USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 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 68 HIS : no HD1:sc= -0.047 X(o=-0.32,f=-0.015) USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.269 X(o=-0.32,f=-0.015) USER MOD Single : A 1 MET CE :methyl -129:sc= -1.22 (180deg=-2.6) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.0789 (180deg=0.0617) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 6 ASN : amide:sc= -0.0708 K(o=-0.071,f=-0.69) USER MOD Single : A 9 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.86) USER MOD Single : A 14 SER OG : rot -70:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -132:sc= -0.801 (180deg=-3.33!) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.379 USER MOD Single : A 26 CYS SG : rot 55:sc= -1.21 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 30 HIS : no HE2:sc= -0.433 X(o=-0.43,f=-0.04) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.265 K(o=0.27,f=-4!) USER MOD Single : A 37 TYR OH : rot 47:sc= 0.172 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 51 THR OG1 : rot -24:sc= 0.205 USER MOD Single : A 60 THR OG1 : rot -63:sc= 0.411 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.604 10.875 -1.087 1.00 0.00 N ATOM 2 CA MET A 1 7.102 9.855 -2.042 1.00 0.00 C ATOM 3 C MET A 1 6.047 9.587 -3.115 1.00 0.00 C ATOM 4 O MET A 1 4.941 9.146 -2.786 1.00 0.00 O ATOM 5 CB MET A 1 7.461 8.539 -1.305 1.00 0.00 C ATOM 6 CG MET A 1 8.689 8.632 -0.396 1.00 0.00 C ATOM 7 SD MET A 1 9.016 7.097 0.485 1.00 0.00 S ATOM 8 CE MET A 1 7.487 6.910 1.394 1.00 0.00 C ATOM 0 H1 MET A 1 7.367 11.139 -0.432 1.00 0.00 H new ATOM 0 H2 MET A 1 6.290 11.717 -1.611 1.00 0.00 H new ATOM 0 H3 MET A 1 5.805 10.485 -0.548 1.00 0.00 H new ATOM 0 HA MET A 1 8.006 10.238 -2.516 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.605 8.228 -0.706 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.632 7.758 -2.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.561 8.896 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.543 9.436 0.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.709 6.739 2.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.890 7.816 1.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.930 6.061 0.998 1.00 0.00 H new ATOM 20 N LEU A 2 6.393 9.831 -4.399 1.00 0.00 N ATOM 21 CA LEU A 2 5.467 9.602 -5.519 1.00 0.00 C ATOM 22 C LEU A 2 5.449 8.097 -5.860 1.00 0.00 C ATOM 23 O LEU A 2 6.401 7.565 -6.440 1.00 0.00 O ATOM 24 CB LEU A 2 5.850 10.439 -6.774 1.00 0.00 C ATOM 25 CG LEU A 2 4.879 10.288 -8.000 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.454 10.778 -7.657 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.440 11.007 -9.247 1.00 0.00 C ATOM 0 H LEU A 2 7.307 10.186 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 2 4.472 9.926 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.891 11.491 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.854 10.154 -7.089 1.00 0.00 H new ATOM 0 HG LEU A 2 4.808 9.226 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.809 10.659 -8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.057 10.191 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.489 11.830 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.747 10.886 -10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.564 12.068 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.405 10.575 -9.512 1.00 0.00 H new ATOM 39 N VAL A 3 4.375 7.428 -5.431 1.00 0.00 N ATOM 40 CA VAL A 3 4.131 5.994 -5.683 1.00 0.00 C ATOM 41 C VAL A 3 2.819 5.837 -6.475 1.00 0.00 C ATOM 42 O VAL A 3 1.939 6.687 -6.393 1.00 0.00 O ATOM 43 CB VAL A 3 4.051 5.180 -4.337 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.379 5.261 -3.556 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.867 5.650 -3.463 1.00 0.00 C ATOM 0 H VAL A 3 3.634 7.871 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 3 4.965 5.595 -6.261 1.00 0.00 H new ATOM 0 HB VAL A 3 3.877 4.136 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.293 4.690 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.184 4.849 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.599 6.302 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.841 5.068 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.990 6.706 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.934 5.509 -4.008 1.00 0.00 H new ATOM 55 N THR A 4 2.714 4.769 -7.264 1.00 0.00 N ATOM 56 CA THR A 4 1.500 4.446 -8.018 1.00 0.00 C ATOM 57 C THR A 4 0.541 3.626 -7.128 1.00 0.00 C ATOM 58 O THR A 4 0.798 2.455 -6.844 1.00 0.00 O ATOM 59 CB THR A 4 1.865 3.661 -9.317 1.00 0.00 C ATOM 60 OG1 THR A 4 2.836 4.402 -10.078 1.00 0.00 O ATOM 61 CG2 THR A 4 0.636 3.405 -10.197 1.00 0.00 C ATOM 0 H THR A 4 3.471 4.099 -7.400 1.00 0.00 H new ATOM 0 HA THR A 4 0.999 5.369 -8.312 1.00 0.00 H new ATOM 0 HB THR A 4 2.273 2.698 -9.011 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.063 3.905 -10.891 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.936 2.856 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.095 2.819 -9.640 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.192 4.357 -10.488 1.00 0.00 H new ATOM 69 N ILE A 5 -0.547 4.262 -6.664 1.00 0.00 N ATOM 70 CA ILE A 5 -1.549 3.612 -5.796 1.00 0.00 C ATOM 71 C ILE A 5 -2.783 3.180 -6.615 1.00 0.00 C ATOM 72 O ILE A 5 -3.575 4.030 -7.039 1.00 0.00 O ATOM 73 CB ILE A 5 -2.001 4.536 -4.610 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.769 4.966 -3.759 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.078 3.829 -3.733 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.079 5.951 -2.654 1.00 0.00 C ATOM 0 H ILE A 5 -0.758 5.237 -6.877 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.068 2.732 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.456 5.435 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.320 4.076 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.023 5.406 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.375 4.490 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.949 3.594 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.665 2.908 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.163 6.193 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.498 6.861 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.800 5.510 -1.965 1.00 0.00 H new ATOM 88 N ASN A 6 -2.903 1.850 -6.851 1.00 0.00 N ATOM 89 CA ASN A 6 -4.061 1.213 -7.522 1.00 0.00 C ATOM 90 C ASN A 6 -4.143 1.652 -9.013 1.00 0.00 C ATOM 91 O ASN A 6 -5.183 1.542 -9.659 1.00 0.00 O ATOM 92 CB ASN A 6 -5.372 1.509 -6.707 1.00 0.00 C ATOM 93 CG ASN A 6 -6.591 0.680 -7.130 1.00 0.00 C ATOM 94 OD1 ASN A 6 -6.461 -0.449 -7.597 1.00 0.00 O ATOM 95 ND2 ASN A 6 -7.785 1.219 -6.935 1.00 0.00 N ATOM 0 H ASN A 6 -2.185 1.180 -6.575 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.934 0.131 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.175 1.328 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.616 2.566 -6.809 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.627 0.695 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.863 2.159 -6.546 1.00 0.00 H new ATOM 102 N GLY A 7 -2.981 2.072 -9.567 1.00 0.00 N ATOM 103 CA GLY A 7 -2.900 2.634 -10.920 1.00 0.00 C ATOM 104 C GLY A 7 -2.927 4.162 -10.944 1.00 0.00 C ATOM 105 O GLY A 7 -2.562 4.768 -11.952 1.00 0.00 O ATOM 0 H GLY A 7 -2.083 2.028 -9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.983 2.286 -11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.731 2.254 -11.514 1.00 0.00 H new ATOM 109 N GLU A 8 -3.337 4.784 -9.824 1.00 0.00 N ATOM 110 CA GLU A 8 -3.389 6.254 -9.683 1.00 0.00 C ATOM 111 C GLU A 8 -2.132 6.738 -8.950 1.00 0.00 C ATOM 112 O GLU A 8 -1.980 6.478 -7.752 1.00 0.00 O ATOM 113 CB GLU A 8 -4.658 6.691 -8.896 1.00 0.00 C ATOM 114 CG GLU A 8 -5.987 6.243 -9.534 1.00 0.00 C ATOM 115 CD GLU A 8 -6.215 6.831 -10.939 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.518 8.041 -11.047 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.091 6.089 -11.937 1.00 0.00 O ATOM 0 H GLU A 8 -3.642 4.283 -8.990 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.433 6.700 -10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.600 6.288 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.660 7.777 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.004 5.155 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.812 6.539 -8.885 1.00 0.00 H new ATOM 124 N GLN A 9 -1.233 7.436 -9.663 1.00 0.00 N ATOM 125 CA GLN A 9 0.038 7.906 -9.075 1.00 0.00 C ATOM 126 C GLN A 9 -0.228 9.064 -8.090 1.00 0.00 C ATOM 127 O GLN A 9 -0.664 10.147 -8.491 1.00 0.00 O ATOM 128 CB GLN A 9 1.051 8.349 -10.166 1.00 0.00 C ATOM 129 CG GLN A 9 1.338 7.293 -11.253 1.00 0.00 C ATOM 130 CD GLN A 9 2.450 7.676 -12.243 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.121 6.804 -12.803 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.662 8.966 -12.478 1.00 0.00 N ATOM 0 H GLN A 9 -1.359 7.688 -10.643 1.00 0.00 H new ATOM 0 HA GLN A 9 0.482 7.069 -8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.673 9.251 -10.647 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.991 8.616 -9.682 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.610 6.356 -10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.421 7.108 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.096 9.670 -12.005 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.391 9.252 -13.132 1.00 0.00 H new ATOM 141 N ARG A 10 0.048 8.813 -6.812 1.00 0.00 N ATOM 142 CA ARG A 10 -0.199 9.750 -5.711 1.00 0.00 C ATOM 143 C ARG A 10 1.070 9.857 -4.839 1.00 0.00 C ATOM 144 O ARG A 10 1.780 8.862 -4.639 1.00 0.00 O ATOM 145 CB ARG A 10 -1.401 9.242 -4.857 1.00 0.00 C ATOM 146 CG ARG A 10 -1.641 10.060 -3.568 1.00 0.00 C ATOM 147 CD ARG A 10 -2.712 9.476 -2.652 1.00 0.00 C ATOM 148 NE ARG A 10 -2.755 10.179 -1.361 1.00 0.00 N ATOM 149 CZ ARG A 10 -2.165 9.761 -0.234 1.00 0.00 C ATOM 150 NH1 ARG A 10 -1.470 8.628 -0.211 1.00 0.00 N ATOM 151 NH2 ARG A 10 -2.262 10.476 0.863 1.00 0.00 N ATOM 0 H ARG A 10 0.459 7.932 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.441 10.735 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.304 9.269 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.229 8.200 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.704 10.131 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.927 11.075 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.685 9.544 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.513 8.417 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.276 11.055 -1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.382 8.067 -1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.025 8.320 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.787 11.350 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.812 10.157 1.721 1.00 0.00 H new ATOM 165 N GLU A 11 1.347 11.064 -4.321 1.00 0.00 N ATOM 166 CA GLU A 11 2.422 11.278 -3.345 1.00 0.00 C ATOM 167 C GLU A 11 1.894 10.882 -1.947 1.00 0.00 C ATOM 168 O GLU A 11 0.732 11.152 -1.617 1.00 0.00 O ATOM 169 CB GLU A 11 2.904 12.759 -3.373 1.00 0.00 C ATOM 170 CG GLU A 11 1.866 13.801 -2.891 1.00 0.00 C ATOM 171 CD GLU A 11 2.439 15.220 -2.760 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.258 15.456 -1.849 1.00 0.00 O ATOM 173 OE2 GLU A 11 2.081 16.108 -3.566 1.00 0.00 O ATOM 0 H GLU A 11 0.835 11.912 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 11 3.284 10.659 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.796 12.845 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.199 13.009 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.029 13.819 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.469 13.487 -1.926 1.00 0.00 H new ATOM 180 N VAL A 12 2.719 10.187 -1.147 1.00 0.00 N ATOM 181 CA VAL A 12 2.321 9.710 0.197 1.00 0.00 C ATOM 182 C VAL A 12 3.140 10.392 1.292 1.00 0.00 C ATOM 183 O VAL A 12 4.264 10.841 1.050 1.00 0.00 O ATOM 184 CB VAL A 12 2.476 8.148 0.312 1.00 0.00 C ATOM 185 CG1 VAL A 12 1.590 7.447 -0.729 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.956 7.699 0.171 1.00 0.00 C ATOM 0 H VAL A 12 3.674 9.939 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 12 1.271 9.970 0.334 1.00 0.00 H new ATOM 0 HB VAL A 12 2.147 7.855 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.707 6.367 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.547 7.715 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.886 7.761 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.017 6.614 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.339 8.008 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.552 8.159 0.959 1.00 0.00 H new ATOM 196 N GLN A 13 2.537 10.491 2.487 1.00 0.00 N ATOM 197 CA GLN A 13 3.229 10.895 3.720 1.00 0.00 C ATOM 198 C GLN A 13 3.712 9.623 4.438 1.00 0.00 C ATOM 199 O GLN A 13 4.808 9.589 5.001 1.00 0.00 O ATOM 200 CB GLN A 13 2.295 11.716 4.666 1.00 0.00 C ATOM 201 CG GLN A 13 1.737 13.050 4.106 1.00 0.00 C ATOM 202 CD GLN A 13 0.760 12.897 2.931 1.00 0.00 C ATOM 203 OE1 GLN A 13 1.153 12.938 1.761 1.00 0.00 O ATOM 204 NE2 GLN A 13 -0.515 12.684 3.223 1.00 0.00 N ATOM 0 H GLN A 13 1.546 10.291 2.625 1.00 0.00 H new ATOM 0 HA GLN A 13 4.070 11.537 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.451 11.084 4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.845 11.935 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.233 13.584 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.573 13.672 3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.817 12.654 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.194 12.550 2.474 1.00 0.00 H new ATOM 213 N SER A 14 2.863 8.575 4.390 1.00 0.00 N ATOM 214 CA SER A 14 3.132 7.269 5.017 1.00 0.00 C ATOM 215 C SER A 14 4.311 6.543 4.345 1.00 0.00 C ATOM 216 O SER A 14 4.268 6.264 3.139 1.00 0.00 O ATOM 217 CB SER A 14 1.876 6.390 4.925 1.00 0.00 C ATOM 218 OG SER A 14 0.778 6.996 5.564 1.00 0.00 O ATOM 0 H SER A 14 1.964 8.615 3.910 1.00 0.00 H new ATOM 0 HA SER A 14 3.397 7.447 6.059 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.634 6.207 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.075 5.420 5.381 1.00 0.00 H new ATOM 0 HG SER A 14 0.921 6.993 6.533 1.00 0.00 H new ATOM 224 N ALA A 15 5.354 6.260 5.137 1.00 0.00 N ATOM 225 CA ALA A 15 6.512 5.451 4.711 1.00 0.00 C ATOM 226 C ALA A 15 6.349 3.969 5.118 1.00 0.00 C ATOM 227 O ALA A 15 7.228 3.155 4.832 1.00 0.00 O ATOM 228 CB ALA A 15 7.816 6.043 5.281 1.00 0.00 C ATOM 0 H ALA A 15 5.422 6.587 6.101 1.00 0.00 H new ATOM 0 HA ALA A 15 6.564 5.482 3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.662 5.436 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.942 7.063 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.767 6.049 6.370 1.00 0.00 H new ATOM 234 N SER A 16 5.231 3.625 5.795 1.00 0.00 N ATOM 235 CA SER A 16 4.866 2.232 6.140 1.00 0.00 C ATOM 236 C SER A 16 3.491 1.911 5.542 1.00 0.00 C ATOM 237 O SER A 16 2.644 2.807 5.425 1.00 0.00 O ATOM 238 CB SER A 16 4.848 2.045 7.677 1.00 0.00 C ATOM 239 OG SER A 16 3.886 2.894 8.288 1.00 0.00 O ATOM 0 H SER A 16 4.551 4.312 6.120 1.00 0.00 H new ATOM 0 HA SER A 16 5.607 1.548 5.726 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.624 1.006 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.836 2.260 8.083 1.00 0.00 H new ATOM 0 HG SER A 16 3.895 2.754 9.258 1.00 0.00 H new ATOM 245 N VAL A 17 3.288 0.633 5.166 1.00 0.00 N ATOM 246 CA VAL A 17 2.052 0.164 4.509 1.00 0.00 C ATOM 247 C VAL A 17 0.841 0.203 5.481 1.00 0.00 C ATOM 248 O VAL A 17 -0.276 0.435 5.045 1.00 0.00 O ATOM 249 CB VAL A 17 2.237 -1.285 3.890 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.935 -1.822 3.247 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.392 -1.311 2.860 1.00 0.00 C ATOM 0 H VAL A 17 3.978 -0.104 5.310 1.00 0.00 H new ATOM 0 HA VAL A 17 1.842 0.851 3.689 1.00 0.00 H new ATOM 0 HB VAL A 17 2.491 -1.945 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.114 -2.816 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.152 -1.876 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.621 -1.152 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.494 -2.317 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.174 -0.613 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.322 -1.021 3.349 1.00 0.00 H new ATOM 261 N ALA A 18 1.082 -0.007 6.798 1.00 0.00 N ATOM 262 CA ALA A 18 0.018 0.072 7.838 1.00 0.00 C ATOM 263 C ALA A 18 -0.596 1.476 7.886 1.00 0.00 C ATOM 264 O ALA A 18 -1.819 1.640 7.769 1.00 0.00 O ATOM 265 CB ALA A 18 0.574 -0.320 9.219 1.00 0.00 C ATOM 0 H ALA A 18 2.005 -0.233 7.169 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.767 -0.635 7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.220 -0.255 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.954 -1.341 