USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.41 (180deg=0.729) USER MOD Single : A 2 MET CE :methyl 164:sc= -0.0688 (180deg=-0.403) USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= 0.879 (180deg=0.428) USER MOD Single : A 12 SER OG : rot 40:sc= 0.153 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 104:sc= 1.27 USER MOD Single : A 21 MET CE :methyl 147:sc= -1.16 (180deg=-2.29) USER MOD Single : A 22 THR OG1 : rot -82:sc= 1.21 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.003) USER MOD Single : A 31 THR OG1 : rot -130:sc= -0.0656 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.05) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00298 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc=-0.00927 (180deg=-0.132) USER MOD Single : A 58 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.1) USER MOD Single : A 69 SER OG : rot -62:sc= 1.2 USER MOD Single : A 72 SER OG : rot -84:sc= 1.29 USER MOD Single : A 77 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0933) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= -0.147 (180deg=-0.517) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.451 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.59) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.0029) USER MOD Single : A 101 HIS : no HE2:sc= 0.0686 K(o=0.069,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.807 16.132 -23.798 1.00 0.00 N ATOM 2 CA MET A 1 0.459 16.900 -23.775 1.00 0.00 C ATOM 3 C MET A 1 1.335 16.438 -22.622 1.00 0.00 C ATOM 4 O MET A 1 0.842 15.883 -21.640 1.00 0.00 O ATOM 5 CB MET A 1 0.191 18.405 -23.616 1.00 0.00 C ATOM 6 CG MET A 1 -0.358 19.090 -24.859 1.00 0.00 C ATOM 7 SD MET A 1 -2.009 18.529 -25.312 1.00 0.00 S ATOM 8 CE MET A 1 -2.324 19.551 -26.750 1.00 0.00 C ATOM 0 H1 MET A 1 -1.545 16.693 -24.270 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.664 15.242 -24.316 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.103 15.921 -22.824 1.00 0.00 H new ATOM 0 HA MET A 1 0.967 16.724 -24.724 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.514 18.550 -22.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.120 18.897 -23.328 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.381 20.167 -24.692 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.320 18.911 -25.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.312 19.322 -27.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.282 20.602 -26.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.570 19.351 -27.511 1.00 0.00 H new ATOM 20 N MET A 2 2.633 16.684 -22.742 1.00 0.00 N ATOM 21 CA MET A 2 3.576 16.378 -21.673 1.00 0.00 C ATOM 22 C MET A 2 3.807 17.616 -20.816 1.00 0.00 C ATOM 23 O MET A 2 4.724 17.655 -19.989 1.00 0.00 O ATOM 24 CB MET A 2 4.908 15.895 -22.255 1.00 0.00 C ATOM 25 CG MET A 2 5.642 16.955 -23.065 1.00 0.00 C ATOM 26 SD MET A 2 7.240 16.385 -23.686 1.00 0.00 S ATOM 27 CE MET A 2 6.727 15.083 -24.807 1.00 0.00 C ATOM 0 H MET A 2 3.059 17.096 -23.572 1.00 0.00 H new ATOM 0 HA MET A 2 3.156 15.584 -21.055 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.551 15.563 -21.440 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.724 15.028 -22.890 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.019 17.259 -23.906 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.793 17.839 -22.445 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.553 14.829 -25.472 1.00 0.00 H new ATOM 0 HE2 MET A 2 6.438 14.202 -24.234 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.878 15.426 -25.398 1.00 0.00 H new ATOM 37 N PHE A 3 2.947 18.613 -21.023 1.00 0.00 N ATOM 38 CA PHE A 3 3.067 19.922 -20.386 1.00 0.00 C ATOM 39 C PHE A 3 4.309 20.646 -20.894 1.00 0.00 C ATOM 40 O PHE A 3 4.223 21.497 -21.779 1.00 0.00 O ATOM 41 CB PHE A 3 3.098 19.806 -18.854 1.00 0.00 C ATOM 42 CG PHE A 3 1.841 19.239 -18.255 1.00 0.00 C ATOM 43 CD1 PHE A 3 0.753 20.056 -17.991 1.00 0.00 C ATOM 44 CD2 PHE A 3 1.748 17.888 -17.959 1.00 0.00 C ATOM 45 CE1 PHE A 3 -0.403 19.535 -17.441 1.00 0.00 C ATOM 46 CE2 PHE A 3 0.595 17.363 -17.406 1.00 0.00 C ATOM 47 CZ PHE A 3 -0.482 18.186 -17.149 1.00 0.00 C ATOM 0 H PHE A 3 2.141 18.533 -21.643 1.00 0.00 H new ATOM 0 HA PHE A 3 2.185 20.504 -20.653 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.941 19.178 -18.565 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.276 20.794 -18.429 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.809 21.111 -18.217 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.586 17.238 -18.163 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.244 20.182 -17.239 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.537 16.309 -17.175 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.385 17.777 -16.721 1.00 0.00 H new ATOM 57 N LEU A 4 5.457 20.275 -20.345 1.00 0.00 N ATOM 58 CA LEU A 4 6.740 20.854 -20.720 1.00 0.00 C ATOM 59 C LEU A 4 7.841 20.216 -19.881 1.00 0.00 C ATOM 60 O LEU A 4 8.918 19.887 -20.381 1.00 0.00 O ATOM 61 CB LEU A 4 6.735 22.372 -20.499 1.00 0.00 C ATOM 62 CG LEU A 4 7.975 23.115 -21.003 1.00 0.00 C ATOM 63 CD1 LEU A 4 8.125 22.955 -22.509 1.00 0.00 C ATOM 64 CD2 LEU A 4 7.901 24.587 -20.625 1.00 0.00 C ATOM 0 H LEU A 4 5.525 19.559 -19.622 1.00 0.00 H new ATOM 0 HA LEU A 4 6.920 20.661 -21.778 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.857 22.790 -20.991 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.625 22.566 -19.432 1.00 0.00 H new ATOM 0 HG LEU A 4 8.853 22.679 -20.527 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.013 23.491 -22.845 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.225 21.898 -22.754 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.245 23.362 -23.008 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.790 25.102 -20.990 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.013 25.034 -21.073 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.847 24.682 -19.540 1.00 0.00 H new ATOM 76 N ARG A 5 7.536 20.036 -18.604 1.00 0.00 N ATOM 77 CA ARG A 5 8.472 19.469 -17.644 1.00 0.00 C ATOM 78 C ARG A 5 8.423 17.939 -17.671 1.00 0.00 C ATOM 79 O ARG A 5 9.380 17.273 -17.269 1.00 0.00 O ATOM 80 CB ARG A 5 8.115 19.987 -16.250 1.00 0.00 C ATOM 81 CG ARG A 5 9.068 19.567 -15.150 1.00 0.00 C ATOM 82 CD ARG A 5 8.575 20.052 -13.798 1.00 0.00 C ATOM 83 NE ARG A 5 8.486 21.512 -13.727 1.00 0.00 N ATOM 84 CZ ARG A 5 7.364 22.180 -13.453 1.00 0.00 C ATOM 85 NH1 ARG A 5 6.211 21.531 -13.316 1.00 0.00 N ATOM 86 NH2 ARG A 5 7.392 23.501 -13.344 1.00 0.00 N ATOM 0 H ARG A 5 6.630 20.280 -18.203 1.00 0.00 H new ATOM 0 HA ARG A 5 9.486 19.772 -17.906 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.077 21.076 -16.282 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.114 19.640 -15.995 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.163 18.481 -15.140 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.060 19.972 -15.347 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.595 19.621 -13.596 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.248 19.693 -13.019 1.00 0.00 H new ATOM 0 HE ARG A 5 9.334 22.052 -13.898 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.181 20.517 -13.420 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.357 22.048 -13.107 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.270 24.005 -13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.535 24.014 -13.135 1.00 0.00 H new ATOM 100 N LYS A 6 7.305 17.404 -18.172 1.00 0.00 N ATOM 101 CA LYS A 6 7.052 15.957 -18.218 1.00 0.00 C ATOM 102 C LYS A 6 6.801 15.387 -16.825 1.00 0.00 C ATOM 103 O LYS A 6 7.553 15.642 -15.883 1.00 0.00 O ATOM 104 CB LYS A 6 8.205 15.188 -18.869 1.00 0.00 C ATOM 105 CG LYS A 6 8.394 15.455 -20.352 1.00 0.00 C ATOM 106 CD LYS A 6 9.494 14.570 -20.918 1.00 0.00 C ATOM 107 CE LYS A 6 9.140 13.094 -20.779 1.00 0.00 C ATOM 108 NZ LYS A 6 10.320 12.204 -20.954 1.00 0.00 N ATOM 0 H LYS A 6 6.545 17.964 -18.559 1.00 0.00 H new ATOM 0 HA LYS A 6 6.158 15.829 -18.828 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.129 15.439 -18.349 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.038 14.121 -18.725 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.460 15.269 -20.883 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.646 16.504 -20.509 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.654 14.811 -21.969 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.431 14.773 -20.399 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.701 12.920 -19.797 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.381 12.835 -21.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.004 11.271 -21.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.968 12.620 -21.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.813 12.099 -20.045 1.00 0.00 H new ATOM 122 N VAL A 7 5.742 14.601 -16.701 1.00 0.00 N ATOM 123 CA VAL A 7 5.435 13.938 -15.445 1.00 0.00 C ATOM 124 C VAL A 7 5.959 12.506 -15.479 1.00 0.00 C ATOM 125 O VAL A 7 5.259 11.582 -15.891 1.00 0.00 O ATOM 126 CB VAL A 7 3.915 13.937 -15.153 1.00 0.00 C ATOM 127 CG1 VAL A 7 3.624 13.378 -13.767 1.00 0.00 C ATOM 128 CG2 VAL A 7 3.338 15.341 -15.299 1.00 0.00 C ATOM 0 H VAL A 7 5.082 14.408 -17.454 1.00 0.00 H new ATOM 0 HA VAL A 7 5.925 14.492 -14.644 1.00 0.00 H new ATOM 0 HB VAL A 7 3.433 13.289 -15.885 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.549 13.389 -13.589 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.992 12.354 -13.703 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.123 13.990 -13.016 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.269 15.318 -15.090 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.831 16.012 -14.596 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.501 15.697 -16.316 1.00 0.00 H new ATOM 138 N GLU A 8 7.220 12.347 -15.103 1.00 0.00 N ATOM 139 CA GLU A 8 7.863 11.036 -15.088 1.00 0.00 C ATOM 140 C GLU A 8 8.479 10.768 -13.718 1.00 0.00 C ATOM 141 O GLU A 8 9.178 9.774 -13.510 1.00 0.00 O ATOM 142 CB GLU A 8 8.939 10.967 -16.177 1.00 0.00 C ATOM 143 CG GLU A 8 9.973 12.077 -16.084 1.00 0.00 C ATOM 144 CD GLU A 8 11.040 11.968 -17.151 1.00 0.00 C ATOM 145 OE1 GLU A 8 12.051 11.279 -16.917 1.00 0.00 O ATOM 146 OE2 GLU A 8 10.878 12.577 -18.228 1.00 0.00 O ATOM 0 H GLU A 8 7.823 13.113 -14.802 1.00 0.00 H new ATOM 0 HA GLU A 8 7.112 10.272 -15.288 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.446 10.004 -16.114 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.458 11.011 -17.154 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.474 13.042 -16.172 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.443 12.049 -15.101 1.00 0.00 H new ATOM 153 N GLY A 9 8.185 11.658 -12.785 1.00 0.00 N ATOM 154 CA GLY A 9 8.760 11.583 -11.457 1.00 0.00 C ATOM 155 C GLY A 9 7.878 12.257 -10.421 1.00 0.00 C ATOM 156 O GLY A 9 7.412 11.600 -9.489 1.00 0.00 O ATOM 0 H GLY A 9 7.549 12.443 -12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.908 10.538 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.743 12.054 -11.459 1.00 0.00 H new ATOM 160 N PRO A 10 7.636 13.578 -10.562 1.00 0.00 N ATOM 161 CA PRO A 10 6.780 14.352 -9.654 1.00 0.00 C ATOM 162 C PRO A 10 5.435 13.698 -9.361 1.00 0.00 C ATOM 163 O PRO A 10 4.536 13.703 -10.203 1.00 0.00 O ATOM 164 CB PRO A 10 6.546 15.668 -10.393 1.00 0.00 C ATOM 165 CG PRO A 10 7.175 15.513 -11.742 1.00 0.00 C ATOM 166 CD PRO A 10 8.213 14.445 -11.597 1.00 0.00 C ATOM 0 HA PRO A 10 7.264 14.453 -8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.480 15.878 -10.483 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.991 16.502 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.431 15.235 -12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.624 16.450 -12.073 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.376 13.908 -12.531 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.176 14.854 -11.293 1.00 0.00 H new ATOM 174 N ARG A 11 5.321 13.139 -8.156 1.00 0.00 N ATOM 175 CA ARG A 11 4.091 12.505 -7.673 1.00 0.00 C ATOM 176 C ARG A 11 3.707 11.309 -8.538 1.00 0.00 C ATOM 177 O ARG A 11 2.633 10.728 -8.373 1.00 0.00 O ATOM 178 CB ARG A 11 2.930 13.508 -7.618 1.00 0.00 C ATOM 179 CG ARG A 11 3.181 14.694 -6.696 1.00 0.00 C ATOM 180 CD ARG A 11 3.335 15.989 -7.481 1.00 0.00 C ATOM 181 NE ARG A 11 2.107 16.355 -8.188 1.00 0.00 N ATOM 182 CZ ARG A 11 2.080 16.987 -9.362 1.00 0.00 C ATOM 183 NH1 ARG A 11 3.215 17.357 -9.949 1.00 0.00 N ATOM 