USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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: C 69 SER OG : rot -126:sc= 0.0952 USER MOD Set 1.2: C 71 THR OG1 : rot -170:sc= -0.468 USER MOD Single : C 1 MET CE :methyl 130:sc= -0.154 (180deg=-1.23) USER MOD Single : C 1 MET N :NH3+ -137:sc= 0.106 (180deg=-0.323) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ -110:sc= 0.536 (180deg=0.00272) USER MOD Single : C 11 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.13) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.509 USER MOD Single : C 16 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.58) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 21 LYS NZ :NH3+ 147:sc= -0.155 (180deg=-1.2) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.226 USER MOD Single : C 37 SER OG : rot 72:sc= 0.4 USER MOD Single : C 38 THR OG1 : rot -141:sc= -19.2! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00799) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -139:sc= -0.613 (180deg=-1.78!) USER MOD Single : C 50 GLN : amide:sc= -6.53! C(o=-6.5!,f=-8.5!) USER MOD Single : C 51 ASN : amide:sc= -2.9! C(o=-2.9!,f=-1.8!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.445 USER MOD Single : C 58 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl 148:sc= -0.371 (180deg=-1.58) USER MOD Single : C 84 CYS SG : rot -0:sc= 0.269 USER MOD Single : C 85 MET CE :methyl -155:sc= -0.136 (180deg=-1.3) USER MOD Single : C 86 LYS NZ :NH3+ -118:sc= -0.234! (180deg=-3!) USER MOD Single : C 89 SER OG : rot 180:sc= -0.027 USER MOD Single : I 121 MET CE :methyl 152:sc= -0.129 (180deg=-1.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.189 -13.868 22.108 1.00 0.00 N ATOM 2 CA MET C 1 56.660 -13.038 20.989 1.00 0.00 C ATOM 3 C MET C 1 56.630 -13.871 19.712 1.00 0.00 C ATOM 4 O MET C 1 56.913 -15.069 19.734 1.00 0.00 O ATOM 5 CB MET C 1 57.560 -11.815 20.795 1.00 0.00 C ATOM 6 CG MET C 1 57.497 -10.931 22.041 1.00 0.00 C ATOM 7 SD MET C 1 58.425 -9.406 21.746 1.00 0.00 S ATOM 8 CE MET C 1 57.273 -8.665 20.563 1.00 0.00 C ATOM 0 H1 MET C 1 56.617 -13.706 22.961 1.00 0.00 H new ATOM 0 H2 MET C 1 57.143 -14.873 21.846 1.00 0.00 H new ATOM 0 H3 MET C 1 58.177 -13.604 22.299 1.00 0.00 H new ATOM 0 HA MET C 1 55.649 -12.705 21.223 1.00 0.00 H new ATOM 0 HB2 MET C 1 58.587 -12.132 20.613 1.00 0.00 H new ATOM 0 HB3 MET C 1 57.240 -11.250 19.919 1.00 0.00 H new ATOM 0 HG2 MET C 1 56.460 -10.697 22.282 1.00 0.00 H new ATOM 0 HG3 MET C 1 57.912 -11.462 22.898 1.00 0.00 H new ATOM 0 HE1 MET C 1 57.052 -7.641 20.863 1.00 0.00 H new ATOM 0 HE2 MET C 1 57.722 -8.663 19.570 1.00 0.00 H new ATOM 0 HE3 MET C 1 56.350 -9.244 20.542 1.00 0.00 H new ATOM 20 N ASP C 2 56.285 -13.228 18.601 1.00 0.00 N ATOM 21 CA ASP C 2 56.221 -13.921 17.319 1.00 0.00 C ATOM 22 C ASP C 2 56.632 -12.987 16.185 1.00 0.00 C ATOM 23 O ASP C 2 57.240 -11.942 16.418 1.00 0.00 O ATOM 24 CB ASP C 2 54.801 -14.432 17.072 1.00 0.00 C ATOM 25 CG ASP C 2 53.831 -13.259 16.989 1.00 0.00 C ATOM 26 OD1 ASP C 2 54.298 -12.133 16.930 1.00 0.00 O ATOM 27 OD2 ASP C 2 52.636 -13.503 16.985 1.00 0.00 O ATOM 0 H ASP C 2 56.047 -12.237 18.562 1.00 0.00 