9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.383 0.358 9.492 1.00 0.00 H new ATOM 271 N ALA A 19 0.292 2.482 8.020 1.00 0.00 N ATOM 272 CA ALA A 19 -0.090 3.900 8.042 1.00 0.00 C ATOM 273 C ALA A 19 -0.690 4.331 6.701 1.00 0.00 C ATOM 274 O ALA A 19 -1.547 5.208 6.664 1.00 0.00 O ATOM 275 CB ALA A 19 1.120 4.769 8.402 1.00 0.00 C ATOM 0 H ALA A 19 1.296 2.329 8.116 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.856 4.036 8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.824 5.818 8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.492 4.485 9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.906 4.623 7.661 1.00 0.00 H new ATOM 281 N LEU A 20 -0.223 3.683 5.609 1.00 0.00 N ATOM 282 CA LEU A 20 -0.665 3.981 4.238 1.00 0.00 C ATOM 283 C LEU A 20 -2.099 3.509 3.997 1.00 0.00 C ATOM 284 O LEU A 20 -2.906 4.243 3.446 1.00 0.00 O ATOM 285 CB LEU A 20 0.302 3.344 3.204 1.00 0.00 C ATOM 286 CG LEU A 20 0.014 3.670 1.703 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.024 5.190 1.448 1.00 0.00 C ATOM 288 CD2 LEU A 20 1.030 2.975 0.780 1.00 0.00 C ATOM 0 H LEU A 20 0.472 2.938 5.660 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.648 5.063 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.316 3.668 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.276 2.262 3.331 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.975 3.277 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.227 5.377 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.810 5.641 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.937 5.628 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.805 3.220 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.036 3.317 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.970 1.896 0.920 1.00 0.00 H new ATOM 300 N MET A 21 -2.414 2.285 4.441 1.00 0.00 N ATOM 301 CA MET A 21 -3.757 1.700 4.279 1.00 0.00 C ATOM 302 C MET A 21 -4.777 2.421 5.181 1.00 0.00 C ATOM 303 O MET A 21 -5.971 2.414 4.898 1.00 0.00 O ATOM 304 CB MET A 21 -3.718 0.182 4.556 1.00 0.00 C ATOM 305 CG MET A 21 -2.840 -0.609 3.564 1.00 0.00 C ATOM 306 SD MET A 21 -3.432 -0.512 1.861 1.00 0.00 S ATOM 307 CE MET A 21 -4.934 -1.482 1.950 1.00 0.00 C ATOM 0 H MET A 21 -1.752 1.674 4.920 1.00 0.00 H new ATOM 0 HA MET A 21 -4.081 1.840 3.248 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.347 0.016 5.567 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.734 -0.211 4.521 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.819 -0.230 3.610 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.806 -1.654 3.872 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.956 -2.195 1.126 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.964 -2.021 2.897 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.798 -0.821 1.881 1.00 0.00 H new ATOM 317 N THR A 22 -4.285 3.041 6.273 1.00 0.00 N ATOM 318 CA THR A 22 -5.091 3.953 7.103 1.00 0.00 C ATOM 319 C THR A 22 -5.291 5.308 6.379 1.00 0.00 C ATOM 320 O THR A 22 -6.404 5.833 6.328 1.00 0.00 O ATOM 321 CB THR A 22 -4.432 4.177 8.505 1.00 0.00 C ATOM 322 OG1 THR A 22 -4.219 2.907 9.142 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.300 5.069 9.417 1.00 0.00 C ATOM 0 H THR A 22 -3.326 2.924 6.600 1.00 0.00 H new ATOM 0 HA THR A 22 -6.065 3.490 7.260 1.00 0.00 H new ATOM 0 HB THR A 22 -3.482 4.688 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.442 2.465 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.804 5.197 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.439 6.043 8.948 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.271 4.598 9.569 1.00 0.00 H new ATOM 331 N GLU A 23 -4.199 5.810 5.771 1.00 0.00 N ATOM 332 CA GLU A 23 -4.151 7.113 5.058 1.00 0.00 C ATOM 333 C GLU A 23 -5.120 7.119 3.856 1.00 0.00 C ATOM 334 O GLU A 23 -5.780 8.116 3.574 1.00 0.00 O ATOM 335 CB GLU A 23 -2.682 7.386 4.600 1.00 0.00 C ATOM 336 CG GLU A 23 -2.436 8.706 3.848 1.00 0.00 C ATOM 337 CD GLU A 23 -0.949 8.934 3.516 1.00 0.00 C ATOM 338 OE1 GLU A 23 -0.473 8.437 2.482 1.00 0.00 O ATOM 339 OE2 GLU A 23 -0.247 9.604 4.294 1.00 0.00 O ATOM 0 H GLU A 23 -3.306 5.317 5.758 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.470 7.908 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.040 7.370 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.365 6.563 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.014 8.706 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.801 9.537 4.452 1.00 0.00 H new ATOM 346 N LEU A 24 -5.200 5.968 3.180 1.00 0.00 N ATOM 347 CA LEU A 24 -6.056 5.756 1.999 1.00 0.00 C ATOM 348 C LEU A 24 -7.466 5.280 2.405 1.00 0.00 C ATOM 349 O LEU A 24 -8.358 5.187 1.555 1.00 0.00 O ATOM 350 CB LEU A 24 -5.356 4.726 1.073 1.00 0.00 C ATOM 351 CG LEU A 24 -3.921 5.143 0.602 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.216 4.004 -0.152 1.00 0.00 C ATOM 353 CD2 LEU A 24 -3.965 6.437 -0.232 1.00 0.00 C ATOM 0 H LEU A 24 -4.664 5.140 3.440 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.190 6.698 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.290 3.772 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.980 4.564 0.194 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.329 5.347 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.224 4.332 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.123 3.137 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.800 3.734 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.955 6.702 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.589 6.282 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.382 7.244 0.370 1.00 0.00 H new ATOM 365 N ASP A 25 -7.631 4.984 3.714 1.00 0.00 N ATOM 366 CA ASP A 25 -8.901 4.539 4.331 1.00 0.00 C ATOM 367 C ASP A 25 -9.400 3.224 3.683 1.00 0.00 C ATOM 368 O ASP A 25 -10.588 3.043 3.396 1.00 0.00 O ATOM 369 CB ASP A 25 -9.966 5.683 4.301 1.00 0.00 C ATOM 370 CG ASP A 25 -11.221 5.397 5.164 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.101 5.351 6.407 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.328 5.234 4.605 1.00 0.00 O ATOM 0 H ASP A 25 -6.867 5.049 4.386 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.722 4.314 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.502 6.607 4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.277 5.849 3.270 1.00 0.00 H new ATOM 377 N CYS A 26 -8.449 2.309 3.463 1.00 0.00 N ATOM 378 CA CYS A 26 -8.700 0.962 2.927 1.00 0.00 C ATOM 379 C CYS A 26 -8.204 -0.114 3.904 1.00 0.00 C ATOM 380 O CYS A 26 -7.728 -1.174 3.498 1.00 0.00 O ATOM 381 CB CYS A 26 -8.009 0.840 1.563 1.00 0.00 C ATOM 382 SG CYS A 26 -8.639 1.994 0.334 1.00 0.00 S ATOM 0 H CYS A 26 -7.463 2.486 3.656 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.772 0.808 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.939 1.005 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.132 -0.177 1.192 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.559 3.206 0.796 1.00 0.00 H new ATOM 388 N THR A 27 -8.349 0.162 5.201 1.00 0.00 N ATOM 389 CA THR A 27 -7.974 -0.780 6.275 1.00 0.00 C ATOM 390 C THR A 27 -9.203 -1.119 7.151 1.00 0.00 C ATOM 391 O THR A 27 -9.099 -1.900 8.087 1.00 0.00 O ATOM 392 CB THR A 27 -6.807 -0.181 7.143 1.00 0.00 C ATOM 393 OG1 THR A 27 -6.312 -1.159 8.066 1.00 0.00 O ATOM 394 CG2 THR A 27 -7.241 1.073 7.922 1.00 0.00 C ATOM 0 H THR A 27 -8.729 1.044 5.544 1.00 0.00 H new ATOM 0 HA THR A 27 -7.619 -1.706 5.822 1.00 0.00 H new ATOM 0 HB THR A 27 -6.019 0.108 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.586 -0.770 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.400 1.448 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.568 1.841 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.063 0.819 8.592 1.00 0.00 H new ATOM 402 N ASP A 28 -10.379 -0.558 6.786 1.00 0.00 N ATOM 403 CA ASP A 28 -11.601 -0.587 7.622 1.00 0.00 C ATOM 404 C ASP A 28 -12.099 -2.020 7.875 1.00 0.00 C ATOM 405 O ASP A 28 -12.138 -2.470 9.017 1.00 0.00 O ATOM 406 CB ASP A 28 -12.718 0.258 6.957 1.00 0.00 C ATOM 407 CG ASP A 28 -14.012 0.329 7.791 1.00 0.00 C ATOM 408 OD1 ASP A 28 -14.056 1.106 8.767 1.00 0.00 O ATOM 409 OD2 ASP A 28 -14.990 -0.382 7.472 1.00 0.00 O ATOM 0 H ASP A 28 -10.507 -0.070 5.899 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.345 -0.158 8.591 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.347 1.269 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.948 -0.164 5.979 1.00 0.00 H new ATOM 414 