184 NH2 ARG A 11 0.920 17.275 -9.936 1.00 0.00 N ATOM 0 H ARG A 11 6.085 13.113 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 11 4.289 12.151 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.735 13.878 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.030 12.989 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.354 14.790 -5.992 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.081 14.515 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.614 16.793 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.148 15.882 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 11 1.216 16.111 -7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.109 17.157 -9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.191 17.840 -10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.046 17.013 -9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.901 17.758 -10.834 1.00 0.00 H new ATOM 198 N SER A 12 4.589 10.944 -9.452 1.00 0.00 N ATOM 199 CA SER A 12 4.343 9.816 -10.332 1.00 0.00 C ATOM 200 C SER A 12 5.398 8.729 -10.143 1.00 0.00 C ATOM 201 O SER A 12 6.573 8.928 -10.462 1.00 0.00 O ATOM 202 CB SER A 12 4.321 10.296 -11.783 1.00 0.00 C ATOM 203 OG SER A 12 5.515 10.985 -12.111 1.00 0.00 O ATOM 0 H SER A 12 5.482 11.413 -9.604 1.00 0.00 H new ATOM 0 HA SER A 12 3.375 9.382 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.195 9.443 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.464 10.952 -11.939 1.00 0.00 H new ATOM 0 HG SER A 12 6.280 10.526 -11.705 1.00 0.00 H new ATOM 209 N VAL A 13 4.981 7.583 -9.626 1.00 0.00 N ATOM 210 CA VAL A 13 5.891 6.463 -9.431 1.00 0.00 C ATOM 211 C VAL A 13 5.666 5.402 -10.500 1.00 0.00 C ATOM 212 O VAL A 13 4.525 5.089 -10.851 1.00 0.00 O ATOM 213 CB VAL A 13 5.745 5.815 -8.028 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.188 6.775 -6.935 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.317 5.352 -7.780 1.00 0.00 C ATOM 0 H VAL A 13 4.020 7.404 -9.334 1.00 0.00 H new ATOM 0 HA VAL A 13 6.901 6.865 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 13 6.395 4.940 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.075 6.296 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.233 7.044 -7.088 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.573 7.674 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.247 4.903 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.642 6.206 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.037 4.615 -8.533 1.00 0.00 H new ATOM 225 N THR A 14 6.750 4.876 -11.039 1.00 0.00 N ATOM 226 CA THR A 14 6.657 3.774 -11.976 1.00 0.00 C ATOM 227 C THR A 14 6.910 2.459 -11.247 1.00 0.00 C ATOM 228 O THR A 14 8.036 2.164 -10.846 1.00 0.00 O ATOM 229 CB THR A 14 7.656 3.925 -13.138 1.00 0.00 C ATOM 230 OG1 THR A 14 7.498 5.215 -13.753 1.00 0.00 O ATOM 231 CG2 THR A 14 7.440 2.830 -14.178 1.00 0.00 C ATOM 0 H THR A 14 7.700 5.192 -10.845 1.00 0.00 H new ATOM 0 HA THR A 14 5.652 3.779 -12.399 1.00 0.00 H new ATOM 0 HB THR A 14 8.667 3.834 -12.740 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.137 5.306 -14.490 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.155 2.954 -14.991 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.583 1.854 -13.714 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.426 2.898 -14.573 1.00 0.00 H new ATOM 239 N LEU A 15 5.852 1.691 -11.059 1.00 0.00 N ATOM 240 CA LEU A 15 5.938 0.431 -10.339 1.00 0.00 C ATOM 241 C LEU A 15 6.683 -0.608 -11.171 1.00 0.00 C ATOM 242 O LEU A 15 6.765 -0.484 -12.394 1.00 0.00 O ATOM 243 CB LEU A 15 4.530 -0.077 -10.021 1.00 0.00 C ATOM 244 CG LEU A 15 3.645 0.888 -9.231 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.256 0.306 -9.057 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.261 1.196 -7.874 1.00 0.00 C ATOM 0 H LEU A 15 4.917 1.919 -11.397 1.00 0.00 H new ATOM 0 HA LEU A 15 6.485 0.594 -9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.029 -0.317 -10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.616 -1.007 -9.458 1.00 0.00 H new ATOM 0 HG LEU A 15 3.568 1.819 -9.792 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.637 1.004 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.808 0.134 -10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.322 -0.639 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.615 1.884 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.369 0.272 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.241 1.652 -8.014 1.00 0.00 H new ATOM 258 N PRO A 16 7.233 -1.653 -10.523 1.00 0.00 N ATOM 259 CA PRO A 16 7.819 -2.805 -11.223 1.00 0.00 C ATOM 260 C PRO A 16 6.737 -3.601 -11.947 1.00 0.00 C ATOM 261 O PRO A 16 7.003 -4.591 -12.628 1.00 0.00 O ATOM 262 CB PRO A 16 8.444 -3.644 -10.099 1.00 0.00 C ATOM 263 CG PRO A 16 8.500 -2.739 -8.912 1.00 0.00 C ATOM 264 CD PRO A 16 7.352 -1.788 -9.064 1.00 0.00 C ATOM 0 HA PRO A 16 8.544 -2.511 -11.982 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.844 -4.530 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.439 -3.992 -10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.417 -3.306 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.448 -2.203 -8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.439 -2.182 -8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.554 -0.830 -8.584 1.00 0.00 H new ATOM 272 N ASP A 17 5.507 -3.156 -11.756 1.00 0.00 N ATOM 273 CA ASP A 17 4.348 -3.701 -12.440 1.00 0.00 C ATOM 274 C ASP A 17 4.387 -3.326 -13.916 1.00 0.00 C ATOM 275 O ASP A 17 4.108 -4.143 -14.795 1.00 0.00 O ATOM 276 CB ASP A 17 3.085 -3.133 -11.786 1.00 0.00 C ATOM 277 CG ASP A 17 1.804 -3.511 -12.502 1.00 0.00 C ATOM 278 OD1 ASP A 17 1.529 -2.944 -13.581 1.00 0.00 O ATOM 279 OD2 ASP A 17 1.053 -4.346 -11.962 1.00 0.00 O ATOM 0 H ASP A 17 5.283 -2.396 -11.113 1.00 0.00 H new ATOM 0 HA ASP A 17 4.349 -4.788 -12.362 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.031 -3.484 -10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.163 -2.046 -11.749 1.00 0.00 H new ATOM 284 N GLY A 18 4.771 -2.086 -14.172 1.00 0.00 N ATOM 285 CA GLY A 18 4.695 -1.539 -15.508 1.00 0.00 C ATOM 286 C GLY A 18 3.723 -0.386 -15.554 1.00 0.00 C ATOM 287 O GLY A 18 3.873 0.547 -16.344 1.00 0.00 O ATOM 0 H GLY A 18 5.138 -1.443 -13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.682 -1.203 -15.826 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.382 -2.314 -16.207 1.00 0.00 H new ATOM 291 N SER A 19 2.717 -0.456 -14.694 1.00 0.00 N ATOM 292 CA SER A 19 1.750 0.614 -14.560 1.00 0.00 C ATOM 293 C SER A 19 2.325 1.737 -13.701 1.00 0.00 C ATOM 294 O SER A 19 3.097 1.489 -12.770 1.00 0.00 O ATOM 295 CB SER A 19 0.468 0.069 -13.930 1.00 0.00 C ATOM 296 OG SER A 19 0.046 -1.118 -14.584 1.00 0.00 O ATOM 0 H SER A 19 2.552 -1.251 -14.076 1.00 0.00 H new ATOM 0 HA SER A 19 1.520 1.016 -15.547 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.636 -0.134 -12.872 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.319 0.821 -13.989 1.00 0.00 H new ATOM 0 HG SER A 19 0.264 -1.894 -14.026 1.00 0.00 H new ATOM 302 N ILE A 20 1.962 2.969 -14.020 1.00 0.00 N ATOM 303 CA ILE A 20 2.394 4.113 -13.234 1.00 0.00 C ATOM 304 C ILE A 20 1.281 4.556 -12.299 1.00 0.00 C ATOM 305 O ILE A 20 0.100 4.402 -12.612 1.00 0.00 O ATOM 306 CB ILE A 20 2.826 5.301 -14.126 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.730 5.645 -15.141 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.135 4.984 -14.829 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.052 6.846 -16.007 1.00 0.00 C ATOM 0 H ILE A 20 1.370 3.202 -14.817 1.00 0.00 H new ATOM 0 HA ILE A 20 3.261 3.798 -12.654 1.00 0.00 H new ATOM 0 HB ILE A 20 2.980 6.173 -13.490 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.559 4.781 -15.783 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.799 5.834 -14.606 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.427 5.829 -15.453 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.911 4.796 -14.086 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.008 4.099 -15.453 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.230 7.026 -16.699 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.193 7.723 -15.375 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.965 6.654 -16.571 1.00 0.00 H new ATOM 321 N MET A 21 1.652 5.078 -11.145 1.00 0.00 N ATOM 322 CA MET A 21 0.669 5.564 -10.193 1.00 0.00 C ATOM 323 C MET A 21 0.989 6.983 -9.771 1.00 0.00 C ATOM 324 O MET A 21 2.075 7.265 -9.268 1.00 0.00 O ATOM 325 CB MET A 21 0.590 4.661 -8.960 1.00 0.00 C ATOM 326 CG MET A 21 -0.079 3.321 -9.224 1.00 0.00 C ATOM 327 SD MET A 21 -0.279 2.340 -7.724 1.00 0.00 S ATOM 328 CE MET A 21 -1.363 3.404 -6.775 1.00 0.00 C ATOM 0 H MET A 21 2.622 5.176 -10.844 1.00 0.00 H new ATOM 0 HA MET A 21 -0.301 5.550 -10.690 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.598 4.486 -8.584 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.043 5.182 -8.174 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.056 3.490 -9.677 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.514 2.759 -9.945 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.028 2.794 -6.164 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.766 4.049 -6.130 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.955 4.018 -7.453 1.00 0.00 H new ATOM 338 N THR A 22 0.047 7.874 -10.011 1.00 0.00 N ATOM 339 CA THR A 22 0.158 9.243 -9.558 1.00 0.00 C ATOM 340 C THR A 22 -0.739 9.461 -8.345 1.00 0.00 C ATOM 341 O THR A 22 -1.401 8.528 -7.880 1.00 0.00 O ATOM 342 CB THR A 22 -0.219 10.243 -10.667 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.565 10.010 -11.105 1.00 0.00 O ATOM 344 CG2 THR A 22 0.731 10.124 -11.849 1.00 0.00 C ATOM 0 H THR A 22 -0.811 7.669 -10.523 1.00 0.00 H new ATOM 0 HA THR A 22 1.199 9.419 -9.286 1.00 0.00 H new ATOM 0 HB THR A 22 -0.141 11.250 -10.257 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.576 9.271 -11.749 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.445 10.840 -12.619 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.749 10.333 -11.520 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.681 9.114 -12.256 1.00 0.00 H new ATOM 352 N ARG A 23 -0.764 10.686 -7.845 1.00 0.00 N ATOM 353 CA ARG A 23 -1.574 11.035 -6.681 1.00 0.00 C ATOM 354 C ARG A 23 -3.063 10.785 -6.963 1.00 0.00 C ATOM 355 O ARG A 23 -3.848 10.561 -6.044 1.00 0.00 O ATOM 356 CB ARG A 23 -1.326 12.507 -6.325 1.00 0.00 C ATOM 357 CG ARG A 23 -1.511 12.856 -4.852 1.00 0.00 C ATOM 358 CD ARG A 23 -2.977 12.945 -4.454 1.00 0.00 C ATOM 359 NE ARG A 23 -3.134 13.398 -3.072 1.00 0.00 N ATOM 360 CZ ARG A 23 -4.300 13.445 -2.425 1.00 0.00 C ATOM 361 NH1 ARG A 23 -5.415 13.038 -3.025 1.00 0.00 N ATOM 362 NH2 ARG A 23 -4.346 13.892 -1.175 1.00 0.00 N ATOM 0 H ARG A 23 -0.228 11.464 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.289 10.407 -5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.310 12.770 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.000 13.126 -6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.016 12.103 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.023 13.808 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.495 13.632 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.447 11.969 -4.573 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.298 13.697 -2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.380 12.689 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.305 13.075 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.491 14.199 -0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.236 13.929 -0.679 1.00 0.00 H new ATOM 376 N ALA A 24 -3.438 10.814 -8.240 1.00 0.00 N ATOM 377 CA ALA A 24 -4.835 10.638 -8.631 1.00 0.00 C ATOM 378 C ALA A 24 -5.148 9.201 -9.059 1.00 0.00 C ATOM 379 O ALA A 24 -6.313 8.837 -9.222 1.00 0.00 O ATOM 380 CB ALA A 24 -5.183 11.607 -9.752 1.00 0.00 C ATOM 0 H ALA A 24 -2.796 10.957 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.447 10.850 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.226 11.471 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.031 12.630 -9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.541 11.414 -10.612 1.00 0.00 H new ATOM 386 N ASP A 25 -4.116 8.383 -9.230 1.00 0.00 N ATOM 387 CA ASP A 25 -4.309 6.999 -9.674 1.00 0.00 C ATOM 388 C ASP A 25 -4.839 6.128 -8.547 1.00 0.00 C ATOM 389 O ASP A 25 -5.610 5.198 -8.782 1.00 0.00 O ATOM 390 CB ASP A 25 -3.011 