USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 820 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 102 THR OG1 : rot -108:sc= 0.691 USER MOD Set 1.2: A 103 ASN : amide:sc= -4.82! K(o=-4.1!,f=-1.6) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.675 K(o=-0.67,f=-4!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= -0.0622 (180deg=-1.36!) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00619) USER MOD Single : A 12 GLN : amide:sc= -2.16! C(o=-2.2!,f=-4.1!) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -1.86! (180deg=-2.46!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0401 USER MOD Single : A 16 GLN : amide:sc= -3.24! C(o=-3.2!,f=-0.38!) USER MOD Single : A 17 CYS SG : rot 180:sc=-0.00319 USER MOD Single : A 18 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-6.4!) USER MOD Single : A 19 THR OG1 : rot -143:sc= 0.916 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.142) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0474) USER MOD Single : A 26 HIS : no HE2:sc= 0.205 K(o=0.2,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0426 (180deg=-0.578) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -4.93! K(o=-4.9!,f=-1.4) USER MOD Single : A 33 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-10!) USER MOD Single : A 40 THR OG1 : rot 90:sc= -0.672 USER MOD Single : A 42 GLN : amide:sc= -4.52! K(o=-4.5!,f=0.63) USER MOD Single : A 47 THR OG1 : rot 30:sc= 0.347 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0026 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.425 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -11.1! C(o=-11!,f=-5!) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.017 (180deg=-0.247) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 91:sc= -2.63! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -148:sc= 1.38 USER MOD Single : A 70 ASN : amide:sc= -7.69! K(o=-7.7!,f=-1.9) USER MOD Single : A 72 LYS NZ :NH3+ -104:sc= -0.919 (180deg=-3.57!) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -0.0222 (180deg=-0.301) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 142:sc= 0 (180deg=-0.323) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.335) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -1.96! (180deg=-2.66!) USER MOD Single : A 100 LYS NZ :NH3+ -122:sc= -0.0824 (180deg=-0.638) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 74.519 8.308 -8.918 1.00 0.00 N ATOM 11 CA ASP A 2 73.979 7.541 -10.038 1.00 0.00 C ATOM 12 C ASP A 2 74.335 6.068 -9.907 1.00 0.00 C ATOM 13 O ASP A 2 75.348 5.613 -10.437 1.00 0.00 O ATOM 14 CB ASP A 2 74.534 8.083 -11.355 1.00 0.00 C ATOM 15 CG ASP A 2 74.224 9.572 -11.477 1.00 0.00 C ATOM 16 OD1 ASP A 2 73.078 9.937 -11.273 1.00 0.00 O ATOM 17 OD2 ASP A 2 75.138 10.324 -11.772 1.00 0.00 O1- ATOM 0 HA ASP A 2 72.894 7.641 -10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 2 75.611 7.922 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 2 74.096 7.542 -12.194 1.00 0.00 H new ATOM 22 N VAL A 3 73.486 5.325 -9.207 1.00 0.00 N ATOM 23 CA VAL A 3 73.706 3.899 -9.020 1.00 0.00 C ATOM 24 C VAL A 3 74.110 3.250 -10.340 1.00 0.00 C ATOM 25 O VAL A 3 74.688 2.162 -10.358 1.00 0.00 O ATOM 26 CB VAL A 3 72.422 3.249 -8.497 1.00 0.00 C ATOM 27 CG1 VAL A 3 71.294 3.470 -9.505 1.00 0.00 C ATOM 28 CG2 VAL A 3 72.645 1.748 -8.304 1.00 0.00 C ATOM 0 H VAL A 3 72.642 5.686 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 3 74.509 3.755 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 3 72.153 3.699 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 3 70.379 3.008 -9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 3 71.131 4.539 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 3 71.566 3.021 -10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 3 71.729 1.289 -7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 3 72.916 1.295 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 3 73.449 1.589 -7.585 1.00 0.00 H new ATOM 38 N GLU A 4 73.799 3.926 -11.444 1.00 0.00 N ATOM 39 CA GLU A 4 74.132 3.402 -12.765 1.00 0.00 C ATOM 40 C GLU A 4 75.630 3.508 -13.029 1.00 0.00 C ATOM 41 O GLU A 4 76.299 2.502 -13.272 1.00 0.00 O ATOM 42 CB GLU A 4 73.366 4.175 -13.841 1.00 0.00 C ATOM 43 CG GLU A 4 71.889 3.779 -13.804 1.00 0.00 C ATOM 44 CD GLU A 4 71.701 2.403 -14.435 1.00 0.00 C ATOM 45 OE1 GLU A 4 72.272 2.174 -15.488 1.00 0.00 O1- ATOM 46 OE2 GLU A 4 70.989 1.600 -13.855 1.00 0.00 O ATOM 0 H GLU A 4 73.322 4.828 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 4 73.846 2.351 -12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 4 73.470 5.247 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 4 73.786 3.962 -14.824 1.00 0.00 H new ATOM 0 HG2 GLU A 4 71.533 3.767 -12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 4 71.293 4.518 -14.339 1.00 0.00 H new ATOM 53 N LYS A 5 76.155 4.726 -12.976 1.00 0.00 N ATOM 54 CA LYS A 5 77.578 4.935 -13.207 1.00 0.00 C ATOM 55 C LYS A 5 78.377 4.399 -12.031 1.00 0.00 C ATOM 56 O LYS A 5 79.566 4.106 -12.155 1.00 0.00 O ATOM 57 CB LYS A 5 77.871 6.424 -13.403 1.00 0.00 C ATOM 58 CG LYS A 5 77.393 6.860 -14.791 1.00 0.00 C ATOM 59 CD LYS A 5 77.651 8.359 -14.983 1.00 0.00 C ATOM 60 CE LYS A 5 76.502 9.168 -14.372 1.00 0.00 C ATOM 61 NZ LYS A 5 76.706 10.615 -14.664 1.00 0.00 N1+ ATOM 0 H LYS A 5 75.624 5.574 -12.778 1.00 0.00 H new ATOM 0 HA LYS A 5 77.869 4.399 -14.110 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.368 7.009 -12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 5 78.940 6.612 -13.299 1.00 0.00 H new ATOM 0 HG2 LYS A 5 77.914 6.291 -15.560 1.00 0.00 H new ATOM 0 HG3 LYS A 5 76.330 6.648 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS A 5 78.594 8.638 -14.513 1.00 0.00 H new ATOM 0 HD3 LYS A 5 77.744 8.588 -16.045 1.00 0.00 H new ATOM 0 HE2 LYS A 5 75.549 8.834 -14.782 1.00 0.00 H new ATOM 0 HE3 LYS A 5 76.460 9.005 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 75.927 11.166 -14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 77.608 10.928 -14.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 76.725 10.762 -15.693 1.00 0.00 H new ATOM 75 N GLY A 6 77.708 4.248 -10.895 1.00 0.00 N ATOM 76 CA GLY A 6 78.362 3.718 -9.711 1.00 0.00 C ATOM 77 C GLY A 6 78.651 2.242 -9.923 1.00 0.00 C ATOM 78 O GLY A 6 79.679 1.721 -9.488 1.00 0.00 O ATOM 0 H GLY A 6 76.723 4.483 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 6 79.289 4.259 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 6 77.726 3.855 -8.837 1.00 0.00 H new ATOM 82 N LYS A 7 77.734 1.580 -10.621 1.00 0.00 N ATOM 83 CA LYS A 7 77.887 0.167 -10.922 1.00 0.00 C ATOM 84 C LYS A 7 79.038 -0.030 -11.901 1.00 0.00 C ATOM 85 O LYS A 7 79.849 -0.939 -11.742 1.00 0.00 O ATOM 86 CB LYS A 7 76.592 -0.381 -11.528 1.00 0.00 C ATOM 87 CG LYS A 7 76.678 -1.907 -11.643 1.00 0.00 C ATOM 88 CD LYS A 7 75.639 -2.413 -12.653 1.00 0.00 C ATOM 89 CE LYS A 7 76.227 -2.371 -14.068 1.00 0.00 C ATOM 90 NZ LYS A 7 77.090 -3.566 -14.283 1.00 0.00 N1+ ATOM 0 H LYS A 7 76.880 2.001 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 7 78.104 -0.372 -10.000 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.742 -0.101 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 7 76.426 0.058 -12.512 1.00 0.00 H new ATOM 0 HG2 LYS A 7 77.679 -2.201 -11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 7 76.504 -2.364 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.341 -3.431 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.741 -1.797 -12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.425 -2.351 -14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.809 -1.460 -14.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.986 -3.273 -14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.286 -4.022 -13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.602 -4.239 -14.907 1.00 0.00 H new ATOM 104 N LYS A 8 79.106 0.831 -12.915 1.00 0.00 N ATOM 105 CA LYS A 8 80.169 0.735 -13.910 1.00 0.00 C ATOM 106 C LYS A 8 81.539 0.871 -13.249 1.00 0.00 C ATOM 107 O LYS A 8 82.446 0.072 -13.494 1.00 0.00 O ATOM 108 CB LYS A 8 79.997 1.832 -14.966 1.00 0.00 C ATOM 109 CG LYS A 8 81.162 1.781 -15.970 1.00 0.00 C ATOM 110 CD LYS A 8 82.192 2.871 -15.641 1.00 0.00 C ATOM 111 CE LYS A 8 81.739 4.208 -16.237 1.00 0.00 C ATOM 112 NZ LYS A 8 82.466 5.323 -15.567 1.00 0.00 N1+ ATOM 0 H LYS A 8 78.446 1.593 -13.067 1.00 0.00 H new ATOM 0 HA LYS A 8 80.106 -0.243 -14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 8 79.049 1.700 -15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 8 79.963 2.810 -14.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 81.637 0.800 -15.938 1.00 0.00 H new ATOM 0 HG3 LYS A 8 80.785 1.920 -16.983 1.00 0.00 H new ATOM 0 HD2 LYS A 8 82.305 2.963 -14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 8 83.168 2.595 -16.041 1.00 0.00 H new ATOM 0 HE2 LYS A 8 81.934 4.225 -17.309 1.00 0.00 H new ATOM 0 HE3 LYS A 8 80.664 4.331 -16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 82.209 6.225 -16.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 82.206 5.352 -14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 83.491 5.172 -15.655 1.00 0.00 H new ATOM 126 N ILE A 9 81.681 1.891 -12.411 1.00 0.00 N ATOM 127 CA ILE A 9 82.941 2.134 -11.722 1.00 0.00 C ATOM 128 C ILE A 9 83.250 1.013 -10.737 1.00 0.00 C ATOM 129 O ILE A 9 84.400 0.809 -10.358 1.00 0.00 O ATOM 130 CB ILE A 9 82.864 3.460 -10.966 1.00 0.00 C ATOM 131 CG1 ILE A 9 82.624 4.604 -11.956 1.00 0.00 C ATOM 132 CG2 ILE A 9 84.178 3.699 -10.224 1.00 0.00 C ATOM 133 CD1 ILE A 9 82.167 5.850 -11.193 1.00 0.00 C ATOM 0 H ILE A 9 80.942 2.560 -12.193 1.00 0.00 H new ATOM 0 HA ILE A 9 83.736 2.173 -12.467 1.00 0.00 H new ATOM 0 HB ILE A 9 82.042 3.421 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 9 83.538 4.818 -12.510 1.00 0.00 H new ATOM 0 HG13 ILE A 9 81.869 4.315 -12.687 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.124 4.645 -9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.350 2.887 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 9 84.999 3.736 -10.940 1.00 0.00 H new ATOM 0 HD11 ILE A 9 81.996 6.665 -11.896 1.00 0.00 H new ATOM 0 HD12 ILE A 9 81.242 5.631 -10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 9 82.937 6.142 -10.479 1.00 0.00 H new ATOM 145 N PHE A 10 82.216 0.300 -10.311 1.00 0.00 N ATOM 146 CA PHE A 10 82.396 -0.784 -9.350 1.00 0.00 C ATOM 147 C PHE A 10 82.856 -2.076 -10.032 1.00 0.00 C ATOM 148 O PHE A 10 83.844 -2.681 -9.618 1.00 0.00 O ATOM 149 CB PHE A 10 81.079 -1.038 -8.604 1.00 0.00 C ATOM 150 CG PHE A 10 81.061 -2.455 -8.081 1.00 0.00 C ATOM 151 CD1 PHE A 10 80.583 -3.491 -8.891 1.00 0.00 C ATOM 152 CD2 PHE A 10 81.536 -2.734 -6.796 1.00 0.00 C ATOM 153 CE1 PHE A 10 80.582 -4.807 -8.419 1.00 0.00 C ATOM 154 CE2 PHE A 10 81.532 -4.052 -6.320 1.00 0.00 C ATOM 155 CZ PHE A 10 81.056 -5.088 -7.134 1.00 0.00 C ATOM 0 H PHE A 10 81.253 0.449 -10.611 1.00 0.00 H new ATOM 0 HA PHE A 10 83.172 -0.481 -8.647 1.00 0.00 H new ATOM 0 HB2 PHE A 10 80.974 -0.333 -7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 10 80.233 -0.875 -9.272 1.00 0.00 H new ATOM 0 HD1 PHE A 10 80.214 -3.274 -9.883 1.00 0.00 H new ATOM 0 HD2 PHE A 10 81.906 -1.935 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 10 80.215 -5.606 -9.046 1.00 0.00 H new ATOM 0 HE2 PHE A 10 81.896 -4.269 -5.326 1.00 0.00 H new ATOM 0 HZ PHE A 10 81.055 -6.104 -6.769 1.00 0.00 H new ATOM 165 N VAL A 11 82.127 -2.503 -11.059 1.00 0.00 N ATOM 166 CA VAL A 11 82.464 -3.741 -11.762 1.00 0.00 C ATOM 167 C VAL A 11 83.894 -3.718 -12.271 1.00 0.00 C ATOM 168 O VAL A 11 84.538 -4.761 -12.388 1.00 0.00 O ATOM 169 CB VAL A 11 81.524 -3.954 -12.949 1.00 0.00 C ATOM 170 CG1 VAL A 11 80.097 -4.133 -12.443 1.00 0.00 C ATOM 171 CG2 VAL A 11 81.587 -2.740 -13.874 1.00 0.00 C ATOM 0 H VAL A 11 81.307 -2.017 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 11 82.354 -4.558 -11.048 1.00 0.00 H new ATOM 0 HB VAL A 11 81.829 -4.845 -13.497 1.00 0.00 H new ATOM 0 HG11 VAL A 11 79.427 -4.285 -13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.051 -5.000 -11.784 1.00 0.00 H new ATOM 0 HG13 VAL A 11 79.791 -3.243 -11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.917 -2.892 -14.720 1.00 0.00 H new ATOM 0 HG22 VAL A 11 81.283 -1.849 -13.326 1.00 0.00 H new ATOM 0 HG23 VAL A 11 82.607 -2.612 -14.237 1.00 0.00 H new ATOM 181 N GLN A 12 84.379 -2.533 -12.605 1.00 0.00 N ATOM 182 CA GLN A 12 85.731 -2.409 -13.137 1.00 0.00 C ATOM 183 C GLN A 12 86.753 -2.050 -12.059 1.00 0.00 C ATOM 184 O GLN A 12 87.944 -2.317 -12.225 1.00 0.00 O ATOM 185 CB GLN A 12 85.753 -1.339 -14.225 1.00 0.00 C ATOM 186 CG GLN A 12 85.535 0.039 -13.600 1.00 0.00 C ATOM 187 CD GLN A 12 85.285 1.061 -14.701 1.00 0.00 C ATOM 188 OE1 GLN A 12 84.968 2.217 -14.420 1.00 0.00 O ATOM 189 NE2 GLN A 12 85.413 0.698 -15.947 1.00 0.00 N ATOM 0 H GLN A 12 83.868 -1.654 -12.520 1.00 0.00 H new ATOM 0 HA GLN A 12 86.010 -3.381 -13.545 1.00 0.00 H new ATOM 0 HB2 GLN A 12 86.707 -1.363 -14.752 1.00 0.00 H new ATOM 0 HB3 GLN A 12 84.976 -1.541 -14.962 1.00 0.00 H new ATOM 0 HG2 GLN A 12 84.687 0.010 -12.916 1.00 0.00 H new ATOM 0 HG3 GLN A 12 86.408 0.326 -13.013 1.00 0.00 H new ATOM 0 HE21 GLN A 12 85.676 -0.261 -16.174 1.00 0.00 H new ATOM 0 HE22 GLN A 12 85.250 1.373 -16.694 1.00 0.00 H new ATOM 198 N LYS A 13 86.309 -1.409 -10.980 1.00 0.00 N ATOM 199 CA LYS A 13 87.243 -0.990 -9.931 1.00 0.00 C ATOM 200 C LYS A 13 87.250 -1.900 -8.694 1.00 0.00 C ATOM 201 O LYS A 13 88.284 -2.477 -8.360 1.00 0.00 O ATOM 202 CB LYS A 13 86.925 0.448 -9.507 1.00 0.00 C ATOM 203 CG LYS A 13 88.164 1.089 -8.870 1.00 0.00 C ATOM 204 CD LYS A 13 87.947 2.601 -8.721 1.00 0.00 C ATOM 205 CE LYS A 13 88.407 3.316 -9.994 1.00 0.00 C ATOM 206 NZ LYS A 13 88.189 4.782 -9.847 1.00 0.00 N1+ ATOM 0 H LYS A 13 85.332 -1.171 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 13 88.240 -1.061 -10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 13 86.608 1.030 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 13 86.097 0.453 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 13 88.356 0.642 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 13 89.042 0.897 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 13 86.894 2.810 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 13 88.503 2.975 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 13 89.462 3.111 -10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 13 87.854 2.940 -10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 88.748 5.290 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 87.180 4.998 -9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 88.486 5.084 -8.897 1.00 0.00 H new ATOM 220 N CYS A 14 86.127 -1.978 -7.978 1.00 0.00 N ATOM 221 CA CYS A 14 86.077 -2.768 -6.738 1.00 0.00 C ATOM 222 C CYS A 14 85.799 -4.257 -6.960 1.00 0.00 C ATOM 223 O CYS A 14 86.332 -5.097 -6.234 1.00 0.00 O ATOM 224 CB CYS A 14 85.021 -2.187 -5.792 1.00 0.00 C ATOM 225 SG CYS A 14 84.971 -0.378 -5.943 1.00 0.00 S ATOM 0 H CYS A 14 85.253 -1.515 -8.226 1.00 0.00 H new ATOM 0 HA CYS A 14 87.072 -2.701 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 14 84.042 -2.606 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.250 -2.467 -4.764 1.00 0.00 H new ATOM 0 HG CYS A 14 84.070 0.100 -5.137 1.00 0.00 H new ATOM 230 N ALA A 15 84.966 -4.592 -7.930 1.00 0.00 N ATOM 231 CA ALA A 15 84.645 -5.996 -8.176 1.00 0.00 C ATOM 232 C ALA A 15 85.916 -6.842 -8.230 1.00 0.00 C ATOM 233 O ALA A 15 85.888 -8.039 -7.945 1.00 0.00 O ATOM 234 CB ALA A 15 83.877 -6.135 -9.491 1.00 0.00 C ATOM 0 H ALA A 15 84.505 -3.929 -8.552 1.00 0.00 H new ATOM 0 HA ALA A 15 84.024 -6.353 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.642 -7.185 -9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.952 -5.561 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 15 84.488 -5.759 -10.311 1.00 0.00 H new ATOM 240 N GLN A 16 87.024 -6.215 -8.604 1.00 0.00 N ATOM 241 CA GLN A 16 88.298 -6.919 -8.702 1.00 0.00 C ATOM 242 C GLN A 16 88.551 -7.801 -7.478 1.00 0.00 C ATOM 243 O GLN A 16 88.694 -9.017 -7.606 1.00 0.00 O ATOM 244 CB GLN A 16 89.440 -5.911 -8.850 1.00 0.00 C ATOM 245 CG GLN A 16 89.439 -5.338 -10.269 1.00 0.00 C ATOM 246 CD GLN A 16 90.614 -4.384 -10.447 1.00 0.00 C ATOM 247 OE1 GLN A 16 90.626 -3.298 -9.867 1.00 0.00 O ATOM 248 NE2 GLN A 16 91.610 -4.726 -11.219 1.00 0.00 N ATOM 0 H GLN A 16 87.068 -5.225 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 16 88.254 -7.563 -9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 16 89.326 -5.107 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 16 90.395 -6.395 -8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 16 89.503 -6.147 -10.997 1.00 0.00 H new ATOM 0 HG3 GLN A 16 88.502 -4.813 -10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 16 91.598 -5.626 -11.698 1.00 0.00 H new ATOM 0 HE22 GLN A 16 92.400 -4.093 -11.343 1.00 0.00 H new ATOM 257 N CYS A 17 88.625 -7.186 -6.295 1.00 0.00 N ATOM 258 CA CYS A 17 88.884 -7.944 -5.066 1.00 0.00 C ATOM 259 C CYS A 17 87.785 -7.723 -4.023 1.00 0.00 C ATOM 260 O CYS A 17 88.075 -7.432 -2.864 1.00 0.00 O ATOM 261 CB CYS A 17 90.245 -7.532 -4.472 1.00 0.00 C ATOM 262 SG CYS A 17 91.258 -6.729 -5.742 1.00 0.00 S ATOM 0 H CYS A 17 88.511 -6.181 -6.161 1.00 0.00 H new ATOM 0 HA CYS A 17 88.897 -9.002 -5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 17 90.094 -6.853 -3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 17 90.762 -8.409 -4.084 1.00 0.00 H new ATOM 0 HG CYS A 17 92.402 -6.384 -5.230 1.00 0.00 H new ATOM 267 N HIS A 18 86.525 -7.877 -4.427 1.00 0.00 N ATOM 268 CA HIS A 18 85.415 -7.697 -3.488 1.00 0.00 C ATOM 269 C HIS A 18 84.164 -8.431 -3.966 1.00 0.00 C ATOM 270 O HIS A 18 84.171 -9.082 -5.011 1.00 0.00 O ATOM 271 CB HIS A 18 85.099 -6.209 -3.320 1.00 0.00 C ATOM 272 CG HIS A 18 86.117 -5.565 -2.416 1.00 0.00 C ATOM 273 ND1 HIS A 18 86.717 -6.240 -1.360 1.00 0.00 N ATOM 274 CD2 HIS A 18 86.647 -4.302 -2.399 1.00 0.00 C ATOM 275 CE1 HIS A 18 87.565 -5.382 -0.760 1.00 0.00 C ATOM 276 NE2 HIS A 18 87.557 -4.188 -1.356 1.00 0.00 N ATOM 0 H HIS A 18 86.249 -8.121 -5.378 1.00 0.00 H new ATOM 0 HA HIS A 18 85.719 -8.116 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 18 85.101 -5.716 -4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 18 84.100 -6.086 -2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 18 86.395 -3.513 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 18 88.175 -5.630 0.096 1.00 0.00 H new ATOM 0 HE2 HIS A 18 88.104 -3.366 -1.100 1.00 0.00 H new ATOM 284 N THR A 19 83.091 -8.324 -3.181 1.00 0.00 N ATOM 285 CA THR A 19 81.829 -8.980 -3.510 1.00 0.00 C ATOM 286 C THR A 19 80.654 -8.021 -3.300 1.00 0.00 C ATOM 287 O THR A 19 79.696 -8.016 -4.073 1.00 0.00 O ATOM 288 CB THR A 19 81.659 -10.218 -2.623 1.00 0.00 C ATOM 289 OG1 THR A 19 82.939 -10.744 -2.303 1.00 0.00 O ATOM 290 CG2 THR A 19 80.848 -11.279 -3.363 1.00 0.00 C ATOM 0 H THR A 19 83.073 -7.789 -2.313 1.00 0.00 H new ATOM 0 HA THR A 19 81.844 -9.278 -4.558 1.00 0.00 H new ATOM 0 HB THR A 19 81.135 -9.937 -1.709 1.00 0.00 H new ATOM 0 HG1 THR A 19 82.895 -11.723 -2.284 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.731 -12.156 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 19 79.866 -10.878 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.368 -11.561 -4.279 1.00 0.00 H new ATOM 298 N VAL A 20 80.747 -7.213 -2.248 1.00 0.00 N ATOM 299 CA VAL A 20 79.709 -6.234 -1.919 1.00 0.00 C ATOM 300 C VAL A 20 78.302 -6.812 -2.062 1.00 0.00 C ATOM 301 O VAL A 20 77.371 -6.098 -2.430 1.00 0.00 O ATOM 302 CB VAL A 20 79.847 -4.992 -2.804 1.00 0.00 C ATOM 303 CG1 VAL A 20 81.268 -4.439 -2.691 1.00 0.00 C ATOM 304 CG2 VAL A 20 79.564 -5.351 -4.261 1.00 0.00 C ATOM 0 H VAL A 20 81.537 -7.216 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 20 79.851 -5.959 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 20 79.130 -4.241 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 20 81.366 -3.555 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 20 81.472 -4.170 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 20 81.980 -5.197 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 20 79.665 -4.460 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 20 80.275 -6.108 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 20 78.550 -5.742 -4.349 1.00 0.00 H new ATOM 314 N GLU A 21 78.144 -8.096 -1.757 1.00 0.00 N ATOM 315 CA GLU A 21 76.830 -8.731 -1.848 1.00 0.00 C ATOM 316 C GLU A 21 76.559 -9.574 -0.605 1.00 0.00 C ATOM 317 O GLU A 21 77.313 -10.492 -0.286 1.00 0.00 O ATOM 318 CB GLU A 21 76.742 -9.600 -3.109 1.00 0.00 C ATOM 319 CG GLU A 21 77.458 -10.931 -2.878 1.00 0.00 C ATOM 320 CD GLU A 21 77.699 -11.631 -4.212 1.00 0.00 C ATOM 321 OE1 GLU A 21 77.322 -11.072 -5.229 1.00 0.00 O1- ATOM 322 OE2 GLU A 21 78.257 -12.716 -4.197 1.00 0.00 O ATOM 0 H GLU A 21 78.897 -8.712 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 21 76.073 -7.950 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 21 75.698 -9.779 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 21 77.192 -9.077 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 21 78.408 -10.760 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 21 76.859 -11.568 -2.227 1.00 0.00 H new ATOM 329 N LYS A 22 75.479 -9.246 0.097 1.00 0.00 N ATOM 330 CA LYS A 22 75.115 -9.970 1.309 1.00 0.00 C ATOM 331 C LYS A 22 75.030 -11.468 1.038 1.00 0.00 C ATOM 332 O LYS A 22 74.459 -11.897 0.035 1.00 0.00 O ATOM 333 CB LYS A 22 73.767 -9.462 1.832 1.00 0.00 C ATOM 334 CG LYS A 22 73.426 -10.145 3.168 1.00 0.00 C ATOM 335 CD LYS A 22 72.437 -11.291 2.933 1.00 0.00 C ATOM 336 CE LYS A 22 72.027 -11.895 4.278 1.00 0.00 C ATOM 337 NZ LYS A 22 73.176 -12.648 4.855 1.00 0.00 N1+ ATOM 0 H LYS A 22 74.844 -8.488 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 22 75.886 -9.796 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 22 73.805 -8.381 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 22 72.985 -9.665 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 22 74.335 -10.527 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 22 72.996 -9.419 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 22 71.558 -10.924 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 22 72.892 -12.055 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 22 71.714 -11.107 4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 22 71.173 -12.559 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 72.847 -13.223 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 73.584 -13.270 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 73.900 -11.978 5.183 1.00 0.00 H new ATOM 351 N GLY A 23 75.598 -12.259 1.943 1.00 0.00 N ATOM 352 CA GLY A 23 75.578 -13.710 1.799 1.00 0.00 C ATOM 353 C GLY A 23 76.410 -14.158 0.602 1.00 0.00 C ATOM 354 O GLY A 23 76.139 -15.198 0.002 1.00 0.00 O ATOM 0 H GLY A 23 76.075 -11.922 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.964 -14.173 2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 23 74.550 -14.052 1.679 1.00 0.00 H new ATOM 358 N GLY A 24 77.426 -13.371 0.260 1.00 0.00 N ATOM 359 CA GLY A 24 78.290 -13.701 -0.865 1.00 0.00 C ATOM 360 C GLY A 24 79.534 -14.444 -0.395 1.00 0.00 C ATOM 361 O GLY A 24 79.503 -15.160 0.606 1.00 0.00 O ATOM 0 H GLY A 24 77.669 -12.506 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 24 77.743 -14.315 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 24 78.581 -12.788 -1.385 1.00 0.00 H new ATOM 365 N LYS A 25 80.627 -14.266 -1.127 1.00 0.00 N ATOM 366 CA LYS A 25 81.890 -14.917 -0.790 1.00 0.00 C ATOM 367 C LYS A 25 83.052 -13.943 -0.963 1.00 0.00 C ATOM 368 O LYS A 25 83.360 -13.526 -2.079 1.00 0.00 O ATOM 369 CB LYS A 25 82.122 -16.139 -1.691 1.00 0.00 C ATOM 370 CG LYS A 25 80.809 -16.910 -1.895 1.00 0.00 C ATOM 371 CD LYS A 25 80.086 -16.384 -3.141 1.00 0.00 C ATOM 372 CE LYS A 25 78.622 -16.824 -3.111 1.00 0.00 C ATOM 373 NZ LYS A 25 78.545 -18.307 -3.227 1.00 0.00 N1+ ATOM 0 H LYS A 25 80.666 -13.676 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 25 81.837 -15.239 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.517 -15.818 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.870 -16.793 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.015 -17.975 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 25 80.171 -16.798 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.148 -15.296 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.571 -16.761 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 