H new ATOM 0 HA ASP C 2 56.910 -14.765 17.348 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.769 -15.007 16.147 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.503 -15.105 17.876 1.00 0.00 H new ATOM 32 N ASP C 3 56.297 -13.371 14.958 1.00 0.00 N ATOM 33 CA ASP C 3 56.637 -12.560 13.794 1.00 0.00 C ATOM 34 C ASP C 3 55.380 -12.190 13.014 1.00 0.00 C ATOM 35 O ASP C 3 54.968 -12.909 12.104 1.00 0.00 O ATOM 36 CB ASP C 3 57.597 -13.328 12.885 1.00 0.00 C ATOM 37 CG ASP C 3 58.830 -13.757 13.672 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.100 -13.145 14.692 1.00 0.00 O ATOM 39 OD2 ASP C 3 59.488 -14.691 13.243 1.00 0.00 O ATOM 0 H ASP C 3 55.794 -14.232 14.744 1.00 0.00 H new ATOM 0 HA ASP C 3 57.119 -11.645 14.140 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.097 -14.204 12.471 1.00 0.00 H new ATOM 0 HB3 ASP C 3 57.893 -12.702 12.043 1.00 0.00 H new ATOM 44 N ILE C 4 54.775 -11.063 13.376 1.00 0.00 N ATOM 45 CA ILE C 4 53.565 -10.607 12.702 1.00 0.00 C ATOM 46 C ILE C 4 53.907 -9.967 11.361 1.00 0.00 C ATOM 47 O ILE C 4 53.031 -9.746 10.525 1.00 0.00 O ATOM 48 CB ILE C 4 52.829 -9.594 13.580 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.442 -10.255 14.905 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.565 -9.118 12.861 1.00 0.00 C ATOM 51 CD1 ILE C 4 51.916 -9.192 15.871 1.00 0.00 C ATOM 0 H ILE C 4 55.100 -10.453 14.126 1.00 0.00 H new ATOM 0 HA ILE C 4 52.923 -11.470 12.526 1.00 0.00 H new ATOM 0 HB ILE C 4 53.480 -8.741 13.774 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.680 -11.016 14.735 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.306 -10.760 15.338 1.00 0.00 H new ATOM 0 HG21 ILE C 4 51.040 -8.396 13.487 1.00 0.00 H new ATOM 0 HG22 ILE C 4 51.839 -8.648 11.916 1.00 0.00 H new ATOM 0 HG23 ILE C 4 50.914 -9.970 12.667 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.640 -9.663 16.815 1.00 0.00 H new ATOM 0 HD12 ILE C 4 52.691 -8.447 16.050 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.041 -8.708 15.438 1.00 0.00 H new ATOM 63 N TYR C 5 55.188 -9.671 11.162 1.00 0.00 N ATOM 64 CA TYR C 5 55.635 -9.056 9.917 1.00 0.00 C ATOM 65 C TYR C 5 56.204 -10.110 8.973 1.00 0.00 C ATOM 66 O TYR C 5 55.813 -10.191 7.809 1.00 0.00 O ATOM 67 CB TYR C 5 56.703 -8.001 10.211 1.00 0.00 C ATOM 68 CG TYR C 5 57.582 -8.475 11.343 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.157 -8.328 12.668 1.00 0.00 C ATOM 70 CD2 TYR C 5 58.823 -9.062 11.067 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.972 -8.768 13.718 1.00 0.00 C ATOM 72 CE2 TYR C 5 59.638 -9.502 12.116 1.00 0.00 C ATOM 73 CZ TYR C 5 59.213 -9.355 13.442 1.00 0.00 C ATOM 74 OH TYR C 5 60.016 -9.788 14.477 1.00 0.00 O ATOM 0 H TYR C 5 55.929 -9.845 11.841 1.00 0.00 H new ATOM 0 HA TYR C 5 54.778 -8.582 9.439 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.305 -7.820 9.321 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.231 -7.054 10.475 1.00 0.00 H new ATOM 0 HD1 TYR C 5 56.200 -7.875 12.881 1.00 0.00 H new ATOM 0 HD2 TYR C 5 59.151 -9.175 10.044 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.644 -8.655 14.741 1.00 0.00 H new ATOM 0 HE2 TYR C 5 60.595 -9.955 