6.395 -10.220 1.00 0.00 C ATOM 391 CG ASP A 25 -2.770 6.729 -11.679 1.00 0.00 C ATOM 392 OD1 ASP A 25 -3.387 6.087 -12.552 1.00 0.00 O ATOM 393 OD2 ASP A 25 -1.958 7.636 -11.960 1.00 0.00 O ATOM 0 H ASP A 25 -3.144 8.646 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.045 7.026 -10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.171 6.756 -9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.043 5.312 -10.101 1.00 0.00 H new ATOM 398 N LEU A 26 -4.434 6.434 -7.326 1.00 0.00 N ATOM 399 CA LEU A 26 -4.856 5.654 -6.175 1.00 0.00 C ATOM 400 C LEU A 26 -6.194 6.162 -5.642 1.00 0.00 C ATOM 401 O LEU A 26 -6.582 7.300 -5.906 1.00 0.00 O ATOM 402 CB LEU A 26 -3.766 5.667 -5.088 1.00 0.00 C ATOM 403 CG LEU A 26 -3.190 7.040 -4.718 1.00 0.00 C ATOM 404 CD1 LEU A 26 -4.124 7.808 -3.786 1.00 0.00 C ATOM 405 CD2 LEU A 26 -1.815 6.877 -4.091 1.00 0.00 C ATOM 0 H LEU A 26 -3.815 7.215 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.000 4.619 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.177 5.214 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.946 5.030 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.093 7.624 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.683 8.775 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.085 7.959 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.272 7.238 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.415 7.857 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.896 6.268 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.147 6.388 -4.800 1.00 0.00 H new ATOM 417 N PRO A 27 -6.924 5.311 -4.907 1.00 0.00 N ATOM 418 CA PRO A 27 -8.202 5.675 -4.313 1.00 0.00 C ATOM 419 C PRO A 27 -8.024 6.406 -2.982 1.00 0.00 C ATOM 420 O PRO A 27 -7.657 5.802 -1.974 1.00 0.00 O ATOM 421 CB PRO A 27 -8.889 4.325 -4.104 1.00 0.00 C ATOM 422 CG PRO A 27 -7.797 3.304 -4.036 1.00 0.00 C ATOM 423 CD PRO A 27 -6.543 3.925 -4.593 1.00 0.00 C ATOM 0 HA PRO A 27 -8.772 6.360 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.478 4.326 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.575 4.107 -4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.639 2.984 -3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.069 2.417 -4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.729 3.892 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.200 3.397 -5.483 1.00 0.00 H new ATOM 431 N PRO A 28 -8.272 7.725 -2.966 1.00 0.00 N ATOM 432 CA PRO A 28 -8.087 8.566 -1.785 1.00 0.00 C ATOM 433 C PRO A 28 -9.235 8.420 -0.793 1.00 0.00 C ATOM 434 O PRO A 28 -9.970 9.379 -0.537 1.00 0.00 O ATOM 435 CB PRO A 28 -8.046 9.996 -2.351 1.00 0.00 C ATOM 436 CG PRO A 28 -8.138 9.859 -3.838 1.00 0.00 C ATOM 437 CD PRO A 28 -8.752 8.516 -4.101 1.00 0.00 C ATOM 0 HA PRO A 28 -7.188 8.294 -1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.872 10.592 -1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.125 10.502 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.748 10.655 -4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.152 9.932 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.840 8.565 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.426 8.099 -5.054 1.00 0.00 H new ATOM 445 N ALA A 29 -9.383 7.206 -0.260 1.00 0.00 N ATOM 446 CA ALA A 29 -10.437 6.861 0.701 1.00 0.00 C ATOM 447 C ALA A 29 -11.812 6.817 0.034 1.00 0.00 C ATOM 448 O ALA A 29 -12.511 5.808 0.102 1.00 0.00 O ATOM 449 CB ALA A 29 -10.446 7.817 1.891 1.00 0.00 C ATOM 0 H ALA A 29 -8.768 6.424 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.213 5.862 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.239 7.531 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.485 7.770 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.620 8.834 1.539 1.00 0.00 H new ATOM 455 N ASN A 30 -12.187 7.900 -0.630 1.00 0.00 N ATOM 456 CA ASN A 30 -13.473 7.973 -1.298 1.00 0.00 C ATOM 457 C ASN A 30 -13.317 7.603 -2.765 1.00 0.00 C ATOM 458 O ASN A 30 -13.268 8.461 -3.643 1.00 0.00 O ATOM 459 CB ASN A 30 -14.092 9.371 -1.162 1.00 0.00 C ATOM 460 CG ASN A 30 -15.488 9.452 -1.766 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.654 9.749 -2.947 1.00 0.00 O ATOM 462 ND2 ASN A 30 -16.504 9.198 -0.955 1.00 0.00 N ATOM 0 H ASN A 30 -11.616 8.741 -0.719 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.147 7.262 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.140 9.643 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.445 10.100 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.461 9.246 -1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.330 8.954 0.020 1.00 0.00 H new ATOM 469 N THR A 31 -13.155 6.321 -3.009 1.00 0.00 N ATOM 470 CA THR A 31 -13.172 5.799 -4.363 1.00 0.00 C ATOM 471 C THR A 31 -14.602 5.381 -4.718 1.00 0.00 C ATOM 472 O THR A 31 -15.504 5.483 -3.882 1.00 0.00 O ATOM 473 CB THR A 31 -12.213 4.598 -4.523 1.00 0.00 C ATOM 474 OG1 THR A 31 -12.064 4.267 -5.913 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.721 3.383 -3.758 1.00 0.00 C ATOM 0 H THR A 31 -13.009 5.616 -2.286 1.00 0.00 H new ATOM 0 HA THR A 31 -12.830 6.582 -5.040 1.00 0.00 H new ATOM 0 HB THR A 31 -11.245 4.884 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.207 3.306 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.026 2.554 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.799 3.627 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.702 3.098 -4.138 1.00 0.00 H new ATOM 483 N ARG A 32 -14.817 4.916 -5.941 1.00 0.00 N ATOM 484 CA ARG A 32 -16.141 4.467 -6.353 1.00 0.00 C ATOM 485 C ARG A 32 -16.434 3.078 -5.787 1.00 0.00 C ATOM 486 O ARG A 32 -17.501 2.840 -5.217 1.00 0.00 O ATOM 487 CB ARG A 32 -16.262 4.469 -7.884 1.00 0.00 C ATOM 488 CG ARG A 32 -17.564 3.874 -8.413 1.00 0.00 C ATOM 489 CD ARG A 32 -18.795 4.556 -7.826 1.00 0.00 C ATOM 490 NE ARG A 32 -18.861 5.981 -8.141 1.00 0.00 N ATOM 491 CZ ARG A 32 -19.952 6.730 -7.963 1.00 0.00 C ATOM 492 NH1 ARG A 32 -21.083 6.172 -7.549 1.00 0.00 N ATOM 493 NH2 ARG A 32 -19.918 8.030 -8.219 1.00 0.00 N ATOM 0 H ARG A 32 -14.098 4.840 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.880 5.162 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.173 5.495 -8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.425 3.911 -8.303 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.586 3.963 -9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.595 2.810 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.691 4.064 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.793 4.428 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.026 6.429 -8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.120 5.169 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.915 6.746 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.056 8.462 -8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.753 8.599 -8.082 1.00 0.00 H new ATOM 507 N ARG A 33 -15.481 2.170 -5.926 1.00 0.00 N ATOM 508 CA ARG A 33 -15.664 0.811 -5.447 1.00 0.00 C ATOM 509 C ARG A 33 -14.339 0.220 -4.989 1.00 0.00 C ATOM 510 O ARG A 33 -13.345 0.257 -5.720 1.00 0.00 O ATOM 511 CB ARG A 33 -16.272 -0.056 -6.546 1.00 0.00 C ATOM 512 CG ARG A 33 -16.762 -1.405 -6.054 1.00 0.00 C ATOM 513 CD ARG A 33 -17.377 -2.211 -7.181 1.00 0.00 C ATOM 514 NE ARG A 33 -17.999 -3.440 -6.697 1.00 0.00 N ATOM 515 CZ ARG A 33 -18.099 -4.557 -7.413 1.00 0.00 C ATOM 516 NH1 ARG A 33 -17.616 -4.605 -8.648 1.00 0.00 N ATOM 517 NH2 ARG A 33 -18.677 -5.632 -6.895 1.00 0.00 N ATOM 0 H ARG A 33 -14.578 2.349 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.344 0.835 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.105 0.480 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.528 -0.212 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.931 -1.960 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.498 -1.261 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.123 -1.605 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.607 -2.458 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.381 -3.442 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.166 -3.784 -9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.695 -5.463 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.047 -5.604 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.752 -6.487 -7.447 1.00 0.00 H new ATOM 531 N TRP A 34 -14.325 -0.316 -3.777 1.00 0.00 N ATOM 532 CA TRP A 34 -13.130 -0.938 -3.229 1.00 0.00 C ATOM 533 C TRP A 34 -12.964 -2.370 -3.725 1.00 0.00 C ATOM 534 O TRP A 34 -13.168 -3.323 -2.973 1.00 0.00 O ATOM 535 CB TRP A 34 -13.160 -0.932 -1.699 1.00 0.00 C ATOM 536 CG TRP A 34 -12.874 0.405 -1.091 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.753 1.220 -0.436 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.615 1.085 -1.087 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.111 2.359 -0.012 1.00 0.00 N ATOM 540 CE2 TRP A 34 -11.799 2.301 -0.402 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.351 0.779 -1.593 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -10.764 3.210 -0.213 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.326 1.683 -1.405 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.536 2.887 -0.718 1.00 0.00 C ATOM 0 H TRP A 34 -15.132 -0.332 -3.153 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.280 -0.349 -3.574 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.140 -1.270 -1.364 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.430 -1.652 -1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.798 1.002 -0.275 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.542 3.123 0.508 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.179 -0.147 -2.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.925 4.139 0.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.344 1.459 -1.794 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.712 3.572 -0.585 1.00 0.00 H new ATOM 555 N VAL A 35 -12.613 -2.516 -4.991 1.00 0.00 N ATOM 556 CA VAL A 35 -12.328 -3.831 -5.551 1.00 0.00 C ATOM 557 C VAL A 35 -10.937 -4.291 -5.125 1.00 0.00 C ATOM 558 O VAL A 35 -10.125 -3.479 -4.672 1.00 0.00 O ATOM 559 CB VAL A 35 -12.424 -3.830 -7.092 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.850 -3.553 -7.540 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.465 -2.812 -7.694 1.00 0.00 C ATOM 0 H VAL A 35 -12.518 -1.744 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.079 -4.522 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.138 -4.819 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.896 -3.557 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.512 -4.325 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.166 -2.579 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.551 -2.830 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.714 -1.816 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.443 -3.060 -7.407 1.00 0.00 H new ATOM 571 N ALA A 36 -10.664 -5.582 -5.271 1.00 0.00 N ATOM 572 CA ALA A 36 -9.382 -6.151 -4.868 1.00 0.00 C ATOM 573 C ALA A 36 -8.222 -5.436 -5.551 1.00 0.00 C ATOM 574 O ALA A 36 -7.196 -5.160 -4.927 1.00 0.00 O ATOM 575 CB ALA A 36 -9.344 -7.640 -5.183 1.00 0.00 C ATOM 0 H ALA A 36 -11.316 -6.258 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.275 -6.013 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.382 -8.052 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.144 -8.147 -4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.479 -7.789 -6.254 1.00 0.00 H new ATOM 581 N SER A 37 -8.407 -5.117 -6.827 1.00 0.00 N ATOM 582 CA SER A 37 -7.389 -4.433 -7.610 1.00 0.00 C ATOM 583 C SER A 37 -7.014 -3.087 -6.986 1.00 0.00 C ATOM 584 O SER A 37 -5.843 -2.711 -6.954 1.00 0.00 O ATOM 585 CB SER A 37 -7.889 -4.231 -9.042 1.00 0.00 C ATOM 586 OG SER A 37 -8.322 -5.461 -9.604 1.00 0.00 O ATOM 0 H SER A 37 -9.262 -5.324 -7.344 1.00 0.00 H new ATOM 0 HA SER A 37 -6.493 -5.054 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.710 -3.515 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.092 -3.807 -9.654 1.00 0.00 H new ATOM 0 HG SER A 37 -8.639 -5.309 -10.519 1.00 0.00 H new ATOM 592 N ARG A 38 -8.008 -2.371 -6.465 1.00 0.00 N ATOM 593 CA ARG A 38 -7.756 -1.071 -5.854 1.00 0.00 C ATOM 594 C ARG A 38 -7.138 -1.231 -4.476 1.00 0.00 C ATOM 595 O ARG A 38 -6.313 -0.421 -4.075 1.00 0.00 O ATOM 596 CB ARG A 38 -9.031 -0.231 -5.775 1.00 0.00 C ATOM 597 CG ARG A 38 -9.493 0.254 -7.135 1.00 0.00 C ATOM 