N GLY A 29 -12.457 -2.733 6.792 1.00 0.00 N ATOM 415 CA GLY A 29 -13.011 -4.089 6.894 1.00 0.00 C ATOM 416 C GLY A 29 -12.119 -5.134 6.248 1.00 0.00 C ATOM 417 O GLY A 29 -10.908 -5.146 6.487 1.00 0.00 O ATOM 0 H GLY A 29 -12.371 -2.389 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.156 -4.340 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -13.993 -4.113 6.422 1.00 0.00 H new ATOM 421 N HIS A 30 -12.720 -6.003 5.412 1.00 0.00 N ATOM 422 CA HIS A 30 -12.020 -7.096 4.735 1.00 0.00 C ATOM 423 C HIS A 30 -11.239 -6.532 3.528 1.00 0.00 C ATOM 424 O HIS A 30 -11.770 -6.443 2.411 1.00 0.00 O ATOM 425 CB HIS A 30 -13.032 -8.194 4.306 1.00 0.00 C ATOM 426 CG HIS A 30 -12.407 -9.471 3.802 1.00 0.00 C ATOM 427 ND1 HIS A 30 -12.229 -10.579 4.598 1.00 0.00 N ATOM 428 CD2 HIS A 30 -11.949 -9.824 2.574 1.00 0.00 C ATOM 429 CE1 HIS A 30 -11.688 -11.544 3.889 1.00 0.00 C ATOM 430 NE2 HIS A 30 -11.507 -11.116 2.658 1.00 0.00 N ATOM 0 H HIS A 30 -13.715 -5.960 5.190 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.306 -7.560 5.416 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.672 -8.430 5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.676 -7.789 3.526 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -12.478 -10.642 5.585 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.936 -9.200 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.434 -12.527 4.256 1.00 0.00 H new ATOM 439 N TYR A 31 -9.996 -6.084 3.787 1.00 0.00 N ATOM 440 CA TYR A 31 -9.111 -5.486 2.768 1.00 0.00 C ATOM 441 C TYR A 31 -7.688 -6.031 2.893 1.00 0.00 C ATOM 442 O TYR A 31 -7.243 -6.434 3.978 1.00 0.00 O ATOM 443 CB TYR A 31 -9.079 -3.941 2.872 1.00 0.00 C ATOM 444 CG TYR A 31 -10.410 -3.263 2.527 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.759 -2.992 1.200 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.328 -2.925 3.522 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.972 -2.409 0.889 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.541 -2.353 3.210 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.858 -2.094 1.899 1.00 0.00 C ATOM 450 OH TYR A 31 -14.073 -1.529 1.586 1.00 0.00 O ATOM 0 H TYR A 31 -9.574 -6.127 4.715 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.519 -5.760 1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.793 -3.662 3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.305 -3.559 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.070 -3.242 0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.082 -3.116 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.226 -2.201 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.242 -2.109 3.995 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.581 -1.369 2.409 1.00 0.00 H new ATOM 460 N ALA A 32 -7.008 -6.022 1.758 1.00 0.00 N ATOM 461 CA ALA A 32 -5.611 -6.411 1.607 1.00 0.00 C ATOM 462 C ALA A 32 -4.920 -5.378 0.710 1.00 0.00 C ATOM 463 O ALA A 32 -5.536 -4.389 0.286 1.00 0.00 O ATOM 464 CB ALA A 32 -5.499 -7.831 1.023 1.00 0.00 C ATOM 0 H ALA A 32 -7.431 -5.731 0.877 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.120 -6.432 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.448 -8.100 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.990 -8.539 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.979 -7.861 0.045 1.00 0.00 H new ATOM 470 N VAL A 33 -3.643 -5.611 0.434 1.00 0.00 N ATOM 471 CA VAL A 33 -2.834 -4.737 -0.424 1.00 0.00 C ATOM 472 C VAL A 33 -1.768 -5.572 -1.133 1.00 0.00 C ATOM 473 O VAL A 33 -1.448 -6.673 -0.685 1.00 0.00 O ATOM 474 CB VAL A 33 -2.158 -3.590 0.413 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.066 -4.138 1.355 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.616 -2.461 -0.487 1.00 0.00 C ATOM 0 H VAL A 33 -3.131 -6.415 0.798 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.486 -4.270 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.937 -3.154 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.623 -3.315 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.509 -4.853 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.294 -4.634 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.158 -1.690 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.871 -2.867 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.436 -2.027 -1.059 1.00 0.00 H new ATOM 486 N ALA A 34 -1.233 -5.050 -2.234 1.00 0.00 N ATOM 487 CA ALA A 34 -0.118 -5.667 -2.946 1.00 0.00 C ATOM 488 C ALA A 34 0.940 -4.606 -3.270 1.00 0.00 C ATOM 489 O ALA A 34 0.720 -3.722 -4.105 1.00 0.00 O ATOM 490 CB ALA A 34 -0.613 -6.410 -4.195 1.00 0.00 C ATOM 0 H ALA A 34 -1.563 -4.183 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 34 0.352 -6.416 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.235 -6.862 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.316 -7.189 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.110 -5.707 -4.863 1.00 0.00 H new ATOM 496 N LEU A 35 2.088 -4.705 -2.581 1.00 0.00 N ATOM 497 CA LEU A 35 3.230 -3.792 -2.760 1.00 0.00 C ATOM 498 C LEU A 35 4.111 -4.366 -3.869 1.00 0.00 C ATOM 499 O LEU A 35 4.690 -5.448 -3.703 1.00 0.00 O ATOM 500 CB LEU A 35 4.046 -3.639 -1.448 1.00 0.00 C ATOM 501 CG LEU A 35 5.325 -2.735 -1.540 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.961 -1.271 -1.820 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.191 -2.852 -0.276 1.00 0.00 C ATOM 0 H LEU A 35 2.252 -5.426 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 35 2.868 -2.799 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.390 -3.230 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.349 -4.631 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 35 5.914 -3.099 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.871 -0.674 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.423 -1.204 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.329 -0.893 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.068 -2.212 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.611 -2.540 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.509 -3.887 -0.147 1.00 0.00 H new ATOM 515 N ASN A 36 4.169 -3.642 -5.011 1.00 0.00 N ATOM 516 CA ASN A 36 4.830 -4.103 -6.257 1.00 0.00 C ATOM 517 C ASN A 36 4.188 -5.408 -6.760 1.00 0.00 C ATOM 518 O ASN A 36 4.875 -6.282 -7.295 1.00 0.00 O ATOM 519 CB ASN A 36 6.371 -4.250 -6.062 1.00 0.00 C ATOM 520 CG ASN A 36 7.042 -2.944 -5.660 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.556 -1.859 -5.983 1.00 0.00 O ATOM 522 ND2 ASN A 36 8.171 -3.025 -4.977 1.00 0.00 N ATOM 0 H ASN A 36 3.755 -2.714 -5.095 1.00 0.00 H new ATOM 0 HA ASN A 36 4.680 -3.343 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.566 -5.003 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.817 -4.612 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.664 -2.175 -4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.549 -3.938 -4.724 1.00 0.00 H new ATOM 529 N TYR A 37 2.844 -5.492 -6.576 1.00 0.00 N ATOM 530 CA TYR A 37 1.993 -6.640 -6.996 1.00 0.00 C ATOM 531 C TYR A 37 2.220 -7.897 -6.107 1.00 0.00 C ATOM 532 O TYR A 37 1.751 -8.988 -6.440 1.00 0.00 O ATOM 533 CB TYR A 37 2.165 -6.980 -8.515 1.00 0.00 C ATOM 534 CG TYR A 37 1.754 -5.890 -9.541 1.00 0.00 C ATOM 535 CD1 TYR A 37 1.608 -4.537 -9.191 1.00 0.00 C ATOM 536 CD2 TYR A 37 1.518 -6.229 -10.875 1.00 0.00 C ATOM 537 CE1 TYR A 37 1.258 -3.578 -10.134 1.00 0.00 C ATOM 538 CE2 TYR A 37 1.174 -5.272 -11.818 1.00 0.00 C ATOM 539 CZ TYR A 37 1.035 -3.953 -11.442 1.00 0.00 C ATOM 540 OH TYR A 37 0.695 -3.002 -12.388 1.00 0.00 O ATOM 0 H TYR A 37 2.310 -4.750 -6.123 1.00 0.00 H new ATOM 0 HA TYR A 37 0.960 -6.323 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.212 -7.228 -8.688 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.585 -7.878 -8.727 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.771 -4.236 -8.167 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.605 -7.261 -11.180 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.161 -2.542 -9.843 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.015 -5.560 -12.847 1.00 0.00 H new ATOM 0 HH TYR A 37 1.301 -2.236 -12.314 1.00 0.00 H new ATOM 550 N ASP A 38 2.902 -7.718 -4.961 1.00 0.00 N ATOM 551 CA ASP A 38 3.098 -8.775 -3.942 1.00 0.00 C ATOM 552 C ASP A 38 2.133 -8.541 -2.782 1.00 0.00 C ATOM 553 O ASP A 38 2.295 -7.556 -2.047 1.00 0.00 O ATOM 554 CB ASP A 38 4.546 -8.769 -3.398 1.00 0.00 C ATOM 555 CG ASP A 38 5.596 -9.060 -4.473 1.00 0.00 C ATOM 556 OD1 ASP A 38 6.053 -8.113 -5.143 1.00 0.00 O ATOM 557 OD2 ASP A 38 5.992 -10.232 -4.637 1.00 0.00 O ATOM 0 H ASP A 38 3.337 -6.830 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 38 2.908 -9.740 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.754 -7.798 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.632 -9.512 -2.605 1.00 0.00 H new ATOM 562 N VAL A 39 1.147 -9.447 -2.620 1.00 0.00 N ATOM 563 CA VAL A 39 0.100 -9.318 -1.597 1.00 0.00 C ATOM 564 C VAL A 39 0.708 -9.355 -0.191 1.00 0.00 C ATOM 565 O VAL A 39 1.209 -10.393 0.251 1.00 0.00 O ATOM 566 CB VAL A 39 -1.014 -10.430 -1.716 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.173 -10.179 -0.712 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.539 -10.533 -3.164 1.00 0.00 C ATOM 0 H VAL A 39 1.058 -10.285 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.377 -8.353 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.559 -11.386 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.923 -10.962 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.782 -10.189 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.628 -9.210 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.305 -11.306 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.966 -9.576 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.717 -10.789 -3.832 1.00 0.00 H new ATOM 578 N VAL A 40 0.663 -8.210 0.494 1.00 0.00 N ATOM 579 CA VAL A 40 1.174 -8.074 1.858 1.00 0.00 C ATOM 580 C VAL A 40 0.026 -8.387 2.844 1.00 0.00 C ATOM 581 O VAL A 40 -1.025 -7.742 2.766 1.00 0.00 O ATOM 582 CB VAL A 40 1.739 -6.629 2.141 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.411 -6.554 3.536 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.713 -6.175 1.028 1.00 0.00 C ATOM 0 H VAL A 40 0.269 -7.348 0.116 1.00 0.00 H new ATOM 0 HA VAL A 40 2.000 -8.773 1.987 1.00 0.00 H new ATOM 0 HB VAL A 40 0.894 -5.940 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.791 -5.546 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.679 -6.798 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.236 -7.265 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.084 -5.175 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.552 -6.869 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.191 -6.160 0.071 1.00 0.00 H new ATOM 594 N PRO A 41 0.180 -9.409 3.752 1.00 0.00 N ATOM 595 CA PRO A 41 -0.814 -9.685 4.820 1.00 0.00 C ATOM 596 C PRO A 41 -0.828 -8.552 5.872 1.00 0.00 C ATOM 597 O PRO A 41 0.196 -7.877 6.080 1.00 0.00 O ATOM 598 CB PRO A 41 -0.338 -11.035 5.423 1.00 0.00 C ATOM 599 CG PRO A 41 1.133 -11.094 5.120 1.00 0.00 C ATOM 600 CD PRO A 41 1.316 -10.376 3.795 1.00 0.00 C ATOM 0 HA PRO A 41 -1.838 -9.737 4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.523 -11.076 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.868 -11.876 4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.713 -10.613 5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.477 -12.126 5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.278 -9.865 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.282 -11.071 2.956 1.00 0.00 H new ATOM 608 N ARG A 42 -1.997 -8.356 6.518 1.00 0.00 N ATOM 609 CA ARG A 42 -2.254 -7.221 7.439 1.00 0.00 C ATOM 610 C ARG A 42 -1.271 -7.167 8.614 1.00 0.00 C ATOM 611 O ARG A 42 -0.833 -6.082 9.008 1.00 0.00 O ATOM 612 CB ARG A 42 -3.709 -7.252 7.964 1.00 0.00 C ATOM 613 CG ARG A 42 -4.771 -7.181 6.853 1.00 0.00 C ATOM 614 CD ARG A 42 -6.182 -7.004 7.420 1.00 0.00 C ATOM 615 NE ARG A 42 -6.302 -5.776 8.239 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.312 -4.894 8.176 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.318 -5.062 7.326 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.292 -3.838 8.970 1.00 0.00 N ATOM 0 H ARG A 42 -2.795 -8.983 6.417 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.102 -6.315 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.859 -8.166 8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.856 -6.417 8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.542 -6.351 6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.732 -8.092 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.899 -6.964 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.440 -7.871 8.028 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.555 -5.584 8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.332 -5.872 6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.077 -4.381 7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.517 -3.702 9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.052 -3.159 8.934 1.00 0.00 H new ATOM 632 N GLY A 43 -0.909 -8.353 9.140 1.00 0.00 N ATOM 633 CA GLY A 43 0.040 -8.473 10.254 1.00 0.00 C ATOM 634 C GLY A 43 1.493 -8.190 9.883 1.00 0.00 C ATOM 635 O GLY A 43 2.392 -8.348 10.716 1.00 0.00 O ATOM 0 H GLY A 43 -1.266 -9.248 8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.260 -7.786 11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.027 -9.481 10.664 1.00 0.00 H new ATOM 639 N LYS A 44 1.733 -7.797 8.622 1.00 0.00 N ATOM 640 CA LYS A 44 3.055 -7.384 8.130 1.00 0.00 C ATOM 641 C LYS A 44 3.040 -5.954 7.569 1.00 0.00 C ATOM 642 O LYS A 44 4.105 -5.425 7.281 1.00 0.00 O ATOM 643 CB LYS A 44 3.568 -8.365 7.054 1.00 0.00 C ATOM 644 CG LYS A 44 3.951 -9.746 7.615 1.00 0.00 C ATOM 645 CD LYS A 44 4.680 -10.620 6.580 1.00 0.00 C ATOM 646 CE LYS A 44 5.993 -9.989 6.075 1.00 0.00 C ATOM 647 NZ LYS A 44 6.694 -10.838 5.078 1.00 0.00 N ATOM 0 H LYS A 44 1.006 -7.757 7.908 1.00 0.00 H new ATOM 0 HA LYS A 44 3.732 -7.401 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.798 -8.492 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.436 -7.929 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.589 -9.615 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.051 -10.261 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.897 -11.592 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.019 -10.797 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.776 -9.018 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.655 -9.811 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.569 -10.365 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.928 -11.756 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.077 -10.988 4.254 1.00 0.00 H new ATOM 661 N TRP A 45 1.837 -5.345 7.399 1.00 0.00 N ATOM 662 CA TRP A 45 1.691 -3.966 6.839 1.00 0.00 C ATOM 663 C TRP A 45 2.629 -2.942 7.543 1.00 0.00 C ATOM 664 O TRP A 45 3.219 -2.068 6.899 1.00 0.00 O ATOM 665 CB TRP A 45 0.214 -3.470 6.926 1.00 0.00 C ATOM 666 CG TRP A 45 -0.750 -4.088 5.943 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.466 -4.981 4.961 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.161 -3.824 5.837 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.599 -5.303 4.269 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.651 -4.603 4.778 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.054 -3.012 6.537 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.986 -4.591 4.397 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.386 -3.004 6.159 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.842 -3.791 5.099 1.00 0.00 C ATOM 0 H TRP A 45 0.949 -5.785 7.641 1.00 0.00 H new ATOM 0 HA TRP A 45 1.984 -4.029 5.791 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.154 -3.661 7.934 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.205 -2.389 6.783 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.516 -5.380 4.756 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.649 -5.964 3.493 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.712 -2.401 7.