00 30.22 H new ATOM 0 HB THR A 16 3.499 -4.350 -6.125 1.00 74.44 H new ATOM 0 HG1 THR A 16 5.171 -2.018 -5.862 1.00 71.24 H new ATOM 0 HG21 THR A 16 5.258 -4.129 -7.841 1.00 12.41 H new ATOM 0 HG22 THR A 16 3.637 -3.854 -8.522 1.00 12.41 H new ATOM 0 HG23 THR A 16 4.707 -2.473 -8.186 1.00 12.41 H new ATOM 278 N SER A 17 2.140 -0.044 -6.561 1.00 61.42 N ATOM 279 CA SER A 17 2.459 1.364 -6.762 1.00 12.45 C ATOM 280 C SER A 17 1.267 2.247 -6.404 1.00 0.23 C ATOM 281 O SER A 17 0.603 2.800 -7.282 1.00 30.13 O ATOM 282 CB SER A 17 2.875 1.614 -8.212 1.00 61.44 C ATOM 283 OG SER A 17 2.880 2.999 -8.511 1.00 33.20 O ATOM 0 H SER A 17 1.158 -0.229 -6.358 1.00 61.42 H new ATOM 0 HA SER A 17 3.290 1.620 -6.105 1.00 12.45 H new ATOM 0 HB2 SER A 17 3.867 1.198 -8.385 1.00 61.44 H new ATOM 0 HB3 SER A 17 2.191 1.096 -8.884 1.00 61.44 H new ATOM 0 HG SER A 17 1.981 3.365 -8.379 1.00 33.20 H new ATOM 289 N LEU A 18 1.002 2.375 -5.108 1.00 55.14 N ATOM 290 CA LEU A 18 -0.110 3.191 -4.632 1.00 73.32 C ATOM 291 C LEU A 18 0.394 4.488 -4.008 1.00 61.11 C ATOM 292 O LEU A 18 1.518 4.554 -3.509 1.00 41.21 O ATOM 293 CB LEU A 18 -0.941 2.410 -3.612 1.00 70.02 C ATOM 294 CG LEU A 18 -2.390 2.122 -4.006 1.00 60.34 C ATOM 295 CD1 LEU A 18 -3.217 3.398 -3.971 1.00 22.51 C ATOM 296 CD2 LEU A 18 -2.450 1.483 -5.386 1.00 53.14 C ATOM 0 H LEU A 18 1.541 1.925 -4.369 1.00 55.14 H new ATOM 0 HA LEU A 18 -0.737 3.441 -5.488 1.00 73.32 H new ATOM 0 HB2 LEU A 18 -0.443 1.460 -3.418 1.00 70.02 H new ATOM 0 HB3 LEU A 18 -0.944 2.965 -2.674 1.00 70.02 H new ATOM 0 HG LEU A 18 -2.810 1.422 -3.284 1.00 60.34 H new ATOM 0 HD11 LEU A 18 -4.245 3.173 -4.254 1.00 22.51 H new ATOM 0 HD12 LEU A 18 -3.201 3.814 -2.964 1.00 22.51 H new ATOM 0 HD13 LEU A 18 -2.798 4.122 -4.670 1.00 22.51 H new ATOM 0 HD21 LEU A 18 -3.489 1.285 -5.650 1.00 53.14 H new ATOM 0 HD22 LEU A 18 -2.012 2.160 -6.120 1.00 53.14 H new ATOM 0 HD23 LEU A 18 -1.893 0.546 -5.378 1.00 53.14 H new ATOM 308 N THR A 19 -0.445 5.518 -4.037 1.00 54.44 N ATOM 309 CA THR A 19 -0.086 6.813 -3.474 1.00 43.50 C ATOM 310 C THR A 19 -0.268 6.824 -1.961 1.00 3.44 C ATOM 311 O THR A 19 -0.710 5.838 -1.372 1.00 25.42 O ATOM 312 CB THR A 19 -0.928 7.947 -4.089 1.00 43.12 C ATOM 313 OG1 THR A 19 -1.490 7.519 -5.335 1.00 1.33 O ATOM 314 CG2 THR A 19 -0.081 9.192 -4.310 1.00 30.51 C ATOM 0 H THR A 19 -1.379 5.480 -4.445 1.00 54.44 H new ATOM 0 HA THR A 19 0.964 6.980 -3.713 1.00 43.50 H new ATOM 0 HB THR A 19 -1.731 8.192 -3.393 1.00 43.12 H new ATOM 0 HG1 THR A 19 -2.025 8.245 -5.719 1.00 1.33 H new ATOM 0 HG21 THR A 19 -0.697 9.979 -4.745 1.00 30.51 H new ATOM 0 HG22 THR A 19 0.322 9.532 -3.356 1.00 30.51 H new ATOM 0 HG23 THR A 19 0.740 8.958 -4.988 1.00 30.51 H new ATOM 322 N ASP A 20 0.075 7.946 -1.336 1.00 74.04 N ATOM 323 CA ASP A 20 -0.053 8.086 0.110 1.00 61.25 C ATOM 324 C ASP A 20 -0.924 9.287 0.465 1.00 71.35 C ATOM 325 O ASP A 20 -1.025 9.670 1.630 1.00 2.21 O ATOM 326 CB ASP A 20 1.327 8.233 0.753 1.00 51.02 C ATOM 327 CG ASP A 20 2.327 8.903 -0.169 1.00 12.22 C ATOM 328 OD1 ASP A 20 2.422 10.148 -0.137 1.00 55.23 O ATOM 329 OD2 ASP A 20 3.015 8.183 -0.921 1.00 23.40 O ATOM 0 H ASP A 20 0.444 8.771 -1.808 1.00 74.04 H new ATOM 0 HA ASP A 20 -0.532 7.186 0.497 1.00 61.25 H new ATOM 0 HB2 ASP A 20 1.237 8.814 1.671 1.00 51.02 H new ATOM 0 HB3 ASP A 20 1.700 7.248 1.035 1.00 51.02 H new ATOM 334 N ASP A 21 -1.551 9.876 -0.548 1.00 4.34 N ATOM 335 CA ASP A 21 -2.413 11.034 -0.343 1.00 35.03 C ATOM 336 C ASP A 21 -3.876 10.611 -0.243 1.00 42.14 C ATOM 337 O ASP A 21 -4.583 11.000 0.685 1.00 24.44 O ATOM 338 CB ASP A 21 -2.236 12.037 -1.483 1.00 51.34 C ATOM 339 CG ASP A 21 -1.595 13.331 -1.022 1.00 4.11 C ATOM 340 OD1 ASP A 21 -2.113 13.942 -0.064 1.00 53.30 O ATOM 341 OD2 ASP A 21 -0.573 13.732 -1.618 1.00 54.00 O ATOM 0 H ASP A 21 -1.478 9.571 -1.518 1.00 4.34 H new ATOM 0 HA ASP A 21 -2.125 11.509 0.595 1.00 35.03 H new ATOM 0 HB2 ASP A 21 -1.622 11.589 -2.265 1.00 51.34 H new ATOM 0 HB3 ASP A 21 -3.208 12.254 -1.926 1.00 51.34 H new ATOM 346 N ASN A 22 -4.323 9.813 -1.208 1.00 44.41 N ATOM 347 CA ASN A 22 -5.702 9.339 -1.230 1.00 44.02 C ATOM 348 C ASN A 22 -5.757 7.821 -1.092 1.00 63.41 C ATOM 349 O ASN A 22 -6.586 7.282 -0.358 1.00 72.12 O ATOM 350 CB ASN A 22 -6.390 9.770 -2.527 1.00 33.23 C ATOM 351 CG ASN A 22 -6.877 11.205 -2.474 1.00 2.23 C ATOM 352 OD1 ASN A 22 -7.319 11.684 -1.429 1.00 52.24 O ATOM 353 ND2 ASN A 22 -6.797 11.899 -3.603 1.00 60.12 N ATOM 0 H ASN A 22 -3.750 9.481 -1.984 1.00 44.41 H new ATOM 0 HA ASN A 22 -6.227 9.782 -0.384 1.00 44.02 H new ATOM 0 HB2 ASN A 22 -5.695 9.656 -3.359 1.00 33.23 H new ATOM 0 HB3 ASN A 22 -7.235 9.110 -2.724 1.00 33.23 H new ATOM 0 HD21 ASN A 22 -7.109 12.870 -3.628 1.00 60.12 H new ATOM 0 HD22 ASN A 22 -6.424 11.461 -4.445 1.00 60.12 H new ATOM 360 N THR A 23 -4.867 7.134 -1.803 1.00 2.45 N ATOM 361 CA THR A 23 -4.814 5.679 -1.760 1.00 61.43 C ATOM 362 C THR A 23 -6.125 5.067 -2.241 1.00 64.50 C ATOM 363 O THR A 23 -6.248 4.673 -3.401 1.00 41.44 O ATOM 364 CB THR A 23 -4.513 5.168 -0.338 1.00 53.43 C ATOM 365 OG1 THR A 23 -3.204 5.584 0.065 1.00 43.22 O ATOM 366 CG2 THR A 23 -4.611 3.652 -0.276 1.00 31.44 C ATOM 0 H THR A 23 -4.173 7.563 -2.415 1.00 2.45 H new ATOM 0 HA THR A 23 -4.007 5.373 -2.426 1.00 61.43 H new ATOM 0 HB THR A 23 -5.253 5.592 0.341 1.00 53.43 H new ATOM 0 HG1 THR A 23 -3.175 5.672 1.041 1.00 43.22 H new ATOM 0 HG21 THR A 23 -4.394 3.315 0.738 1.00 31.44 H new ATOM 0 HG22 THR A 23 -5.618 3.341 -0.555 1.00 31.44 H new ATOM 0 HG23 THR A 23 -3.891 3.212 -0.966 1.00 31.44 H new ATOM 374 N ILE A 24 -7.101 4.989 -1.343 1.00 3.42 N ATOM 375 CA ILE A 24 -8.403 4.427 -1.677 1.00 60.42 C ATOM 376 C ILE A 24 -9.176 5.349 -2.614 1.00 34.43 C ATOM 377 O ILE A 24 -9.685 4.915 -3.647 1.00 15.51 O ATOM 378 CB ILE A 24 -9.247 4.171 -0.414 1.00 62.14 C ATOM 379 CG1 ILE A 24 -8.490 3.261 0.556 1.00 50.34 C ATOM 380 CG2 ILE A 24 -10.587 3.557 -0.789 1.00 34.34 C ATOM 381 CD1 ILE A 24 -7.717 4.017 1.614 1.00 35.43 C ATOM 0 H ILE A 24 -7.014 5.308 -0.378 1.00 3.42 H new ATOM 0 HA ILE A 24 -8.217 3.477 -2.178 1.00 60.42 H new ATOM 0 HB ILE A 24 -9.432 5.124 0.081 1.00 62.14 H new ATOM 0 HG12 ILE A 24 -9.200 2.593 1.044 1.00 50.34 H new ATOM 0 HG13 ILE A 24 -7.800 2.635 -0.009 1.00 50.34 H new ATOM 0 HG21 ILE A 24 -11.172 3.382 0.114 1.00 34.34 H new ATOM 0 HG22 ILE A 24 -11.128 4.238 -1.446 1.00 34.34 H new ATOM 0 HG23 ILE A 24 -10.422 2.611 -1.304 1.00 34.34 H new ATOM 0 HD11 ILE A 24 -7.205 3.309 2.266 1.00 35.43 H new ATOM 0 HD12 ILE A 24 -6.983 4.665 1.135 1.00 35.43 H new ATOM 0 HD13 ILE A 24 -8.405 4.622 2.204 1.00 35.43 H new ATOM 393 N ALA A 25 -9.259 6.623 -2.246 1.00 24.04 N ATOM 394 CA ALA A 25 -9.966 7.608 -3.054 1.00 73.45 C ATOM 395 C ALA A 25 -9.381 