25 78.152 -16.497 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 25 78.074 -16.356 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 77.559 -18.591 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 79.136 -18.624 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 78.887 -18.742 -2.346 1.00 0.00 H new ATOM 387 N HIS A 26 83.694 -13.585 0.144 1.00 0.00 N ATOM 388 CA HIS A 26 84.822 -12.661 0.093 1.00 0.00 C ATOM 389 C HIS A 26 85.879 -13.164 -0.886 1.00 0.00 C ATOM 390 O HIS A 26 86.438 -14.247 -0.710 1.00 0.00 O ATOM 391 CB HIS A 26 85.438 -12.506 1.488 1.00 0.00 C ATOM 392 CG HIS A 26 85.241 -13.775 2.271 1.00 0.00 C ATOM 393 ND1 HIS A 26 85.582 -15.019 1.762 1.00 0.00 N ATOM 394 CD2 HIS A 26 84.738 -14.009 3.527 1.00 0.00 C ATOM 395 CE1 HIS A 26 85.283 -15.937 2.700 1.00 0.00 C ATOM 396 NE2 HIS A 26 84.766 -15.374 3.796 1.00 0.00 N ATOM 0 H HIS A 26 83.456 -13.916 1.079 1.00 0.00 H new ATOM 0 HA HIS A 26 84.460 -11.691 -0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 26 86.501 -12.280 1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 26 84.974 -11.669 2.010 1.00 0.00 H new ATOM 0 HD1 HIS A 26 85.986 -15.205 0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 26 84.376 -13.249 4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 26 85.442 -16.999 2.581 1.00 0.00 H new ATOM 405 N LYS A 27 86.148 -12.368 -1.918 1.00 0.00 N ATOM 406 CA LYS A 27 87.141 -12.734 -2.926 1.00 0.00 C ATOM 407 C LYS A 27 88.379 -11.852 -2.797 1.00 0.00 C ATOM 408 O LYS A 27 88.295 -10.629 -2.914 1.00 0.00 O ATOM 409 CB LYS A 27 86.546 -12.576 -4.328 1.00 0.00 C ATOM 410 CG LYS A 27 85.596 -13.743 -4.618 1.00 0.00 C ATOM 411 CD LYS A 27 85.067 -13.642 -6.055 1.00 0.00 C ATOM 412 CE LYS A 27 83.827 -12.744 -6.091 1.00 0.00 C ATOM 413 NZ LYS A 27 82.651 -13.499 -5.573 1.00 0.00 N1+ ATOM 0 H LYS A 27 85.694 -11.469 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 27 87.427 -13.774 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.009 -11.630 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.343 -12.549 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 27 86.117 -14.690 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 27 84.764 -13.730 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 27 85.839 -13.237 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 27 84.819 -14.634 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 27 83.994 -11.851 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 27 83.637 -12.409 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 81.775 -13.015 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 82.657 -14.462 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 82.699 -13.548 -4.535 1.00 0.00 H new ATOM 427 N THR A 28 89.526 -12.481 -2.555 1.00 0.00 N ATOM 428 CA THR A 28 90.778 -11.743 -2.411 1.00 0.00 C ATOM 429 C THR A 28 90.549 -10.451 -1.634 1.00 0.00 C ATOM 430 O THR A 28 91.273 -9.470 -1.807 1.00 0.00 O ATOM 431 CB THR A 28 91.356 -11.420 -3.793 1.00 0.00 C ATOM 432 OG1 THR A 28 91.468 -12.619 -4.546 1.00 0.00 O ATOM 433 CG2 THR A 28 92.742 -10.775 -3.649 1.00 0.00 C ATOM 0 H THR A 28 89.615 -13.492 -2.455 1.00 0.00 H new ATOM 0 HA THR A 28 91.485 -12.363 -1.860 1.00 0.00 H new ATOM 0 HB THR A 28 90.692 -10.723 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 28 91.836 -12.416 -5.431 1.00 0.00 H new ATOM 0 HG21 THR A 28 93.143 -10.550 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 28 92.656 -9.853 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 28 93.412 -11.463 -3.134 1.00 0.00 H new ATOM 441 N GLY A 29 89.534 -10.462 -0.778 1.00 0.00 N ATOM 442 CA GLY A 29 89.205 -9.293 0.027 1.00 0.00 C ATOM 443 C GLY A 29 87.896 -9.513 0.780 1.00 0.00 C ATOM 444 O GLY A 29 87.057 -10.308 0.357 1.00 0.00 O ATOM 0 H GLY A 29 88.926 -11.266 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.009 -9.094 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.120 -8.415 -0.614 1.00 0.00 H new ATOM 448 N PRO A 30 87.708 -8.832 1.879 1.00 0.00 N ATOM 449 CA PRO A 30 86.470 -8.964 2.705 1.00 0.00 C ATOM 450 C PRO A 30 85.241 -8.397 1.998 1.00 0.00 C ATOM 451 O PRO A 30 85.345 -7.811 0.920 1.00 0.00 O ATOM 452 CB PRO A 30 86.793 -8.167 3.975 1.00 0.00 C ATOM 453 CG PRO A 30 87.842 -7.186 3.566 1.00 0.00 C ATOM 454 CD PRO A 30 88.650 -7.860 2.457 1.00 0.00 C ATOM 0 HA PRO A 30 86.221 -10.006 2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.907 -7.660 4.357 1.00 0.00 H new ATOM 0 HB3 PRO A 30 87.154 -8.821 4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 30 87.391 -6.260 3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 30 88.481 -6.926 4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 30 88.988 -7.139 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 30 89.540 -8.351 2.852 1.00 0.00 H new ATOM 462 N ASN A 31 84.078 -8.573 2.619 1.00 0.00 N ATOM 463 CA ASN A 31 82.829 -8.074 2.053 1.00 0.00 C ATOM 464 C ASN A 31 82.515 -6.695 2.615 1.00 0.00 C ATOM 465 O ASN A 31 83.121 -6.266 3.596 1.00 0.00 O ATOM 466 CB ASN A 31 81.685 -9.032 2.393 1.00 0.00 C ATOM 467 CG ASN A 31 81.557 -9.176 3.906 1.00 0.00 C ATOM 468 OD1 ASN A 31 81.765 -10.263 4.446 1.00 0.00 O ATOM 469 ND2 ASN A 31 81.225 -8.140 4.627 1.00 0.00 N ATOM 0 H ASN A 31 83.975 -9.056 3.511 1.00 0.00 H new ATOM 0 HA ASN A 31 82.937 -8.006 0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 31 80.750 -8.658 1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 31 81.869 -10.007 1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 31 81.138 -8.230 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 31 81.053 -7.240 4.178 1.00 0.00 H new ATOM 476 N LEU A 32 81.559 -6.007 1.997 1.00 0.00 N ATOM 477 CA LEU A 32 81.163 -4.675 2.457 1.00 0.00 C ATOM 478 C LEU A 32 79.685 -4.665 2.841 1.00 0.00 C ATOM 479 O LEU A 32 78.985 -3.677 2.618 1.00 0.00 O ATOM 480 CB LEU A 32 81.400 -3.627 1.363 1.00 0.00 C ATOM 481 CG LEU A 32 82.775 -3.814 0.710 1.00 0.00 C ATOM 482 CD1 LEU A 32 83.012 -2.668 -0.282 1.00 0.00 C ATOM 483 CD2 LEU A 32 83.878 -3.798 1.776 1.00 0.00 C ATOM 0 H LEU A 32 81.046 -6.345 1.182 1.00 0.00 H new ATOM 0 HA LEU A 32 81.771 -4.428 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 32 80.620 -3.705 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 81.330 -2.627 1.791 1.00 0.00 H new ATOM 0 HG LEU A 32 82.800 -4.773 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 32 83.987 -2.790 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 32 82.235 -2.682 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 32 82.982 -1.716 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 32 84.848 -3.932 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 83.861 -2.844 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 32 83.709 -4.607 2.486 1.00 0.00 H new ATOM 495 N HIS A 33 79.218 -5.766 3.419 1.00 0.00 N ATOM 496 CA HIS A 33 77.819 -5.867 3.830 1.00 0.00 C ATOM 497 C HIS A 33 77.514 -4.845 4.918 1.00 0.00 C ATOM 498 O HIS A 33 78.331 -4.620 5.810 1.00 0.00 O ATOM 499 CB HIS A 33 77.525 -7.272 4.358 1.00 0.00 C ATOM 500 CG HIS A 33 77.988 -8.297 3.360 1.00 0.00 C ATOM 501 ND1 HIS A 33 78.482 -9.533 3.746 1.00 0.00 N ATOM 502 CD2 HIS A 33 78.033 -8.288 1.988 1.00 0.00 C ATOM 503 CE1 HIS A 33 78.800 -10.211 2.629 1.00 0.00 C ATOM 504 NE2 HIS A 33 78.546 -9.498 1.528 1.00 0.00 N ATOM 0 H HIS A 33 79.780 -6.595 3.613 1.00 0.00 H new ATOM 0 HA HIS A 33 77.190 -5.668 2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 33 78.030 -7.425 5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 33 76.457 -7.386 4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 33 77.718 -7.467 1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 33 79.211 -11.210 2.623 1.00 0.00 H new ATOM 0 HE2 HIS A 33 78.696 -9.779 0.559 1.00 0.00 H new ATOM 513 N GLY A 34 76.338 -4.223 4.841 1.00 0.00 N ATOM 514 CA GLY A 34 75.951 -3.221 5.833 1.00 0.00 C ATOM 515 C GLY A 34 77.160 -2.394 6.254 1.00 0.00 C ATOM 516 O GLY A 34 77.226 -1.885 7.372 1.00 0.00 O ATOM 0 H GLY A 34 75.645 -4.392 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 34 75.183 -2.568 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 34 75.517 -3.712 6.704 1.00 0.00 H new ATOM 520 N LEU A 35 78.118 -2.280 5.342 1.00 0.00 N ATOM 521 CA LEU A 35 79.340 -1.531 5.599 1.00 0.00 C ATOM 522 C LEU A 35 79.031 -0.208 6.296 1.00 0.00 C ATOM 523 O LEU A 35 79.533 0.072 7.382 1.00 0.00 O ATOM 524 CB LEU A 35 80.043 -1.266 4.260 1.00 0.00 C ATOM 525 CG LEU A 35 81.257 -0.339 4.451 1.00 0.00 C ATOM 526 CD1 LEU A 35 82.504 -1.170 4.758 1.00 0.00 C ATOM 527 CD2 LEU A 35 81.496 0.462 3.167 1.00 0.00 C ATOM 0 H LEU A 35 78.071 -2.699 4.413 1.00 0.00 H new ATOM 0 HA LEU A 35 79.987 -2.113 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 35 80.367 -2.210 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 35 79.341 -0.813 3.560 1.00 0.00 H new ATOM 0 HG LEU A 35 81.058 0.339 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 35 83.359 -0.507 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 35 82.343 -1.744 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 35 82.700 -1.852 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 35 82.356 1.118 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 35 81.689 -0.223 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 35 80.614 1.061 2.942 1.00 0.00 H new ATOM 539 N PHE A 36 78.209 0.603 5.656 1.00 0.00 N ATOM 540 CA PHE A 36 77.849 1.903 6.208 1.00 0.00 C ATOM 541 C PHE A 36 77.264 1.773 7.614 1.00 0.00 C ATOM 542 O PHE A 36 76.052 1.636 7.776 1.00 0.00 O ATOM 543 CB PHE A 36 76.834 2.594 5.291 1.00 0.00 C ATOM 544 CG PHE A 36 77.320 2.537 3.859 1.00 0.00 C ATOM 545 CD1 PHE A 36 77.136 1.372 3.101 1.00 0.00 C ATOM 546 CD2 PHE A 36 77.961 3.645 3.289 1.00 0.00 C ATOM 547 CE1 PHE A 36 77.593 1.316 1.779 1.00 0.00 C ATOM 548 CE2 PHE A 36 78.418 3.587 1.969 1.00 0.00 C ATOM 549 CZ PHE A 36 78.235 2.423 1.213 1.00 0.00 C ATOM 0 H PHE A 36 77.778 0.389 4.757 1.00 0.00 H new ATOM 0 HA PHE A 36 78.757 2.502 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 36 75.863 2.107 5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 36 76.698 3.631 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 36 76.641 0.517 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 36 78.102 4.545 3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.450 0.418 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 36 78.913 4.442 1.532 1.00 0.00 H new ATOM 0 HZ PHE A 36 78.589 2.379 0.194 1.00 0.00 H new ATOM 559 N GLY A 37 78.127 1.838 8.633 1.00 0.00 N ATOM 560 CA GLY A 37 77.656 1.748 10.016 1.00 0.00 C ATOM 561 C GLY A 37 78.597 0.944 10.918 1.00 0.00 C ATOM 562 O GLY A 37 78.560 1.093 12.139 1.00 0.00 O ATOM 0 H GLY A 37 79.135 1.950 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 37 77.544 2.753 10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 37 76.668 1.287 10.028 1.00 0.00 H new ATOM 566 N ARG A 38 79.419 0.079 10.331 1.00 0.00 N ATOM 567 CA ARG A 38 80.330 -0.747 11.133 1.00 0.00 C ATOM 568 C ARG A 38 81.700 -0.083 11.307 1.00 0.00 C ATOM 569 O ARG A 38 82.134 0.713 10.476 1.00 0.00 O ATOM 570 CB ARG A 38 80.509 -2.123 10.476 1.00 0.00 C ATOM 571 CG ARG A 38 79.618 -3.166 11.167 1.00 0.00 C ATOM 572 CD ARG A 38 80.007 -4.574 10.697 1.00 0.00 C ATOM 573 NE ARG A 38 79.244 -4.939 9.507 1.00 0.00 N ATOM 574 CZ ARG A 38 79.747 -5.749 8.575 1.00 0.00 C ATOM 575 NH1 ARG A 38 80.954 -6.234 8.701 1.00 0.00 N ATOM 576 NH2 ARG A 38 79.030 -6.062 7.532 1.00 0.00 N1+ ATOM 0 H ARG A 38 79.477 -0.071 9.324 1.00 0.00 H new ATOM 0 HA ARG A 38 79.882 -0.861 12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 38 80.256 -2.063 9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 38 81.553 -2.429 10.537 1.00 0.00 H new ATOM 0 HG2 ARG A 38 79.726 -3.091 12.249 1.00 0.00 H new ATOM 0 HG3 ARG A 38 78.570 -2.972 10.937 1.00 0.00 H new ATOM 0 HD2 ARG A 38 81.074 -4.610 10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 38 79.820 -5.295 11.493 1.00 0.00 H new ATOM 0 HE ARG A 38 78.303 -4.565 9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 38 81.518 -5.993 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 38 81.332 -6.853 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 38 78.087 -5.687 7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 38 79.412 -6.681 6.818 1.00 0.00 H new ATOM 590 N LYS A 39 82.371 -0.435 12.406 1.00 0.00 N ATOM 591 CA LYS A 39 83.692 0.108 12.721 1.00 0.00 C ATOM 592 C LYS A 39 84.778 -0.545 11.860 1.00 0.00 C ATOM 593 O LYS A 39 84.648 -1.696 11.444 1.00 0.00 O ATOM 594 CB LYS A 39 83.991 -0.126 14.208 1.00 0.00 C ATOM 595 CG LYS A 39 85.249 0.647 14.636 1.00 0.00 C ATOM 596 CD LYS A 39 84.887 2.095 14.998 1.00 0.00 C ATOM 597 CE LYS A 39 84.432 2.169 16.460 1.00 0.00 C ATOM 598 NZ LYS A 39 83.596 3.387 16.658 1.00 0.00 N1+ ATOM 0 H LYS A 39 82.017 -1.098 13.096 1.00 0.00 H new ATOM 0 HA LYS A 39 83.691 1.176 12.