598 CD ARG A 38 -10.582 1.308 -7.036 1.00 0.00 C ATOM 599 NE ARG A 38 -10.991 1.770 -8.363 1.00 0.00 N ATOM 600 CZ ARG A 38 -10.447 2.809 -8.998 1.00 0.00 C ATOM 601 NH1 ARG A 38 -9.531 3.562 -8.397 1.00 0.00 N ATOM 602 NH2 ARG A 38 -10.835 3.099 -10.230 1.00 0.00 N ATOM 0 H ARG A 38 -8.984 -2.666 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.048 -0.543 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.823 -0.822 -5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.857 0.628 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.642 0.665 -7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.863 -0.593 -7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.443 0.897 -6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.222 2.153 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.742 1.264 -8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.240 3.347 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.120 4.355 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.546 2.529 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.423 3.892 -10.721 1.00 0.00 H new ATOM 616 N LYS A 39 -7.531 -2.279 -3.764 1.00 0.00 N ATOM 617 CA LYS A 39 -6.944 -2.584 -2.461 1.00 0.00 C ATOM 618 C LYS A 39 -5.432 -2.765 -2.598 1.00 0.00 C ATOM 619 O LYS A 39 -4.641 -2.144 -1.877 1.00 0.00 O ATOM 620 CB LYS A 39 -7.571 -3.857 -1.885 1.00 0.00 C ATOM 621 CG LYS A 39 -9.074 -3.760 -1.654 1.00 0.00 C ATOM 622 CD LYS A 39 -9.647 -5.098 -1.208 1.00 0.00 C ATOM 623 CE LYS A 39 -11.151 -5.032 -0.982 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.512 -4.160 0.167 1.00 0.00 N ATOM 0 H LYS A 39 -8.253 -2.933 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.143 -1.754 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.371 -4.687 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.083 -4.094 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.281 -3.002 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.566 -3.438 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.427 -5.855 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.156 -5.413 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.636 -4.659 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.534 -6.037 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.504 -4.328 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.896 -4.379 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.389 -3.163 -0.102 1.00 0.00 H new ATOM 638 N ILE A 40 -5.044 -3.597 -3.558 1.00 0.00 N ATOM 639 CA ILE A 40 -3.639 -3.846 -3.846 1.00 0.00 C ATOM 640 C ILE A 40 -2.945 -2.561 -4.297 1.00 0.00 C ATOM 641 O ILE A 40 -1.785 -2.318 -3.964 1.00 0.00 O ATOM 642 CB ILE A 40 -3.480 -4.937 -4.932 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.160 -6.233 -4.477 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.007 -5.183 -5.231 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.140 -7.334 -5.517 1.00 0.00 C ATOM 0 H ILE A 40 -5.690 -4.114 -4.154 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.170 -4.199 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.960 -4.592 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.668 -6.592 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.195 -6.015 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.915 -5.953 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.549 -4.260 -5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.501 -5.512 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.640 -8.218 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.658 -6.996 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.108 -7.581 -5.765 1.00 0.00 H new ATOM 657 N ALA A 41 -3.667 -1.733 -5.045 1.00 0.00 N ATOM 658 CA ALA A 41 -3.127 -0.464 -5.510 1.00 0.00 C ATOM 659 C ALA A 41 -2.833 0.473 -4.344 1.00 0.00 C ATOM 660 O ALA A 41 -1.861 1.222 -4.379 1.00 0.00 O ATOM 661 CB ALA A 41 -4.080 0.200 -6.493 1.00 0.00 C ATOM 0 H ALA A 41 -4.625 -1.919 -5.341 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.188 -0.673 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.656 1.147 -6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.230 -0.454 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.037 0.383 -6.005 1.00 0.00 H new ATOM 667 N VAL A 42 -3.668 0.425 -3.306 1.00 0.00 N ATOM 668 CA VAL A 42 -3.461 1.270 -2.139 1.00 0.00 C ATOM 669 C VAL A 42 -2.133 0.936 -1.480 1.00 0.00 C ATOM 670 O VAL A 42 -1.283 1.807 -1.328 1.00 0.00 O ATOM 671 CB VAL A 42 -4.587 1.138 -1.089 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.388 2.141 0.034 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.949 1.338 -1.719 1.00 0.00 C ATOM 0 H VAL A 42 -4.484 -0.184 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.464 2.298 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.541 0.129 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.190 2.034 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.429 1.959 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.402 3.152 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.721 1.239 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.002 2.332 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.106 0.587 -2.493 1.00 0.00 H new ATOM 683 N VAL A 43 -1.942 -0.332 -1.121 1.00 0.00 N ATOM 684 CA VAL A 43 -0.713 -0.738 -0.441 1.00 0.00 C ATOM 685 C VAL A 43 0.522 -0.526 -1.319 1.00 0.00 C ATOM 686 O VAL A 43 1.594 -0.207 -0.809 1.00 0.00 O ATOM 687 CB VAL A 43 -0.763 -2.194 0.080 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.360 -2.231 1.477 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.568 -3.093 -0.847 1.00 0.00 C ATOM 0 H VAL A 43 -2.610 -1.085 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.631 -0.087 0.430 1.00 0.00 H new ATOM 0 HB VAL A 43 0.260 -2.569 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.390 -3.261 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.747 -1.632 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.372 -1.827 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.581 -4.108 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.589 -2.719 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.111 -3.097 -1.837 1.00 0.00 H new ATOM 699 N ARG A 44 0.372 -0.677 -2.635 1.00 0.00 N ATOM 700 CA ARG A 44 1.460 -0.355 -3.559 1.00 0.00 C ATOM 701 C ARG A 44 1.775 1.136 -3.499 1.00 0.00 C ATOM 702 O ARG A 44 2.921 1.533 -3.280 1.00 0.00 O ATOM 703 CB ARG A 44 1.099 -0.723 -5.007 1.00 0.00 C ATOM 704 CG ARG A 44 1.014 -2.216 -5.298 1.00 0.00 C ATOM 705 CD ARG A 44 0.714 -2.451 -6.777 1.00 0.00 C ATOM 706 NE ARG A 44 0.601 -3.873 -7.126 1.00 0.00 N ATOM 707 CZ ARG A 44 0.588 -4.329 -8.386 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.731 -3.482 -9.398 1.00 0.00 N ATOM 709 NH2 ARG A 44 0.438 -5.626 -8.636 1.00 0.00 N ATOM 0 H ARG A 44 -0.480 -1.016 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 44 2.329 -0.938 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.140 -0.267 -5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.841 -0.282 -5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.953 -2.700 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.235 -2.669 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.216 -1.945 -7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.503 -1.998 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 44 0.528 -4.551 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.851 -2.486 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.721 -3.828 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.331 -6.285 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.430 -5.962 -9.599 1.00 0.00 H new ATOM 723 N GLY A 45 0.741 1.949 -3.680 1.00 0.00 N ATOM 724 CA GLY A 45 0.913 3.385 -3.773 1.00 0.00 C ATOM 725 C GLY A 45 1.394 4.020 -2.486 1.00 0.00 C ATOM 726 O GLY A 45 2.248 4.904 -2.516 1.00 0.00 O ATOM 0 H GLY A 45 -0.225 1.633 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.626 3.607 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.035 3.839 -4.060 1.00 0.00 H new ATOM 730 N VAL A 46 0.852 3.590 -1.355 1.00 0.00 N ATOM 731 CA VAL A 46 1.231 4.188 -0.084 1.00 0.00 C ATOM 732 C VAL A 46 2.651 3.783 0.317 1.00 0.00 C ATOM 733 O VAL A 46 3.518 4.642 0.469 1.00 0.00 O ATOM 734 CB VAL A 46 0.229 3.864 1.062 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.129 4.478 0.771 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.087 2.365 1.297 1.00 0.00 C ATOM 0 H VAL A 46 0.161 2.843 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 46 1.202 5.267 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 46 0.634 4.302 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.817 4.241 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.028 5.560 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.518 4.074 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.622 2.189 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.274 1.887 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.056 1.946 1.567 1.00 0.00 H new ATOM 746 N ILE A 47 2.894 2.477 0.415 1.00 0.00 N ATOM 747 CA ILE A 47 4.149 1.957 0.947 1.00 0.00 C ATOM 748 C ILE A 47 5.320 2.260 0.020 1.00 0.00 C ATOM 749 O ILE A 47 6.293 2.898 0.420 1.00 0.00 O ATOM 750 CB ILE A 47 4.058 0.430 1.174 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.932 0.107 2.161 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.385 -0.127 1.672 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.748 -1.377 2.409 1.00 0.00 C ATOM 0 H ILE A 47 2.231 1.756 0.130 1.00 0.00 H new ATOM 0 HA ILE A 47 4.323 2.456 1.900 1.00 0.00 H new ATOM 0 HB ILE A 47 3.832 -0.046 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.139 0.602 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.998 0.522 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.294 -1.203 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.163 0.071 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.649 0.351 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.934 -1.529 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.510 -1.876 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.668 -1.794 2.818 1.00 0.00 H new ATOM 765 N TYR A 48 5.210 1.818 -1.222 1.00 0.00 N ATOM 766 CA TYR A 48 6.306 1.942 -2.172 1.00 0.00 C ATOM 767 C TYR A 48 6.404 3.361 -2.724 1.00 0.00 C ATOM 768 O TYR A 48 7.481 3.813 -3.116 1.00 0.00 O ATOM 769 CB TYR A 48 6.106 0.943 -3.314 1.00 0.00 C ATOM 770 CG TYR A 48 7.191 0.973 -4.364 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.421 0.370 -4.141 1.00 0.00 C ATOM 772 CD2 TYR A 48 6.982 1.611 -5.578 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.415 0.403 -5.101 1.00 0.00 C ATOM 774 CE2 TYR A 48 7.966 1.647 -6.543 1.00 0.00 C ATOM 775 CZ TYR A 48 9.183 1.044 -6.299 1.00 0.00 C ATOM 776 OH TYR A 48 10.168 1.089 -7.258 1.00 0.00 O ATOM 0 H TYR A 48 4.374 1.370 -1.597 1.00 0.00 H new ATOM 0 HA TYR A 48 7.239 1.723 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.049 -0.062 -2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.148 1.144 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.604 -0.133 -3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.032 2.088 -5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.367 -0.070 -4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.785 2.144 -7.485 1.00 0.00 H new ATOM 0 HH TYR A 48 9.840 1.578 -8.042 1.00 0.00 H new ATOM 786 N GLY A 49 5.283 4.062 -2.739 1.00 0.00 N ATOM 787 CA GLY A 49 5.227 5.333 -3.424 1.00 0.00 C ATOM 788 C GLY A 49 5.347 6.549 -2.524 1.00 0.00 C ATOM 789 O GLY A 49 6.322 7.294 -2.618 1.00 0.00 O ATOM 0 H GLY A 49 4.413 3.774 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.027 5.366 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.285 5.394 -3.970 1.00 0.00 H new ATOM 793 N LEU A 50 4.370 6.755 -1.651 1.00 0.00 N ATOM 794 CA LEU A 50 4.202 8.058 -1.018 1.00 0.00 C ATOM 795 C LEU A 50 4.646 8.099 0.440 1.00 0.00 C ATOM 796 O LEU A 50 5.690 8.667 0.762 1.00 0.00 O ATOM 797 CB LEU A 50 2.741 8.502 -1.126 1.00 0.00 C ATOM 798 CG LEU A 50 2.213 8.674 -2.552 1.00 0.00 C ATOM 799 CD1 LEU A 50 0.750 9.084 -2.528 1.00 0.00 C ATOM 800 CD2 LEU A 50 3.042 9.702 -3.312 1.00 0.00 C ATOM 0 H LEU A 50 3.691 6.049 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 50 4.855 8.745 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.117 7.771 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.626 9.448 