7.686 -4.460 1.00 42.23 C ATOM 396 O ALA A 25 -10.113 7.820 -5.440 1.00 62.32 O ATOM 397 CB ALA A 25 -9.920 8.973 -2.384 1.00 71.23 C ATOM 0 H ALA A 25 -8.845 6.997 -1.392 1.00 24.04 H new ATOM 0 HA ALA A 25 -11.006 7.293 -3.138 1.00 73.45 H new ATOM 0 HB1 ALA A 25 -10.452 9.698 -2.999 1.00 71.23 H new ATOM 0 HB2 ALA A 25 -10.392 8.913 -1.403 1.00 71.23 H new ATOM 0 HB3 ALA A 25 -8.883 9.287 -2.269 1.00 71.23 H new ATOM 403 N GLU A 26 -8.057 7.603 -4.551 1.00 10.34 N ATOM 404 CA GLU A 26 -7.374 7.667 -5.838 1.00 34.15 C ATOM 405 C GLU A 26 -7.659 6.418 -6.667 1.00 31.13 C ATOM 406 O GLU A 26 -7.850 6.495 -7.881 1.00 50.22 O ATOM 407 CB GLU A 26 -5.866 7.824 -5.633 1.00 31.53 C ATOM 408 CG GLU A 26 -5.073 7.827 -6.929 1.00 20.13 C ATOM 409 CD GLU A 26 -4.365 9.145 -7.176 1.00 22.22 C ATOM 410 OE1 GLU A 26 -3.878 9.750 -6.198 1.00 65.42 O ATOM 411 OE2 GLU A 26 -4.298 9.571 -8.348 1.00 20.10 O ATOM 0 H GLU A 26 -7.436 7.491 -3.749 1.00 10.34 H new ATOM 0 HA GLU A 26 -7.752 8.535 -6.379 1.00 34.15 H new ATOM 0 HB2 GLU A 26 -5.675 8.754 -5.098 1.00 31.53 H new ATOM 0 HB3 GLU A 26 -5.508 7.013 -4.999 1.00 31.53 H new ATOM 0 HG2 GLU A 26 -4.337 7.023 -6.902 1.00 20.13 H new ATOM 0 HG3 GLU A 26 -5.744 7.618 -7.762 1.00 20.13 H new ATOM 418 N LEU A 27 -7.685 5.268 -6.003 1.00 34.43 N ATOM 419 CA LEU A 27 -7.946 4.001 -6.677 1.00 72.41 C ATOM 420 C LEU A 27 -9.373 3.953 -7.214 1.00 32.14 C ATOM 421 O LEU A 27 -9.600 3.620 -8.377 1.00 71.10 O ATOM 422 CB LEU A 27 -7.710 2.832 -5.719 1.00 12.13 C ATOM 423 CG LEU A 27 -6.587 1.868 -6.100 1.00 25.41 C ATOM 424 CD1 LEU A 27 -6.487 0.737 -5.088 1.00 11.03 C ATOM 425 CD2 LEU A 27 -6.810 1.315 -7.500 1.00 34.42 C ATOM 0 H LEU A 27 -7.529 5.187 -4.998 1.00 34.43 H new ATOM 0 HA LEU A 27 -7.258 3.918 -7.518 1.00 72.41 H new ATOM 0 HB2 LEU A 27 -7.494 3.237 -4.730 1.00 12.13 H new ATOM 0 HB3 LEU A 27 -8.637 2.264 -5.636 1.00 12.13 H new ATOM 0 HG LEU A 27 -5.646 2.418 -6.094 1.00 25.41 H new ATOM 0 HD11 LEU A 27 -5.682 0.061 -5.376 1.00 11.03 H new ATOM 0 HD12 LEU A 27 -6.279 1.149 -4.101 1.00 11.03 H new ATOM 0 HD13 LEU A 27 -7.429 0.189 -5.061 1.00 11.03 H new ATOM 0 HD21 LEU A 27 -6.001 0.631 -7.754 1.00 34.42 H new ATOM 0 HD22 LEU A 27 -7.760 0.782 -7.534 1.00 34.42 H new ATOM 0 HD23 LEU A 27 -6.829 2.136 -8.217 1.00 34.42 H new ATOM 437 N LYS A 28 -10.333 4.290 -6.359 1.00 2.14 N ATOM 438 CA LYS A 28 -11.738 4.290 -6.746 1.00 74.32 C ATOM 439 C LYS A 28 -12.009 5.347 -7.812 1.00 32.30 C ATOM 440 O LYS A 28 -12.770 5.115 -8.750 1.00 53.24 O ATOM 441 CB LYS A 28 -12.625 4.542 -5.525 1.00 54.40 C ATOM 442 CG LYS A 28 -12.429 5.914 -4.904 1.00 4.43 C ATOM 443 CD LYS A 28 -13.219 6.061 -3.614 1.00 43.21 C ATOM 444 CE LYS A 28 -14.717 5.996 -3.868 1.00 21.41 C ATOM 445 NZ LYS A 28 -15.498 6.522 -2.715 1.00 34.44 N ATOM 0 H LYS A 28 -10.163 4.567 -5.392 1.00 2.14 H new ATOM 0 HA LYS A 28 -11.974 3.311 -7.162 1.00 74.32 H new ATOM 0 HB2 LYS A 28 -13.669 4.430 -5.816 1.00 54.40 H new ATOM 0 HB3 LYS A 28 -12.420 3.780 -4.774 1.00 54.40 H new ATOM 0 HG2 LYS A 28 -11.370 6.075 -4.703 1.00 4.43 H new ATOM 0 HG3 LYS A 28 -12.740 6.682 -5.612 1.00 4.43 H new ATOM 0 HD2 LYS A 28 -12.932 5.272 -2.918 1.00 43.21 H new ATOM 0 HD3 LYS A 28 -12.970 7.010 -3.140 1.00 43.21 H new ATOM 0 HE2 LYS A 28 -14.959 6.570 -4.763 1.00 21.41 H new ATOM 0 HE3 LYS A 28 -15.008 4.964 -4.063 1.00 21.41 H new ATOM 0 HZ1 LYS A 28 -16.514 6.461 -2.927 1.00 34.44 H new ATOM 0 HZ2 LYS A 28 -15.287 5.959 -1.867 1.00 34.44 H new ATOM 0 HZ3 LYS A 28 -15.239 7.515 -2.545 1.00 34.44 H new ATOM 459 N GLY A 29 -11.380 6.508 -7.661 1.00 4.10 N ATOM 460 CA GLY A 29 -11.565 7.582 -8.619 1.00 10.52 C ATOM 461 C GLY A 29 -10.978 7.256 -9.977 1.00 61.35 C ATOM 462 O GLY A 29 -11.509 7.669 -11.008 1.00 54.51 O ATOM 0 H GLY A 29 -10.745 6.724 -6.892 1.00 4.10 H new ATOM 0 HA2 GLY A 29 -12.630 7.789 -8.727 1.00 10.52 H new ATOM 0 HA3 GLY A 29 -11.101 8.491 -8.235 1.00 10.52 H new ATOM 466 N LYS A 30 -9.877 6.512 -9.981 1.00 42.11 N ATOM 467 CA LYS A 30 -9.215 6.130 -11.223 1.00 33.41 C ATOM 468 C LYS A 30 -10.028 5.077 -11.971 1.00 11.44 C ATOM 469 O LYS A 30 -10.064 5.066 -13.202 1.00 34.52 O ATOM 470 CB LYS A 30 -7.811 5.594 -10.933 1.00 34.20 C ATOM 471 CG LYS A 30 -6.787 6.684 -10.669 1.00 30.42 C ATOM 472 CD LYS A 30 -6.086 7.112 -11.947 1.00 54.03 C ATOM 473 CE LYS A 30 -5.147 8.283 -11.703 1.00 14.34 C ATOM 474 NZ LYS A 30 -3.770 8.002 -12.194 1.00 51.10 N ATOM 0 H LYS A 30 -9.424 6.161 -9.137 1.00 42.11 H new ATOM 0 HA LYS A 30 -9.136 7.017 -11.851 1.00 33.41 H new ATOM 0 HB2 LYS A 30 -7.855 4.932 -10.068 1.00 34.20 H new ATOM 0 HB3 LYS A 30 -7.479 4.992 -11.779 1.00 34.20 H new ATOM 0 HG2 LYS A 30 -7.279 7.545 -10.217 1.00 30.42 H new ATOM 0 HG3 LYS A 30 -6.049 6.325 -9.951 1.00 30.42 H new ATOM 0 HD2 LYS A 30 -5.523 6.272 -12.353 1.00 54.03 H new ATOM 0 HD3 LYS A 30 -6.829 7.390 -12.695 1.00 54.03 H new ATOM 0 HE2 LYS A 30 -5.536 9.171 -12.202 1.00 14.34 H new ATOM 0 HE3 LYS A 30 -5.114 8.506 -10.636 1.00 14.34 H new ATOM 0 HZ1 LYS A 30 -3.161 8.824 -12.009 1.00 51.10 H new ATOM 0 HZ2 LYS A 30 -3.388 7.170 -11.700 1.00 51.10 H new ATOM 0 HZ3 LYS A 30 -3.798 7.815 -13.217 1.00 51.10 H new ATOM 488 N LEU A 31 -10.680 4.196 -11.220 1.00 2.42 N ATOM 489 CA LEU A 31 -11.494 3.141 -11.812 1.00 32.32 C ATOM 490 C LEU A 31 -12.744 3.720 -12.467 1.00 62.34 C ATOM 491 O LEU A 31 -13.116 3.325 -13.572 1.00 3.11 O ATOM 492 CB LEU A 31 -11.891 2.117 -10.746 1.00 40.42 C ATOM 493 CG LEU A 31 -12.191 0.705 -11.250 1.00 42.33 C ATOM 494 CD1 LEU A 31 -12.031 -0.308 -10.127 1.00 43.43 C ATOM 495 CD2 LEU A 31 -13.593 0.635 -11.838 1.00 44.34 C ATOM 0 H LEU A 31 -10.661 4.192 -10.200 1.00 2.42 H new ATOM 0 HA LEU A 31 -10.900 2.646 -12.580 1.00 32.32 H new ATOM 0 HB2 LEU A 31 -11.087 2.056 -10.012 1.00 40.42 H new ATOM 0 HB3 LEU A 31 -12.772 2.489 -10.223 1.00 40.42 H new ATOM 0 HG LEU A 31 -11.476 0.461 -12.036 1.00 42.33 H new ATOM 0 HD11 LEU A 31 -12.249 -1.307 -10.505 1.00 43.43 H new ATOM 0 HD12 LEU A 31 -11.008 -0.277 -9.752 1.00 43.43 H new ATOM 0 HD13 LEU A 31 -12.722 -0.067 -9.319 1.00 43.43 H new ATOM 0 HD21 LEU A 31 -13.789 -0.377 -12.192 1.00 44.34 H new ATOM 0 HD22 LEU A 31 -14.322 0.900 -11.072 1.00 44.34 H new ATOM 0 HD23 LEU A 31 -13.673 1.332 -12.672 1.00 44.34 H new ATOM 507 N GLU A 32 -13.386 4.659 -11.780 1.00 23.15 N ATOM 508 CA GLU A 32 -14.593 5.293 -12.297 1.00 23.13 C ATOM 509 C GLU A 32 -14.274 6.161 -13.510 1.00 41.33 C ATOM 510 O GLU A 32 -15.020 6.175 -14.489 1.00 1.53 O ATOM 511 CB GLU A 32 -15.256 6.141 -11.209 1.00 70.23 C ATOM 512 CG GLU A 32 -14.341 7.202 -10.622 1.00 41.11 C ATOM 513 CD GLU A 32 -14.994 7.976 -9.494 1.00 11.24 C ATOM 514 OE1 GLU A 32 -15.224 7.379 -8.421 1.00 5.43 O ATOM 515 OE2 GLU A 32 -15.276 9.178 -9.683 