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.336 -5.194 3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.085 -2.378 6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.888 -3.767 4.830 1.00 0.00 H new ATOM 685 N ASP A 46 2.752 -3.087 8.873 1.00 0.00 N ATOM 686 CA ASP A 46 3.634 -2.249 9.713 1.00 0.00 C ATOM 687 C ASP A 46 5.108 -2.564 9.438 1.00 0.00 C ATOM 688 O ASP A 46 5.930 -1.657 9.298 1.00 0.00 O ATOM 689 CB ASP A 46 3.282 -2.452 11.213 1.00 0.00 C ATOM 690 CG ASP A 46 4.187 -1.670 12.174 1.00 0.00 C ATOM 691 OD1 ASP A 46 4.273 -0.440 12.040 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.815 -2.273 13.066 1.00 0.00 O ATOM 0 H ASP A 46 2.240 -3.793 9.402 1.00 0.00 H new ATOM 0 HA ASP A 46 3.473 -1.201 9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.247 -2.151 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.347 -3.514 11.451 1.00 0.00 H new ATOM 697 N GLU A 47 5.416 -3.865 9.326 1.00 0.00 N ATOM 698 CA GLU A 47 6.786 -4.361 9.074 1.00 0.00 C ATOM 699 C GLU A 47 7.244 -4.104 7.624 1.00 0.00 C ATOM 700 O GLU A 47 8.434 -4.215 7.317 1.00 0.00 O ATOM 701 CB GLU A 47 6.864 -5.881 9.381 1.00 0.00 C ATOM 702 CG GLU A 47 6.485 -6.274 10.826 1.00 0.00 C ATOM 703 CD GLU A 47 7.318 -5.554 11.903 1.00 0.00 C ATOM 704 OE1 GLU A 47 8.536 -5.813 12.000 1.00 0.00 O ATOM 705 OE2 GLU A 47 6.763 -4.728 12.656 1.00 0.00 O ATOM 0 H GLU A 47 4.723 -4.609 9.407 1.00 0.00 H new ATOM 0 HA GLU A 47 7.455 -3.810 9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.206 -6.410 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.879 -6.226 9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.430 -6.054 10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.608 -7.351 10.944 1.00 0.00 H new ATOM 712 N THR A 48 6.293 -3.772 6.741 1.00 0.00 N ATOM 713 CA THR A 48 6.550 -3.577 5.310 1.00 0.00 C ATOM 714 C THR A 48 6.649 -2.061 5.009 1.00 0.00 C ATOM 715 O THR A 48 5.704 -1.321 5.306 1.00 0.00 O ATOM 716 CB THR A 48 5.413 -4.237 4.467 1.00 0.00 C ATOM 717 OG1 THR A 48 5.277 -5.612 4.860 1.00 0.00 O ATOM 718 CG2 THR A 48 5.695 -4.181 2.961 1.00 0.00 C ATOM 0 H THR A 48 5.317 -3.630 7.002 1.00 0.00 H new ATOM 0 HA THR A 48 7.493 -4.052 5.039 1.00 0.00 H new ATOM 0 HB THR A 48 4.496 -3.678 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.654 -5.677 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.875 -4.653 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.787 -3.141 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.624 -4.709 2.745 1.00 0.00 H new ATOM 726 N PRO A 49 7.811 -1.568 4.473 1.00 0.00 N ATOM 727 CA PRO A 49 7.992 -0.140 4.119 1.00 0.00 C ATOM 728 C PRO A 49 7.437 0.219 2.714 1.00 0.00 C ATOM 729 O PRO A 49 7.114 -0.656 1.907 1.00 0.00 O ATOM 730 CB PRO A 49 9.532 0.017 4.193 1.00 0.00 C ATOM 731 CG PRO A 49 10.069 -1.311 3.742 1.00 0.00 C ATOM 732 CD PRO A 49 9.056 -2.350 4.206 1.00 0.00 C ATOM 0 HA PRO A 49 7.444 0.533 4.778 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.880 0.825 3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.858 0.254 5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.187 -1.337 2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.051 -1.503 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.891 -3.111 3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.400 -2.867 5.102 1.00 0.00 H new ATOM 740 N VAL A 50 7.325 1.534 2.461 1.00 0.00 N ATOM 741 CA VAL A 50 6.911 2.115 1.171 1.00 0.00 C ATOM 742 C VAL A 50 8.019 3.074 0.709 1.00 0.00 C ATOM 743 O VAL A 50 8.452 3.927 1.485 1.00 0.00 O ATOM 744 CB VAL A 50 5.550 2.914 1.299 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.107 3.518 -0.056 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.436 2.031 1.900 1.00 0.00 C ATOM 0 H VAL A 50 7.525 2.242 3.167 1.00 0.00 H new ATOM 0 HA VAL A 50 6.755 1.310 0.453 1.00 0.00 H new ATOM 0 HB VAL A 50 5.729 3.743 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.169 4.058 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.873 4.204 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.966 2.718 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.515 2.608 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.271 1.166 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.735 1.694 2.893 1.00 0.00 H new ATOM 756 N THR A 51 8.480 2.925 -0.540 1.00 0.00 N ATOM 757 CA THR A 51 9.495 3.812 -1.153 1.00 0.00 C ATOM 758 C THR A 51 8.934 4.368 -2.466 1.00 0.00 C ATOM 759 O THR A 51 8.121 3.708 -3.123 1.00 0.00 O ATOM 760 CB THR A 51 10.855 3.068 -1.417 1.00 0.00 C ATOM 761 OG1 THR A 51 10.642 1.913 -2.244 1.00 0.00 O ATOM 762 CG2 THR A 51 11.539 2.635 -0.108 1.00 0.00 C ATOM 0 H THR A 51 8.161 2.183 -1.163 1.00 0.00 H new ATOM 0 HA THR A 51 9.708 4.622 -0.455 1.00 0.00 H new ATOM 0 HB THR A 51 11.511 3.774 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.712 1.617 -2.159 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.475 2.125 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.745 3.514 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.882 1.959 0.439 1.00 0.00 H new ATOM 770 N ALA A 52 9.366 5.590 -2.821 1.00 0.00 N ATOM 771 CA ALA A 52 8.945 6.285 -4.054 1.00 0.00 C ATOM 772 C ALA A 52 9.274 5.456 -5.305 1.00 0.00 C ATOM 773 O ALA A 52 10.427 5.039 -5.495 1.00 0.00 O ATOM 774 CB ALA A 52 9.610 7.670 -4.131 1.00 0.00 C ATOM 0 H ALA A 52 10.023 6.129 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 52 7.863 6.413 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.294 8.175 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.314 8.264 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.694 7.553 -4.138 1.00 0.00 H new ATOM 780 N GLY A 53 8.254 5.230 -6.150 1.00 0.00 N ATOM 781 CA GLY A 53 8.384 4.401 -7.354 1.00 0.00 C ATOM 782 C GLY A 53 7.728 3.033 -7.219 1.00 0.00 C ATOM 783 O GLY A 53 7.708 2.269 -8.188 1.00 0.00 O ATOM 0 H GLY A 53 7.320 5.617 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.939 4.927 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.441 4.268 -7.582 1.00 0.00 H new ATOM 787 N ASP A 54 7.193 2.713 -6.016 1.00 0.00 N ATOM 788 CA ASP A 54 6.459 1.447 -5.787 1.00 0.00 C ATOM 789 C ASP A 54 5.037 1.519 -6.344 1.00 0.00 C ATOM 790 O ASP A 54 4.450 2.596 -6.444 1.00 0.00 O ATOM 791 CB ASP A 54 6.396 1.081 -4.275 1.00 0.00 C ATOM 792 CG ASP A 54 7.716 0.570 -3.673 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.574 0.074 -4.423 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.880 0.623 -2.436 1.00 0.00 O ATOM 0 H ASP A 54 7.256 3.312 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 54 7.013 0.670 -6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.077 1.961 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.630 0.318 -4.133 1.00 0.00 H new ATOM 799 N GLU A 55 4.483 0.346 -6.673 1.00 0.00 N ATOM 800 CA GLU A 55 3.108 0.202 -7.157 1.00 0.00 C ATOM 801 C GLU A 55 2.256 -0.497 -6.078 1.00 0.00 C ATOM 802 O GLU A 55 2.190 -1.730 -6.012 1.00 0.00 O ATOM 803 CB GLU A 55 3.103 -0.559 -8.511 1.00 0.00 C ATOM 804 CG GLU A 55 3.782 0.220 -9.666 1.00 0.00 C ATOM 805 CD GLU A 55 3.918 -0.578 -10.975 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.891 -0.954 -11.566 1.00 0.00 O ATOM 807 OE2 GLU A 55 5.061 -0.853 -11.409 1.00 0.00 O ATOM 0 H GLU A 55 4.985 -0.540 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 55 2.664 1.181 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.610 -1.515 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.073 -0.780 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.208 1.125 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.774 0.535 -9.342 1.00 0.00 H new ATOM 814 N ILE A 56 1.636 0.326 -5.202 1.00 0.00 N ATOM 815 CA ILE A 56 0.771 -0.134 -4.103 1.00 0.00 C ATOM 816 C ILE A 56 -0.664 -0.261 -4.644 1.00 0.00 C ATOM 817 O ILE A 56 -1.381 0.733 -4.743 1.00 0.00 O ATOM 818 CB ILE A 56 0.786 0.879 -2.867 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.207 1.020 -2.224 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.257 0.490 -1.789 1.00 0.00 C ATOM 821 CD1 ILE A 56 3.168 1.908 -2.985 1.00 0.00 C ATOM 0 H ILE A 56 1.727 1.341 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 56 1.144 -1.093 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 56 0.511 1.852 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.095 1.413 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.648 0.027 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.214 1.204 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.255 0.501 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.037 -0.509 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.124 1.943 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.318 1.507 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.756 2.915 -3.055 1.00 0.00 H new ATOM 833 N GLU A 57 -1.080 -1.467 -5.023 1.00 0.00 N ATOM 834 CA GLU A 57 -2.463 -1.707 -5.468 1.00 0.00 C ATOM 835 C GLU A 57 -3.266 -2.298 -4.315 1.00 0.00 C ATOM 836 O GLU A 57 -2.889 -3.301 -3.713 1.00 0.00 O ATOM 837 CB GLU A 57 -2.525 -2.621 -6.714 1.00 0.00 C ATOM 838 CG GLU A 57 -1.755 -3.932 -6.573 1.00 0.00 C ATOM 839 CD GLU A 57 -2.005 -4.903 -7.727 1.00 0.00 C ATOM 840 OE1 