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 50 2.298 7.718 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.389 9.203 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.165 8.315 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.646 10.029 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.650 9.809 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.990 10.662 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.079 9.371 -3.358 1.00 0.00 H new ATOM 812 N ILE A 51 3.855 7.510 1.325 1.00 0.00 N ATOM 813 CA ILE A 51 3.990 7.788 2.749 1.00 0.00 C ATOM 814 C ILE A 51 4.181 6.523 3.578 1.00 0.00 C ATOM 815 O ILE A 51 4.157 5.409 3.061 1.00 0.00 O ATOM 816 CB ILE A 51 2.762 8.557 3.305 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.498 7.674 3.330 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.514 9.831 2.508 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.956 7.279 1.973 1.00 0.00 C ATOM 0 H ILE A 51 3.120 6.844 1.087 1.00 0.00 H new ATOM 0 HA ILE A 51 4.883 8.406 2.838 1.00 0.00 H new ATOM 0 HB ILE A 51 2.990 8.833 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.720 6.767 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.716 8.203 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.648 10.353 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.390 10.476 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.326 9.577 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.068 6.660 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.695 8.175 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.714 6.717 1.428 1.00 0.00 H new ATOM 831 N THR A 52 4.366 6.720 4.874 1.00 0.00 N ATOM 832 CA THR A 52 4.479 5.619 5.810 1.00 0.00 C ATOM 833 C THR A 52 3.095 5.124 6.212 1.00 0.00 C ATOM 834 O THR A 52 2.078 5.735 5.866 1.00 0.00 O ATOM 835 CB THR A 52 5.252 6.053 7.068 1.00 0.00 C ATOM 836 OG1 THR A 52 4.646 7.225 7.631 1.00 0.00 O ATOM 837 CG2 THR A 52 6.708 6.342 6.739 1.00 0.00 C ATOM 0 H THR A 52 4.441 7.643 5.302 1.00 0.00 H new ATOM 0 HA THR A 52 5.024 4.812 5.320 1.00 0.00 H new ATOM 0 HB THR A 52 5.215 5.237 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.141 7.496 8.432 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.232 6.647 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.175 5.444 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.762 7.143 6.002 1.00 0.00 H new ATOM 845 N LEU A 53 3.057 4.028 6.957 1.00 0.00 N ATOM 846 CA LEU A 53 1.795 3.448 7.392 1.00 0.00 C ATOM 847 C LEU A 53 1.045 4.389 8.337 1.00 0.00 C ATOM 848 O LEU A 53 -0.175 4.347 8.416 1.00 0.00 O ATOM 849 CB LEU A 53 2.036 2.096 8.070 1.00 0.00 C ATOM 850 CG LEU A 53 0.784 1.410 8.630 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.236 1.169 7.527 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.154 0.100 9.308 1.00 0.00 C ATOM 0 H LEU A 53 3.885 3.523 7.272 1.00 0.00 H new ATOM 0 HA LEU A 53 1.175 3.296 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.506 1.426 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.747 2.238 8.884 1.00 0.00 H new ATOM 0 HG LEU A 53 0.335 2.070 9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.116 0.681 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.525 2.122 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.202 0.530 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.254 -0.374 9.700 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.628 -0.563 8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.846 0.297 10.127 1.00 0.00 H new ATOM 864 N ALA A 54 1.777 5.248 9.041 1.00 0.00 N ATOM 865 CA ALA A 54 1.158 6.202 9.961 1.00 0.00 C ATOM 866 C ALA A 54 0.170 7.106 9.224 1.00 0.00 C ATOM 867 O ALA A 54 -0.978 7.280 9.647 1.00 0.00 O ATOM 868 CB ALA A 54 2.222 7.031 10.659 1.00 0.00 C ATOM 0 H ALA A 54 2.794 5.305 8.994 1.00 0.00 H new ATOM 0 HA ALA A 54 0.606 5.641 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.745 7.736 11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.884 6.373 11.222 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.801 7.579 9.916 1.00 0.00 H new ATOM 874 N GLU A 55 0.618 7.661 8.107 1.00 0.00 N ATOM 875 CA GLU A 55 -0.218 8.518 7.278 1.00 0.00 C ATOM 876 C GLU A 55 -1.334 7.701 6.626 1.00 0.00 C ATOM 877 O GLU A 55 -2.506 8.086 6.647 1.00 0.00 O ATOM 878 CB GLU A 55 0.639 9.179 6.196 1.00 0.00 C ATOM 879 CG GLU A 55 1.706 10.113 6.735 1.00 0.00 C ATOM 880 CD GLU A 55 1.119 11.381 7.314 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.879 12.331 6.535 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.896 11.434 8.535 1.00 0.00 O ATOM 0 H GLU A 55 1.565 7.531 7.751 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.668 9.287 7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.119 8.401 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.012 9.738 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.282 9.598 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.400 10.369 5.934 1.00 0.00 H new ATOM 889 N ALA A 56 -0.955 6.549 6.079 1.00 0.00 N ATOM 890 CA ALA A 56 -1.886 5.683 5.366 1.00 0.00 C ATOM 891 C ALA A 56 -2.882 5.023 6.302 1.00 0.00 C ATOM 892 O ALA A 56 -3.856 4.451 5.846 1.00 0.00 O ATOM 893 CB ALA A 56 -1.119 4.626 4.585 1.00 0.00 C ATOM 0 H ALA A 56 -0.000 6.192 6.118 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.453 6.307 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.822 3.983 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.459 5.112 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.525 4.024 5.273 1.00 0.00 H new ATOM 899 N LYS A 57 -2.650 5.092 7.601 1.00 0.00 N ATOM 900 CA LYS A 57 -3.598 4.542 8.556 1.00 0.00 C ATOM 901 C LYS A 57 -4.631 5.601 8.927 1.00 0.00 C ATOM 902 O LYS A 57 -5.825 5.313 9.043 1.00 0.00 O ATOM 903 CB LYS A 57 -2.879 4.035 9.806 1.00 0.00 C ATOM 904 CG LYS A 57 -3.762 3.189 10.710 1.00 0.00 C ATOM 905 CD LYS A 57 -2.994 2.665 11.913 1.00 0.00 C ATOM 906 CE LYS A 57 -2.541 3.793 12.824 1.00 0.00 C ATOM 907 NZ LYS A 57 -3.686 4.470 13.480 1.00 0.00 N ATOM 0 H LYS A 57 -1.822 5.519 8.017 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.107 3.696 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.012 3.447 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.504 4.888 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.610 3.783 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.167 2.351 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.623 1.974 12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.126 2.101 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.869 3.397 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.973 4.521 12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.334 5.102 14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.211 5.026 12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.317 3.757 13.898 1.00 0.00 H new ATOM 921 N GLN A 58 -4.168 6.831 9.091 1.00 0.00 N ATOM 922 CA GLN A 58 -5.055 7.941 9.410 1.00 0.00 C ATOM 923 C GLN A 58 -6.059 8.168 8.284 1.00 0.00 C ATOM 924 O GLN A 58 -7.261 8.311 8.523 1.00 0.00 O ATOM 925 CB GLN A 58 -4.248 9.216 9.653 1.00 0.00 C ATOM 926 CG GLN A 58 -3.353 9.151 10.879 1.00 0.00 C ATOM 927 CD GLN A 58 -2.519 10.404 11.042 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.942 11.368 11.683 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.327 10.397 10.468 1.00 0.00 N ATOM 0 H GLN A 58 -3.184 7.086 9.009 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.601 7.689 10.319 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.633 9.418 8.776 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.935 10.055 9.761 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.967 9.006 11.768 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.695 8.286 10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.017 9.577 9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.718 11.212 10.547 1.00 0.00 H new ATOM 938 N THR A 59 -5.566 8.177 7.056 1.00 0.00 N ATOM 939 CA THR A 59 -6.415 8.436 5.906 1.00 0.00 C ATOM 940 C THR A 59 -6.958 7.140 5.298 1.00 0.00 C ATOM 941 O THR A 59 -8.166 6.996 5.106 1.00 0.00 O ATOM 942 CB THR A 59 -5.650 9.230 4.831 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.998 10.358 5.436 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.596 9.714 3.741 1.00 0.00 C ATOM 0 H THR A 59 -4.586 8.008 6.831 1.00 0.00 H new ATOM 0 HA THR A 59 -7.260 9.028 6.259 1.00 0.00 H new ATOM 0 HB THR A 59 -4.907 8.573 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.511 10.861 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.034 10.272 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.076 8.857 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.357 10.360 4.180 1.00 0.00 H new ATOM 952 N TYR A 60 -6.074 6.189 5.023 1.00 0.00 N ATOM 953 CA TYR A 60 -6.459 4.979 4.300 1.00 0.00 C ATOM 954 C TYR A 60 -6.538 3.765 5.224 1.00 0.00 C ATOM 955 O TYR A 60 -6.542 2.633 4.752 1.00 0.00 O ATOM 956 CB TYR A 60 -5.467 4.690 3.169 1.00 0.00 C ATOM 957 CG TYR A 60 -5.216 5.865 2.252 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.165 6.252 1.313 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.028 6.589 2.320 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.939 7.323 0.471 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.798 7.661 1.482 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.756 8.023 0.560 1.00 0.00 C ATOM 963 OH TYR A 60 -4.530 9.089 -0.279 1.00 0.00 O ATOM 0 H TYR A 60 -5.090 6.230 5.287 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.450 5.158 3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.519 4.374 3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.841 3.855 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.094 5.706 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.274 6.307 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.686 7.610 -0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.872 8.213 1.548 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.650 9.475 -0.088 1.00 0.00 H new ATOM 973 N GLY A 61 -6.586 4.002 6.533 1.00 0.00 N ATOM 974 CA GLY A 61 -6.499 2.916 7.493 1.00 0.00 C ATOM 975 C GLY A 61 -7.676 1.964 7.453 1.00 0.00 C ATOM 976 O GLY A 61 -7.508 0.781 7.737 1.00 0.00 O ATOM 0 H GLY A 61 -6.684 4.930 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.584 2.354 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.418 3.336 8.495 1.00 0.00 H new ATOM 980 N LEU A 62 -8.855 2.485 7.089 1.00 0.00 N ATOM 981 CA LEU A 62 -10.107 1.707 7.059 1.00 0.00 C ATOM 982 C LEU A 62 -10.256 0.844 8.314 1.00 0.00 C ATOM 983 O LEU A 62 -10.716 1.310 9.358 1.00 0.00 O ATOM 984 CB LEU A 62 -10.208 0.827 5.793 1.00 0.00 C ATOM 985 CG LEU A 62 -9.122 1.040 4.730 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.089 -0.078 4.778 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.735 1.131 3.343 1.00 0.00 C ATOM 0 H LEU A 62 -8.971 3.458 6.806 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.924 2.428 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.186 -0.219 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.179 1.003 5.330 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.620 1.983 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.330 0.095 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.618 -0.097 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.579 -1.034 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.946 1.282 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.268 0.207 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.431 1.969 3.307 1.00 0.00 H new ATOM 999 N SER A 63 -9.858 -0.410 8.203 1.00 0.00 N ATOM 1000 CA SER A 63 -9.790 -1.308 9.338 1.00 0.00 C ATOM 1001 C SER A 63 -8.458 -2.044 9.287 1.00 0.00 C ATOM 1002 O SER A 63 -7.971 -2.355 8.199 1.00 0.00 O ATOM 1003 CB SER A 63 -10.946 -2.309 9.298 1.00 0.00 C ATOM 1004 OG SER A 63 -12.192 -1.644 9.178 1.00 0.00 O ATOM 0 H SER A 63 -9.572 -0.834 7.320 1.00 0.00 H new ATOM 0 HA SER A 63 -9.869 -0.739 10.264 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.812 -2.991 8.458 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.939 -2.914 10.205 1.00 0.00 H new ATOM 0 HG SER A 63 -12.915 -2.305 9.153 1.00 0.00 H new ATOM 1010 N ASP A 64 -7.862 -2.318 10.440 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.576 -3.005 10.462 1.00 0.00 C ATOM 1012 C ASP A 64 -6.725 -4.398 9.858 1.00 0.00 C ATOM 1013 O ASP A 64 -5.828 -4.885 9.177 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.001 -3.079 11.886 1.00 0.00 C ATOM 1015 CG ASP A 64 -6.590 -4.198 12.726 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -7.772 -4.102 13.111 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -5.868 -5.176 13.014 1.00 0.00 O ATOM 0 H ASP A 64 -8.239 -2.081 11.357 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.869 -2.433 9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.921 -3.212 11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.177 -2.128 12.389 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.889 -5.006 10.078 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.218 -6.301 9.491 1.00 0.00 C ATOM 1024 C GLU A 65 -8.197 -6.188 7.965 1.00 0.00 C ATOM 1025 O GLU A 65 -7.566 -6.991 7.272 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.603 -6.739 9.994 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.953 -8.202 9.748 1.00 0.00 C ATOM 1028 CD GLU A 65 -10.286 -8.512 8.303 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -11.172 -7.841 7.733 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -9.671 -9.433 7.733 1.00 0.00 O ATOM 0 H GLU A 65 -8.626 -4.616 10.665 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.484 -7.051 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.661 -6.544 11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.359 -6.116 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.115 -8.825 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.803 -8.474 10.374 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.863 -5.156 7.460 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.932 -4.888 6.028 1.00 0.00 C ATOM 1039 C GLU A 66 -7.534 -4.665 5.451 1.00 0.00 C ATOM 1040 O GLU A 66 -7.145 -5.306 4.485 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.804 -3.654 5.780 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.935 -3.258 4.318 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.823 -4.191 3.520 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.988 -4.397 3.922 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.378 -4.690 2.465 1.00 0.00 O ATOM 0 H GLU A 66 -9.371 -4.481 8.032 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.373 -5.752 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.799 -3.841 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.388 -2.813 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.336 -2.246 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.944 -3.235 3.865 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.776 -3.769 6.065 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.470 -3.388 5.548 1.00 0.00 C ATOM 1054 C PHE A 67 -4.509 -4.575 5.572 1.00 0.00 C ATOM 1055 O PHE A 67 -3.764 -4.804 4.617 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.894 -2.226 6.365 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.772 -1.499 5.672 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.458 -1.915 5.813 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.039 -0.395 4.880 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.432 -1.246 5.173 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.019 0.277 4.238 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.714 -0.148 4.386 1.00 0.00 C ATOM 0 H PHE A 67 -7.044 -3.291 6.925 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.593 -3.067 4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.692 -1.518 6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.533 -2.608 7.320 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.233 -2.772 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.058 -0.056 4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.412 -1.582 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.241 1.135 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.914 0.378 3.886 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.536 -5.338 6.664 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.663 -6.501 6.802 1.00 0.00 C ATOM 1074 C ASN A 68 -3.993 -7.555 5.761 1.00 0.00 C ATOM 1075 O ASN A 68 -3.102 -8.266 5.289 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.774 -7.129 8.191 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.117 -6.302 9.278 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.162 -5.567 9.029 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.619 -6.430 10.499 1.00 0.00 N ATOM 0 H ASN A 68 -5.150 -5.172 7.462 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.643 -6.146 6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.827 -7.268 8.436 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.318 -8.119 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.212 -5.908 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.412 -7.051 10.662 1.00 0.00 H new ATOM 1086 N SER A 69 -5.269 -7.657 5.404 1.00 0.00 N ATOM 1087 CA SER A 69 -5.705 -8.667 4.456 1.00 0.00 C ATOM 1088 C SER A 69 -5.036 -8.446 3.101 1.00 0.00 C ATOM 1089 O SER A 69 -4.694 -9.403 2.406 1.00 0.00 O ATOM 1090 CB SER A 69 -7.235 -8.666 4.313 1.00 0.00 C ATOM 1091 OG SER A 69 -7.686 -7.609 3.485 1.00 0.00 O ATOM 0 H SER A 69 -6.013 -7.055 5.756 1.00 0.00 H new ATOM 0 HA SER A 69 -5.406 -9.644 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.562 -9.619 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.692 -8.576 5.298 1.00 0.00 H new ATOM 0 HG SER A 69 -7.448 -6.750 3.893 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.815 -7.181 2.745 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.196 -6.851 1.470 1.00 0.00 C ATOM 1099 C TRP A 70 -2.746 -7.309 1.464 1.00 0.00 C ATOM 1100 O TRP A 70 -2.320 -8.055 0.583 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.243 -5.343 1.207 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.602 -4.725 1.356 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.801 -5.371 1.453 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.894 -3.327 1.411 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.816 -4.461 1.592 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.287 -3.198 1.561 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.113 -2.171 1.356 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.912 -1.959 1.651 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.736 -0.942 1.446 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.123 -0.843 1.592 1.00 0.00 C ATOM 0 H TRP A 70 -5.055 -6.374 3.321 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.753 -7.363 0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.555 -4.846 1.892 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.880 -5.152 0.197 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.930 -6.443 1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.805 -4.687 1.701 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.041 -2.237 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.983 -1.881 1.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.141 -0.041 1.403 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.580 0.133 1.659 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.005 -6.875 2.477 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.572 -7.135 2.560 1.00 0.00 C ATOM 1123 C VAL A 71 -0.281 -8.627 2.696 1.00 0.00 C ATOM 1124 O VAL A 71 0.604 -9.153 2.026 1.00 0.00 O ATOM 1125 CB VAL A 71 0.067 -6.398 3.754 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.581 -6.531 3.731 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.344 -4.934 3.770 1.00 0.00 C ATOM 0 H VAL A 71 -2.377 -6.336 3.259 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.138 -6.765 1.631 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.299 -6.864 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.006 -6.002 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.855 -7.585 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.970 -6.102 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.119 -4.435 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.018 -4.454 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.428 -4.861 3.853 1.00 0.00 H new ATOM 1137 N SER A 72 -1.033 -9.308 3.553 1.00 0.00 N ATOM 1138 CA SER A 72 -0.786 -10.720 3.818 1.00 0.00 C ATOM 1139 C SER A 72 -1.131 -11.581 2.603 1.00 0.00 C ATOM 1140 O SER A 72 -0.496 -12.606 2.366 1.00 0.00 O ATOM 1141 CB SER A 72 -1.561 -11.184 5.056 1.00 0.00 C ATOM 1142 OG SER A 72 -2.946 -10.914 4.935 1.00 0.00 O ATOM 0 H SER A 72 -1.814 -8.908 4.073 1.00 0.00 H new ATOM 0 HA SER A 72 0.279 -10.841 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.409 -12.254 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.168 -10.683 5.941 1.00 0.00 H new ATOM 0 HG SER A 72 -3.124 -9.990 5.209 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.114 -11.147 1.818 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.481 -11.859 0.599 1.00 0.00 C ATOM 1150 C ALA A 73 -1.416 -11.657 -0.467 1.00 0.00 C ATOM 1151 O ALA A 73 -1.221 -12.504 -1.340 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.838 -11.393 0.092 1.00 0.00 C ATOM 0 H ALA A 73 -2.667 -10.310 2.003 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.550 -12.923 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.093 -11.937 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.595 -11.583 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.799 -10.325 -0.122 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.730 -10.529 -0.372 1.00 0.00 N ATOM 1159 CA LEU A 74 0.342 -10.191 -1.297 1.00 0.00 C ATOM 1160 C LEU A 74 1.646 -10.868 -0.890 1.00 0.00 C ATOM 1161 O LEU A 74 2.501 -11.153 -1.728 1.00 0.00 O ATOM 1162 CB LEU A 74 0.534 -8.674 -1.331 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.615 -7.890 -1.963 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.381 -6.399 -1.811 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.773 -8.264 -3.431 1.00 0.00 C ATOM 0 H LEU A 74 -0.899 -9.824 0.345 1.00 0.00 H new ATOM 0 HA LEU A 74 0.066 -10.547 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.678 -8.319 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.450 -8.451 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.539 -8.148 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.207 -5.853 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.318 -6.147 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.551 -6.125 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.596 -7.696 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.148 -8.034 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.985 -9.330 -3.514 1.00 0.00 H new ATOM 1177 N ALA A 75 1.788 -11.123 0.401 1.00 0.00 N ATOM 1178 CA ALA A 75 3.005 -11.708 0.937 1.00 0.00 C ATOM 1179 C ALA A 75 2.928 -13.223 0.932 1.00 0.00 C ATOM 1180 O ALA A 75 3.957 -13.901 0.933 1.00 0.00 O ATOM 1181 CB ALA A 75 3.254 -11.202 2.348 1.00 0.00 C ATOM 0 H ALA A 75 1.070 -10.932 1.100 1.00 0.00 H new ATOM 0 HA ALA A 75 3.836 -11.406 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.169 -11.648 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.357 -10.117 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.415 -11.478 2.987 1.00 0.00 H new ATOM 1187 N GLU A 76 1.696 -13.742 0.977 1.00 0.00 N ATOM 1188 CA GLU A 76 1.433 -15.185 0.941 1.00 0.00 C ATOM 1189 C GLU A 76 1.839 -15.855 2.257 1.00 0.00 C ATOM 1190 O GLU A 76 1.520 -17.017 2.500 1.00 0.00 O ATOM 1191 CB GLU A 76 2.161 -15.831 -0.241 1.00 0.00 C ATOM 1192 CG GLU A 76 1.780 -15.231 -1.582 1.00 0.00 C ATOM 1193 CD GLU A 76 2.698 -15.676 -2.696 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.848 -15.187 -2.755 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.272 -16.501 -3.533 1.00 0.00 O ATOM 0 H GLU A 76 0.852 -13.173 1.039 1.00 0.00 H new ATOM 0 HA GLU A 76 0.361 -15.330 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.236 -15.727 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.943 -16.899 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.756 -15.513 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.802 -14.144 -1.510 1.00 0.00 H new ATOM 1202 N HIS A 77 2.556 -15.113 3.094 1.00 0.00 N ATOM 1203 CA HIS A 77 3.003 -15.594 4.393 1.00 0.00 C ATOM 1204 C HIS A 77 2.774 -14.513 5.436 1.00 0.00 C ATOM 1205 O HIS A 77 3.350 -13.430 5.351 1.00 0.00 O ATOM 1206 CB HIS A 77 4.493 -15.967 4.360 1.00 0.00 C ATOM 1207 CG HIS A 77 4.822 -17.114 3.454 1.00 0.00 C ATOM 1208 ND1 HIS A 77 5.092 -18.385 3.917 1.00 0.00 N ATOM 1209 