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 83.140 0.192 14.810 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.132 -1.191 14.393 1.00 0.00 H new ATOM 0 HG2 LYS A 39 85.712 0.156 15.492 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.981 0.639 13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 39 85.749 2.744 14.843 1.00 0.00 H new ATOM 0 HD3 LYS A 39 84.094 2.456 14.343 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.862 1.277 16.720 1.00 0.00 H new ATOM 0 HE3 LYS A 39 85.298 2.198 17.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.287 3.438 17.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 84.154 4.233 16.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.763 3.341 16.037 1.00 0.00 H new ATOM 612 N THR A 40 85.847 0.209 11.595 1.00 0.00 N ATOM 613 CA THR A 40 86.955 -0.285 10.779 1.00 0.00 C ATOM 614 C THR A 40 87.436 -1.657 11.243 1.00 0.00 C ATOM 615 O THR A 40 87.447 -1.957 12.437 1.00 0.00 O ATOM 616 CB THR A 40 88.122 0.706 10.833 1.00 0.00 C ATOM 617 OG1 THR A 40 88.382 1.061 12.184 1.00 0.00 O ATOM 618 CG2 THR A 40 87.770 1.962 10.034 1.00 0.00 C ATOM 0 H THR A 40 85.968 1.163 11.934 1.00 0.00 H new ATOM 0 HA THR A 40 86.591 -0.383 9.756 1.00 0.00 H new ATOM 0 HB THR A 40 89.009 0.241 10.402 1.00 0.00 H new ATOM 0 HG1 THR A 40 89.033 0.436 12.567 1.00 0.00 H new ATOM 0 HG21 THR A 40 88.602 2.664 10.075 1.00 0.00 H new ATOM 0 HG22 THR A 40 87.575 1.690 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 40 86.881 2.427 10.460 1.00 0.00 H new ATOM 626 N GLY A 41 87.850 -2.480 10.279 1.00 0.00 N ATOM 627 CA GLY A 41 88.355 -3.817 10.578 1.00 0.00 C ATOM 628 C GLY A 41 87.433 -4.567 11.530 1.00 0.00 C ATOM 629 O GLY A 41 87.877 -5.091 12.551 1.00 0.00 O ATOM 0 H GLY A 41 87.845 -2.243 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 41 88.460 -4.382 9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 41 89.349 -3.741 11.019 1.00 0.00 H new ATOM 633 N GLN A 42 86.149 -4.611 11.195 1.00 0.00 N ATOM 634 CA GLN A 42 85.172 -5.300 12.039 1.00 0.00 C ATOM 635 C GLN A 42 84.553 -6.492 11.312 1.00 0.00 C ATOM 636 O GLN A 42 83.990 -7.385 11.945 1.00 0.00 O ATOM 637 CB GLN A 42 84.065 -4.330 12.459 1.00 0.00 C ATOM 638 CG GLN A 42 82.985 -5.091 13.237 1.00 0.00 C ATOM 639 CD GLN A 42 82.185 -4.127 14.106 1.00 0.00 C ATOM 640 OE1 GLN A 42 81.463 -4.556 15.007 1.00 0.00 O ATOM 641 NE2 GLN A 42 82.269 -2.844 13.890 1.00 0.00 N ATOM 0 H GLN A 42 85.760 -4.184 10.355 1.00 0.00 H new ATOM 0 HA GLN A 42 85.695 -5.668 12.922 1.00 0.00 H new ATOM 0 HB2 GLN A 42 84.480 -3.534 13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 42 83.629 -3.857 11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 42 82.320 -5.604 12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 42 83.447 -5.857 13.860 1.00 0.00 H new ATOM 0 HE21 GLN A 42 82.867 -2.491 13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 42 81.736 -2.194 14.468 1.00 0.00 H new ATOM 701 N THR A 47 91.970 -11.119 7.317 1.00 0.00 N ATOM 702 CA THR A 47 92.835 -10.702 8.415 1.00 0.00 C ATOM 703 C THR A 47 93.105 -9.204 8.342 1.00 0.00 C ATOM 704 O THR A 47 94.116 -8.771 7.789 1.00 0.00 O ATOM 705 CB THR A 47 94.161 -11.464 8.357 1.00 0.00 C ATOM 706 OG1 THR A 47 93.903 -12.843 8.133 1.00 0.00 O ATOM 707 CG2 THR A 47 94.909 -11.291 9.680 1.00 0.00 C ATOM 0 HA THR A 47 92.330 -10.925 9.355 1.00 0.00 H new ATOM 0 HB THR A 47 94.771 -11.071 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 47 93.075 -12.941 7.618 1.00 0.00 H new ATOM 0 HG21 THR A 47 95.853 -11.834 9.638 1.00 0.00 H new ATOM 0 HG22 THR A 47 95.106 -10.233 9.851 1.00 0.00 H new ATOM 0 HG23 THR A 47 94.301 -11.683 10.496 1.00 0.00 H new ATOM 715 N TYR A 48 92.192 -8.418 8.899 1.00 0.00 N ATOM 716 CA TYR A 48 92.336 -6.967 8.889 1.00 0.00 C ATOM 717 C TYR A 48 93.647 -6.551 9.542 1.00 0.00 C ATOM 718 O TYR A 48 94.158 -7.233 10.430 1.00 0.00 O ATOM 719 CB TYR A 48 91.159 -6.323 9.628 1.00 0.00 C ATOM 720 CG TYR A 48 90.004 -6.155 8.676 1.00 0.00 C ATOM 721 CD1 TYR A 48 89.986 -5.069 7.795 1.00 0.00 C ATOM 722 CD2 TYR A 48 88.954 -7.078 8.673 1.00 0.00 C ATOM 723 CE1 TYR A 48 88.917 -4.904 6.911 1.00 0.00 C ATOM 724 CE2 TYR A 48 87.883 -6.914 7.789 1.00 0.00 C ATOM 725 CZ TYR A 48 87.864 -5.827 6.907 1.00 0.00 C ATOM 726 OH TYR A 48 86.808 -5.662 6.038 1.00 0.00 O ATOM 0 H TYR A 48 91.348 -8.758 9.361 1.00 0.00 H new ATOM 0 HA TYR A 48 92.343 -6.627 7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 48 90.861 -6.944 10.473 1.00 0.00 H new ATOM 0 HB3 TYR A 48 91.455 -5.355 10.033 1.00 0.00 H new ATOM 0 HD1 TYR A 48 90.799 -4.358 7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 48 88.970 -7.917 9.353 1.00 0.00 H new ATOM 0 HE1 TYR A 48 88.903 -4.065 6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 48 87.071 -7.626 7.787 1.00 0.00 H new ATOM 0 HH TYR A 48 86.164 -6.390 6.164 1.00 0.00 H new ATOM 736 N THR A 49 94.185 -5.425 9.090 1.00 0.00 N ATOM 737 CA THR A 49 95.441 -4.917 9.630 1.00 0.00 C ATOM 738 C THR A 49 95.197 -4.160 10.932 1.00 0.00 C ATOM 739 O THR A 49 94.101 -3.654 11.167 1.00 0.00 O ATOM 740 CB THR A 49 96.108 -3.989 8.611 1.00 0.00 C ATOM 741 OG1 THR A 49 95.258 -2.878 8.360 1.00 0.00 O ATOM 742 CG2 THR A 49 96.356 -4.750 7.305 1.00 0.00 C ATOM 0 H THR A 49 93.775 -4.849 8.355 1.00 0.00 H new ATOM 0 HA THR A 49 96.098 -5.763 9.835 1.00 0.00 H new ATOM 0 HB THR A 49 97.060 -3.638 9.008 1.00 0.00 H new ATOM 0 HG1 THR A 49 95.797 -2.063 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 49 96.831 -4.087 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 49 97.008 -5.602 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 49 95.406 -5.104 6.904 1.00 0.00 H new ATOM 750 N ASP A 50 96.222 -4.089 11.774 1.00 0.00 N ATOM 751 CA ASP A 50 96.105 -3.393 13.050 1.00 0.00 C ATOM 752 C ASP A 50 95.434 -2.037 12.864 1.00 0.00 C ATOM 753 O ASP A 50 94.618 -1.621 13.686 1.00 0.00 O ATOM 754 CB ASP A 50 97.490 -3.201 13.670 1.00 0.00 C ATOM 755 CG ASP A 50 98.307 -4.480 13.526 1.00 0.00 C ATOM 756 OD1 ASP A 50 97.720 -5.547 13.606 1.00 0.00 O ATOM 757 OD2 ASP A 50 99.507 -4.375 13.336 1.00 0.00 O1- ATOM 0 H ASP A 50 97.138 -4.502 11.598 1.00 0.00 H new ATOM 0 HA ASP A 50 95.491 -3.999 13.716 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.005 -2.374 13.181 1.00 0.00 H new ATOM 0 HB3 ASP A 50 97.393 -2.938 14.723 1.00 0.00 H new ATOM 762 N ALA A 51 95.783 -1.351 11.782 1.00 0.00 N ATOM 763 CA ALA A 51 95.205 -0.042 11.504 1.00 0.00 C ATOM 764 C ALA A 51 93.684 -0.127 11.452 1.00 0.00 C ATOM 765 O ALA A 51 92.990 0.574 12.183 1.00 0.00 O ATOM 766 CB ALA A 51 95.732 0.492 10.174 1.00 0.00 C ATOM 0 H ALA A 51 96.457 -1.676 11.089 1.00 0.00 H new ATOM 0 HA ALA A 51 95.493 0.637 12.307 1.00 0.00 H new ATOM 0 HB1 ALA A 51 95.294 1.470 9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 51 96.817 0.583 10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 51 95.461 -0.196 9.373 1.00 0.00 H new ATOM 772 N ASN A 52 93.173 -0.994 10.585 1.00 0.00 N ATOM 773 CA ASN A 52 91.730 -1.162 10.452 1.00 0.00 C ATOM 774 C ASN A 52 91.149 -1.759 11.731 1.00 0.00 C ATOM 775 O ASN A 52 89.984 -1.537 12.062 1.00 0.00 O ATOM 776 CB ASN A 52 91.421 -2.083 9.265 1.00 0.00 C ATOM 777 CG ASN A 52 91.272 -1.267 7.986 1.00 0.00 C ATOM 778 OD1 ASN A 52 91.797 -0.158 7.888 1.00 0.00 O ATOM 779 ND2 ASN A 52 90.581 -1.757 6.993 1.00 0.00 N ATOM 0 H ASN A 52 93.730 -1.586 9.969 1.00 0.00 H new ATOM 0 HA ASN A 52 91.277 -0.186 10.279 1.00 0.00 H new ATOM 0 HB2 ASN A 52 92.220 -2.815 9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 52 90.504 -2.640 9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 52 90.475 -1.221 6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 52 90.147 -2.676 7.078 1.00 0.00 H new ATOM 786 N LYS A 53 91.977 -2.508 12.447 1.00 0.00 N ATOM 787 CA LYS A 53 91.555 -3.131 13.692 1.00 0.00 C ATOM 788 C LYS A 53 91.715 -2.135 14.833 1.00 0.00 C ATOM 789 O LYS A 53 91.221 -2.350 15.940 1.00 0.00 O ATOM 790 CB LYS A 53 92.396 -4.398 13.936 1.00 0.00 C ATOM 791 CG LYS A 53 92.720 -4.563 15.425 1.00 0.00 C ATOM 792 CD LYS A 53 93.431 -5.900 15.646 1.00 0.00 C ATOM 793 CE LYS A 53 93.468 -6.217 17.142 1.00 0.00 C ATOM 794 NZ LYS A 53 94.380 -7.370 17.383 1.00 0.00 N1+ ATOM 0 H LYS A 53 92.945 -2.698 12.186 1.00 0.00 H new ATOM 0 HA LYS A 53 90.506 -3.420 13.634 1.00 0.00 H new ATOM 0 HB2 LYS A 53 91.854 -5.273 13.579 1.00 0.00 H new ATOM 0 HB3 LYS A 53 93.321 -4.341 13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.352 -3.742 15.764 1.00 0.00 H new ATOM 0 HG3 LYS A 53 91.804 -4.524 16.014 1.00 0.00 H new ATOM 0 HD2 LYS A 53 92.912 -6.693 15.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 94.445 -5.855 15.248 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.810 -5.346 17.701 1.00 0.00 H new ATOM 0 HE3 LYS A 53 92.465 -6.452 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.405 -7.586 18.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.035 -8.201 16.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.338 -7.129 17.056 1.00 0.00 H new ATOM 808 N ASN A 54 92.406 -1.039 14.547 1.00 0.00 N ATOM 809 CA ASN A 54 92.625 -0.007 15.549 1.00 0.00 C ATOM 810 C ASN A 54 91.301 0.630 15.939 1.00 0.00 C ATOM 811 O ASN A 54 91.182 1.256 16.992 1.00 0.00 O ATOM 812 CB ASN A 54 93.565 1.061 14.988 1.00 0.00 C ATOM 813 CG ASN A 54 92.776 2.195 14.334 1.00 0.00 C ATOM 814 OD1 ASN A 54 93.119 3.366 14.500 1.00 0.00 O ATOM 815 ND2 ASN A 54 91.735 1.918 13.598 1.00 0.00 N ATOM 0 H ASN A 54 92.821 -0.843 13.636 1.00 0.00 H new ATOM 0 HA ASN A 54 93.075 -0.459 16.433 1.00 0.00 H new ATOM 0 HB2 ASN A 54 94.187 1.461 15.789 1.00 0.00 H new ATOM 0 HB3 ASN A 54 94.237 0.612 14.257 1.00 0.00 H new ATOM 0 HD21 ASN A 54 91.205 2.671 13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 54 91.451 0.948 13.461 1.00 0.00 H new ATOM 822 N LYS A 55 90.313 0.457 15.077 1.00 0.00 N ATOM 823 CA LYS A 55 88.987 1.012 15.330 1.00 0.00 C ATOM 824 C LYS A 55 89.076 2.516 15.570 1.00 0.00 C ATOM 825 O LYS A 55 88.785 2.997 16.665 1.00 0.00 O ATOM 826 CB LYS A 55 88.363 0.336 16.554 1.00 0.00 C ATOM 827 CG LYS A 55 88.066 -1.132 16.235 1.00 0.00 C ATOM 828 CD LYS A 55 87.181 -1.725 17.334 1.00 0.00 C ATOM 829 CE LYS A 55 87.150 -3.249 17.198 1.00 0.00 C ATOM 830 NZ LYS A 55 88.444 -3.817 17.673 1.00 0.00 N1+ ATOM 0 H LYS A 55 90.399 -0.059 14.201 1.00 0.00 H new ATOM 0 HA LYS A 55 88.363 0.829 14.456 1.00 0.00 H new ATOM 0 HB2 LYS A 55 89.041 0.404 17.405 1.00 0.00 H new ATOM 0 HB3 LYS A 55 87.444 0.850 16.837 1.00 0.00 H new ATOM 0 HG2 LYS A 55 87.567 -1.211 15.269 1.00 0.00 H new ATOM 0 HG3 LYS A 55 88.997 -1.694 16.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 87.564 -1.445 18.315 1.00 0.00 H new ATOM 0 HD3 LYS A 55 86.171 -1.322 17.259 1.00 0.00 H new ATOM 0 HE2 LYS A 55 86.325 -3.660 17.780 1.00 0.00 H new ATOM 0 HE3 LYS A 55 86.978 -3.529 16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 88.326 -4.831 17.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 89.169 -3.689 16.