11.903 1.00 0.00 H new ATOM 0 HH TYR C 5 60.841 -10.171 14.113 1.00 0.00 H new ATOM 84 N LYS C 6 57.129 -10.917 9.483 1.00 0.00 N ATOM 85 CA LYS C 6 57.746 -11.963 8.676 1.00 0.00 C ATOM 86 C LYS C 6 56.696 -12.965 8.205 1.00 0.00 C ATOM 87 O LYS C 6 56.853 -13.599 7.162 1.00 0.00 O ATOM 88 CB LYS C 6 58.818 -12.689 9.491 1.00 0.00 C ATOM 89 CG LYS C 6 59.896 -13.230 8.551 1.00 0.00 C ATOM 90 CD LYS C 6 60.968 -12.161 8.334 1.00 0.00 C ATOM 91 CE LYS C 6 62.082 -12.726 7.450 1.00 0.00 C ATOM 92 NZ LYS C 6 63.003 -11.625 7.047 1.00 0.00 N ATOM 0 H LYS C 6 57.466 -10.867 10.445 1.00 0.00 H new ATOM 0 HA LYS C 6 58.207 -11.499 7.804 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.262 -12.007 10.216 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.369 -13.506 10.055 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.344 -14.129 8.974 1.00 0.00 H new ATOM 0 HG3 LYS C 6 59.452 -13.514 7.597 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.529 -11.280 7.865 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.377 -11.841 9.292 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.633 -13.497 7.989 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.655 -13.199 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 62.889 -11.431 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.778 -10.768 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 63.986 -11.907 7.237 1.00 0.00 H new ATOM 106 N ALA C 7 55.627 -13.103 8.982 1.00 0.00 N ATOM 107 CA ALA C 7 54.557 -14.031 8.634 1.00 0.00 C ATOM 108 C ALA C 7 53.715 -13.475 7.491 1.00 0.00 C ATOM 109 O ALA C 7 53.429 -14.176 6.520 1.00 0.00 O ATOM 110 CB ALA C 7 53.666 -14.281 9.852 1.00 0.00 C ATOM 0 H ALA C 7 55.479 -12.589 9.850 1.00 0.00 H new ATOM 0 HA ALA C 7 55.007 -14.971 8.314 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.869 -14.975 9.584 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.263 -14.708 10.658 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.230 -13.339 10.183 1.00 0.00 H new ATOM 116 N ALA C 8 53.322 -12.211 7.612 1.00 0.00 N ATOM 117 CA ALA C 8 52.513 -11.571 6.582 1.00 0.00 C ATOM 118 C ALA C 8 53.225 -11.621 5.233 1.00 0.00 C ATOM 119 O ALA C 8 52.629 -11.987 4.220 1.00 0.00 O ATOM 120 CB ALA C 8 52.239 -10.115 6.962 1.00 0.00 C ATOM 0 H ALA C 8 53.549 -11.614 8.407 1.00 0.00 H new ATOM 0 HA ALA C 8 51.569 -12.109 6.502 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.634 -9.644 6.187 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.704 -10.081 7.911 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.184 -9.580 7.059 1.00 0.00 H new ATOM 126 N VAL C 9 54.501 -11.252 5.230 1.00 0.00 N ATOM 127 CA VAL C 9 55.285 -11.259 4.000 1.00 0.00 C ATOM 128 C VAL C 9 55.077 -12.565 3.240 1.00 0.00 C ATOM 129 O VAL C 9 54.686 -12.560 2.072 1.00 0.00 O ATOM 130 CB VAL C 9 56.769 -11.086 4.325 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.610 -11.807 3.271 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.120 -9.596 4.324 1.00 0.00 C ATOM 0 H VAL C 9 55.012 -10.946 6.058 1.00 0.00 H new ATOM 0 HA VAL C 9 54.952 -10.431 3.374 1.00 0.00 H new ATOM 0 HB VAL C 9 56.977 -11.509 5.308 