1.00 30.20 O ATOM 0 H GLU A 32 -13.091 4.998 -10.864 1.00 23.15 H new ATOM 0 HA GLU A 32 -15.282 4.507 -12.606 1.00 23.13 H new ATOM 0 HB2 GLU A 32 -16.139 6.625 -11.625 1.00 70.23 H new ATOM 0 HB3 GLU A 32 -15.599 5.486 -10.408 1.00 70.23 H new ATOM 0 HG2 GLU A 32 -13.431 6.728 -10.253 1.00 41.11 H new ATOM 0 HG3 GLU A 32 -14.043 7.895 -11.409 1.00 41.11 H new ATOM 522 N GLU A 33 -13.161 6.884 -13.437 1.00 44.24 N ATOM 523 CA GLU A 33 -12.744 7.756 -14.529 1.00 40.23 C ATOM 524 C GLU A 33 -12.331 6.940 -15.751 1.00 34.44 C ATOM 525 O GLU A 33 -12.548 7.353 -16.889 1.00 53.45 O ATOM 526 CB GLU A 33 -11.584 8.650 -14.084 1.00 73.40 C ATOM 527 CG GLU A 33 -11.482 9.948 -14.866 1.00 5.41 C ATOM 528 CD GLU A 33 -12.731 10.800 -14.750 1.00 31.41 C ATOM 529 OE1 GLU A 33 -13.544 10.541 -13.838 1.00 24.51 O ATOM 530 OE2 GLU A 33 -12.896 11.725 -15.572 1.00 2.52 O ATOM 0 H GLU A 33 -12.532 6.883 -12.634 1.00 44.24 H new ATOM 0 HA GLU A 33 -13.593 8.383 -14.802 1.00 40.23 H new ATOM 0 HB2 GLU A 33 -11.700 8.882 -13.025 1.00 73.40 H new ATOM 0 HB3 GLU A 33 -10.650 8.098 -14.189 1.00 73.40 H new ATOM 0 HG2 GLU A 33 -10.624 10.517 -14.508 1.00 5.41 H new ATOM 0 HG3 GLU A 33 -11.298 9.721 -15.916 1.00 5.41 H new ATOM 537 N SER A 34 -11.735 5.778 -15.504 1.00 62.32 N ATOM 538 CA SER A 34 -11.287 4.904 -16.583 1.00 13.22 C ATOM 539 C SER A 34 -12.472 4.408 -17.407 1.00 4.30 C ATOM 540 O SER A 34 -12.427 4.405 -18.637 1.00 11.24 O ATOM 541 CB SER A 34 -10.512 3.714 -16.015 1.00 73.41 C ATOM 542 OG SER A 34 -11.389 2.764 -15.434 1.00 54.24 O ATOM 0 H SER A 34 -11.551 5.420 -14.567 1.00 62.32 H new ATOM 0 HA SER A 34 -10.629 5.479 -17.234 1.00 13.22 H new ATOM 0 HB2 SER A 34 -9.933 3.241 -16.808 1.00 73.41 H new ATOM 0 HB3 SER A 34 -9.801 4.063 -15.266 1.00 73.41 H new ATOM 0 HG SER A 34 -11.945 3.203 -14.757 1.00 54.24 H new ATOM 548 N GLU A 35 -13.529 3.990 -16.719 1.00 75.11 N ATOM 549 CA GLU A 35 -14.726 3.491 -17.387 1.00 64.12 C ATOM 550 C GLU A 35 -15.610 4.644 -17.852 1.00 15.01 C ATOM 551 O GLU A 35 -16.586 4.441 -18.573 1.00 72.40 O ATOM 552 CB GLU A 35 -15.515 2.573 -16.451 1.00 4.42 C ATOM 553 CG GLU A 35 -14.944 1.169 -16.352 1.00 21.35 C ATOM 554 CD GLU A 35 -15.502 0.236 -17.409 1.00 15.14 C ATOM 555 OE1 GLU A 35 -15.556 0.642 -18.589 1.00 21.04 O ATOM 556 OE2 GLU A 35 -15.886 -0.899 -17.057 1.00 13.35 O ATOM 0 H GLU A 35 -13.582 3.987 -15.700 1.00 75.11 H new ATOM 0 HA GLU A 35 -14.412 2.921 -18.262 1.00 64.12 H new ATOM 0 HB2 GLU A 35 -15.540 3.017 -15.456 1.00 4.42 H new ATOM 0 HB3 GLU A 35 -16.546 2.513 -16.799 1.00 4.42 H new ATOM 0 HG2 GLU A 35 -13.859 1.214 -16.449 1.00 21.35 H new ATOM 0 HG3 GLU A 35 -15.159 0.762 -15.364 1.00 21.35 H new ATOM 563 N GLY A 36 -15.262 5.857 -17.432 1.00 23.51 N ATOM 564 CA GLY A 36 -16.034 7.024 -17.814 1.00 1.45 C ATOM 565 C GLY A 36 -17.127 7.348 -16.815 1.00 13.22 C ATOM 566 O GLY A 36 -17.353 8.514 -16.488 1.00 72.31 O ATOM 0 H GLY A 36 -14.459 6.052 -16.834 1.00 23.51 H new ATOM 0 HA2 GLY A 36 -15.368 7.881 -17.910 1.00 1.45 H new ATOM 0 HA3 GLY A 36 -16.480 6.856 -18.794 1.00 1.45 H new ATOM 570 N ILE A 37 -17.808 6.315 -16.330 1.00 54.41 N ATOM 571 CA ILE A 37 -18.884 6.496 -15.364 1.00 13.45 C ATOM 572 C ILE A 37 -18.830 5.430 -14.274 1.00 41.44 C ATOM 573 O ILE A 37 -18.304 4.334 -14.469 1.00 41.55 O ATOM 574 CB ILE A 37 -20.265 6.450 -16.043 1.00 75.23 C ATOM 575 CG1 ILE A 37 -20.351 5.252 -16.992 1.00 51.50 C ATOM 576 CG2 ILE A 37 -20.531 7.747 -16.793 1.00 62.31 C ATOM 577 CD1 ILE A 37 -21.741 5.015 -17.541 1.00 25.53 C ATOM 0 H ILE A 37 -17.633 5.344 -16.590 1.00 54.41 H new ATOM 0 HA ILE A 37 -18.742 7.479 -14.915 1.00 13.45 H new ATOM 0 HB ILE A 37 -21.028 6.336 -15.273 1.00 75.23 H new ATOM 0 HG12 ILE A 37 -19.662 5.407 -17.823 1.00 51.50 H new ATOM 0 HG13 ILE A 37 -20.019 4.357 -16.465 1.00 51.50 H new ATOM 0 HG21 ILE A 37 -21.511 7.699 -17.267 1.00 62.31 H new ATOM 0 HG22 ILE A 37 -20.507 8.583 -16.094 1.00 62.31 H new ATOM 0 HG23 ILE A 37 -19.765 7.890 -17.556 1.00 62.31 H new ATOM 0 HD11 ILE A 37 -21.727 4.151 -18.205 1.00 25.53 H new ATOM 0 HD12 ILE A 37 -22.431 4.829 -16.718 1.00 25.53 H new ATOM 0 HD13 ILE A 37 -22.068 5.894 -18.096 1.00 25.53 H new ATOM 589 N PRO A 38 -19.388 5.756 -13.099 1.00 40.41 N ATOM 590 CA PRO A 38 -19.418 4.839 -11.956 1.00 12.52 C ATOM 591 C PRO A 38 -20.355 3.658 -12.184 1.00 51.44 C ATOM 592 O PRO A 38 -21.448 3.817 -12.726 1.00 72.54 O ATOM 593 CB PRO A 38 -19.933 5.716 -10.811 1.00 44.44 C ATOM 594 CG PRO A 38 -20.717 6.792 -11.481 1.00 62.50 C ATOM 595 CD PRO A 38 -20.033 7.045 -12.796 1.00 40.00 C ATOM 0 HA PRO A 38 -18.441 4.394 -11.765 1.00 12.52 H new ATOM 0 HB2 PRO A 38 -20.555 5.143 -10.123 1.00 44.44 H new ATOM 0 HB3 PRO A 38 -19.110 6.130 -10.228 1.00 44.44 H new ATOM 0 HG2 PRO A 38 -21.752 6.484 -11.632 1.00 62.50 H new ATOM 0 HG3 PRO A 38 -20.739 7.696 -10.872 1.00 62.50 H new ATOM 0 HD2 PRO A 38 -20.745 7.330 -13.571 1.00 40.00 H new ATOM 0 HD3 PRO A 38 -19.304 7.851 -12.721 1.00 40.00 H new ATOM 603 N GLY A 39 -19.919 2.474 -11.767 1.00 34.51 N ATOM 604 CA GLY A 39 -20.732 1.283 -11.935 1.00 71.01 C ATOM 605 C GLY A 39 -22.064 1.384 -11.219 1.00 53.50 C ATOM 606 O GLY A 39 -23.108 1.065 -11.787 1.00 44.43 O ATOM 0 H GLY A 39 -19.018 2.318 -11.316 1.00 34.51 H new ATOM 0 HA2 GLY A 39 -20.906 1.113 -12.997 1.00 71.01 H new ATOM 0 HA3 GLY A 39 -20.186 0.418 -11.559 1.00 71.01 H new ATOM 610 N ASN A 40 -22.029 1.829 -9.967 1.00 30.21 N ATOM 611 CA ASN A 40 -23.243 1.969 -9.171 1.00 52.22 C ATOM 612 C ASN A 40 -22.910 2.369 -7.737 1.00 34.31 C ATOM 613 O ASN A 40 -23.163 3.500 -7.323 1.00 20.44 O ATOM 614 CB ASN A 40 -24.036 0.660 -9.177 1.00 42.52 C ATOM 615 CG ASN A 40 -25.421 0.826 -9.772 1.00 41.21 C ATOM 616 OD1 ASN A 40 -25.576 0.948 -10.987 1.00 51.42 O ATOM 617 ND2 ASN A 40 -26.436 0.831 -8.916 1.00 3.24 N ATOM 0 H ASN A 40 -21.173 2.099 -9.482 1.00 30.21 H new ATOM 0 HA ASN A 40 -23.851 2.756 -9.617 1.00 52.22 H new ATOM 0 HB2 ASN A 40 -23.487 -0.091 -9.745 1.00 42.52 H new ATOM 0 HB3 ASN A 40 -24.124 0.287 -8.157 1.00 42.52 H new ATOM 0 HD21 ASN A 40 -27.391 0.939 -9.258 1.00 3.24 H new ATOM 0 HD22 ASN A 40 -26.261 0.727 -7.917 1.00 3.24 H new ATOM 624 N MET A 41 -22.342 1.432 -6.984 1.00 42.44 N ATOM 625 CA MET A 41 -21.973 1.688 -5.597 1.00 24.41 C ATOM 626 C MET A 41 -20.463 1.854 -5.458 1.00 23.42 C ATOM 627 O MET A 41 -19.990 2.740 -4.746 1.00 44.33 O ATOM 628 CB MET A 41 -22.457 0.547 -4.700 1.00 22.22 C ATOM 629 CG MET A 41 -23.864 0.751 -4.163 1.00 11.31 C ATOM 630 SD MET A 41 -24.360 -0.539 -3.006 1.00 33.15 S ATOM 631 CE MET A 41 -26.104 -0.176 -2.821 1.00 15.11 C ATOM 0 H MET A 41 -22.128 0.490 -7.311 1.00 42.44 H new ATOM 0 HA MET A 41 -22.453 2.615 -5.284 1.00 24.41 H new ATOM 0 HB2 MET A 41 -22.424 -0.386 -5.263 