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 88.740 -3.327 18.541 1.00 0.00 H new ATOM 844 N GLY A 56 89.492 3.252 14.544 1.00 0.00 N ATOM 845 CA GLY A 56 89.628 4.701 14.661 1.00 0.00 C ATOM 846 C GLY A 56 88.357 5.422 14.221 1.00 0.00 C ATOM 847 O GLY A 56 87.997 6.457 14.782 1.00 0.00 O ATOM 0 H GLY A 56 89.739 2.874 13.629 1.00 0.00 H new ATOM 0 HA2 GLY A 56 89.857 4.963 15.694 1.00 0.00 H new ATOM 0 HA3 GLY A 56 90.467 5.038 14.053 1.00 0.00 H new ATOM 851 N ILE A 57 87.684 4.877 13.213 1.00 0.00 N ATOM 852 CA ILE A 57 86.457 5.490 12.708 1.00 0.00 C ATOM 853 C ILE A 57 85.470 4.424 12.252 1.00 0.00 C ATOM 854 O ILE A 57 85.738 3.228 12.357 1.00 0.00 O ATOM 855 CB ILE A 57 86.779 6.423 11.537 1.00 0.00 C ATOM 856 CG1 ILE A 57 87.364 5.610 10.366 1.00 0.00 C ATOM 857 CG2 ILE A 57 87.800 7.469 11.994 1.00 0.00 C ATOM 858 CD1 ILE A 57 86.261 5.261 9.356 1.00 0.00 C ATOM 0 H ILE A 57 87.962 4.021 12.733 1.00 0.00 H new ATOM 0 HA ILE A 57 86.005 6.064 13.517 1.00 0.00 H new ATOM 0 HB ILE A 57 85.866 6.918 11.206 1.00 0.00 H new ATOM 0 HG12 ILE A 57 88.150 6.183 9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.824 4.696 10.743 1.00 0.00 H new ATOM 0 HG21 ILE A 57 88.033 8.136 11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.384 8.047 12.819 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.710 6.969 12.324 1.00 0.00 H new ATOM 0 HD11 ILE A 57 86.689 4.687 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 57 85.490 4.669 9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.821 6.179 8.967 1.00 0.00 H new ATOM 870 N THR A 58 84.325 4.871 11.741 1.00 0.00 N ATOM 871 CA THR A 58 83.294 3.955 11.263 1.00 0.00 C ATOM 872 C THR A 58 82.961 4.239 9.803 1.00 0.00 C ATOM 873 O THR A 58 82.895 5.395 9.384 1.00 0.00 O ATOM 874 CB THR A 58 82.032 4.096 12.121 1.00 0.00 C ATOM 875 OG1 THR A 58 82.197 3.363 13.326 1.00 0.00 O ATOM 876 CG2 THR A 58 80.817 3.556 11.359 1.00 0.00 C ATOM 0 H THR A 58 84.089 5.859 11.648 1.00 0.00 H new ATOM 0 HA THR A 58 83.672 2.936 11.342 1.00 0.00 H new ATOM 0 HB THR A 58 81.871 5.150 12.350 1.00 0.00 H new ATOM 0 HG1 THR A 58 81.392 3.453 13.877 1.00 0.00 H new ATOM 0 HG21 THR A 58 79.925 3.660 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 58 80.687 4.120 10.435 1.00 0.00 H new ATOM 0 HG23 THR A 58 80.974 2.504 11.123 1.00 0.00 H new ATOM 884 N TRP A 59 82.745 3.175 9.034 1.00 0.00 N ATOM 885 CA TRP A 59 82.411 3.324 7.624 1.00 0.00 C ATOM 886 C TRP A 59 81.087 4.063 7.467 1.00 0.00 C ATOM 887 O TRP A 59 80.127 3.801 8.191 1.00 0.00 O ATOM 888 CB TRP A 59 82.306 1.953 6.951 1.00 0.00 C ATOM 889 CG TRP A 59 83.424 1.069 7.407 1.00 0.00 C ATOM 890 CD1 TRP A 59 84.717 1.447 7.517 1.00 0.00 C ATOM 891 CD2 TRP A 59 83.374 -0.334 7.811 1.00 0.00 C ATOM 892 NE1 TRP A 59 85.462 0.367 7.957 1.00 0.00 N ATOM 893 CE2 TRP A 59 84.678 -0.750 8.160 1.00 0.00 C ATOM 894 CE3 TRP A 59 82.335 -1.275 7.909 1.00 0.00 C ATOM 895 CZ2 TRP A 59 84.940 -2.052 8.593 1.00 0.00 C ATOM 896 CZ3 TRP A 59 82.597 -2.586 8.340 1.00 0.00 C ATOM 897 CH2 TRP A 59 83.896 -2.972 8.683 1.00 0.00 C ATOM 0 H TRP A 59 82.795 2.210 9.361 1.00 0.00 H new ATOM 0 HA TRP A 59 83.205 3.899 7.147 1.00 0.00 H new ATOM 0 HB2 TRP A 59 81.347 1.494 7.192 1.00 0.00 H new ATOM 0 HB3 TRP A 59 82.341 2.067 5.868 1.00 0.00 H new ATOM 0 HD1 TRP A 59 85.105 2.431 7.297 1.00 0.00 H new ATOM 0 HE1 TRP A 59 86.470 0.394 8.113 1.00 0.00 H new ATOM 0 HE3 TRP A 59 81.326 -0.988 7.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 85.946 -2.344 8.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 81.790 -3.300 8.407 1.00 0.00 H new ATOM 0 HH2 TRP A 59 84.091 -3.980 9.017 1.00 0.00 H new ATOM 908 N LYS A 60 81.047 4.980 6.510 1.00 0.00 N ATOM 909 CA LYS A 60 79.842 5.756 6.245 1.00 0.00 C ATOM 910 C LYS A 60 79.850 6.227 4.796 1.00 0.00 C ATOM 911 O LYS A 60 80.612 5.711 3.982 1.00 0.00 O ATOM 912 CB LYS A 60 79.773 6.961 7.190 1.00 0.00 C ATOM 913 CG LYS A 60 79.562 6.474 8.628 1.00 0.00 C ATOM 914 CD LYS A 60 79.073 7.632 9.504 1.00 0.00 C ATOM 915 CE LYS A 60 80.213 8.626 9.729 1.00 0.00 C ATOM 916 NZ LYS A 60 79.794 9.639 10.738 1.00 0.00 N1+ ATOM 0 H LYS A 60 81.836 5.205 5.903 1.00 0.00 H new ATOM 0 HA LYS A 60 78.966 5.130 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 60 80.693 7.542 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 60 78.957 7.621 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 60 78.834 5.662 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 60 80.494 6.074 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 60 78.231 8.132 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 60 78.716 7.251 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 60 81.105 8.102 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 60 80.473 9.117 8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 80.568 10.316 10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.954 10.146 10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 79.567 9.163 11.634 1.00 0.00 H new ATOM 930 N GLU A 61 79.005 7.197 4.470 1.00 0.00 N ATOM 931 CA GLU A 61 78.947 7.702 3.103 1.00 0.00 C ATOM 932 C GLU A 61 80.134 8.619 2.815 1.00 0.00 C ATOM 933 O GLU A 61 80.921 8.363 1.902 1.00 0.00 O ATOM 934 CB GLU A 61 77.639 8.468 2.886 1.00 0.00 C ATOM 935 CG GLU A 61 77.640 9.100 1.492 1.00 0.00 C ATOM 936 CD GLU A 61 76.224 9.518 1.109 1.00 0.00 C ATOM 937 OE1 GLU A 61 75.477 8.664 0.660 1.00 0.00 O1- ATOM 938 OE2 GLU A 61 75.908 10.685 1.271 1.00 0.00 O ATOM 0 H GLU A 61 78.360 7.644 5.121 1.00 0.00 H new ATOM 0 HA GLU A 61 78.989 6.853 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.789 7.793 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 61 77.528 9.241 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 61 78.301 9.967 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 61 78.029 8.390 0.762 1.00 0.00 H new ATOM 945 N GLU A 62 80.261 9.683 3.600 1.00 0.00 N ATOM 946 CA GLU A 62 81.358 10.627 3.412 1.00 0.00 C ATOM 947 C GLU A 62 82.691 9.985 3.777 1.00 0.00 C ATOM 948 O GLU A 62 83.696 10.194 3.100 1.00 0.00 O ATOM 949 CB GLU A 62 81.136 11.873 4.274 1.00 0.00 C ATOM 950 CG GLU A 62 79.694 12.372 4.110 1.00 0.00 C ATOM 951 CD GLU A 62 78.780 11.695 5.128 1.00 0.00 C ATOM 952 OE1 GLU A 62 79.187 11.573 6.271 1.00 0.00 O1- ATOM 953 OE2 GLU A 62 77.687 11.309 4.748 1.00 0.00 O ATOM 0 H GLU A 62 79.626 9.913 4.365 1.00 0.00 H new ATOM 0 HA GLU A 62 81.383 10.914 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 62 81.333 11.641 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 62 81.836 12.656 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.659 13.453 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 62 79.342 12.163 3.100 1.00 0.00 H new ATOM 960 N THR A 63 82.695 9.199 4.846 1.00 0.00 N ATOM 961 CA THR A 63 83.918 8.534 5.274 1.00 0.00 C ATOM 962 C THR A 63 84.462 7.675 4.144 1.00 0.00 C ATOM 963 O THR A 63 85.674 7.575 3.951 1.00 0.00 O ATOM 964 CB THR A 63 83.642 7.654 6.492 1.00 0.00 C ATOM 965 OG1 THR A 63 82.698 6.654 6.144 1.00 0.00 O ATOM 966 CG2 THR A 63 83.087 8.510 7.626 1.00 0.00 C ATOM 0 H THR A 63 81.877 9.008 5.425 1.00 0.00 H new ATOM 0 HA THR A 63 84.653 9.293 5.540 1.00 0.00 H new ATOM 0 HB THR A 63 84.569 7.182 6.819 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.169 5.855 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.891 7.881 8.494 1.00 0.00 H new ATOM 0 HG22 THR A 63 83.814 9.278 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 63 82.160 8.984 7.304 1.00 0.00 H new ATOM 974 N LEU A 64 83.554 7.059 3.396 1.00 0.00 N ATOM 975 CA LEU A 64 83.956 6.214 2.283 1.00 0.00 C ATOM 976 C LEU A 64 84.575 7.065 1.178 1.00 0.00 C ATOM 977 O LEU A 64 85.486 6.621 0.483 1.00 0.00 O ATOM 978 CB LEU A 64 82.747 5.446 1.729 1.00 0.00 C ATOM 979 CG LEU A 64 82.856 3.952 2.073 1.00 0.00 C ATOM 980 CD1 LEU A 64 81.548 3.243 1.697 1.00 0.00 C ATOM 981 CD2 LEU A 64 84.025 3.321 1.297 1.00 0.00 C ATOM 0 H LEU A 64 82.546 7.128 3.539 1.00 0.00 H new ATOM 0 HA LEU A 64 84.695 5.497 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.827 5.855 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 64 82.692 5.573 0.648 1.00 0.00 H new ATOM 0 HG LEU A 64 83.036 3.842 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.625 2.183 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.722 3.684 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.367 3.357 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.097 2.262 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 64 83.853 3.432 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.954 3.821 1.569 1.00 0.00 H new ATOM 993 N MET A 65 84.070 8.288 1.017 1.00 0.00 N ATOM 994 CA MET A 65 84.592 9.181 -0.017 1.00 0.00 C ATOM 995 C MET A 65 86.080 9.440 0.194 1.00 0.00 C ATOM 996 O MET A 65 86.895 9.182 -0.691 1.00 0.00 O ATOM 997 CB MET A 65 83.840 10.512 -0.006 1.00 0.00 C ATOM 998 CG MET A 65 82.369 10.267 -0.334 1.00 0.00 C ATOM 999 SD MET A 65 81.435 11.800 -0.088 1.00 0.00 S ATOM 1000 CE MET A 65 81.077 12.134 -1.827 1.00 0.00 C ATOM 0 H MET A 65 83.313 8.678 1.579 1.00 0.00 H new ATOM 0 HA MET A 65 84.448 8.695 -0.982 1.00 0.00 H new ATOM 0 HB2 MET A 65 83.932 10.986 0.971 1.00 0.00 H new ATOM 0 HB3 MET A 65 84.277 11.195 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 65 82.266 9.927 -1.364 1.00 0.00 H new ATOM 0 HG3 MET A 65 81.969 9.478 0.303 1.00 0.00 H new ATOM 0 HE1 MET A 65 80.497 13.053 -1.909 1.00 0.00 H new ATOM 0 HE2 MET A 65 82.012 12.244 -2.376 1.00 0.00 H new ATOM 0 HE3 MET A 65 80.506 11.306 -2.246 1.00 0.00 H new ATOM 1010 N GLU A 66 86.429 9.946 1.372 1.00 0.00 N ATOM 1011 CA GLU A 66 87.825 10.227 1.681 1.00 0.00 C ATOM 1012 C GLU A 66 88.648 8.951 1.563 1.00 0.00 C ATOM 1013 O GLU A 66 89.827 8.985 1.214 1.00 0.00 O ATOM 1014 CB GLU A 66 87.945 10.789 3.098 1.00 0.00 C ATOM 1015 CG GLU A 66 87.295 12.172 3.156 1.00 0.00 C ATOM 1016 CD GLU A 66 88.162 13.187 2.419 1.00 0.00 C ATOM 1017 OE1 GLU A 66 89.320 13.319 2.779 1.00 0.00 O1- ATOM 1018 OE2 GLU A 66 87.655 13.817 1.506 1.00 0.00 O ATOM 0 H GLU A 66 85.772 10.168 2.120 1.00 0.00 H new ATOM 0 HA GLU A 66 88.202 10.964 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 66 87.462 10.118 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 66 88.994 10.856 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 66 86.302 12.135 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.165 12.478 4.194 1.00 0.00 H new ATOM 1025 N TYR A 67 88.008 7.826 1.851 1.00 0.00 N ATOM 1026 CA TYR A 67 88.672 6.532 1.769 1.00 0.00 C ATOM 1027 C TYR A 67 88.767 6.084 0.314 1.00 0.00 C ATOM 1028 O TYR A 67 89.674 5.344 -0.063 1.00 0.00 O ATOM 1029 CB TYR A 67 87.882 5.503 2.581 1.00 0.00 C ATOM 1030 CG TYR A 67 88.454 4.121 2.374 1.00 0.00 C ATOM 1031 CD1 TYR A 67 89.474 3.652 3.211 1.00 0.00 C ATOM 1032 CD2 TYR A 67 87.957 3.305 1.351 1.00 0.00 C ATOM 1033 CE1 TYR A 67 89.997 2.367 3.024 1.00 0.00 C ATOM 1034 CE2 TYR A 67 88.481 2.020 1.164 1.00 0.00 C ATOM 1035 CZ TYR A 67 89.501 1.551 2.001 1.00 0.00 C ATOM 1036 OH TYR A 67 90.016 0.284 1.817 1.00 0.00 O ATOM 0 H TYR A 67 87.032 7.783 2.143 1.00 0.00 H new ATOM 0 HA TYR A 67 89.680 6.618 2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 67 87.914 5.762 3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 67 86.834 5.519 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 67 89.857 4.281 4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 67 87.170 3.666 0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 67 90.784 2.005 3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 67 88.098 1.391 0.374 1.00 0.00 H new ATOM 0 HH TYR A 67 89.983 0.053 0.865 1.00 0.00 H new ATOM 1046 N LEU A 68 87.815 6.540 -0.492 1.00 0.00 N ATOM 1047 CA LEU A 68 87.776 6.185 -1.906 1.00 0.00 C ATOM 1048 C LEU A 68 88.768 7.027 -2.708 1.00 0.00 C ATOM 1049 O LEU A 68 89.197 6.629 -3.791 1.00 0.00 O ATOM 1050 CB LEU A 68 86.353 6.397 -2.447 1.00 0.00 C ATOM 1051 CG LEU A 68 85.550 5.093 -2.358 1.00 0.00 C ATOM 1052 CD1 LEU A 68 84.088 5.370 -2.700 1.00 0.00 C ATOM 1053 CD2 LEU A 68 86.101 4.064 -3.344 1.00 0.00 C ATOM 0 H LEU A 68 87.060 7.156 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 68 88.057 5.137 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 85.853 7.180 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 68 86.397 6.735 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 68 85.630 4.701 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 68 83.518 4.443 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 68 83.681 6.096 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 68 84.020 5.769 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 68 85.522 3.143 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 68 86.030 4.457 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 68 87.145 3.856 -3.108 1.00 0.00 H new ATOM 1065 N GLU A 69 89.129 8.188 -2.172 1.00 0.00 