CD2 HIS A 77 4.932 -17.176 2.108 1.00 0.00 C ATOM 1210 CE1 HIS A 77 5.351 -19.177 2.890 1.00 0.00 C ATOM 1211 NE2 HIS A 77 5.260 -18.467 1.783 1.00 0.00 N ATOM 0 H HIS A 77 2.844 -14.156 2.888 1.00 0.00 H new ATOM 0 HA HIS A 77 2.431 -16.486 4.647 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.067 -15.095 4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.816 -16.214 5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.788 -16.359 1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.596 -20.227 2.948 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.409 -18.821 0.838 1.00 0.00 H new ATOM 1220 N GLY A 78 1.925 -14.800 6.410 1.00 0.00 N ATOM 1221 CA GLY A 78 1.622 -13.821 7.431 1.00 0.00 C ATOM 1222 C GLY A 78 1.737 -14.385 8.831 1.00 0.00 C ATOM 1223 O GLY A 78 0.761 -14.399 9.576 1.00 0.00 O ATOM 0 H GLY A 78 1.441 -15.692 6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.299 -12.973 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.611 -13.442 7.278 1.00 0.00 H new ATOM 1227 N LYS A 79 2.925 -14.856 9.188 1.00 0.00 N ATOM 1228 CA LYS A 79 3.162 -15.400 10.522 1.00 0.00 C ATOM 1229 C LYS A 79 4.364 -14.720 11.156 1.00 0.00 C ATOM 1230 O LYS A 79 4.246 -13.985 12.137 1.00 0.00 O ATOM 1231 CB LYS A 79 3.451 -16.904 10.466 1.00 0.00 C ATOM 1232 CG LYS A 79 2.486 -17.723 9.626 1.00 0.00 C ATOM 1233 CD LYS A 79 2.894 -19.185 9.637 1.00 0.00 C ATOM 1234 CE LYS A 79 4.336 -19.354 9.181 1.00 0.00 C ATOM 1235 NZ LYS A 79 4.932 -20.630 9.655 1.00 0.00 N ATOM 0 H LYS A 79 3.740 -14.873 8.574 1.00 0.00 H new ATOM 0 HA LYS A 79 2.261 -15.222 11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.458 -17.049 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.444 -17.296 11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.473 -17.617 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.475 -17.348 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.777 -19.591 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.233 -19.755 8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.377 -19.319 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.931 -18.519 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.914 -20.700 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.918 -20.654 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.381 -21.430 9.283 1.00 0.00 H new ATOM 1249 N ASP A 80 5.519 -14.988 10.561 1.00 0.00 N ATOM 1250 CA ASP A 80 6.808 -14.524 11.063 1.00 0.00 C ATOM 1251 C ASP A 80 6.888 -13.003 11.080 1.00 0.00 C ATOM 1252 O ASP A 80 7.626 -12.423 11.878 1.00 0.00 O ATOM 1253 CB ASP A 80 7.932 -15.072 10.174 1.00 0.00 C ATOM 1254 CG ASP A 80 7.756 -16.541 9.831 1.00 0.00 C ATOM 1255 OD1 ASP A 80 6.867 -16.858 9.011 1.00 0.00 O ATOM 1256 OD2 ASP A 80 8.516 -17.379 10.359 1.00 0.00 O ATOM 0 H ASP A 80 5.589 -15.540 9.706 1.00 0.00 H new ATOM 0 HA ASP A 80 6.918 -14.886 12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.974 -14.492 9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.887 -14.935 10.680 1.00 0.00 H new ATOM 1261 N ALA A 81 6.156 -12.379 10.153 1.00 0.00 N ATOM 1262 CA ALA A 81 6.119 -10.923 9.976 1.00 0.00 C ATOM 1263 C ALA A 81 7.371 -10.441 9.262 1.00 0.00 C ATOM 1264 O ALA A 81 7.334 -9.488 8.487 1.00 0.00 O ATOM 1265 CB ALA A 81 5.918 -10.191 11.299 1.00 0.00 C ATOM 0 H ALA A 81 5.562 -12.880 9.492 1.00 0.00 H new ATOM 0 HA ALA A 81 5.256 -10.688 9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.897 -9.116 11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.975 -10.503 11.748 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.738 -10.430 11.976 1.00 0.00 H new ATOM 1271 N LEU A 82 8.469 -11.140 9.493 1.00 0.00 N ATOM 1272 CA LEU A 82 9.730 -10.836 8.836 1.00 0.00 C ATOM 1273 C LEU A 82 9.796 -11.545 7.491 1.00 0.00 C ATOM 1274 O LEU A 82 10.670 -11.277 6.672 1.00 0.00 O ATOM 1275 CB LEU A 82 10.909 -11.261 9.713 1.00 0.00 C ATOM 1276 CG LEU A 82 11.036 -10.517 11.042 1.00 0.00 C ATOM 1277 CD1 LEU A 82 12.208 -11.062 11.845 1.00 0.00 C ATOM 1278 CD2 LEU A 82 11.199 -9.022 10.801 1.00 0.00 C ATOM 0 H LEU A 82 8.513 -11.930 10.137 1.00 0.00 H new ATOM 0 HA LEU A 82 9.790 -9.759 8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.821 -12.328 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.830 -11.121 9.148 1.00 0.00 H new ATOM 0 HG LEU A 82 10.123 -10.674 11.617 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.285 -10.522 12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.050 -12.122 12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.129 -10.933 11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.288 -8.507 11.757 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.096 -8.845 10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.329 -8.643 10.264 1.00 0.00 H new ATOM 1290 N LYS A 83 8.863 -12.464 7.285 1.00 0.00 N ATOM 1291 CA LYS A 83 8.751 -13.182 6.025 1.00 0.00 C ATOM 1292 C LYS A 83 7.625 -12.597 5.187 1.00 0.00 C ATOM 1293 O LYS A 83 7.223 -13.170 4.176 1.00 0.00 O ATOM 1294 CB LYS A 83 8.515 -14.675 6.271 1.00 0.00 C ATOM 1295 CG LYS A 83 9.799 -15.488 6.380 1.00 0.00 C ATOM 1296 CD LYS A 83 10.712 -14.992 7.491 1.00 0.00 C ATOM 1297 CE LYS A 83 12.009 -15.787 7.545 1.00 0.00 C ATOM 1298 NZ LYS A 83 11.778 -17.211 7.908 1.00 0.00 N ATOM 0 H LYS A 83 8.167 -12.731 7.982 1.00 0.00 H new ATOM 0 HA LYS A 83 9.688 -13.071 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.939 -14.796 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.909 -15.077 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.549 -16.534 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.333 -15.447 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.937 -13.937 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.197 -15.069 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.505 -15.736 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.682 -15.333 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.690 -17.673 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.180 -17.260 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.302 -17.697 7.121 1.00 0.00 H new ATOM 1312 N VAL A 84 7.110 -11.456 5.628 1.00 0.00 N ATOM 1313 CA VAL A 84 6.099 -10.735 4.876 1.00 0.00 C ATOM 1314 C VAL A 84 6.783 -9.819 3.872 1.00 0.00 C ATOM 1315 O VAL A 84 7.468 -8.877 4.263 1.00 0.00 O ATOM 1316 CB VAL A 84 5.184 -9.900 5.803 1.00 0.00 C ATOM 1317 CG1 VAL A 84 4.127 -9.156 5.000 1.00 0.00 C ATOM 1318 CG2 VAL A 84 4.530 -10.787 6.851 1.00 0.00 C ATOM 0 H VAL A 84 7.379 -11.012 6.506 1.00 0.00 H new ATOM 0 HA VAL A 84 5.473 -11.463 4.360 1.00 0.00 H new ATOM 0 HB VAL A 84 5.804 -9.162 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.497 -8.577 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.613 -8.485 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.512 -9.873 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.891 -10.181 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.929 -11.551 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.301 -11.266 7.455 1.00 0.00 H new ATOM 1328 N THR A 85 6.599 -10.116 2.591 1.00 0.00 N ATOM 1329 CA THR A 85 7.274 -9.415 1.502 1.00 0.00 C ATOM 1330 C THR A 85 7.295 -7.895 1.697 1.00 0.00 C ATOM 1331 O THR A 85 8.363 -7.281 1.766 1.00 0.00 O ATOM 1332 CB THR A 85 6.580 -9.741 0.167 1.00 0.00 C ATOM 1333 OG1 THR A 85 6.181 -11.119 0.159 1.00 0.00 O ATOM 1334 CG2 THR A 85 7.503 -9.474 -1.013 1.00 0.00 C ATOM 0 H THR A 85 5.972 -10.856 2.275 1.00 0.00 H new ATOM 0 HA THR A 85 8.308 -9.760 1.495 1.00 0.00 H new ATOM 0 HB THR A 85 5.705 -9.098 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.738 -11.326 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.985 -9.714 -1.942 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.791 -8.423 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.395 -10.094 -0.925 1.00 0.00 H new ATOM 1342 N ALA A 86 6.114 -7.295 1.817 1.00 0.00 N ATOM 1343 CA ALA A 86 5.997 -5.843 1.887 1.00 0.00 C ATOM 1344 C ALA A 86 6.444 -5.298 3.243 1.00 0.00 C ATOM 1345 O ALA A 86 6.800 -4.128 3.359 1.00 0.00 O ATOM 1346 CB ALA A 86 4.567 -5.418 1.593 1.00 0.00 C ATOM 0 H ALA A 86 5.225 -7.792 1.868 1.00 0.00 H new ATOM 0 HA ALA A 86 6.661 -5.423 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.492 -4.332 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.287 -5.751 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.896 -5.866 2.326 1.00 0.00 H new ATOM 1352 N LEU A 87 6.464 -6.153 4.253 1.00 0.00 N ATOM 1353 CA LEU A 87 6.769 -5.714 5.609 1.00 0.00 C ATOM 1354 C LEU A 87 8.270 -5.791 5.838 1.00 0.00 C ATOM 1355 O LEU A 87 8.871 -4.879 6.407 1.00 0.00 O ATOM 1356 CB LEU A 87 6.000 -6.571 6.630 1.00 0.00 C ATOM 1357 CG LEU A 87 5.861 -5.987 8.047 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.163 -6.093 8.826 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.399 -4.538 7.987 1.00 0.00 C ATOM 0 H LEU A 87 6.274 -7.151 4.162 1.00 0.00 H new ATOM 0 HA LEU A 87 6.452 -4.680 5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.000 -6.756 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.496 -7.539 6.706 1.00 0.00 H new ATOM 0 HG LEU A 87 5.108 -6.576 8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.027 -5.671 9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.451 -7.141 8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.946 -5.544 8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.307 -4.143 8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.127 -3.947 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.432 -4.485 7.487 1.00 0.00 H new ATOM 1371 N LYS A 88 8.872 -6.871 5.360 1.00 0.00 N ATOM 1372 CA LYS A 88 10.311 -7.050 5.450 1.00 0.00 C ATOM 1373 C LYS A 88 11.013 -5.921 4.714 1.00 0.00 C ATOM 1374 O LYS A 88 12.022 -5.394 5.178 1.00 0.00 O ATOM 1375 CB LYS A 88 10.730 -8.399 4.856 1.00 0.00 C ATOM 1376 CG LYS A 88 12.206 -8.700 5.041 1.00 0.00 C ATOM 1377 CD LYS A 88 12.627 -9.955 4.293 1.00 0.00 C ATOM 1378 CE LYS A 88 14.117 -10.222 4.458 1.00 0.00 C ATOM 1379 NZ LYS A 88 14.939 -9.028 4.110 1.00 0.00 N ATOM 0 H LYS A 88 8.381 -7.640 4.904 1.00 0.00 H new ATOM 0 HA LYS A 88 10.598 -7.034 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.143 -9.191 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.494 -8.409 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.796 -7.853 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.422 -8.821 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.059 -10.809 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.389 -9.847 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.321 -10.515 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.408 -11.060 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.834 -9.336 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.418 -8.432 3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.139 -8.481 4.972 1.00 0.00 H new ATOM 1393 N LYS A 89 10.452 -5.534 3.573 1.00 0.00 N ATOM 1394 CA LYS A 89 11.017 -4.443 2.791 1.00 0.00 C ATOM 1395 C LYS A 89 10.775 -3.107 3.480 1.00 0.00 C ATOM 1396 O LYS A 89 11.636 -2.234 3.468 1.00 0.00 O ATOM 1397 CB LYS A 89 10.436 -4.436 1.377 1.00 0.00 C ATOM 1398 CG LYS A 89 10.820 -5.669 0.578 1.00 0.00 C ATOM 1399 CD LYS A 89 10.233 -5.641 -0.822 1.00 0.00 C ATOM 1400 CE LYS A 89 10.646 -6.869 -1.615 1.00 0.00 C ATOM 1401 NZ LYS A 89 10.105 -6.850 -2.996 1.00 0.00 N ATOM 0 H LYS A 89 9.614 -5.956 3.173 1.00 0.00 H new ATOM 0 HA LYS A 89 12.093 -4.597 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.350 -4.370 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.781 -3.546 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.906 -5.737 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.474 -6.562 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.146 -5.592 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.565 -4.741 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.734 -6.926 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.297 -7.765 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.411 -7.706 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.066 -6.822 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.458 -6.009 -3.496 1.00 0.00 H new ATOM 1415 N TYR A 90 9.615 -2.973 4.113 1.00 0.00 N ATOM 1416 CA TYR A 90 9.270 -1.765 4.859 1.00 0.00 C ATOM 1417 C TYR A 90 10.166 -1.629 6.097 1.00 0.00 C ATOM 1418 O TYR A 90 10.225 -0.577 6.735 1.00 0.00 O ATOM 1419 CB TYR