1.00 22.22 H new ATOM 0 HB3 MET A 41 -21.769 0.438 -3.861 1.00 22.22 H new ATOM 0 HG2 MET A 41 -23.923 1.720 -3.667 1.00 11.31 H new ATOM 0 HG3 MET A 41 -24.566 0.776 -4.996 1.00 11.31 H new ATOM 0 HE1 MET A 41 -26.553 -0.891 -2.132 1.00 15.11 H new ATOM 0 HE2 MET A 41 -26.226 0.833 -2.427 1.00 15.11 H new ATOM 0 HE3 MET A 41 -26.596 -0.248 -3.791 1.00 15.11 H new ATOM 641 N ILE A 42 -19.712 0.996 -6.141 1.00 32.34 N ATOM 642 CA ILE A 42 -18.256 1.049 -6.093 1.00 34.20 C ATOM 643 C ILE A 42 -17.757 1.145 -4.656 1.00 4.15 C ATOM 644 O ILE A 42 -17.025 2.070 -4.303 1.00 24.02 O ATOM 645 CB ILE A 42 -17.710 2.244 -6.896 1.00 11.33 C ATOM 646 CG1 ILE A 42 -18.396 2.326 -8.261 1.00 10.00 C ATOM 647 CG2 ILE A 42 -16.202 2.127 -7.061 1.00 33.05 C ATOM 648 CD1 ILE A 42 -19.400 3.452 -8.366 1.00 53.32 C ATOM 0 H ILE A 42 -20.088 0.256 -6.734 1.00 32.34 H new ATOM 0 HA ILE A 42 -17.891 0.124 -6.540 1.00 34.20 H new ATOM 0 HB ILE A 42 -17.926 3.160 -6.347 1.00 11.33 H new ATOM 0 HG12 ILE A 42 -17.637 2.454 -9.033 1.00 10.00 H new ATOM 0 HG13 ILE A 42 -18.900 1.381 -8.463 1.00 10.00 H new ATOM 0 HG21 ILE A 42 -15.831 2.979 -7.631 1.00 33.05 H new ATOM 0 HG22 ILE A 42 -15.729 2.113 -6.079 1.00 33.05 H new ATOM 0 HG23 ILE A 42 -15.964 1.205 -7.591 1.00 33.05 H new ATOM 0 HD11 ILE A 42 -19.847 3.450 -9.360 1.00 53.32 H new ATOM 0 HD12 ILE A 42 -20.180 3.315 -7.617 1.00 53.32 H new ATOM 0 HD13 ILE A 42 -18.898 4.404 -8.196 1.00 53.32 H new ATOM 660 N ARG A 43 -18.156 0.183 -3.830 1.00 64.34 N ATOM 661 CA ARG A 43 -17.748 0.158 -2.431 1.00 3.40 C ATOM 662 C ARG A 43 -17.022 -1.142 -2.099 1.00 21.13 C ATOM 663 O ARG A 43 -17.550 -2.233 -2.316 1.00 32.53 O ATOM 664 CB ARG A 43 -18.965 0.322 -1.520 1.00 15.42 C ATOM 665 CG ARG A 43 -18.994 1.646 -0.774 1.00 10.42 C ATOM 666 CD ARG A 43 -20.395 2.237 -0.741 1.00 42.43 C ATOM 667 NE ARG A 43 -21.093 1.922 0.502 1.00 74.33 N ATOM 668 CZ ARG A 43 -22.260 2.457 0.846 1.00 64.34 C ATOM 669 NH1 ARG A 43 -22.855 3.329 0.044 1.00 62.23 N ATOM 670 NH2 ARG A 43 -22.833 2.119 1.994 1.00 51.05 N ATOM 0 H ARG A 43 -18.762 -0.590 -4.106 1.00 64.34 H new ATOM 0 HA ARG A 43 -17.063 0.989 -2.264 1.00 3.40 H new ATOM 0 HB2 ARG A 43 -19.871 0.232 -2.119 1.00 15.42 H new ATOM 0 HB3 ARG A 43 -18.979 -0.493 -0.797 1.00 15.42 H new ATOM 0 HG2 ARG A 43 -18.636 1.499 0.245 1.00 10.42 H new ATOM 0 HG3 ARG A 43 -18.313 2.349 -1.252 1.00 10.42 H new ATOM 0 HD2 ARG A 43 -20.335 3.319 -0.859 1.00 42.43 H new ATOM 0 HD3 ARG A 43 -20.969 1.856 -1.586 1.00 42.43 H new ATOM 0 HE ARG A 43 -20.661 1.255 1.141 1.00 74.33 H new ATOM 0 HH11 ARG A 43 -22.417 3.591 -0.839 1.00 62.23 H new ATOM 0 HH12 ARG A 43 -23.751 3.738 0.310 1.00 62.23 H new ATOM 0 HH21 ARG A 43 -22.378 1.448 2.613 1.00 51.05 H new ATOM 0 HH22 ARG A 43 -23.729 2.530 2.257 1.00 51.05 H new ATOM 684 N LEU A 44 -15.809 -1.018 -1.572 1.00 23.41 N ATOM 685 CA LEU A 44 -15.009 -2.184 -1.210 1.00 14.22 C ATOM 686 C LEU A 44 -14.979 -2.374 0.303 1.00 25.13 C ATOM 687 O LEU A 44 -15.181 -1.427 1.063 1.00 13.10 O ATOM 688 CB LEU A 44 -13.584 -2.036 -1.746 1.00 13.12 C ATOM 689 CG LEU A 44 -12.805 -0.816 -1.252 1.00 62.54 C ATOM 690 CD1 LEU A 44 -11.318 -1.128 -1.176 1.00 73.31 C ATOM 691 CD2 LEU A 44 -13.055 0.379 -2.160 1.00 1.33 C ATOM 0 H LEU A 44 -15.358 -0.123 -1.386 1.00 23.41 H new ATOM 0 HA LEU A 44 -15.469 -3.064 -1.659 1.00 14.22 H new ATOM 0 HB2 LEU A 44 -13.023 -2.932 -1.482 1.00 13.12 H new ATOM 0 HB3 LEU A 44 -13.629 -1.997 -2.834 1.00 13.12 H new ATOM 0 HG LEU A 44 -13.155 -0.566 -0.250 1.00 62.54 H new ATOM 0 HD11 LEU A 44 -10.779 -0.249 -0.823 1.00 73.31 H new ATOM 0 HD12 LEU A 44 -11.155 -1.955 -0.485 1.00 73.31 H new ATOM 0 HD13 LEU A 44 -10.953 -1.404 -2.165 1.00 73.31 H new ATOM 0 HD21 LEU A 44 -12.493 1.238 -1.794 1.00 1.33 H new ATOM 0 HD22 LEU A 44 -12.733 0.140 -3.173 1.00 1.33 H new ATOM 0 HD23 LEU A 44 -14.119 0.616 -2.164 1.00 1.33 H new ATOM 703 N VAL A 45 -14.721 -3.605 0.735 1.00 54.13 N ATOM 704 CA VAL A 45 -14.660 -3.919 2.157 1.00 33.31 C ATOM 705 C VAL A 45 -13.254 -4.341 2.567 1.00 63.22 C ATOM 706 O VAL A 45 -12.723 -5.334 2.069 1.00 24.43 O ATOM 707 CB VAL A 45 -15.649 -5.041 2.527 1.00 50.20 C ATOM 708 CG1 VAL A 45 -15.660 -5.268 4.031 1.00 74.31 C ATOM 709 CG2 VAL A 45 -17.044 -4.710 2.019 1.00 51.41 C ATOM 0 H VAL A 45 -14.551 -4.401 0.120 1.00 54.13 H new ATOM 0 HA VAL A 45 -14.935 -3.011 2.694 1.00 33.31 H new ATOM 0 HB VAL A 45 -15.322 -5.963 2.047 1.00 50.20 H new ATOM 0 HG11 VAL A 45 -16.364 -6.064 4.274 1.00 74.31 H new ATOM 0 HG12 VAL A 45 -14.662 -5.553 4.363 1.00 74.31 H new ATOM 0 HG13 VAL A 45 -15.962 -4.350 4.535 1.00 74.31 H new ATOM 0 HG21 VAL A 45 -17.730 -5.513 2.289 1.00 51.41 H new ATOM 0 HG22 VAL A 45 -17.383 -3.777 2.469 1.00 51.41 H new ATOM 0 HG23 VAL A 45 -17.020 -4.603 0.935 1.00 51.41 H new ATOM 719 N TYR A 46 -12.656 -3.581 3.477 1.00 44.43 N ATOM 720 CA TYR A 46 -11.309 -3.874 3.953 1.00 60.24 C ATOM 721 C TYR A 46 -11.351 -4.591 5.299 1.00 51.50 C ATOM 722 O TYR A 46 -11.804 -4.031 6.297 1.00 21.22 O ATOM 723 CB TYR A 46 -10.496 -2.584 4.074 1.00 63.42 C ATOM 724 CG TYR A 46 -9.076 -2.714 3.570 1.00 51.02 C ATOM 725 CD1 TYR A 46 -8.288 -3.802 3.926 1.00 75.02 C ATOM 726 CD2 TYR A 46 -8.522 -1.748 2.739 1.00 70.44 C ATOM 727 CE1 TYR A 46 -6.991 -3.924 3.468 1.00 23.53 C ATOM 728 CE2 TYR A 46 -7.226 -1.863 2.275 1.00 22.42 C ATOM 729 CZ TYR A 46 -6.464 -2.953 2.643 1.00 51.11 C ATOM 730 OH TYR A 46 -5.172 -3.070 2.185 1.00 61.44 O ATOM 0 H TYR A 46 -13.083 -2.757 3.900 1.00 44.43 H new ATOM 0 HA TYR A 46 -10.829 -4.531 3.227 1.00 60.24 H new ATOM 0 HB2 TYR A 46 -10.999 -1.794 3.517 1.00 63.42 H new ATOM 0 HB3 TYR A 46 -10.475 -2.274 5.119 1.00 63.42 H new ATOM 0 HD1 TYR A 46 -8.697 -4.565 4.572 1.00 75.02 H new ATOM 0 HD2 TYR A 46 -9.115 -0.892 2.451 1.00 70.44 H new ATOM 0 HE1 TYR A 46 -6.392 -4.776 3.755 1.00 23.53 H new ATOM 0 HE2 TYR A 46 -6.811 -1.104 1.628 1.00 22.42 H new ATOM 0 HH TYR A 46 -4.956 -2.303 1.614 1.00 61.44 H new ATOM 740 N GLN A 47 -10.875 -5.831 5.317 1.00 61.32 N ATOM 741 CA GLN A 47 -10.858 -6.625 6.540 1.00 41.11 C ATOM 742 C GLN A 47 -12.256 -6.728 7.141 1.00 24.13 C ATOM 743 O GLN A 47 -12.417 -6.756 8.361 1.00 51.34 O ATOM 744 CB GLN A 47 -9.896 -6.011 7.558 1.00 3.31 C ATOM 745 CG GLN A 47 -9.008 -7.033 8.250 1.00 42.34 C ATOM 746 CD GLN A 47 -7.564 -6.956 7.793 1.00 13.30 C ATOM 747 OE1 GLN A 47 -7.027 -7.911 7.231 1.00 10.42 O ATOM 748 NE2 GLN A 47 -6.927 -5.815 8.032 1.00 35.33 N ATOM 0 H GLN A 47 -10.496 -6.308 4.499 1.00 61.32 H new ATOM 0 HA GLN A 47 -10.516 -7.629 6.287 1.00 41.11 H new ATOM 0 HB2 GLN A 47 -9.267 -5.277 7.054 1.00 3.31 H new ATOM 0 HB3 GLN A 47 -10.472 -5.473 8.311 1.00 3.31 H new ATOM 0 HG2 GLN A 47 -9.053 -6.877 9.328 1.00 42.34 H new ATOM 0 HG3 GLN A 47 -9.394 -8.034 8.056 1.00 42.34 H new ATOM 0 HE21 GLN A 47 -7.411 -5.049 8.501 1.00 35.33 H new ATOM 0 HE22 GLN A 47 -5.954 -5.705 7.747 1.00 35.33 H new ATOM 757 N GLY A 48 -13.264 -6.785 6.277 1.00 51.44 N ATOM 758 CA GLY A 48 -14.635 -6.884 6.742 1.00 53.44 C ATOM 759 C GLY A 48 -15.204 -5.542 7.159 1.00 53.14 C ATOM 760 O GLY A 48 -16.330 -5.462 7.650 1.00 55.13 O ATOM 0 H GLY A 48 -13.156 -6.764 5.263 1.00 51.44 H new ATOM 0 HA2 GLY A 48 -15.254 -7.308 5.951 1.00 53.44 H new ATOM 0 HA3 GLY A 48 -14.680 -7.573 7.586 1.00 53.44 H new ATOM 764 N LYS A 49 -14.424 -4.484 6.965 1.00 71.14 N ATOM 765 CA LYS A 49 -14.855 -3.138 7.324 1.00 74.40 C ATOM 766 C LYS A 49 -15.187 -2.323 6.079 1.00 40.55 C ATOM 767 O LYS A 49 -14.776 -2.670 4.972 1.00 52.54 O ATOM 768 CB LYS A 49 -13.767 -2.431 8.135 1.00 32.40 C ATOM 769 CG LYS A 49 -14.200 -2.064 9.544 1.00 73.32 C ATOM 770 CD LYS A 49 -14.574 -3.296 10.351 1.00 23.32 C ATOM 771 CE LYS A 49 -13.374 -4.205 10.568 1.00 24.15 C ATOM 772 NZ LYS A 49 -13.680 -5.310 11.519 1.00 65.02 N ATOM 0 H LYS A 49 -13.489 -4.533 6.561 1.00 71.14 H new ATOM 0 HA LYS A 49 -15.756 -3.222 7.932 1.00 74.40 H new ATOM 0 HB2 LYS A 49 -12.890 -3.076 8.190 1.00 32.40 H new ATOM 0 HB3 LYS A 49 -13.465 -1.525 7.609 1.00 32.40 H new ATOM 0 HG2 LYS A 49 -13.393 -1.530 10.046 1.00 73.32 H new ATOM 0 HG3 LYS A 49 -15.052 -1.385 9.499 1.00 73.32 H new ATOM 0 HD2 LYS A 49 -14.980 -2.991 11.316 1.00 23.32 H new ATOM 0 HD3 LYS A 49 -15.360 -3.846 9.834 1.00 23.32 H new ATOM 0 HE2 LYS A 49 -13.059 -4.625 9.613 1.00 24.15 H new ATOM 0 HE3 LYS A 49 -12.538 -3.618 10.950 1.00 24.15 H new ATOM 0 HZ1 LYS A 49 -12.837 -5.907 11.640 1.00 65.02 H new ATOM 0 HZ2 LYS A 49 -13.956 -4.910 12.438 1.00 65.02 H new ATOM 0 HZ3 LYS A 49 -14.461 -5.885 11.143 1.00 65.02 H new ATOM 786 N GLN A 50 -15.930 -1.237 6.268 1.00 35.31 N ATOM 787 CA GLN A 50 -16.316 -0.372 5.159 1.00 24.42 C ATOM 788 C GLN A 50 -15.782 1.042 5.361 1.00 31.03 C ATOM 789 O GLN A 50 -15.369 1.410 6.462 1.00 65.42 O ATOM 790 CB GLN A 50 -17.838 -0.340 5.015 1.00 70.33 C ATOM 791 CG GLN A 50 -18.485 -1.714 5.086 1.00 31.01 C ATOM 792 CD GLN A 50 -19.021 -2.036 6.467 1.00 13.51 C ATOM 793 OE1 GLN A 50 -18.468 -1.600 7.477 1.00 20.14 O ATOM 794 NE2 GLN A 50 -20.105 -2.802 6.518 1.00 3.53 N ATOM 0 H GLN A 50 -16.277 -0.935 7.179 1.00 35.31 H new ATOM 0 HA GLN A 50 -15.881 -0.778 4.246 1.00 24.42 H new ATOM 0 HB2 GLN A 50 -18.256 0.290 5.800 1.00 70.33 H new ATOM 0 HB3 GLN A 50 -18.095 0.125 4.063 1.00 70.33 H new ATOM 0 HG2 GLN A 50 -19.299 -1.766 4.363 1.00 31.01 H new ATOM 0 HG3 GLN A 50 -17.755 -2.470 4.798 1.00 31.01 H new ATOM 0 HE21 GLN A 50 -20.531 -3.141 5.655 1.00 3.53 H new ATOM 0 HE22 GLN A 50 -20.512 -3.051 7.420 1.00 3.53 H new ATOM 803 N LEU A 51 -15.794 1.832 4.293 1.00 21.50 N ATOM 804 CA LEU A 51 -15.311 3.207 4.353 1.00 62.33 C ATOM 805 C LEU A 51 -13.824 3.247 4.689 1.00 45.41 C ATOM 806 O LEU A 51 -13.436 3.112 5.849 1.00 13.40 O ATOM 807 CB LEU A 51 -16.102 4.001 5.393 1.00 53.52 C ATOM 808 CG LEU A 51 -17.602 3.709 5.462 1.00 4.22 C ATOM 809 CD1 LEU A 51 -18.225 4.402 6.664 1.00 55.34 C ATOM 810 CD2 LEU A 51 -18.290 4.144 4.176 1.00 2.15 C ATOM 0 H LEU A 51 -16.133 1.544 3.375 1.00 21.50 H new ATOM 0 HA LEU A 51 -15.455 3.660 3.372 1.00 62.33 H new ATOM 0 HB2 LEU A 51 -15.669 3.808 6.375 1.00 53.52 H new ATOM 0 HB3 LEU A 51 -15.968 5.063 5.189 1.00 53.52 H new ATOM 0 HG LEU A 51 -17.739 2.634 5.577 1.00 4.22 H new ATOM 0 HD11 LEU A 51 -19.292 4.183 6.697 1.00 55.34 H new ATOM 0 HD12 LEU A 51 -17.752 4.041 7.577 1.00 55.34 H new ATOM 0 HD13 LEU A 51 -18.078 5.479 6.580 1.00 55.34 H new ATOM 0 HD21 LEU A 51 -19.356 3.929 4.243 1.00 2.15 H new ATOM 0 HD22 LEU A 51 -18.144 5.214 4.030 1.00 2.15 H new ATOM 0 HD23 LEU A 51 -17.863 3.601 3.333 1.00 2.15 H new ATOM 822 N GLU A 52 -12.996 3.436 3.666 1.00 3.30 N ATOM 823 CA GLU A 52 -11.551 3.496 3.854 1.00 0.15 C ATOM 824 C GLU A 52 -10.981 4.791 3.282 1.00 62.30 C ATOM 825 O GLU A 52 -9.779 5.045 3.370 1.00 34.14 O ATOM 826 CB GLU A 52 -10.878 2.292 3.192 1.00 44.51 C ATOM 827 CG GLU A 52 -11.533 0.965 3.533 1.00 62.44 C ATOM 828 CD GLU A 52 -12.223 0.332 2.340 1.00 71.30 C ATOM 829 OE1 GLU A 52 -11.703 0.465 1.213 1.00 44.02 O ATOM 830 OE2 GLU A 52 -13.284 -0.297 2.535 1.00 73.54 O ATOM 0 H GLU A 52 -13.301 3.550 2.699 1.00 3.30 H new ATOM 0 HA GLU A 52 -11.348 3.473 4.925 1.00 0.15 H new ATOM 0 HB2 GLU A 52 -10.893 2.427 2.111 1.00 44.51 H new ATOM 0 HB3 GLU A 52 -9.831 2.259 3.495 1.00 44.51 H new ATOM 0 HG2 GLU A 52 -10.778 0.279 3.917 1.00 62.44 H new ATOM 0 HG3 GLU A 52 -12.261 1.117 4.330 1.00 62.44 H new ATOM 837 N ASP A 53 -11.851 5.605 2.695 1.00 71.42 N ATOM 838 CA ASP A 53 -11.436 6.873 2.108 1.00 43.32 C ATOM 839 C ASP A 53 -10.677 7.720 3.125 1.00 63.12 C ATOM 840 O ASP A 53 -9.677 8.356 2.793 1.00 11.34 O ATOM 841 CB ASP A 53 -12.652 7.643 1.591 1.00 11.22 C ATOM 842 CG ASP A 53 -12.373 8.356 0.282 1.00 32.44 C ATOM 843 OD1 ASP A 53 -11.832 9.481 0.322 1.00 31.34 O ATOM 844 OD2 ASP A 53 -12.695 7.788 -0.782 1.00 71.10 O ATOM 0 H ASP A 53 -12.849 5.409 2.613 1.00 71.42 H new ATOM 0 HA ASP A 53 -10.770 6.657 1.272 1.00 43.32 H new ATOM 0 HB2 ASP A 53 -13.484 6.953 1.455 1.00 11.22 H new ATOM 0 HB3 ASP A 53 -12.962 8.372 2.340 1.00 11.22 H new ATOM 849 N GLU A 54 -11.160 7.723 4.363 1.00 22.33 N ATOM 850 CA GLU A 54 -10.527 8.493 5.428 1.00 52.14 C ATOM 851 C GLU A 54 -9.154 7.922 5.770 1.00 50.20 C ATOM 852 O GLU A 54 -8.303 8.614 6.330 1.00 50.04 O ATOM 853 CB GLU A 54 -11.413 8.504 6.675 1.00 22.23 C ATOM 854 CG GLU A 54 -11.744 9.900 7.175 1.00 41.14 C ATOM 855 CD GLU A 54 -12.932 10.510 6.456 1.00 3.20 C ATOM 856 OE1 GLU A 54 -12.749 11.013 5.328 1.00 71.23 O ATOM 857 OE2 GLU A 54 -14.044 10.485 7.023 1.00 73.52 O ATOM 0 H GLU A 54 -11.987 7.201 4.654 1.00 22.33 H new ATOM 0 HA GLU A 54 -10.398 9.516 5.075 1.00 52.14 H new ATOM 0 HB2 GLU A 54 -12.341 7.976 6.455 1.00 22.23 H new ATOM 0 HB3 GLU A 54 -10.913 7.952 7.470 1.00 22.23 H new ATOM 0 HG2 GLU A 54 -11.953 9.859 8.244 1.00 41.14 H new ATOM 0 HG3 GLU A 54 -10.875 10.544 7.044 1.00 41.14 H new ATOM 864 N LYS A 55 -8.945 6.655 5.430 1.00 34.34 N ATOM 865 CA LYS A 55 -7.677 5.989 5.700 1.00 24.21 C ATOM 866 C LYS A 55 -6.779 6.008 4.467 1.00 51.21 C ATOM 867 O LYS A 55 -6.088 5.032 4.175 1.00 34.21 O ATOM 868 CB LYS A 55 -7.919 4.545 6.145 1.00 74.44 C ATOM 869 CG LYS A 55 -8.280 4.413 7.614 1.00 23.02 C ATOM 870 CD LYS A 55 -9.740 4.751 7.863 1.00 72.53 C ATOM 871 CE LYS A 55 -10.381 3.771 8.834 1.00 73.12 C ATOM 872 NZ LYS A 55 -11.854 3.678 8.637 1.00 54.34 N ATOM 0 H LYS A 55 -9.639 6.068 4.966 1.00 34.34 H new ATOM 0 HA LYS A 55 -7.175 6.530 6.502 1.00 24.21 H new ATOM 0 HB2 LYS A 55 -8.721 4.118 5.543 1.00 74.44 H new ATOM 0 HB3 LYS A 55 -7.023 3.957 5.946 1.00 74.44 H new ATOM 0 HG2 LYS A 55 -8.079 3.395 7.949 1.00 23.02 H new ATOM 0 HG3 LYS A 55 -7.647 5.074 8.206 1.00 23.02 H new ATOM 0 HD2 LYS A 55 -9.818 5.763 8.261 1.00 72.53 H new ATOM 0 HD3 LYS A 55 -10.284 4.738 6.919 1.00 72.53 H new ATOM 0 HE2 LYS A 55 -9.934 2.785 8.703 1.00 73.12 H new ATOM 0 HE3 LYS A 55 -10.170 4.083 9.857 1.00 73.12 H new ATOM 0 HZ1 LYS A 55 -12.239 2.928 9.246 1.00 54.34 H new ATOM 0 HZ2 LYS A 55 -12.295 4.586 8.885 1.00 54.34 H new ATOM 0 HZ3 LYS A 55 -12.058 3.455 7.642 1.00 54.34 H new ATOM 886 N ARG A 56 -6.793 7.126 3.748 1.00 71.21 N ATOM 887 CA ARG A 56 -5.980 7.272 2.547 1.00 71.44 C ATOM 888 C ARG A 56 -4.538 6.847 2.811 1.00 55.01 C ATOM 889 O ARG A 56 -4.133 5.737 2.463 1.00 50.23 O ATOM 890 CB ARG A 56 -6.014 8.720 2.055 1.00 74.35 C ATOM 891 CG ARG A 56 -6.155 9.740 3.173 1.00 71.34 C ATOM 892 CD ARG A 56 -7.575 10.275 3.262 1.00 15.44 C ATOM 893 NE ARG A 56 -7.604 11.702 3.574 1.00 22.13 N ATOM 894 CZ ARG A 56 -7.440 12.190 4.799 1.00 71.31 C ATOM 895 NH1 ARG A 56 -7.237 11.370 5.821 1.00 11.00 N ATOM 896 NH2 ARG A 56 -7.479 13.500 5.003 1.00 41.30 N ATOM 0 H ARG A 56 -7.358 7.944 3.977 1.00 71.21 H new ATOM 0 HA ARG A 56 -6.396 6.624 1.776 1.00 71.44 H new ATOM 0 HB2 ARG A 56 -5.100 8.927 1.499 1.00 74.35 H new ATOM 0 HB3 ARG A 56 -6.845 8.839 1.359 1.00 74.35 H new ATOM 0 HG2 ARG A 56 -5.877 9.282 4.122 1.00 71.34 H new ATOM 0 HG3 ARG A 56 -5.464 10.566 3.003 1.00 71.34 H new ATOM 0 HD2 ARG A 56 -8.088 10.100 2.316 1.00 15.44 H new ATOM 0 HD3 ARG A 56 -8.122 9.725 4.028 1.00 15.44 H new ATOM 0 HE ARG A 56 -7.759 12.360 2.810 1.00 22.13 H new ATOM 0 HH11 ARG A 56 -7.206 10.362 5.668 1.00 11.00 H new ATOM 0 HH12 ARG A 56 -7.111 11.747 6.760 1.00 11.00 H new ATOM 0 HH21 ARG A 56 -7.635 14.134 4.219 1.00 41.30 H new ATOM 0 HH22 ARG A 56 -7.353 13.874 5.944 1.00 41.30 H new ATOM 910 N LEU A 57 -3.769 7.737 3.428 1.00 61.12 N ATOM 911 CA LEU A 57 -2.372 7.455 3.739 1.00 43.12 C ATOM 912 C LEU A 57 -2.255 6.285 4.710 1.00 34.12 C ATOM 913 O LEU A 57 -1.321 5.487 4.630 1.00 43.51 O ATOM 914 CB LEU A 57 -1.701 8.695 4.333 1.00 30.22 C ATOM 915 CG LEU A 57 -0.177 8.752 4.221 1.00 52.41 C ATOM 916 CD1 LEU A 57 0.319 10.177 4.411 1.00 14.42 C ATOM 917 CD2 LEU A 57 0.468 7.821 5.237 1.00 41.21 C ATOM 0 H LEU A 57 -4.089 8.660 3.723 1.00 61.12 H new ATOM 0 HA LEU A 57 -1.867 7.185 2.812 1.00 43.12 H new ATOM 0 HB2 LEU A 57 -2.115 9.577 3.844 1.00 30.22 H new ATOM 0 HB3 LEU A 57 -1.971 8.760 5.387 1.00 30.22 H new ATOM 0 HG LEU A 57 0.107 8.420 3.222 1.00 52.41 H new ATOM 0 HD11 LEU A 57 1.406 10.198 4.328 1.00 14.42 H new ATOM 0 HD12 LEU A 57 -0.116 10.819 3.645 1.00 14.42 H new ATOM 0 HD13 LEU A 57 0.023 10.537 5.397 1.00 14.42 H new ATOM 0 HD21 LEU A 57 1.553 7.875 5.143 1.00 41.21 H new ATOM 0 HD22 LEU A 57 0.176 8.122 6.243 1.00 41.21 H new ATOM 0 HD23 LEU A 57 0.138 6.798 5.054 1.00 41.21 H new ATOM 929 N LYS A 58 -3.212 6.186 5.627 1.00 10.41 N ATOM 930 CA LYS A 58 -3.220 5.112 6.613 1.00 72.03 C ATOM 931 C LYS A 58 -3.240 3.748 5.930 1.00 30.13 C ATOM 932 O LYS A 58 -2.788 2.753 6.497 1.00 5.12 O ATOM 933 CB LYS A 58 -4.432 5.249 7.537 1.00 11.31 C ATOM 934 CG LYS A 58 -4.064 5.491 8.991 1.00 50.34 C ATOM 935 CD LYS A 58 -4.498 4.335 9.876 1.00 52.12 C ATOM 936 CE LYS A 58 -3.960 4.484 11.291 1.00 60.34 C ATOM 937 NZ LYS A 58 -4.132 3.235 12.084 1.00 55.14 N ATOM 0 H LYS A 58 -3.993 6.837 5.708 1.00 10.41 H new ATOM 0 HA LYS A 58 -2.309 5.189 7.206 1.00 72.03 H new ATOM 0 HB2 LYS A 58 -5.054 6.072 7.187 1.00 11.31 H new ATOM 0 HB3 LYS A 58 -5.034 4.343 7.469 1.00 11.31 H new ATOM 0 HG2 LYS A 58 -2.986 5.631 9.076 1.00 50.34 H new ATOM 0 HG3 LYS A 58 -4.533 6.412 9.338 1.00 50.34 H new ATOM 0 HD2 LYS A 58 -5.587 4.285 9.903 1.00 52.12 H new ATOM 0 HD3 LYS A 58 -4.146 3.396 9.449 1.00 52.12 H new ATOM 0 HE2 LYS A 58 -2.903 4.747 11.252 1.00 60.34 H new ATOM 0 HE3 LYS A 58 -4.474 5.305 11.791 1.00 60.34 H new ATOM 0 HZ1 LYS A 58 -3.753 3.377 13.042 1.00 55.14 H new ATOM 0 HZ2 LYS A 58 -5.143 2.998 12.143 1.00 55.14 H new ATOM 0 HZ3 LYS A 58 -3.620 2.457 11.621 1.00 55.14 H new ATOM 951 N ASP A 59 -3.765 3.709 4.711 1.00 54.21 N ATOM 952 CA ASP A 59 -3.842 2.467 3.950 1.00 5.31 C ATOM 953 C ASP A 59 -2.517 2.176 3.251 1.00 12.30 C ATOM 954 O ASP A 59 -2.271 1.054 2.809 1.00 64.01 O ATOM 955 CB ASP A 59 -4.970 2.543 2.921 1.00 51.24 C ATOM 956 CG ASP A 59 -6.265 1.947 3.436 1.00 12.54 C ATOM 957 OD1 ASP A 59 -6.528 2.063 4.651 1.00 34.05 O ATOM 958 OD2 ASP A 59 -7.015 1.365 2.625 1.00 33.01 O ATOM 0 H ASP A 59 -4.144 4.523 4.228 1.00 54.21 H new ATOM 0 HA ASP A 59 -4.051 1.655 4.646 1.00 5.31 H new ATOM 0 HB2 ASP A 59 -5.137 3.584 2.646 1.00 51.24 H new ATOM 0 HB3 ASP A 59 -4.667 2.018 2.015 1.00 51.24 H new ATOM 963 N TYR A 60 -1.669 3.194 3.154 1.00 54.21 N ATOM 964 CA TYR A 60 -0.372 3.049 2.505 1.00 24.23 C ATOM 965 C TYR A 60 0.604 2.293 3.402 1.00 0.13 C ATOM 966 O TYR A 60 1.583 1.718 2.927 1.00 55.15 O ATOM 967 CB TYR A 60 0.202 4.422 2.152 1.00 61.12 C ATOM 968 CG TYR A 60 1.510 4.355 1.395 1.00 15.43 C ATOM 969 CD1 TYR A 60 1.566 3.824 0.113 1.00 41.25 C ATOM 970 CD2 TYR A 60 2.688 4.823 1.963 1.00 22.42 C ATOM 971 CE1 TYR A 60 2.758 3.761 -0.582 1.00 64.34 C ATOM 972 CE2 TYR A 60 3.885 4.764 1.275 1.00 13.53 C ATOM 973 CZ TYR A 60 3.915 4.233 0.003 1.00 32.50 C ATOM 974 OH TYR A 60 5.105 4.171 -0.685 1.00 51.50 O ATOM 0 H TYR A 60 -1.857 4.129 3.517 1.00 54.21 H new ATOM 0 HA TYR A 60 -0.515 2.476 1.589 1.00 24.23 H new ATOM 0 HB2 TYR A 60 -0.527 4.968 1.554 1.00 61.12 H new ATOM 0 HB3 TYR A 60 0.352 4.991 3.070 1.00 61.12 H new ATOM 0 HD1 TYR A 60 0.662 3.454 -0.348 1.00 41.25 H new ATOM 0 HD2 TYR A 60 2.668 5.240 2.959 1.00 22.42 H new ATOM 0 HE1 TYR A 60 2.784 3.344 -1.578 1.00 64.34 H new ATOM 0 HE2 TYR A 60 4.792 5.132 1.731 1.00 13.53 H new ATOM 0 HH TYR A 60 5.822 4.546 -0.132 1.00 51.50 H new ATOM 984 N GLN A 61 0.328 2.299 4.703 1.00 44.35 N ATOM 985 CA GLN A 61 1.181 1.615 5.667 1.00 63.31 C ATOM 986 C GLN A 61 0.956 0.107 5.619 1.00 11.12 C ATOM 987 O GLN A 61 1.657 -0.656 6.283 1.00 60.24 O ATOM 988 CB GLN A 61 0.913 2.138 7.079 1.00 54.11 C ATOM 989 CG GLN A 61 -0.390 1.633 7.677 1.00 33.13 C ATOM 990 CD GLN A 61 -0.170 0.686 8.840 1.00 21.14 C ATOM 991 OE1 GLN A 61 -0.061 1.112 9.991 1.00 71.24 O ATOM 992 NE2 GLN A 61 -0.103 -0.607 8.547 1.00 60.33 N ATOM 0 H GLN A 61 -0.479 2.770 5.113 1.00 44.35 H new ATOM 0 HA GLN A 61 2.219 1.818 5.404 1.00 63.31 H new ATOM 0 HB2 GLN A 61 1.738 1.846 7.728 1.00 54.11 H new ATOM 0 HB3 GLN A 61 0.895 3.228 7.057 1.00 54.11 H new ATOM 0 HG2 GLN A 61 -0.985 2.483 8.013 1.00 33.13 H new ATOM 0 HG3 GLN A 61 -0.967 1.125 6.904 1.00 33.13 H new ATOM 0 HE21 GLN A 61 -0.199 -0.916 7.580 1.00 60.33 H new ATOM 0 HE22 GLN A 