N ATOM 1066 CA GLU A 69 90.072 9.072 -2.851 1.00 0.00 C ATOM 1067 C GLU A 69 91.492 8.804 -2.364 1.00 0.00 C ATOM 1068 O GLU A 69 92.463 9.304 -2.931 1.00 0.00 O ATOM 1069 CB GLU A 69 89.692 10.537 -2.595 1.00 0.00 C ATOM 1070 CG GLU A 69 90.400 11.061 -1.341 1.00 0.00 C ATOM 1071 CD GLU A 69 89.704 12.322 -0.837 1.00 0.00 C ATOM 1072 OE1 GLU A 69 88.927 12.886 -1.588 1.00 0.00 O ATOM 1073 OE2 GLU A 69 89.960 12.704 0.293 1.00 0.00 O1- ATOM 0 H GLU A 69 88.787 8.538 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 69 90.029 8.877 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 69 89.966 11.146 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 69 88.612 10.623 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 69 90.394 10.297 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 69 91.444 11.278 -1.567 1.00 0.00 H new ATOM 1080 N ASN A 70 91.597 8.008 -1.307 1.00 0.00 N ATOM 1081 CA ASN A 70 92.895 7.669 -0.737 1.00 0.00 C ATOM 1082 C ASN A 70 92.728 6.614 0.357 1.00 0.00 C ATOM 1083 O ASN A 70 92.901 6.893 1.544 1.00 0.00 O ATOM 1084 CB ASN A 70 93.560 8.928 -0.165 1.00 0.00 C ATOM 1085 CG ASN A 70 95.077 8.817 -0.277 1.00 0.00 C ATOM 1086 OD1 ASN A 70 95.741 9.771 -0.683 1.00 0.00 O ATOM 1087 ND2 ASN A 70 95.669 7.704 0.060 1.00 0.00 N ATOM 0 H ASN A 70 90.801 7.586 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 70 93.532 7.261 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 70 93.211 9.809 -0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 70 93.273 9.058 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 70 96.683 7.624 -0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 70 95.118 6.915 0.396 1.00 0.00 H new ATOM 1094 N PRO A 71 92.382 5.418 -0.032 1.00 0.00 N ATOM 1095 CA PRO A 71 92.165 4.281 0.913 1.00 0.00 C ATOM 1096 C PRO A 71 93.319 4.093 1.899 1.00 0.00 C ATOM 1097 O PRO A 71 93.106 3.712 3.051 1.00 0.00 O ATOM 1098 CB PRO A 71 92.042 3.061 -0.009 1.00 0.00 C ATOM 1099 CG PRO A 71 91.604 3.600 -1.331 1.00 0.00 C ATOM 1100 CD PRO A 71 92.160 5.020 -1.431 1.00 0.00 C ATOM 0 HA PRO A 71 91.290 4.449 1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 71 92.994 2.537 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.319 2.345 0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 71 91.978 2.979 -2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 71 90.517 3.604 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 71 93.087 5.046 -2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 71 91.458 5.689 -1.929 1.00 0.00 H new ATOM 1108 N LYS A 72 94.538 4.333 1.433 1.00 0.00 N ATOM 1109 CA LYS A 72 95.716 4.156 2.276 1.00 0.00 C ATOM 1110 C LYS A 72 95.920 5.331 3.229 1.00 0.00 C ATOM 1111 O LYS A 72 96.162 5.137 4.420 1.00 0.00 O ATOM 1112 CB LYS A 72 96.955 4.005 1.390 1.00 0.00 C ATOM 1113 CG LYS A 72 98.195 3.717 2.252 1.00 0.00 C ATOM 1114 CD LYS A 72 98.192 2.259 2.741 1.00 0.00 C ATOM 1115 CE LYS A 72 98.131 1.293 1.549 1.00 0.00 C ATOM 1116 NZ LYS A 72 96.711 0.934 1.273 1.00 0.00 N1+ ATOM 0 H LYS A 72 94.737 4.648 0.484 1.00 0.00 H new ATOM 0 HA LYS A 72 95.562 3.260 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 72 96.804 3.195 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 72 97.110 4.915 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 72 99.099 3.910 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 72 98.214 4.392 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 72 99.089 2.064 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 72 97.338 2.091 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 72 98.578 1.756 0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 72 98.709 0.395 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 96.521 -0.026 1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 96.083 1.609 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 96.537 0.969 0.248 1.00 0.00 H new ATOM 1130 N LYS A 73 95.850 6.546 2.701 1.00 0.00 N ATOM 1131 CA LYS A 73 96.062 7.730 3.524 1.00 0.00 C ATOM 1132 C LYS A 73 95.000 7.849 4.616 1.00 0.00 C ATOM 1133 O LYS A 73 95.272 8.369 5.698 1.00 0.00 O ATOM 1134 CB LYS A 73 96.056 8.990 2.650 1.00 0.00 C ATOM 1135 CG LYS A 73 96.576 10.194 3.453 1.00 0.00 C ATOM 1136 CD LYS A 73 95.455 10.789 4.328 1.00 0.00 C ATOM 1137 CE LYS A 73 95.354 12.298 4.085 1.00 0.00 C ATOM 1138 NZ LYS A 73 96.641 12.950 4.461 1.00 0.00 N1+ ATOM 0 H LYS A 73 95.651 6.737 1.719 1.00 0.00 H new ATOM 0 HA LYS A 73 97.034 7.630 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 73 96.679 8.834 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 73 95.045 9.190 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 73 97.410 9.885 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 73 96.956 10.955 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 73 94.505 10.309 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 73 95.660 10.594 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 73 95.128 12.494 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 73 94.537 12.718 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 96.470 13.950 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 97.044 12.469 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 97.308 12.886 3.665 1.00 0.00 H new ATOM 1152 N TYR A 74 93.792 7.371 4.334 1.00 0.00 N ATOM 1153 CA TYR A 74 92.713 7.444 5.315 1.00 0.00 C ATOM 1154 C TYR A 74 93.034 6.573 6.527 1.00 0.00 C ATOM 1155 O TYR A 74 93.080 7.060 7.657 1.00 0.00 O ATOM 1156 CB TYR A 74 91.391 6.995 4.677 1.00 0.00 C ATOM 1157 CG TYR A 74 90.233 7.743 5.303 1.00 0.00 C ATOM 1158 CD1 TYR A 74 90.164 9.139 5.204 1.00 0.00 C ATOM 1159 CD2 TYR A 74 89.228 7.042 5.984 1.00 0.00 C ATOM 1160 CE1 TYR A 74 89.094 9.831 5.784 1.00 0.00 C ATOM 1161 CE2 TYR A 74 88.159 7.735 6.563 1.00 0.00 C ATOM 1162 CZ TYR A 74 88.092 9.129 6.464 1.00 0.00 C ATOM 1163 OH TYR A 74 87.038 9.812 7.036 1.00 0.00 O ATOM 0 H TYR A 74 93.537 6.935 3.448 1.00 0.00 H new ATOM 0 HA TYR A 74 92.613 8.477 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 74 91.415 7.179 3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 74 91.258 5.922 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 74 90.937 9.682 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 74 89.279 5.966 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 74 89.042 10.907 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 74 87.385 7.193 7.087 1.00 0.00 H new ATOM 0 HH TYR A 74 86.431 9.175 7.468 1.00 0.00 H new ATOM 1173 N ILE A 75 93.265 5.286 6.283 1.00 0.00 N ATOM 1174 CA ILE A 75 93.594 4.352 7.359 1.00 0.00 C ATOM 1175 C ILE A 75 94.867 3.584 7.010 1.00 0.00 C ATOM 1176 O ILE A 75 94.821 2.389 6.715 1.00 0.00 O ATOM 1177 CB ILE A 75 92.439 3.368 7.575 1.00 0.00 C ATOM 1178 CG1 ILE A 75 91.136 4.147 7.783 1.00 0.00 C ATOM 1179 CG2 ILE A 75 92.718 2.511 8.813 1.00 0.00 C ATOM 1180 CD1 ILE A 75 89.943 3.208 7.595 1.00 0.00 C ATOM 0 H ILE A 75 93.231 4.866 5.354 1.00 0.00 H new ATOM 0 HA ILE A 75 93.756 4.917 8.277 1.00 0.00 H new ATOM 0 HB ILE A 75 92.346 2.725 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 75 91.116 4.582 8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 75 91.077 4.973 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 75 91.895 1.812 8.965 1.00 0.00 H new ATOM 0 HG22 ILE A 75 93.645 1.955 8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 75 92.813 3.155 9.687 1.00 0.00 H new ATOM 0 HD11 ILE A 75 89.016 3.763 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 75 89.961 2.794 6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 90.000 2.397 8.321 1.00 0.00 H new ATOM 1192 N PRO A 76 95.993 4.250 7.031 1.00 0.00 N ATOM 1193 CA PRO A 76 97.308 3.630 6.702 1.00 0.00 C ATOM 1194 C PRO A 76 97.453 2.233 7.294 1.00 0.00 C ATOM 1195 O PRO A 76 96.874 1.927 8.335 1.00 0.00 O ATOM 1196 CB PRO A 76 98.316 4.601 7.316 1.00 0.00 C ATOM 1197 CG PRO A 76 97.646 5.936 7.262 1.00 0.00 C ATOM 1198 CD PRO A 76 96.139 5.675 7.376 1.00 0.00 C ATOM 0 HA PRO A 76 97.443 3.487 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 76 98.559 4.322 8.341 1.00 0.00 H new ATOM 0 HB3 PRO A 76 99.251 4.606 6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 76 97.991 6.576 8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 76 97.881 6.450 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 76 95.774 5.881 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 76 95.572 6.310 6.695 1.00 0.00 H new ATOM 1206 N GLY A 77 98.225 1.388 6.621 1.00 0.00 N ATOM 1207 CA GLY A 77 98.435 0.021 7.085 1.00 0.00 C ATOM 1208 C GLY A 77 97.412 -0.921 6.462 1.00 0.00 C ATOM 1209 O GLY A 77 97.678 -2.109 6.282 1.00 0.00 O ATOM 0 H GLY A 77 98.714 1.623 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 77 99.442 -0.306 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 77 98.357 -0.016 8.172 1.00 0.00 H new ATOM 1213 N THR A 78 96.242 -0.381 6.132 1.00 0.00 N ATOM 1214 CA THR A 78 95.186 -1.183 5.525 1.00 0.00 C ATOM 1215 C THR A 78 95.701 -1.875 4.268 1.00 0.00 C ATOM 1216 O THR A 78 96.524 -1.322 3.539 1.00 0.00 O ATOM 1217 CB THR A 78 93.993 -0.296 5.174 1.00 0.00 C ATOM 1218 OG1 THR A 78 92.915 -1.107 4.728 1.00 0.00 O ATOM 1219 CG2 THR A 78 94.394 0.676 4.068 1.00 0.00 C ATOM 0 H THR A 78 96.003 0.600 6.273 1.00 0.00 H new ATOM 0 HA THR A 78 94.871 -1.942 6.241 1.00 0.00 H new ATOM 0 HB THR A 78 93.682 0.265 6.056 1.00 0.00 H new ATOM 0 HG1 THR A 78 92.149 -0.539 4.504 1.00 0.00 H new ATOM 0 HG21 THR A 78 93.544 1.310 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 78 95.221 1.297 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 78 94.703 0.116 3.186 1.00 0.00 H new ATOM 1227 N LYS A 79 95.219 -3.090 4.022 1.00 0.00 N ATOM 1228 CA LYS A 79 95.651 -3.845 2.848 1.00 0.00 C ATOM 1229 C LYS A 79 94.759 -3.542 1.644 1.00 0.00 C ATOM 1230 O LYS A 79 93.746 -4.205 1.427 1.00 0.00 O ATOM 1231 CB LYS A 79 95.615 -5.351 3.156 1.00 0.00 C ATOM 1232 CG LYS A 79 97.008 -5.838 3.581 1.00 0.00 C ATOM 1233 CD LYS A 79 97.846 -6.157 2.339 1.00 0.00 C ATOM 1234 CE LYS A 79 99.213 -6.693 2.769 1.00 0.00 C ATOM 1235 NZ LYS A 79 99.923 -7.252 1.584 1.00 0.00 N1+ ATOM 0 H LYS A 79 94.538 -3.569 4.611 1.00 0.00 H new ATOM 0 HA LYS A 79 96.670 -3.546 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 79 94.894 -5.550 3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 79 95.282 -5.902 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 79 97.504 -5.074 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 79 96.918 -6.725 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 79 97.333 -6.894 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 79 97.970 -5.261 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 79 99.804 -5.894 3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 79 99.090 -7.464 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 100.852 -7.616 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 99.361 -8.026 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 100.052 -6.505 0.872 1.00 0.00 H new ATOM 1249 N MET A 80 95.155 -2.545 0.855 1.00 0.00 N ATOM 1250 CA MET A 80 94.398 -2.170 -0.337 1.00 0.00 C ATOM 1251 C MET A 80 95.101 -1.038 -1.081 1.00 0.00 C ATOM 1252 O MET A 80 94.925 0.136 -0.756 1.00 0.00 O ATOM 1253 CB MET A 80 92.980 -1.728 0.042 1.00 0.00 C ATOM 1254 CG MET A 80 92.270 -1.180 -1.201 1.00 0.00 C ATOM 1255 SD MET A 80 90.487 -1.075 -0.896 1.00 0.00 S ATOM 1256 CE MET A 80 90.121 0.220 -2.106 1.00 0.00 C ATOM 0 H MET A 80 95.992 -1.985 1.019 1.00 0.00 H new ATOM 0 HA MET A 80 94.337 -3.043 -0.987 1.00 0.00 H new ATOM 0 HB2 MET A 80 92.422 -2.570 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 80 93.020 -0.964 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 80 92.664 -0.195 -1.451 1.00 0.00 H new ATOM 0 HG3 MET A 80 92.464 -1.827 -2.056 1.00 0.00 H new ATOM 0 HE1 MET A 80 89.164 0.012 -2.584 1.00 0.00 H new ATOM 0 HE2 MET A 80 90.073 1.185 -1.602 1.00 0.00 H new ATOM 0 HE3 MET A 80 90.906 0.244 -2.862 1.00 0.00 H new ATOM 1266 N ILE A 81 95.895 -1.402 -2.085 1.00 0.00 N ATOM 1267 CA ILE A 81 96.623 -0.417 -2.881 1.00 0.00 C ATOM 1268 C ILE A 81 96.052 -0.358 -4.296 1.00 0.00 C ATOM 1269 O ILE A 81 96.378 -1.190 -5.142 1.00 0.00 O ATOM 1270 CB ILE A 81 98.109 -0.789 -2.941 1.00 0.00 C ATOM 1271 CG1 ILE A 81 98.763 -0.524 -1.579 1.00 0.00 C ATOM 1272 CG2 ILE A 81 98.811 0.056 -4.008 1.00 0.00 C ATOM 1273 CD1 ILE A 81 98.202 -1.487 -0.525 1.00 0.00 C ATOM 0 H ILE A 81 96.051 -2.370 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 81 96.515 0.561 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 81 98.201 -1.846 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 81 99.843 -0.647 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 81 98.581 0.507 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 81 99.867 -0.212 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 81 98.353 -0.131 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 81 98.713 1.112 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 81 98.674 -1.289 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 81 97.125 -1.343 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 81 98.407 -2.515 -0.825 1.00 0.00 H new ATOM 1285 N PHE A 82 95.197 0.630 -4.546 1.00 0.00 N ATOM 1286 CA PHE A 82 94.586 0.787 -5.863 1.00 0.00 C ATOM 1287 C PHE A 82 94.428 2.265 -6.206 1.00 0.00 C ATOM 1288 O PHE A 82 94.449 3.123 -5.323 1.00 0.00 O ATOM 1289 CB PHE A 82 93.216 0.097 -5.887 1.00 0.00 C ATOM 1290 CG PHE A 82 92.922 -0.410 -7.281 1.00 0.00 C ATOM 1291 CD1 PHE A 82 93.449 -1.636 -7.704 1.00 0.00 C ATOM 1292 CD2 PHE A 82 92.124 0.346 -8.148 1.00 0.00 C ATOM 1293 CE1 PHE A 82 93.177 -2.107 -8.994 1.00 0.00 C ATOM 1294 CE2 PHE A 82 91.853 -0.125 -9.438 1.00 0.00 C ATOM 1295 CZ PHE A 82 92.379 -1.351 -9.861 1.00 0.00 C ATOM 0 H PHE A 82 94.913 1.329 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 82 95.236 0.325 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 82 93.203 -0.731 -5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 82 92.441 0.796 -5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 82 94.065 -2.218 -7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.718 1.292 -7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 82 93.583 -3.053 -9.320 1.00 0.00 H new ATOM 0 HE2 PHE A 82 91.238 0.458 -10.107 1.00 0.00 H new ATOM 0 HZ PHE A 82 92.169 -1.714 -10.856 1.00 0.00 H new ATOM 1305 N ALA A 83 94.272 2.556 -7.493 1.00 0.00 N ATOM 1306 CA ALA A 83 94.114 3.934 -7.941 1.00 0.00 C ATOM 1307 C ALA A 83 92.870 4.564 -7.323 1.00 0.00 C ATOM 1308 O ALA A 83 91.744 4.202 -7.664 1.00 0.00 O ATOM 1309 CB ALA A 83 94.006 3.977 -9.466 1.00 0.00 C ATOM 0 H ALA A 83 94.252 1.861 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 83 94.988 4.501 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.888 5.010 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.910 3.558 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 83 93.142 3.394 -9.786 1.00 0.00 H new ATOM 1315 N GLY A 84 93.081 5.512 -6.415 1.00 0.00 N ATOM 1316 CA GLY A 84 91.969 6.191 -5.759 1.00 0.00 C ATOM 1317 C GLY A 84 91.071 6.871 -6.785 1.00 0.00 C ATOM 1318 O GLY A 84 91.383 6.899 -7.975 1.00 0.00 O ATOM 0 H GLY A 84 94.005 5.826 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.389 5.473 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 84 92.352 6.931 -5.057 1.00 0.00 H new ATOM 1322 N ILE A 85 89.957 7.422 -6.317 1.00 0.00 N ATOM 1323 CA ILE A 85 89.022 8.103 -7.206 1.00 0.00 C ATOM 1324 C ILE A 85 89.482 9.538 -7.457 1.00 0.00 C ATOM 1325 O ILE A 85 90.267 10.088 -6.684 1.00 0.00 O ATOM 1326 CB ILE A 85 87.625 8.099 -6.582 1.00 0.00 C ATOM 1327 CG1 ILE A 85 87.104 6.651 -6.497 1.00 0.00 C ATOM 1328 CG2 ILE A 85 86.678 8.948 -7.433 1.00 0.00 C ATOM 1329 CD1 ILE A 85 86.373 6.266 -7.788 1.00 0.00 C ATOM 0 H ILE A 85 89.680 7.411 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 85 88.990 7.577 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 85 87.673 8.521 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.936 5.968 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.430 6.550 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 85 85.684 8.943 -6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 85 87.050 9.972 -7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 85 86.625 8.535 -8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 85 86.012 5.240 -7.710 1.00 0.00 H new ATOM 0 HD12 ILE A 85 85.528 6.937 -7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.058 6.346 -8.632 1.00 0.00 H new ATOM 1341 N LYS A 86 89.005 10.135 -8.549 1.00 0.00 N ATOM 1342 CA LYS A 86 89.397 11.501 -8.895 1.00 0.00 C ATOM 1343 C LYS A 86 88.284 12.504 -8.592 1.00 0.00 C ATOM 1344 O LYS A 86 88.432 13.354 -7.714 1.00 0.00 O ATOM 1345 CB LYS A 86 89.754 11.577 -10.383 1.00 0.00 C ATOM 1346 CG LYS A 86 91.010 10.730 -10.668 1.00 0.00 C ATOM 1347 CD LYS A 86 90.619 9.430 -11.384 1.00 0.00 C ATOM 1348 CE LYS A 86 90.411 9.702 -12.877 1.00 0.00 C ATOM 1349 NZ LYS A 86 90.192 8.412 -13.591 1.00 0.00 N1+ ATOM 0 H LYS A 86 88.354 9.700 -9.203 1.00 0.00 H new ATOM 0 HA LYS A 86 90.263 11.760 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 86 88.919 11.218 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 86 89.931 12.613 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 86 91.708 11.297 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 86 91.522 10.500 -9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.398 8.680 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 86 89.706 9.025 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 86 89.554 10.360 -13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.280 10.215 -13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.051 8.596 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.022 7.799 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.350 7.940 -13.204 1.00 0.00 H new ATOM 1363 N LYS A 87 87.183 12.420 -9.334 1.00 0.00 N ATOM 1364 CA LYS A 87 86.074 13.351 -9.138 1.00 0.00 C ATOM 1365 C LYS A 87 85.203 12.939 -7.955 1.00 0.00 C ATOM 1366 O LYS A 87 85.243 11.794 -7.503 1.00 0.00 O ATOM 1367 CB LYS A 87 85.219 13.419 -10.406 1.00 0.00 C ATOM 1368 CG LYS A 87 86.117 13.281 -11.639 1.00 0.00 C ATOM 1369 CD LYS A 87 85.366 13.778 -12.878 1.00 0.00 C ATOM 1370 CE LYS A 87 86.063 13.264 -14.139 1.00 0.00 C ATOM 1371 NZ LYS A 87 87.497 13.668 -14.115 1.00 0.00 N1+ ATOM 0 H LYS A 87 87.035 11.727 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 87 86.496 14.333 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 87 84.473 12.625 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 87 84.678 14.365 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.033 13.856 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 87 86.411 12.240 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 87 84.333 13.431 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 87 85.336 14.868 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 87 85.981 12.179 -14.196 1.00 0.00 H new ATOM 0 HE3 LYS A 87 85.576 13.667 -15.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 87.894 13.598 -15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 87.576 14.649 -13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 88.024 13.040 -13.475 1.00 0.00 H new ATOM 1385 N LYS A 88 84.411 13.886 -7.463 1.00 0.00 N ATOM 1386 CA LYS A 88 83.526 13.618 -6.337 1.00 0.00 C ATOM 1387 C LYS A 88 82.380 12.713 -6.770 1.00 0.00 C ATOM 1388 O LYS A 88 82.089 11.715 -6.115 1.00 0.00 O ATOM 1389 CB LYS A 88 82.961 14.929 -5.783 1.00 0.00 C ATOM 1390 CG LYS A 88 82.289 14.669 -4.428 1.00 0.00 C ATOM 1391 CD LYS A 88 81.265 15.775 -4.135 1.00 0.00 C ATOM 1392 CE LYS A 88 79.905 15.387 -4.721 1.00 0.00 C ATOM 1393 NZ LYS A 88 78.978 16.551 -4.641 1.00 0.00 N1+ ATOM 0 H LYS A 88 84.364 14.839 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 88 84.102 13.118 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.760 15.662 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 88 82.240 15.350 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 88 81.796 13.697 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 88 83.040 14.638 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 88 81.178 15.928 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 88 81.601 16.719 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 88 80.021 15.072 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.490 14.540 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 78.054 16.287 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 78.859 16.832 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 79.373 17.347 -5.181 1.00 0.00 H new ATOM 1407 N THR A 89 81.733 13.066 -7.877 1.00 0.00 N ATOM 1408 CA THR A 89 80.620 12.269 -8.377 1.00 0.00 C ATOM 1409 C THR A 89 81.042 10.818 -8.558 1.00 0.00 C ATOM 1410 O THR A 89 80.217 9.910 -8.475 1.00 0.00 O ATOM 1411 CB THR A 89 80.121 12.821 -9.711 1.00 0.00 C ATOM 1412 OG1 THR A 89 81.207 12.907 -10.623 1.00 0.00 O ATOM 1413 CG2 THR A 89 79.517 14.209 -9.498 1.00 0.00 C ATOM 0 H THR A 89 81.957 13.888 -8.438 1.00 0.00 H new ATOM 0 HA THR A 89 79.814 12.320 -7.645 1.00 0.00 H new ATOM 0 HB THR A 89 79.359 12.156 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 89 80.888 13.259 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 89 79.162 14.601 -10.451 1.00 0.00 H new ATOM 0 HG22 THR A 89 78.683 14.139 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.276 14.877 -9.091 1.00 0.00 H new ATOM 1421 N GLU A 90 82.329 10.600 -8.795 1.00 0.00 N ATOM 1422 CA GLU A 90 82.830 9.244 -8.968 1.00 0.00 C ATOM 1423 C GLU A 90 82.720 8.498 -7.645 1.00 0.00 C ATOM 1424 O GLU A 90 82.347 7.327 -7.607 1.00 0.00 O ATOM 1425 CB GLU A 90 84.289 9.267 -9.434 1.00 0.00 C ATOM 1426 CG GLU A 90 84.353 9.576 -10.931 1.00 0.00 C ATOM 1427 CD GLU A 90 85.807 9.649 -11.384 1.00 0.00 C ATOM 1428 OE1 GLU A 90 86.614 10.176 -10.636 1.00 0.00 O1- ATOM 1429 OE2 GLU A 90 86.093 9.178 -12.473 1.00 0.00 O ATOM 0 H GLU A 90 83.035 11.332 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 90 82.234 8.737 -9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.847 10.018 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.760 8.305 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.826 8.805 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.851 10.521 -11.138 1.00 0.00 H new ATOM 1436 N ARG A 91 83.033 9.198 -6.559 1.00 0.00 N ATOM 1437 CA ARG A 91 82.953 8.610 -5.229 1.00 0.00 C ATOM 1438 C ARG A 91 81.497 8.497 -4.792 1.00 0.00 C ATOM 1439 O ARG A 91 81.058 7.446 -4.334 1.00 0.00 O ATOM 1440 CB ARG A 91 83.721 9.477 -4.225 1.00 0.00 C ATOM 1441 CG ARG A 91 85.200 9.526 -4.616 1.00 0.00 C ATOM 1442 CD ARG A 91 86.045 10.044 -3.442 1.00 0.00 C ATOM 1443 NE ARG A 91 86.807 11.219 -3.853 1.00 0.00 N ATOM 1444 CZ ARG A 91 86.272 12.437 -3.824 1.00 0.00 C ATOM 1445 NH1 ARG A 91 85.039 12.606 -3.428 1.00 0.00 N ATOM 1446 NH2 ARG A 91 86.983 13.467 -4.194 1.00 0.00 N1+ ATOM 0 H ARG A 91 83.343 10.170 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 91 83.397 7.615 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 91 83.306 10.485 -4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 91 83.613 9.069 -3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.540 8.532 -4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 91 85.333 10.174 -5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.398 10.296 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.723 9.263 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 91 87.770 11.104 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.481 11.802 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 91 84.634 13.542 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 91 87.946 13.337 -4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 91 86.576 14.402 -4.173 1.00 0.00 H new ATOM 1460 N GLU A 92 80.751 9.588 -4.940 1.00 0.00 N ATOM 1461 CA GLU A 92 79.344 9.595 -4.557 1.00 0.00 C ATOM 1462 C GLU A 92 78.581 8.528 -5.335 1.00 0.00 C ATOM 1463 O GLU A 92 77.908 7.682 -4.747 1.00 0.00 O ATOM 1464 CB GLU A 92 78.730 10.968 -4.835 1.00 0.00 C ATOM 1465 CG GLU A 92 77.356 11.057 -4.167 1.00 0.00 C ATOM 1466 CD GLU A 92 76.667 12.358 -4.564 1.00 0.00 C ATOM 1467 OE1 GLU A 92 77.369 13.315 -4.846 1.00 0.00 O ATOM 1468 OE2 GLU A 92 75.448 12.379 -4.579 1.00 0.00 O1- ATOM 0 H GLU A 92 81.094 10.471 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 92 79.273 9.379 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 92 79.383 11.754 