GLU A 57 -1.572 -4.612 -8.857 1.00 0.00 O ATOM 841 OE2 GLU A 57 -2.657 -5.943 -7.517 1.00 0.00 O ATOM 0 H GLU A 57 -0.486 -2.296 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.899 -0.753 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.569 -2.848 -6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.133 -2.074 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.688 -3.715 -6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.036 -4.412 -5.635 1.00 0.00 H new ATOM 848 N ILE A 58 -4.369 -1.646 -4.009 1.00 0.00 N ATOM 849 CA ILE A 58 -5.245 -2.020 -2.896 1.00 0.00 C ATOM 850 C ILE A 58 -6.217 -3.105 -3.356 1.00 0.00 C ATOM 851 O ILE A 58 -6.916 -2.938 -4.359 1.00 0.00 O ATOM 852 CB ILE A 58 -6.015 -0.775 -2.356 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.980 0.273 -1.838 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.047 -1.177 -1.267 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.578 1.553 -1.316 1.00 0.00 C ATOM 0 H ILE A 58 -4.694 -0.830 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.638 -2.412 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.592 -0.322 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.388 -0.184 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.293 0.515 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.566 -0.287 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.770 -1.874 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.530 -1.652 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.781 2.216 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.145 2.040 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.242 1.330 -0.480 1.00 0.00 H new ATOM 867 N LEU A 59 -6.238 -4.205 -2.613 1.00 0.00 N ATOM 868 CA LEU A 59 -7.064 -5.369 -2.914 1.00 0.00 C ATOM 869 C LEU A 59 -8.275 -5.396 -1.984 1.00 0.00 C ATOM 870 O LEU A 59 -8.142 -5.211 -0.778 1.00 0.00 O ATOM 871 CB LEU A 59 -6.208 -6.648 -2.752 1.00 0.00 C ATOM 872 CG LEU A 59 -4.960 -6.716 -3.682 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.064 -7.909 -3.326 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.384 -6.751 -5.163 1.00 0.00 C ATOM 0 H LEU A 59 -5.673 -4.316 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.428 -5.317 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.877 -6.719 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.837 -7.517 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.372 -5.812 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.202 -7.928 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.723 -7.813 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.629 -8.834 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.497 -6.798 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.005 -7.629 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.951 -5.851 -5.401 1.00 0.00 H new ATOM 886 N THR A 60 -9.456 -5.558 -2.570 1.00 0.00 N ATOM 887 CA THR A 60 -10.660 -5.956 -1.858 1.00 0.00 C ATOM 888 C THR A 60 -10.855 -7.451 -2.177 1.00 0.00 C ATOM 889 O THR A 60 -11.389 -7.784 -3.240 1.00 0.00 O ATOM 890 CB THR A 60 -11.885 -5.107 -2.327 1.00 0.00 C ATOM 891 OG1 THR A 60 -11.580 -3.711 -2.169 1.00 0.00 O ATOM 892 CG2 THR A 60 -13.164 -5.444 -1.540 1.00 0.00 C ATOM 0 H THR A 60 -9.604 -5.414 -3.569 1.00 0.00 H new ATOM 0 HA THR A 60 -10.571 -5.791 -0.784 1.00 0.00 H new ATOM 0 HB THR A 60 -12.073 -5.344 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 60 -11.435 -3.513 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.987 -4.828 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.410 -6.497 -1.679 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.002 -5.246 -0.480 1.00 0.00 H new ATOM 900 N PRO A 61 -10.340 -8.383 -1.305 1.00 0.00 N ATOM 901 CA PRO A 61 -10.283 -9.827 -1.626 1.00 0.00 C ATOM 902 C PRO A 61 -11.686 -10.454 -1.638 1.00 0.00 C ATOM 903 O PRO A 61 -12.370 -10.508 -0.609 1.00 0.00 O ATOM 904 CB PRO A 61 -9.389 -10.422 -0.494 1.00 0.00 C ATOM 905 CG PRO A 61 -8.808 -9.240 0.224 1.00 0.00 C ATOM 906 CD PRO A 61 -9.800 -8.120 0.043 1.00 0.00 C ATOM 0 HA PRO A 61 -9.881 -10.025 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.976 -11.043 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.603 -11.055 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.656 -9.461 1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.836 -8.971 -0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.580 -8.143 0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.323 -7.142 0.105 1.00 0.00 H new ATOM 914 N ARG A 62 -12.096 -10.906 -2.818 1.00 0.00 N ATOM 915 CA ARG A 62 -13.400 -11.521 -3.066 1.00 0.00 C ATOM 916 C ARG A 62 -13.154 -13.008 -3.386 1.00 0.00 C ATOM 917 O ARG A 62 -13.307 -13.873 -2.514 1.00 0.00 O ATOM 918 CB ARG A 62 -14.107 -10.771 -4.232 1.00 0.00 C ATOM 919 CG ARG A 62 -14.148 -9.232 -4.061 1.00 0.00 C ATOM 920 CD ARG A 62 -14.555 -8.491 -5.342 1.00 0.00 C ATOM 921 NE ARG A 62 -14.354 -7.031 -5.238 1.00 0.00 N ATOM 922 CZ ARG A 62 -13.449 -6.314 -5.923 1.00 0.00 C ATOM 923 NH1 ARG A 62 -12.623 -6.914 -6.783 1.00 0.00 N ATOM 924 NH2 ARG A 62 -13.375 -4.996 -5.748 1.00 0.00 N ATOM 0 H ARG A 62 -11.515 -10.854 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.057 -11.452 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.596 -11.009 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.127 -11.143 -4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.849 -8.980 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.166 -8.882 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.975 -8.876 -6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.603 -8.696 -5.559 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.955 -6.523 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.677 -7.923 -6.923 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.938 -6.364 -7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.006 -4.532 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.688 -4.450 -6.268 1.00 0.00 H new ATOM 938 N GLN A 63 -12.736 -13.292 -4.638 1.00 0.00 N ATOM 939 CA GLN A 63 -12.211 -14.601 -5.052 1.00 0.00 C ATOM 940 C GLN A 63 -10.746 -14.399 -5.464 1.00 0.00 C ATOM 941 O GLN A 63 -10.456 -14.125 -6.635 1.00 0.00 O ATOM 942 CB GLN A 63 -13.048 -15.176 -6.232 1.00 0.00 C ATOM 943 CG GLN A 63 -14.552 -15.301 -5.947 1.00 0.00 C ATOM 944 CD GLN A 63 -15.351 -15.775 -7.160 1.00 0.00 C ATOM 945 OE1 GLN A 63 -15.550 -16.974 -7.365 1.00 0.00 O ATOM 946 NE2 GLN A 63 -15.788 -14.845 -7.994 1.00 0.00 N ATOM 0 H GLN A 63 -12.756 -12.608 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.276 -15.318 -4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.909 -14.537 -7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -12.658 -16.160 -6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.704 -15.999 -5.124 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.936 -14.335 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.609 -13.860 -7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.304 -15.113 -8.832 1.00 0.00 H new ATOM 955 N GLY A 64 -9.843 -14.426 -4.468 1.00 0.00 N ATOM 956 CA GLY A 64 -8.406 -14.219 -4.689 1.00 0.00 C ATOM 957 C GLY A 64 -7.576 -15.450 -4.346 1.00 0.00 C ATOM 958 O GLY A 64 -6.871 -15.990 -5.207 1.00 0.00 O ATOM 0 H GLY A 64 -10.090 -14.591 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.238 -13.951 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.067 -13.377 -4.085 1.00 0.00 H new ATOM 962 N GLY A 65 -7.672 -15.899 -3.077 1.00 0.00 N ATOM 963 CA GLY A 65 -6.908 -17.051 -2.585 1.00 0.00 C ATOM 964 C GLY A 65 -7.463 -18.371 -3.105 1.00 0.00 C ATOM 965 O GLY A 65 -6.718 -19.339 -3.303 1.00 0.00 O ATOM 0 H GLY A 65 -8.277 -15.474 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.866 -16.951 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.922 -17.056 -1.495 1.00 0.00 H new ATOM 969 N LEU A 66 -8.794 -18.397 -3.317 1.00 0.00 N ATOM 970 CA LEU A 66 -9.505 -19.520 -3.945 1.00 0.00 C ATOM 971 C LEU A 66 -10.258 -18.985 -5.176 1.00 0.00 C ATOM 972 O LEU A 66 -11.408 -18.536 -5.074 1.00 0.00 O ATOM 973 CB LEU A 66 -10.506 -20.226 -2.968 1.00 0.00 C ATOM 974 CG LEU A 66 -9.905 -21.008 -1.738 1.00 0.00 C ATOM 975 CD1 LEU A 66 -9.413 -20.061 -0.618 1.00 0.00 C ATOM 976 CD2 LEU A 66 -10.914 -22.044 -1.180 1.00 0.00 C ATOM 0 H LEU A 66 -9.409 -17.628 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.771 -20.273 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.188 -19.468 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.104 -20.927 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.032 -21.545 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.009 -20.650 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.636 -19.405 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.247 -19.459 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.469 -22.566 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.820 -21.532 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.164 -22.764 -1.959 1.00 0.00 H new ATOM 988 N GLU A 67 -9.581 -18.983 -6.328 1.00 0.00 N ATOM 989 CA GLU A 67 -10.178 -18.582 -7.615 1.00 0.00 C ATOM 990 C GLU A 67 -9.678 -19.502 -8.738 1.00 0.00 C ATOM 991 O GLU A 67 -9.037 -20.522 -8.475 1.00 0.00 O ATOM 992 CB GLU A 67 -9.842 -17.095 -7.930 1.00 0.00 C ATOM 993 CG GLU A 67 -8.344 -16.783 -8.125 1.00 0.00 C ATOM 994 CD GLU A 67 -8.066 -15.315 -8.496 1.00 0.00 C ATOM 995 OE1 GLU A 67 -8.744 -14.782 -9.401 1.00 0.00 O ATOM 996 OE2 GLU A 67 -7.148 -14.698 -7.918 1.00 0.00 O ATOM 0 H GLU A 67 -8.602 -19.259 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.262 -18.678 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.377 -16.803 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.223 -16.474 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.808 -17.025 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.945 -17.429 -8.907 1.00 0.00 H new ATOM 1003 N HIS A 68 -10.022 -19.154 -9.988 1.00 0.00 N ATOM 1004 CA HIS A 68 -9.425 -19.758 -11.198 1.00 0.00 C ATOM 1005 C HIS A 68 -9.081 -18.633 -12.203 1.00 0.00 C ATOM 1006 O HIS A 68 -8.776 -18.895 -13.369 1.00 0.00 O ATOM 1007 CB HIS A 68 -10.406 -20.803 -11.808 1.00 0.00 C ATOM 1008 CG HIS A 68 -9.787 -21.735 -12.829 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -9.128 -22.896 -12.483 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -9.721 -21.672 -14.180 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -8.686 -23.490 -13.571 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -9.035 -22.768 -14.607 1.00 0.00 N ATOM 0 H HIS A 68 -10.724 -18.443 -10.193 1.00 0.00 H new ATOM 0 HA HIS A 68 -8.505 -20.285 -10.946 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -10.827 -21.401 -10.999 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.235 -20.272 -12.277 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -10.136 -20.895 -14.804 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.130 -24.415 -13.604 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.826 -22.992 -15.580 1.00 0.00 H new ATOM 1021 N HIS A 69 -9.093 -17.381 -11.695 1.00 0.00 N ATOM 1022 CA HIS A 69 -8.863 -16.154 -12.467 1.00 0.00 C ATOM 1023 C HIS A 69 -9.871 -16.014 -13.628 1.00 0.00 C ATOM 1024 O HIS A 69 -10.916 -15.387 -13.446 1.00 0.00 O ATOM 1025 CB HIS A 69 -7.382 -16.021 -12.938 1.00 0.00 C ATOM 1026 CG HIS A 69 -6.381 -15.923 -11.808 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -5.699 -14.767 -11.489 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -5.949 -16.851 -10.925 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -4.901 -14.995 -10.470 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -5.036 -16.249 -10.105 1.00 0.00 N ATOM 0 H HIS A 69 -9.269 -17.198 -10.707 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.041 -15.314 -11.795 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.131 -16.881 -13.558 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.290 -15.136 -13.568 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.268 -17.882 -10.876 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.244 -14.272 -10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.541 -16.700 -9.336 1.00 0.00 H new ATOM 1039 N HIS A 70 -9.589 -16.678 -14.784 1.00 0.00 N ATOM 1040 CA HIS A 70 -10.329 -16.465 -16.061 1.00 0.00 C ATOM 1041 C HIS A 70 -10.114 -15.002 -16.521 1.00 0.00 C ATOM 1042 O HIS A 70 -9.075 -14.413 -16.194 1.00 0.00 O ATOM 1043 CB HIS A 70 -11.846 -16.814 -15.921 1.00 0.00 C ATOM 1044 CG HIS A 70 -12.146 -18.251 -15.597 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -12.659 -18.658 -14.388 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -12.056 -19.367 -16.349 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -12.867 -19.953 -14.412 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -12.512 -20.405 -15.588 1.00 0.00 N ATOM 0 H HIS A 70 -8.846 -17.373 -14.857 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.937 -17.142 -16.820 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.276 -16.185 -15.142 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.349 -16.556 -16.853 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.691 -19.428 -17.364 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.263 -20.545 -13.600 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.567 -21.378 -15.888 1.00 0.00 H new ATOM 1057 N HIS A 71 -11.056 -14.416 -17.299 1.00 0.00 N ATOM 1058 CA HIS A 71 -11.053 -12.959 -17.525 1.00 0.00 C ATOM 1059 C HIS A 71 -11.509 -12.265 -16.222 1.00 0.00 C ATOM 1060 O HIS A 71 -12.708 -12.077 -15.984 1.00 0.00 O ATOM 1061 CB HIS A 71 -11.933 -12.536 -18.728 1.00 0.00 C ATOM 1062 CG HIS A 71 -11.875 -11.053 -19.008 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -12.984 -10.230 -18.968 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -10.831 -10.245 -19.328 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -12.621 -8.992 -19.240 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -11.326 -8.976 -19.460 1.00 0.00 N ATOM 0 H HIS A 71 -11.809 -14.919 -17.768 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.041 -12.648 -17.783 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.612 -13.081 -19.616 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.966 -12.824 -18.534 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.802 -10.548 -19.455 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -13.278 -8.135 -19.276 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.776 -8.149 -19.692 1.00 0.00 H new ATOM 1075 N HIS A 72 -10.518 -11.987 -15.364 1.00 0.00 N ATOM 1076 CA HIS A 72 -10.695 -11.343 -14.059 1.00 0.00 C ATOM 1077 C HIS A 72 -9.332 -10.829 -13.589 1.00 0.00 C ATOM 1078 O HIS A 72 -8.322 -11.535 -13.692 1.00 0.00 O ATOM 1079 CB HIS A 72 -11.294 -12.332 -13.015 1.00 0.00 C ATOM 1080 CG HIS A 72 -11.359 -11.802 -11.601 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -12.397 -11.032 -11.127 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -10.497 -11.931 -10.560 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -12.161 -10.710 -9.872 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -11.017 -11.240 -9.505 1.00 0.00 N ATOM 0 H HIS A 72 -9.544 -12.211 -15.566 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.398 -10.515 -14.157 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -12.300 -12.606 -13.331 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -10.699 -13.245 -13.018 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.568 -12.481 -10.566 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.804 -10.108 -9.247 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.588 -11.150 -8.584 1.00 0.00 H new ATOM 1093 N HIS A 73 -9.330 -9.600 -13.069 1.00 0.00 N ATOM 1094 CA HIS A 73 -8.152 -8.969 -12.459 1.00 0.00 C ATOM 1095 C HIS A 73 -8.572 -8.350 -11.110 1.00 0.00 C ATOM 1096 O HIS A 73 -8.464 -9.035 -10.073 1.00 0.00 O ATOM 1097 CB HIS A 73 -7.530 -7.906 -13.415 1.00 0.00 C ATOM 1098 CG HIS A 73 -6.878 -8.481 -14.647 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -5.722 -9.227 -14.598 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -7.222 -8.415 -15.959 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -5.385 -9.596 -15.818 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -6.275 -9.118 -16.658 1.00 0.00 N ATOM 1103 OXT HIS A 73 -9.062 -7.203 -11.095 1.00 0.00 O ATOM 0 H HIS A 73 -10.158 -9.004 -13.058 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.379 -9.717 -12.283 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.311 -7.211 -13.723 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.789 -7.328 -12.863 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.079 -7.905 -16.373 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.523 -10.191 -16.082 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.263 -9.249 -17.669 1.00 0.00 H new TER 1112 HIS A 73