A 90 7.790 -1.823 5.263 1.00 0.00 C ATOM 1420 CG TYR A 90 7.231 -0.549 5.867 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.997 0.574 5.082 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.919 -0.478 7.218 1.00 0.00 C ATOM 1423 CE1 TYR A 90 6.471 1.732 5.630 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.390 0.672 7.770 1.00 0.00 C ATOM 1425 CZ TYR A 90 6.167 1.773 6.974 1.00 0.00 C ATOM 1426 OH TYR A 90 5.633 2.919 7.526 1.00 0.00 O ATOM 0 H TYR A 90 8.891 -3.692 4.125 1.00 0.00 H new ATOM 0 HA TYR A 90 9.432 -0.891 4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.200 -2.077 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.658 -2.633 5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.229 0.543 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.093 -1.337 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.300 2.598 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.152 0.708 8.823 1.00 0.00 H new ATOM 0 HH TYR A 90 5.477 2.779 8.483 1.00 0.00 H new ATOM 1436 N ARG A 91 10.858 -2.708 6.434 1.00 0.00 N ATOM 1437 CA ARG A 91 11.815 -2.701 7.531 1.00 0.00 C ATOM 1438 C ARG A 91 13.237 -2.497 7.011 1.00 0.00 C ATOM 1439 O ARG A 91 13.960 -1.616 7.474 1.00 0.00 O ATOM 1440 CB ARG A 91 11.728 -4.014 8.316 1.00 0.00 C ATOM 1441 CG ARG A 91 10.436 -4.173 9.103 1.00 0.00 C ATOM 1442 CD ARG A 91 10.411 -3.258 10.316 1.00 0.00 C ATOM 1443 NE ARG A 91 11.386 -3.669 11.327 1.00 0.00 N ATOM 1444 CZ ARG A 91 12.348 -2.885 11.814 1.00 0.00 C ATOM 1445 NH1 ARG A 91 12.491 -1.642 11.373 1.00 0.00 N ATOM 1446 NH2 ARG A 91 13.170 -3.359 12.740 1.00 0.00 N ATOM 0 H ARG A 91 10.773 -3.607 5.959 1.00 0.00 H new ATOM 0 HA ARG A 91 11.568 -1.871 8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.825 -4.849 7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.571 -4.072 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.586 -3.949 8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.329 -5.209 9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.620 -2.235 10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.412 -3.260 10.752 1.00 0.00 H new ATOM 0 HE ARG A 91 11.325 -4.622 11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.862 -1.280 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.230 -1.049 11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.064 -4.317 13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.909 -2.766 13.118 1.00 0.00 H new ATOM 1460 N GLN A 92 13.619 -3.306 6.027 1.00 0.00 N ATOM 1461 CA GLN A 92 14.985 -3.314 5.507 1.00 0.00 C ATOM 1462 C GLN A 92 15.315 -2.027 4.746 1.00 0.00 C ATOM 1463 O GLN A 92 16.456 -1.563 4.759 1.00 0.00 O ATOM 1464 CB GLN A 92 15.172 -4.533 4.603 1.00 0.00 C ATOM 1465 CG GLN A 92 16.580 -4.699 4.059 1.00 0.00 C ATOM 1466 CD GLN A 92 16.770 -6.019 3.336 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.168 -7.018 3.938 1.00 0.00 O ATOM 1468 NE2 GLN A 92 16.470 -6.042 2.047 1.00 0.00 N ATOM 0 H GLN A 92 12.996 -3.971 5.569 1.00 0.00 H new ATOM 0 HA GLN A 92 15.673 -3.370 6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.903 -5.429 5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.478 -4.459 3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.801 -3.879 3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.294 -4.632 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.143 -5.194 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.565 -6.908 1.517 1.00 0.00 H new ATOM 1477 N LEU A 93 14.312 -1.450 4.099 1.00 0.00 N ATOM 1478 CA LEU A 93 14.505 -0.236 3.307 1.00 0.00 C ATOM 1479 C LEU A 93 14.900 0.943 4.194 1.00 0.00 C ATOM 1480 O LEU A 93 15.585 1.865 3.747 1.00 0.00 O ATOM 1481 CB LEU A 93 13.215 0.103 2.550 1.00 0.00 C ATOM 1482 CG LEU A 93 13.311 1.264 1.561 1.00 0.00 C ATOM 1483 CD1 LEU A 93 14.201 0.891 0.388 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.925 1.664 1.073 1.00 0.00 C ATOM 0 H LEU A 93 13.354 -1.801 4.105 1.00 0.00 H new ATOM 0 HA LEU A 93 15.312 -0.420 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.890 -0.785 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.438 0.334 3.279 1.00 0.00 H new ATOM 0 HG LEU A 93 13.756 2.117 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.258 1.729 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.201 0.652 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.784 0.024 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.012 2.492 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.455 0.815 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.315 1.972 1.922 1.00 0.00 H new ATOM 1496 N LEU A 94 14.485 0.895 5.453 1.00 0.00 N ATOM 1497 CA LEU A 94 14.674 2.016 6.363 1.00 0.00 C ATOM 1498 C LEU A 94 16.011 1.939 7.090 1.00 0.00 C ATOM 1499 O LEU A 94 16.231 2.656 8.068 1.00 0.00 O ATOM 1500 CB LEU A 94 13.526 2.090 7.380 1.00 0.00 C ATOM 1501 CG LEU A 94 12.250 2.793 6.898 1.00 0.00 C ATOM 1502 CD1 LEU A 94 11.617 2.053 5.729 1.00 0.00 C ATOM 1503 CD2 LEU A 94 11.254 2.929 8.040 1.00 0.00 C ATOM 0 H LEU A 94 14.015 0.090 5.867 1.00 0.00 H new ATOM 0 HA LEU A 94 14.674 2.923 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.267 1.075 7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 13.887 2.605 8.270 1.00 0.00 H new ATOM 0 HG LEU A 94 12.528 3.789 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.715 2.577 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 94 12.323 2.011 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.358 1.040 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.355 3.430 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.993 1.939 8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.700 3.516 8.843 1.00 0.00 H new ATOM 1515 N GLU A 95 16.905 1.074 6.623 1.00 0.00 N ATOM 1516 CA GLU A 95 18.252 1.027 7.168 1.00 0.00 C ATOM 1517 C GLU A 95 18.964 2.341 6.863 1.00 0.00 C ATOM 1518 O GLU A 95 19.358 2.598 5.729 1.00 0.00 O ATOM 1519 CB GLU A 95 19.040 -0.156 6.592 1.00 0.00 C ATOM 1520 CG GLU A 95 20.461 -0.255 7.125 1.00 0.00 C ATOM 1521 CD GLU A 95 21.209 -1.456 6.592 1.00 0.00 C ATOM 1522 OE1 GLU A 95 21.660 -1.414 5.430 1.00 0.00 O ATOM 1523 OE2 GLU A 95 21.352 -2.450 7.336 1.00 0.00 O ATOM 0 H GLU A 95 16.722 0.404 5.876 1.00 0.00 H new ATOM 0 HA GLU A 95 18.191 0.888 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.510 -1.081 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.073 -0.066 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 95 21.006 0.652 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.432 -0.305 8.213 1.00 0.00 H new ATOM 1530 N HIS A 96 19.097 3.187 7.876 1.00 0.00 N ATOM 1531 CA HIS A 96 19.687 4.507 7.695 1.00 0.00 C ATOM 1532 C HIS A 96 21.189 4.394 7.478 1.00 0.00 C ATOM 1533 O HIS A 96 21.798 5.236 6.816 1.00 0.00 O ATOM 1534 CB HIS A 96 19.379 5.402 8.900 1.00 0.00 C ATOM 1535 CG HIS A 96 17.919 5.687 9.077 1.00 0.00 C ATOM 1536 ND1 HIS A 96 17.312 5.793 10.311 1.00 0.00 N ATOM 1537 CD2 HIS A 96 16.943 5.901 8.163 1.00 0.00 C ATOM 1538 CE1 HIS A 96 16.029 6.061 10.144 1.00 0.00 C ATOM 1539 NE2 HIS A 96 15.780 6.131 8.851 1.00 0.00 N ATOM 0 H HIS A 96 18.804 2.983 8.832 1.00 0.00 H new ATOM 0 HA HIS A 96 19.247 4.964 6.809 1.00 0.00 H new ATOM 0 HB2 HIS A 96 19.760 4.925 9.803 1.00 0.00 H new ATOM 0 HB3 HIS A 96 19.914 6.345 8.788 1.00 0.00 H new ATOM 0 HD2 HIS A 96 17.060 5.892 7.089 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.306 6.199 10.934 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.871 6.325 8.431 1.00 0.00 H new ATOM 1548 N HIS A 97 21.781 3.340 8.017 1.00 0.00 N ATOM 1549 CA HIS A 97 23.208 3.104 7.851 1.00 0.00 C ATOM 1550 C HIS A 97 23.466 2.276 6.599 1.00 0.00 C ATOM 1551 O HIS A 97 23.785 1.089 6.681 1.00 0.00 O ATOM 1552 CB HIS A 97 23.796 2.402 9.080 1.00 0.00 C ATOM 1553 CG HIS A 97 23.797 3.247 10.313 1.00 0.00 C ATOM 1554 ND1 HIS A 97 24.946 3.764 10.866 1.00 0.00 N ATOM 1555 CD2 HIS A 97 22.783 3.660 11.106 1.00 0.00 C ATOM 1556 CE1 HIS A 97 24.640 4.457 11.945 1.00 0.00 C ATOM 1557 NE2 HIS A 97 23.332 4.410 12.114 1.00 0.00 N ATOM 0 H HIS A 97 21.297 2.635 8.573 1.00 0.00 H new ATOM 0 HA HIS A 97 23.700 4.071 7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 97 23.228 1.493 9.274 1.00 0.00 H new ATOM 0 HB3 HIS A 97 24.819 2.097 8.858 1.00 0.00 H new ATOM 0 HD2 HIS A 97 21.734 3.440 10.971 1.00 0.00 H new ATOM 0 HE1 HIS A 97 25.341 4.975 12.583 1.00 0.00 H new ATOM 0 HE2 HIS A 97 22.814 4.858 12.870 1.00 0.00 H new ATOM 1566 N HIS A 98 23.321 2.906 5.438 1.00 0.00 N ATOM 1567 CA HIS A 98 23.487 2.212 4.166 1.00 0.00 C ATOM 1568 C HIS A 98 24.956 2.066 3.792 1.00 0.00 C ATOM 1569 O HIS A 98 25.282 1.480 2.760 1.00 0.00 O ATOM 1570 CB HIS A 98 22.732 2.920 3.039 1.00 0.00 C ATOM 1571 CG HIS A 98 21.277 2.558 2.955 1.00 0.00 C ATOM 1572 ND1 HIS A 98 20.832 1.258 2.840 1.00 0.00 N ATOM 1573 CD2 HIS A 98 20.165 3.332 2.957 1.00 0.00 C ATOM 1574 CE1 HIS A 98 19.515 1.247 2.774 1.00 0.00 C ATOM 1575 NE2 HIS A 98 19.081 2.491 2.843 1.00 0.00 N ATOM 0 H HIS A 98 23.089 3.895 5.352 1.00 0.00 H new ATOM 0 HA HIS A 98 23.064 1.216 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 98 22.820 3.998 3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 98 23.210 2.681 2.089 1.00 0.00 H new ATOM 0 HD2 HIS A 98 20.135 4.409 3.034 1.00 0.00 H new ATOM 0 HE1 HIS A 98 18.896 0.367 2.679 1.00 0.00 H new ATOM 0 HE2 HIS A 98 18.104 2.782 2.816 1.00 0.00 H new ATOM 1584 N HIS A 99 25.846 2.605 4.615 1.00 0.00 N ATOM 1585 CA HIS A 99 27.269 2.384 4.412 1.00 0.00 C ATOM 1586 C HIS A 99 27.576 0.921 4.700 1.00 0.00 C ATOM 1587 O HIS A 99 28.350 0.291 3.985 1.00 0.00 O ATOM 1588 CB HIS A 99 28.101 3.294 5.320 1.00 0.00 C ATOM 1589 CG HIS A 99 29.547 3.376 4.937 1.00 0.00 C ATOM 1590 ND1 HIS A 99 30.547 2.682 5.587 1.00 0.00 N ATOM 1591 CD2 HIS A 99 30.166 4.094 3.967 1.00 0.00 C ATOM 1592 CE1 HIS A 99 31.712 2.969 5.033 1.00 0.00 C ATOM 1593 NE2 HIS A 99 31.509 3.821 4.049 1.00 0.00 N ATOM 0 H HIS A 99 25.612 3.190 5.417 1.00 0.00 H new ATOM 0 HA HIS A 99 27.530 2.624 3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 99 27.673 4.297 5.303 1.00 0.00 H new ATOM 0 HB3 HIS A 99 28.027 2.933 6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 99 29.690 4.758 3.260 1.00 0.00 H new ATOM 0 HE1 HIS A 99 32.670 2.572 5.336 1.00 0.00 H new ATOM 0 HE2 HIS A 99 32.232 4.214 3.446 1.00 0.00 H new ATOM 1602 N HIS A 100 26.929 0.409 5.753 1.00 0.00 N ATOM 1603 CA HIS A 100 26.971 -1.005 6.137 1.00 0.00 C ATOM 1604 C HIS A 100 28.406 -1.539 6.199 1.00 0.00 C ATOM 1605 O HIS A 100 29.074 -1.423 7.226 1.00 0.00 O ATOM 1606 CB HIS A 100 26.110 -1.825 5.170 1.00 0.00 C ATOM 1607 CG HIS A 100 25.541 -3.077 5.767 1.00 0.00 C ATOM 1608 ND1 HIS A 100 25.496 -4.276 5.091 1.00 0.00 N ATOM 1609 CD2 HIS A 100 24.971 -3.306 6.975 1.00 0.00 C ATOM 1610 CE1 HIS A 100 24.924 -5.189 5.857 1.00 0.00 C ATOM 1611 NE2 HIS A 100 24.599 -4.626 7.003 1.00 0.00 N ATOM 0 H HIS A 100 26.351 0.977 6.373 1.00 0.00 H new ATOM 0 HA HIS A 100 26.563 -1.101 7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 100 25.291 -1.201 4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 100 26.712 -2.091 4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 100 24.835 -2.585 7.767 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.752 -6.221 5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 100 24.144 -5.096 7.785 1.00 0.00 H new ATOM 1620 N HIS A 101 28.880 -2.111 5.103 1.00 0.00 N ATOM 1621 CA HIS A 101 30.262 -2.550 4.999 1.00 0.00 C ATOM 1622 C HIS A 101 30.662 -2.691 3.537 1.00 0.00 C ATOM 1623 O HIS A 101 30.169 -3.613 2.861 1.00 0.00 O ATOM 1624 CB HIS A 101 30.530 -3.854 5.782 1.00 0.00 C ATOM 1625 CG HIS A 101 29.546 -4.968 5.561 1.00 0.00 C ATOM 1626 ND1 HIS A 101 29.391 -5.624 4.362 1.00 0.00 N ATOM 1627 CD2 HIS A 101 28.686 -5.559 6.419 1.00 0.00 C ATOM 1628 CE1 HIS A 101 28.482 -6.568 4.492 1.00 0.00 C ATOM 1629 NE2 HIS A 101 28.036 -6.554 5.736 1.00 0.00 N ATOM 1630 OXT HIS A 101 31.471 -1.869 3.067 1.00 0.00 O ATOM 0 H HIS A 101 28.322 -2.283 4.267 1.00 0.00 H new ATOM 0 HA HIS A 101 30.884 -1.783 5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 101 31.524 -4.216 5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 101 30.549 -3.618 6.846 1.00 0.00 H new ATOM 0 HD1 HIS A 101 29.901 -5.412 3.505 1.00 0.00 H new ATOM 0 HD2 HIS A 101 28.537 -5.295 7.456 1.00 0.00 H new ATOM 0 HE1 HIS A 101 28.156 -7.241 3.713 1.00 0.00 H new TER 1639 HIS A 101