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 92 78.635 11.125 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 92 76.743 10.206 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 92 77.465 11.010 -3.084 1.00 0.00 H new ATOM 1475 N ASP A 93 78.698 8.567 -6.659 1.00 0.00 N ATOM 1476 CA ASP A 93 78.021 7.588 -7.501 1.00 0.00 C ATOM 1477 C ASP A 93 78.483 6.181 -7.139 1.00 0.00 C ATOM 1478 O ASP A 93 77.670 5.271 -6.978 1.00 0.00 O ATOM 1479 CB ASP A 93 78.320 7.863 -8.975 1.00 0.00 C ATOM 1480 CG ASP A 93 77.775 9.232 -9.371 1.00 0.00 C ATOM 1481 OD1 ASP A 93 77.864 10.140 -8.561 1.00 0.00 O1- ATOM 1482 OD2 ASP A 93 77.277 9.351 -10.478 1.00 0.00 O ATOM 0 H ASP A 93 79.249 9.258 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 93 76.947 7.668 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 93 79.395 7.826 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 93 77.869 7.089 -9.597 1.00 0.00 H new ATOM 1487 N LEU A 94 79.795 6.015 -7.005 1.00 0.00 N ATOM 1488 CA LEU A 94 80.360 4.718 -6.653 1.00 0.00 C ATOM 1489 C LEU A 94 79.834 4.267 -5.301 1.00 0.00 C ATOM 1490 O LEU A 94 79.603 3.079 -5.074 1.00 0.00 O ATOM 1491 CB LEU A 94 81.886 4.809 -6.587 1.00 0.00 C ATOM 1492 CG LEU A 94 82.468 3.478 -6.112 1.00 0.00 C ATOM 1493 CD1 LEU A 94 82.000 2.356 -7.036 1.00 0.00 C ATOM 1494 CD2 LEU A 94 83.996 3.556 -6.135 1.00 0.00 C ATOM 0 H LEU A 94 80.483 6.757 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 94 80.069 3.997 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.286 5.061 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.182 5.608 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 94 82.128 3.274 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.416 1.407 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.911 2.302 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.338 2.557 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.414 2.608 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 94 84.335 3.760 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.329 4.356 -5.474 1.00 0.00 H new ATOM 1506 N ILE A 95 79.660 5.225 -4.402 1.00 0.00 N ATOM 1507 CA ILE A 95 79.177 4.920 -3.069 1.00 0.00 C ATOM 1508 C ILE A 95 77.679 4.656 -3.097 1.00 0.00 C ATOM 1509 O ILE A 95 77.156 3.898 -2.280 1.00 0.00 O ATOM 1510 CB ILE A 95 79.515 6.072 -2.114 1.00 0.00 C ATOM 1511 CG1 ILE A 95 80.994 5.943 -1.701 1.00 0.00 C ATOM 1512 CG2 ILE A 95 78.618 6.003 -0.869 1.00 0.00 C ATOM 1513 CD1 ILE A 95 81.641 7.325 -1.545 1.00 0.00 C ATOM 0 H ILE A 95 79.846 6.213 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 95 79.671 4.018 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 95 79.346 7.028 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 95 81.067 5.395 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 95 81.536 5.366 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 95 78.865 6.825 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 95 77.573 6.081 -1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 95 78.779 5.054 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 95 82.685 7.207 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 95 81.587 7.861 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 95 81.111 7.890 -0.778 1.00 0.00 H new ATOM 1525 N ALA A 96 76.996 5.266 -4.056 1.00 0.00 N ATOM 1526 CA ALA A 96 75.564 5.063 -4.191 1.00 0.00 C ATOM 1527 C ALA A 96 75.299 3.610 -4.563 1.00 0.00 C ATOM 1528 O ALA A 96 74.313 3.011 -4.129 1.00 0.00 O ATOM 1529 CB ALA A 96 75.001 5.989 -5.268 1.00 0.00 C ATOM 0 H ALA A 96 77.406 5.898 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 96 75.074 5.293 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.927 5.828 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 96 75.190 7.026 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.484 5.774 -6.221 1.00 0.00 H new ATOM 1535 N TYR A 97 76.204 3.044 -5.358 1.00 0.00 N ATOM 1536 CA TYR A 97 76.075 1.656 -5.772 1.00 0.00 C ATOM 1537 C TYR A 97 76.492 0.733 -4.634 1.00 0.00 C ATOM 1538 O TYR A 97 75.802 -0.235 -4.328 1.00 0.00 O ATOM 1539 CB TYR A 97 76.942 1.376 -7.001 1.00 0.00 C ATOM 1540 CG TYR A 97 76.926 -0.108 -7.294 1.00 0.00 C ATOM 1541 CD1 TYR A 97 75.830 -0.679 -7.952 1.00 0.00 C ATOM 1542 CD2 TYR A 97 78.001 -0.913 -6.899 1.00 0.00 C ATOM 1543 CE1 TYR A 97 75.809 -2.054 -8.214 1.00 0.00 C ATOM 1544 CE2 TYR A 97 77.981 -2.288 -7.163 1.00 0.00 C ATOM 1545 CZ TYR A 97 76.885 -2.858 -7.820 1.00 0.00 C ATOM 1546 OH TYR A 97 76.864 -4.213 -8.080 1.00 0.00 O ATOM 0 H TYR A 97 77.027 3.523 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 97 75.032 1.470 -6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 97 76.567 1.932 -7.860 1.00 0.00 H new ATOM 0 HB3 TYR A 97 77.963 1.713 -6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 97 75.001 -0.058 -8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 97 78.846 -0.473 -6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 97 74.963 -2.494 -8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 97 78.811 -2.908 -6.860 1.00 0.00 H new ATOM 0 HH TYR A 97 77.687 -4.624 -7.742 1.00 0.00 H new ATOM 1556 N LEU A 98 77.625 1.043 -4.005 1.00 0.00 N ATOM 1557 CA LEU A 98 78.110 0.231 -2.897 1.00 0.00 C ATOM 1558 C LEU A 98 77.035 0.126 -1.819 1.00 0.00 C ATOM 1559 O LEU A 98 77.027 -0.812 -1.026 1.00 0.00 O ATOM 1560 CB LEU A 98 79.381 0.851 -2.299 1.00 0.00 C ATOM 1561 CG LEU A 98 80.590 0.541 -3.199 1.00 0.00 C ATOM 1562 CD1 LEU A 98 81.715 1.542 -2.934 1.00 0.00 C ATOM 1563 CD2 LEU A 98 81.114 -0.869 -2.903 1.00 0.00 C ATOM 0 H LEU A 98 78.215 1.840 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 98 78.344 -0.766 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.258 1.929 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.552 0.456 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 98 80.271 0.611 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 98 82.565 1.313 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 98 81.362 2.551 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 98 82.021 1.477 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.970 -1.081 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.419 -0.932 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.327 -1.598 -3.096 1.00 0.00 H new ATOM 1575 N LYS A 99 76.126 1.099 -1.800 1.00 0.00 N ATOM 1576 CA LYS A 99 75.046 1.108 -0.816 1.00 0.00 C ATOM 1577 C LYS A 99 73.936 0.144 -1.229 1.00 0.00 C ATOM 1578 O LYS A 99 73.479 -0.670 -0.427 1.00 0.00 O ATOM 1579 CB LYS A 99 74.467 2.527 -0.682 1.00 0.00 C ATOM 1580 CG LYS A 99 75.228 3.319 0.394 1.00 0.00 C ATOM 1581 CD LYS A 99 74.346 4.457 0.922 1.00 0.00 C ATOM 1582 CE LYS A 99 74.060 5.456 -0.202 1.00 0.00 C ATOM 1583 NZ LYS A 99 75.345 5.975 -0.747 1.00 0.00 N1+ ATOM 0 H LYS A 99 76.115 1.885 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 99 75.454 0.789 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.533 3.045 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.410 2.472 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.513 2.658 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.150 3.725 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.410 4.054 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.844 4.961 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 99 73.486 4.974 -0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.454 6.280 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 75.157 6.793 -1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 75.963 6.266 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.814 5.229 -1.299 1.00 0.00 H new ATOM 1597 N LYS A 100 73.502 0.248 -2.480 1.00 0.00 N ATOM 1598 CA LYS A 100 72.439 -0.615 -2.983 1.00 0.00 C ATOM 1599 C LYS A 100 72.971 -2.012 -3.286 1.00 0.00 C ATOM 1600 O LYS A 100 72.202 -2.967 -3.404 1.00 0.00 O ATOM 1601 CB LYS A 100 71.834 -0.009 -4.251 1.00 0.00 C ATOM 1602 CG LYS A 100 71.068 1.266 -3.890 1.00 0.00 C ATOM 1603 CD LYS A 100 70.598 1.960 -5.169 1.00 0.00 C ATOM 1604 CE LYS A 100 69.622 3.082 -4.811 1.00 0.00 C ATOM 1605 NZ LYS A 100 68.364 2.492 -4.272 1.00 0.00 N1+ ATOM 0 H LYS A 100 73.866 0.915 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 100 71.671 -0.696 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.621 0.218 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.165 -0.726 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 100 70.212 1.022 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 100 71.707 1.936 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.453 2.366 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.115 1.240 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 100 70.070 3.747 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 100 69.405 3.685 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 67.559 2.802 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 68.429 1.454 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.225 2.807 -3.291 1.00 0.00 H new ATOM 1619 N ALA A 101 74.289 -2.126 -3.410 1.00 0.00 N ATOM 1620 CA ALA A 101 74.915 -3.411 -3.698 1.00 0.00 C ATOM 1621 C ALA A 101 75.171 -4.180 -2.407 1.00 0.00 C ATOM 1622 O ALA A 101 75.131 -5.410 -2.386 1.00 0.00 O ATOM 1623 CB ALA A 101 76.237 -3.196 -4.437 1.00 0.00 C ATOM 0 H ALA A 101 74.942 -1.348 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 101 74.239 -3.991 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 101 76.697 -4.161 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 101 76.049 -2.671 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 101 76.908 -2.602 -3.817 1.00 0.00 H new ATOM 1629 N THR A 102 75.432 -3.444 -1.331 1.00 0.00 N ATOM 1630 CA THR A 102 75.695 -4.062 -0.036 1.00 0.00 C ATOM 1631 C THR A 102 74.397 -4.228 0.740 1.00 0.00 C ATOM 1632 O THR A 102 74.381 -4.775 1.843 1.00 0.00 O ATOM 1633 CB THR A 102 76.664 -3.193 0.764 1.00 0.00 C ATOM 1634 OG1 THR A 102 76.153 -1.872 0.847 1.00 0.00 O ATOM 1635 CG2 THR A 102 78.022 -3.180 0.065 1.00 0.00 C ATOM 0 H THR A 102 75.467 -2.425 -1.330 1.00 0.00 H new ATOM 0 HA THR A 102 76.139 -5.044 -0.198 1.00 0.00 H new ATOM 0 HB THR A 102 76.779 -3.597 1.770 1.00 0.00 H new ATOM 0 HG1 THR A 102 76.684 -1.279 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 102 78.717 -2.561 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 102 78.409 -4.197 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 102 77.910 -2.773 -0.940 1.00 0.00 H new ATOM 1643 N ASN A 103 73.311 -3.746 0.148 1.00 0.00 N ATOM 1644 CA ASN A 103 71.999 -3.834 0.772 1.00 0.00 C ATOM 1645 C ASN A 103 71.236 -5.038 0.230 1.00 0.00 C ATOM 1646 O ASN A 103 70.339 -5.566 0.886 1.00 0.00 O ATOM 1647 CB ASN A 103 71.211 -2.555 0.484 1.00 0.00 C ATOM 1648 CG ASN A 103 71.662 -1.439 1.417 1.00 0.00 C ATOM 1649 OD1 ASN A 103 70.883 -0.541 1.734 1.00 0.00 O ATOM 1650 ND2 ASN A 103 72.880 -1.443 1.878 1.00 0.00 N ATOM 0 H ASN A 103 73.314 -3.290 -0.764 1.00 0.00 H new ATOM 0 HA ASN A 103 72.125 -3.953 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 103 71.359 -2.254 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 103 70.145 -2.739 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 103 73.191 -0.700 2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 103 73.523 -2.189 1.613 1.00 0.00 H new ATOM 1657 N GLU A 104 71.603 -5.464 -0.974 1.00 0.00 N ATOM 1658 CA GLU A 104 70.950 -6.607 -1.603 1.00 0.00 C ATOM 1659 C GLU A 104 71.860 -7.231 -2.656 1.00 0.00 C ATOM 1660 O GLU A 104 73.066 -7.148 -2.493 1.00 0.00 O ATOM 1661 CB GLU A 104 69.639 -6.166 -2.257 1.00 0.00 C ATOM 1662 CG GLU A 104 69.908 -4.995 -3.204 1.00 0.00 C ATOM 1663 CD GLU A 104 68.628 -4.616 -3.941 1.00 0.00 C ATOM 1664 OE1 GLU A 104 67.715 -4.132 -3.291 1.00 0.00 O1- ATOM 1665 OE2 GLU A 104 68.578 -4.816 -5.143 1.00 0.00 O ATOM 1666 OXT GLU A 104 71.337 -7.783 -3.610 1.00 0.00 O ATOM 0 H GLU A 104 72.344 -5.039 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 104 70.740 -7.350 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 104 69.197 -6.997 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 104 68.920 -5.871 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 104 70.280 -4.139 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 104 70.683 -5.267 -3.921 1.00 0.00 H new