61 0.044 -1.291 9.289 1.00 60.33 H new ATOM 1001 N MET A 62 -0.027 -0.315 4.830 1.00 12.55 N ATOM 1002 CA MET A 62 -0.344 -1.732 4.696 1.00 11.40 C ATOM 1003 C MET A 62 0.611 -2.412 3.721 1.00 63.21 C ATOM 1004 O MET A 62 1.435 -3.237 4.118 1.00 51.44 O ATOM 1005 CB MET A 62 -1.788 -1.911 4.222 1.00 2.44 C ATOM 1006 CG MET A 62 -2.784 -1.033 4.964 1.00 64.44 C ATOM 1007 SD MET A 62 -2.857 -1.403 6.727 1.00 42.20 S ATOM 1008 CE MET A 62 -3.974 -2.803 6.733 1.00 1.15 C ATOM 0 H MET A 62 -0.617 0.304 4.274 1.00 12.55 H new ATOM 0 HA MET A 62 -0.230 -2.199 5.674 1.00 11.40 H new ATOM 0 HB2 MET A 62 -1.842 -1.688 3.156 1.00 2.44 H new ATOM 0 HB3 MET A 62 -2.075 -2.955 4.344 1.00 2.44 H new ATOM 0 HG2 MET A 62 -2.512 0.014 4.827 1.00 64.44 H new ATOM 0 HG3 MET A 62 -3.774 -1.165 4.528 1.00 64.44 H new ATOM 0 HE1 MET A 62 -4.120 -3.148 7.757 1.00 1.15 H new ATOM 0 HE2 MET A 62 -4.933 -2.505 6.310 1.00 1.15 H new ATOM 0 HE3 MET A 62 -3.549 -3.610 6.136 1.00 1.15 H new ATOM 1018 N SER A 63 0.495 -2.062 2.444 1.00 63.01 N ATOM 1019 CA SER A 63 1.346 -2.643 1.412 1.00 42.53 C ATOM 1020 C SER A 63 1.228 -4.164 1.403 1.00 44.43 C ATOM 1021 O SER A 63 2.139 -4.865 0.963 1.00 2.04 O ATOM 1022 CB SER A 63 2.804 -2.234 1.633 1.00 13.22 C ATOM 1023 OG SER A 63 2.902 -0.862 1.975 1.00 65.13 O ATOM 0 H SER A 63 -0.180 -1.379 2.099 1.00 63.01 H new ATOM 0 HA SER A 63 1.013 -2.265 0.446 1.00 42.53 H new ATOM 0 HB2 SER A 63 3.239 -2.842 2.426 1.00 13.22 H new ATOM 0 HB3 SER A 63 3.381 -2.429 0.729 1.00 13.22 H new ATOM 0 HG SER A 63 3.843 -0.626 2.113 1.00 65.13 H new ATOM 1029 N ALA A 64 0.099 -4.666 1.891 1.00 23.33 N ATOM 1030 CA ALA A 64 -0.140 -6.103 1.938 1.00 22.42 C ATOM 1031 C ALA A 64 -1.516 -6.412 2.519 1.00 65.42 C ATOM 1032 O ALA A 64 -1.666 -7.319 3.337 1.00 45.02 O ATOM 1033 CB ALA A 64 0.946 -6.793 2.752 1.00 54.33 C ATOM 0 H ALA A 64 -0.665 -4.099 2.259 1.00 23.33 H new ATOM 0 HA ALA A 64 -0.111 -6.484 0.917 1.00 22.42 H new ATOM 0 HB1 ALA A 64 0.755 -7.866 2.779 1.00 54.33 H new ATOM 0 HB2 ALA A 64 1.917 -6.609 2.293 1.00 54.33 H new ATOM 0 HB3 ALA A 64 0.945 -6.399 3.768 1.00 54.33 H new ATOM 1039 N GLY A 65 -2.518 -5.651 2.090 1.00 33.45 N ATOM 1040 CA GLY A 65 -3.869 -5.860 2.579 1.00 3.55 C ATOM 1041 C GLY A 65 -4.842 -6.200 1.468 1.00 3.02 C ATOM 1042 O GLY A 65 -5.015 -5.426 0.527 1.00 32.03 O ATOM 0 H GLY A 65 -2.419 -4.894 1.413 1.00 33.45 H new ATOM 0 HA2 GLY A 65 -3.866 -6.665 3.314 1.00 3.55 H new ATOM 0 HA3 GLY A 65 -4.209 -4.961 3.093 1.00 3.55 H new ATOM 1046 N ALA A 66 -5.477 -7.362 1.576 1.00 72.34 N ATOM 1047 CA ALA A 66 -6.438 -7.803 0.572 1.00 62.30 C ATOM 1048 C ALA A 66 -7.622 -6.847 0.488 1.00 53.50 C ATOM 1049 O ALA A 66 -8.169 -6.427 1.509 1.00 73.14 O ATOM 1050 CB ALA A 66 -6.917 -9.213 0.884 1.00 60.32 C ATOM 0 H ALA A 66 -5.344 -8.015 2.348 1.00 72.34 H new ATOM 0 HA ALA A 66 -5.938 -7.806 -0.397 1.00 62.30 H new ATOM 0 HB1 ALA A 66 -7.634 -9.530 0.127 1.00 60.32 H new ATOM 0 HB2 ALA A 66 -6.066 -9.894 0.886 1.00 60.32 H new ATOM 0 HB3 ALA A 66 -7.395 -9.227 1.864 1.00 60.32 H new ATOM 1056 N THR A 67 -8.014 -6.503 -0.735 1.00 74.31 N ATOM 1057 CA THR A 67 -9.133 -5.594 -0.952 1.00 62.43 C ATOM 1058 C THR A 67 -10.198 -6.235 -1.835 1.00 12.51 C ATOM 1059 O THR A 67 -9.883 -6.928 -2.802 1.00 21.20 O ATOM 1060 CB THR A 67 -8.668 -4.277 -1.602 1.00 31.15 C ATOM 1061 OG1 THR A 67 -7.289 -4.374 -1.974 1.00 60.42 O ATOM 1062 CG2 THR A 67 -8.860 -3.107 -0.648 1.00 61.04 C ATOM 0 H THR A 67 -7.573 -6.840 -1.591 1.00 74.31 H new ATOM 0 HA THR A 67 -9.559 -5.377 0.027 1.00 62.43 H new ATOM 0 HB THR A 67 -9.272 -4.103 -2.492 1.00 31.15 H new ATOM 0 HG1 THR A 67 -7.108 -5.270 -2.327 1.00 60.42 H new ATOM 0 HG21 THR A 67 -8.525 -2.187 -1.128 1.00 61.04 H new ATOM 0 HG22 THR A 67 -9.915 -3.018 -0.389 1.00 61.04 H new ATOM 0 HG23 THR A 67 -8.278 -3.277 0.258 1.00 61.04 H new ATOM 1070 N PHE A 68 -11.461 -5.997 -1.496 1.00 71.05 N ATOM 1071 CA PHE A 68 -12.574 -6.551 -2.259 1.00 20.13 C ATOM 1072 C PHE A 68 -13.586 -5.465 -2.611 1.00 40.14 C ATOM 1073 O PHE A 68 -14.246 -4.907 -1.734 1.00 71.21 O ATOM 1074 CB PHE A 68 -13.260 -7.664 -1.464 1.00 61.42 C ATOM 1075 CG PHE A 68 -14.638 -7.995 -1.962 1.00 40.50 C ATOM 1076 CD1 PHE A 68 -14.824 -8.512 -3.234 1.00 1.11 C ATOM 1077 CD2 PHE A 68 -15.747 -7.788 -1.158 1.00 73.11 C ATOM 1078 CE1 PHE A 68 -16.091 -8.816 -3.695 1.00 11.34 C ATOM 1079 CE2 PHE A 68 -17.017 -8.090 -1.613 1.00 60.43 C ATOM 1080 CZ PHE A 68 -17.189 -8.606 -2.883 1.00 2.11 C ATOM 0 H PHE A 68 -11.739 -5.425 -0.699 1.00 71.05 H new ATOM 0 HA PHE A 68 -12.176 -6.966 -3.185 1.00 20.13 H new ATOM 0 HB2 PHE A 68 -12.643 -8.561 -1.504 1.00 61.42 H new ATOM 0 HB3 PHE A 68 -13.322 -7.366 -0.417 1.00 61.42 H new ATOM 0 HD1 PHE A 68 -13.969 -8.679 -3.873 1.00 1.11 H new ATOM 0 HD2 PHE A 68 -15.618 -7.386 -0.164 1.00 73.11 H new ATOM 0 HE1 PHE A 68 -16.223 -9.217 -4.689 1.00 11.34 H new ATOM 0 HE2 PHE A 68 -17.873 -7.923 -0.977 1.00 60.43 H new ATOM 0 HZ PHE A 68 -18.180 -8.845 -3.240 1.00 2.11 H new ATOM 1090 N HIS A 69 -13.702 -5.169 -3.902 1.00 70.12 N ATOM 1091 CA HIS A 69 -14.633 -4.150 -4.372 1.00 53.41 C ATOM 1092 C HIS A 69 -15.986 -4.766 -4.716 1.00 22.32 C ATOM 1093 O HIS A 69 -16.058 -5.890 -5.212 1.00 71.01 O ATOM 1094 CB HIS A 69 -14.062 -3.431 -5.595 1.00 23.41 C ATOM 1095 CG HIS A 69 -12.941 -2.493 -5.269 1.00 0.14 C ATOM 1096 ND1 HIS A 69 -11.911 -2.819 -4.412 1.00 31.52 N ATOM 1097 CD2 HIS A 69 -12.691 -1.231 -5.691 1.00 72.52 C ATOM 1098 CE1 HIS A 69 -11.077 -1.799 -4.320 1.00 53.10 C ATOM 1099 NE2 HIS A 69 -11.528 -0.823 -5.087 1.00 44.42 N ATOM 0 H HIS A 69 -13.163 -5.621 -4.641 1.00 70.12 H new ATOM 0 HA HIS A 69 -14.776 -3.427 -3.569 1.00 53.41 H new ATOM 0 HB2 HIS A 69 -13.707 -4.173 -6.310 1.00 23.41 H new ATOM 0 HB3 HIS A 69 -14.861 -2.873 -6.084 1.00 23.41 H new ATOM 0 HD2 HIS A 69 -13.294 -0.653 -6.375 1.00 72.52 H new ATOM 0 HE1 HIS A 69 -10.180 -1.768 -3.720 1.00 53.10 H new ATOM 0 HE2 HIS A 69 -11.084 0.087 -5.211 1.00 44.42 H new ATOM 1107 N MET A 70 -17.055 -4.023 -4.448 1.00 23.54 N ATOM 1108 CA MET A 70 -18.405 -4.498 -4.729 1.00 43.21 C ATOM 1109 C MET A 70 -19.181 -3.472 -5.548 1.00 75.14 C ATOM 1110 O MET A 70 -19.253 -2.298 -5.185 1.00 43.02 O ATOM 1111 CB MET A 70 -19.147 -4.793 -3.424 1.00 61.44 C ATOM 1112 CG MET A 70 -20.584 -5.245 -3.631 1.00 44.43 C ATOM 1113 SD MET A 70 -20.981 -6.742 -2.708 1.00 54.43 S ATOM 1114 CE MET A 70 -21.867 -6.053 -1.312 1.00 74.12 C ATOM 0 H MET A 70 -17.013 -3.090 -4.037 1.00 23.54 H new ATOM 0 HA MET A 70 -18.327 -5.417 -5.309 1.00 43.21 H new ATOM 0 HB2 MET A 70 -18.607 -5.565 -2.875 1.00 61.44 H new ATOM 0 HB3 MET A 70 -19.142 -3.898 -2.802 1.00 61.44 H new ATOM 0 HG2 MET A 70 -21.260 -4.445 -3.327 1.00 44.43 H new ATOM 0 HG3 MET A 70 -20.756 -5.421 -4.693 1.00 44.43 H new ATOM 0 HE1 MET A 70 -22.180 -6.858 -0.647 1.00 74.12 H new ATOM 0 HE2 MET A 70 -21.216 -5.367 -0.771 1.00 74.12 H new ATOM 0 HE3 MET A 70 -22.745 -5.515 -1.668 1.00 74.12 H new ATOM 1124 N VAL A 71 -19.762 -3.923 -6.656 1.00 13.11 N ATOM 1125 CA VAL A 71 -20.535 -3.044 -7.526 1.00 64.32 C ATOM 1126 C VAL A 71 -21.857 -3.690 -7.925 1.00 41.21 C ATOM 1127 O VAL A 71 -21.883 -4.661 -8.681 1.00 40.13 O ATOM 1128 CB VAL A 71 -19.748 -2.683 -8.800 1.00 5.21 C ATOM 1129 CG1 VAL A 71 -20.556 -1.740 -9.678 1.00 11.22 C ATOM 1130 CG2 VAL A 71 -18.404 -2.068 -8.439 1.00 1.33 C ATOM 0 H VAL A 71 -19.712 -4.892 -6.972 1.00 13.11 H new ATOM 0 HA VAL A 71 -20.735 -2.134 -6.960 1.00 64.32 H new ATOM 0 HB VAL A 71 -19.564 -3.598 -9.364 1.00 5.21 H new ATOM 0 HG11 VAL A 71 -19.984 -1.496 -10.573 1.00 11.22 H new ATOM 0 HG12 VAL A 71 -21.491 -2.221 -9.965 1.00 11.22 H new ATOM 0 HG13 VAL A 71 -20.773 -0.826 -9.126 1.00 11.22 H new ATOM 0 HG21 VAL A 71 -17.861 -1.819 -9.351 1.00 1.33 H new ATOM 0 HG22 VAL A 71 -18.564 -1.163 -7.853 1.00 1.33 H new ATOM 0 HG23 VAL A 71 -17.823 -2.781 -7.854 1.00 1.33 H new ATOM 1140 N VAL A 72 -22.955 -3.143 -7.412 1.00 25.21 N ATOM 1141 CA VAL A 72 -24.282 -3.664 -7.716 1.00 21.43 C ATOM 1142 C VAL A 72 -25.057 -2.705 -8.612 1.00 61.43 C ATOM 1143 O VAL A 72 -25.486 -1.639 -8.173 1.00 42.34 O ATOM 1144 CB VAL A 72 -25.093 -3.917 -6.431 1.00 30.40 C ATOM 1145 CG1 VAL A 72 -25.074 -2.688 -5.536 1.00 44.41 C ATOM 1146 CG2 VAL A 72 -26.521 -4.316 -6.773 1.00 2.23 C ATOM 0 H VAL A 72 -22.951 -2.339 -6.784 1.00 25.21 H new ATOM 0 HA VAL A 72 -24.139 -4.610 -8.239 1.00 21.43 H new ATOM 0 HB VAL A 72 -24.630 -4.740 -5.886 1.00 30.40 H new ATOM 0 HG11 VAL A 72 -25.652 -2.886 -4.633 1.00 44.41 H new ATOM 0 HG12 VAL A 72 -24.045 -2.452 -5.263 1.00 44.41 H new ATOM 0 HG13 VAL A 72 -25.511 -1.843 -6.069 1.00 44.41 H new ATOM 0 HG21 VAL A 72 -27.080 -4.491 -5.854 1.00 2.23 H new ATOM 0 HG22 VAL A 72 -26.996 -3.516 -7.340 1.00 2.23 H new ATOM 0 HG23 VAL A 72 -26.511 -5.228 -7.371 1.00 2.23 H new ATOM 1156 N ALA A 73 -25.233 -3.093 -9.871 1.00 71.03 N ATOM 1157 CA ALA A 73 -25.959 -2.269 -10.830 1.00 1.02 C ATOM 1158 C ALA A 73 -27.102 -3.049 -11.470 1.00 31.31 C ATOM 1159 O ALA A 73 -26.946 -3.630 -12.545 1.00 24.02 O ATOM 1160 CB ALA A 73 -25.012 -1.745 -11.899 1.00 3.52 C ATOM 0 H ALA A 73 -24.883 -3.973 -10.251 1.00 71.03 H new ATOM 0 HA ALA A 73 -26.387 -1.423 -10.293 1.00 1.02 H new ATOM 0 HB1 ALA A 73 -25.568 -1.131 -12.608 1.00 3.52 H new ATOM 0 HB2 ALA A 73 -24.233 -1.143 -11.431 1.00 3.52 H new ATOM 0 HB3 ALA A 73 -24.556 -2.584 -12.424 1.00 3.52 H new ATOM 1166 N LEU A 74 -28.251 -3.060 -10.803 1.00 50.33 N ATOM 1167 CA LEU A 74 -29.421 -3.770 -11.307 1.00 55.11 C ATOM 1168 C LEU A 74 -30.494 -2.790 -11.772 1.00 72.54 C ATOM 1169 O LEU A 74 -31.246 -3.075 -12.705 1.00 11.12 O ATOM 1170 CB LEU A 74 -29.989 -4.690 -10.225 1.00 14.42 C ATOM 1171 CG LEU A 74 -29.492 -6.135 -10.244 1.00 21.43 C ATOM 1172 CD1 LEU A 74 -28.196 -6.264 -9.459 1.00 22.23 C ATOM 1173 CD2 LEU A 74 -30.552 -7.072 -9.683 1.00 55.30 C ATOM 0 H LEU A 74 -28.397 -2.585 -9.912 1.00 50.33 H new ATOM 0 HA LEU A 74 -29.110 -4.372 -12.161 1.00 55.11 H new ATOM 0 HB2 LEU A 74 -29.756 -4.259 -9.251 1.00 14.42 H new ATOM 0 HB3 LEU A 74 -31.075 -4.699 -10.318 1.00 14.42 H new ATOM 0 HG LEU A 74 -29.297 -6.418 -11.278 1.00 21.43 H new ATOM 0 HD11 LEU A 74 -27.857 -7.300 -9.484 1.00 22.23 H new ATOM 0 HD12 LEU A 74 -27.435 -5.623 -9.904 1.00 22.23 H new ATOM 0 HD13 LEU A 74 -28.365 -5.962 -8.425 1.00 22.23 H new ATOM 0 HD21 LEU A 74 -30.180 -8.096 -9.705 1.00 55.30 H new ATOM 0 HD22 LEU A 74 -30.780 -6.790 -8.655 1.00 55.30 H new ATOM 0 HD23 LEU A 74 -31.456 -7.001 -10.287 1.00 55.30 H new ATOM 1185 N ARG A 75 -30.557 -1.635 -11.118 1.00 75.41 N ATOM 1186 CA ARG A 75 -31.537 -0.613 -11.465 1.00 73.25 C ATOM 1187 C ARG A 75 -31.263 -0.047 -12.855 1.00 45.25 C ATOM 1188 O ARG A 75 -30.310 -0.448 -13.523 1.00 23.21 O ATOM 1189 CB ARG A 75 -31.519 0.514 -10.431 1.00 62.31 C ATOM 1190 CG ARG A 75 -31.772 0.040 -9.009 1.00 74.44 C ATOM 1191 CD ARG A 75 -31.032 0.898 -7.996 1.00 14.14 C ATOM 1192 NE ARG A 75 -31.622 2.228 -7.870 1.00 51.35 N ATOM 1193 CZ ARG A 75 -32.796 2.461 -7.293 1.00 24.41 C ATOM 1194 NH1 ARG A 75 -33.501 1.457 -6.790 1.00 23.14 N ATOM 1195 NH2 ARG A 75 -33.266 3.699 -7.217 1.00 44.14 N ATOM 0 H ARG A 75 -29.941 -1.384 -10.345 1.00 75.41 H new ATOM 0 HA ARG A 75 -32.523 -1.077 -11.468 1.00 73.25 H new ATOM 0 HB2 ARG A 75 -30.553 1.017 -10.471 1.00 62.31 H new ATOM 0 HB3 ARG A 75 -32.274 1.253 -10.698 1.00 62.31 H new ATOM 0 HG2 ARG A 75 -32.841 0.069 -8.800 1.00 74.44 H new ATOM 0 HG3 ARG A 75 -31.455 -0.998 -8.909 1.00 74.44 H new ATOM 0 HD2 ARG A 75 -31.043 0.403 -7.025 1.00 14.14 H new ATOM 0 HD3 ARG A 75 -29.988 0.991 -8.294 1.00 14.14 H new ATOM 0 HE ARG A 75 -31.104 3.022 -8.246 1.00 51.35 H new ATOM 0 HH11 ARG A 75 -33.142 0.504 -6.846 1.00 23.14 H new ATOM 0 HH12 ARG A 75 -34.402 1.638 -6.347 1.00 23.14 H new ATOM 0 HH21 ARG A 75 -32.726 4.474 -7.602 1.00 44.14 H new ATOM 0 HH22 ARG A 75 -34.167 3.876 -6.774 1.00 44.14 H new ATOM 1209 N ALA A 76 -32.104 0.888 -13.285 1.00 73.40 N ATOM 1210 CA ALA A 76 -31.951 1.510 -14.594 1.00 74.02 C ATOM 1211 C ALA A 76 -30.680 2.350 -14.658 1.00 32.23 C ATOM 1212 O ALA A 76 -29.857 2.317 -13.744 1.00 43.13 O ATOM 1213 CB ALA A 76 -33.168 2.365 -14.917 1.00 62.03 C ATOM 0 H ALA A 76 -32.899 1.231 -12.745 1.00 73.40 H new ATOM 0 HA ALA A 76 -31.869 0.718 -15.338 1.00 74.02 H new ATOM 0 HB1 ALA A 76 -33.041 2.824 -15.898 1.00 62.03 H new ATOM 0 HB2 ALA A 76 -34.061 1.740 -14.922 1.00 62.03 H new ATOM 0 HB3 ALA A 76 -33.275 3.145 -14.163 1.00 62.03 H new ATOM 1219 N GLY A 77 -30.527 3.102 -15.744 1.00 24.35 N ATOM 1220 CA GLY A 77 -29.352 3.939 -15.906 1.00 73.11 C ATOM 1221 C GLY A 77 -28.761 3.844 -17.299 1.00 10.24 C ATOM 1222 O GLY A 77 -27.758 3.162 -17.509 1.00 63.41 O ATOM 0 H GLY A 77 -31.195 3.147 -16.514 1.00 24.35 H new ATOM 0 HA2 GLY A 77 -29.616 4.976 -15.697 1.00 73.11 H new ATOM 0 HA3 GLY A 77 -28.598 3.648 -15.174 1.00 73.11 H new ATOM 1226 N CYS A 78 -29.384 4.528 -18.252 1.00 2.54 N ATOM 1227 CA CYS A 78 -28.914 4.517 -19.633 1.00 33.44 C ATOM 1228 C CYS A 78 -28.889 3.096 -20.186 1.00 74.42 C ATOM 1229 O CYS A 78 -29.573 2.208 -19.676 1.00 43.43 O ATOM 1230 CB CYS A 78 -27.519 5.137 -19.724 1.00 55.13 C ATOM 1231 SG CYS A 78 -27.252 6.137 -21.207 1.00 72.42 S ATOM 0 H CYS A 78 -30.216 5.097 -18.094 1.00 2.54 H new ATOM 0 HA CYS A 78 -29.606 5.109 -20.232 1.00 33.44 H new ATOM 0 HB2 CYS A 78 -27.351 5.758 -18.844 1.00 55.13 H new ATOM 0 HB3 CYS A 78 -26.776 4.340 -19.698 1.00 55.13 H new ATOM 0 HG CYS A 78 -26.045 6.620 -21.193 1.00 72.42 H new TER 1237 CYS A 78