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.668 -11.684 3.503 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.360 -12.868 3.270 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.402 -11.384 2.288 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.178 -9.471 4.556 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.911 -9.174 3.341 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.521 -9.081 5.075 1.00 0.00 H new ATOM 142 N GLU C 10 55.341 -13.682 3.909 1.00 0.00 N ATOM 143 CA GLU C 10 55.179 -14.991 3.287 1.00 0.00 C ATOM 144 C GLU C 10 53.723 -15.222 2.896 1.00 0.00 C ATOM 145 O GLU C 10 53.433 -15.954 1.949 1.00 0.00 O ATOM 146 CB GLU C 10 55.631 -16.088 4.252 1.00 0.00 C ATOM 147 CG GLU C 10 57.120 -15.919 4.557 1.00 0.00 C ATOM 148 CD GLU C 10 57.587 -17.018 5.505 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.740 -17.737 6.010 1.00 0.00 O ATOM 150 OE2 GLU C 10 58.784 -17.127 5.712 1.00 0.00 O ATOM 0 H GLU C 10 55.666 -13.708 4.876 1.00 0.00 H new ATOM 0 HA GLU C 10 55.794 -15.023 2.388 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.052 -16.037 5.174 1.00 0.00 H new ATOM 0 HB3 GLU C 10 55.448 -17.070 3.815 1.00 0.00 H new ATOM 0 HG2 GLU C 10 57.695 -15.957 3.632 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.299 -14.941 5.004 1.00 0.00 H new ATOM 157 N GLN C 11 52.812 -14.593 3.630 1.00 0.00 N ATOM 158 CA GLN C 11 51.388 -14.738 3.351 1.00 0.00 C ATOM 159 C GLN C 11 50.904 -13.615 2.439 1.00 0.00 C ATOM 160 O GLN C 11 49.857 -13.015 2.679 1.00 0.00 O ATOM 161 CB GLN C 11 50.594 -14.713 4.659 1.00 0.00 C ATOM 162 CG GLN C 11 49.242 -15.397 4.449 1.00 0.00 C ATOM 163 CD GLN C 11 49.419 -16.912 4.449 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.804 -17.493 5.464 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.159 -17.590 3.365 1.00 0.00 N ATOM 0 H GLN C 11 53.031 -13.982 4.417 1.00 0.00 H new ATOM 0 HA GLN C 11 51.231 -15.693 2.849 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.152 -15.221 5.445 1.00 0.00 H new ATOM 0 HB3 GLN C 11 50.446 -13.684 4.987 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.550 -15.103 5.238 1.00 0.00 H new ATOM 0 HG3 GLN C 11 48.804 -15.074 3.505 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.840 -17.107 2.525 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.275 -18.603 3.357 1.00 0.00 H new ATOM 174 N LEU C 12 51.673 -13.338 1.391 1.00 0.00 N ATOM 175 CA LEU C 12 51.313 -12.285 0.449 1.00 0.00 C ATOM 176 C LEU C 12 50.929 -12.883 -0.901 1.00 0.00 C ATOM 177 O LEU C 12 51.559 -13.828 -1.374 1.00 0.00 O ATOM 178 CB LEU C 12 52.488 -11.322 0.267 1.00 0.00 C ATOM 179 CG LEU C 12 52.064 -9.914 0.687 1.00 0.00 C ATOM 180 CD1 LEU C 12 51.973 -9.842 2.213 1.00 0.00 C ATOM 181 CD2 LEU C 12 53.100 -8.902 0.192 1.00 0.00 C ATOM 0 H LEU C 12 52.543 -13.824 1.174 1.00 0.00 H new ATOM 0 HA LEU C 12 50.457 -11.742 0.850 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.338 -11.651 0.865 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.813 -11.320 -0.774 1.00 0.00 H new ATOM 0 HG LEU C 12 51.091 -9.683 0.253 1.00 0.00 H new ATOM 0 HD11 LEU C 12 51.671 -8.838 2.513 1.00 0.00 H new ATOM 0 HD12 LEU C 12 51.237 -10.564 2.568 1.00 0.00 H new ATOM 0 HD13 LEU C 12 52.946 -10.073 2.647 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.799 -7.898 0.491 1.00 0.00 H new ATOM 0 HD22 LEU C 12 54.072 -9.134 0.627 1.00 0.00 H new ATOM 0 HD23 LEU C 12 53.168 -8.952 -0.895 1.00 0.00 H new ATOM 193 N THR C 13 49.891 -12.325 -1.516 1.00 0.00 N ATOM 194 CA THR C 13 49.431 -12.811 -2.812 1.00 0.00 C ATOM 195 C THR C 13 49.970 -11.932 -3.936 1.00 0.00 C ATOM 196 O THR C 13 50.373 -10.792 -3.706 1.00 0.00 O ATOM 197 CB THR C 13 47.902 -12.818 -2.854 1.00 0.00 C ATOM 198 OG1 THR C 13 47.428 -11.485 -2.989 1.00 0.00 O ATOM 199 CG2 THR C 13 47.355 -13.428 -1.562 1.00 0.00 C ATOM 0 H THR C 13 49.356 -11.542 -1.141 1.00 0.00 H new ATOM 0 HA THR C 13 49.802 -13.826 -2.951 1.00 0.00 H new ATOM 0 HB THR C 13 47.565 -13.412 -3.703 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.448 -11.487 -3.018 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.265 -13.432 -1.594 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.719 -14.450 -1.460 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.691 -12.837 -0.710 1.00 0.00 H new ATOM 207 N GLU C 14 49.974 -12.470 -5.151 1.00 0.00 N ATOM 208 CA GLU C 14 50.465 -11.725 -6.304 1.00 0.00 C ATOM 209 C GLU C 14 49.790 -10.360 -6.388 1.00 0.00 C ATOM 210 O GLU C 14 50.305 -9.440 -7.022 1.00 0.00 O ATOM 211 CB GLU C 14 50.194 -12.511 -7.588 1.00 0.00 C ATOM 212 CG GLU C 14 50.890 -13.871 -7.512 1.00 0.00 C ATOM 213 CD GLU C 14 50.033 -14.853 -6.721 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.995 -14.440 -6.230 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.425 -16.003 -6.619 1.00 0.00 O ATOM 0 H GLU C 14 49.645 -13.412 -5.362 1.00 0.00 H new ATOM 0 HA GLU C 14 51.539 -11.579 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.121 -12.647 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.556 -11.953 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.065 -14.256 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.866 -13.763 -7.038 1.00 0.00 H new ATOM 222 N GLU C 15 48.633 -10.238 -5.745 1.00 0.00 N ATOM 223 CA GLU C 15 47.895 -8.980 -5.754 1.00 0.00 C ATOM 224 C GLU C 15 48.672 -7.897 -5.012 1.00 0.00 C ATOM 225 O GLU C 15 48.711 -6.743 -5.439 1.00 0.00 O ATOM 226 CB GLU C 15 46.528 -9.172 -5.095 1.00 0.00 C ATOM 227 CG GLU C 15 45.678 -10.116 -5.947 1.00 0.00 C ATOM 228 CD GLU C 15 44.281 -10.243 -5.349 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.081 -9.749 -4.252 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.432 -10.833 -5.998 1.00 0.00 O ATOM 0 H GLU C 15 48.189 -10.988 -5.215 1.00 0.00 H new ATOM 0 HA GLU C 15 47.759 -8.668 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.650 -9.581 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.026 -8.210 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.613 -9.739 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.151 -11.097 -5.999 1.00 0.00 H new ATOM 237 N GLN C 16 49.290 -8.277 -3.898 1.00 0.00 N ATOM 238 CA GLN C 16 50.064 -7.330 -3.104 1.00 0.00 C ATOM 239 C GLN C 16 51.479 -7.197 -3.657 1.00 0.00 C ATOM 240 O GLN C 16 51.912 -6.106 -4.026 1.00 0.00 O ATOM 241 CB GLN C 16 50.124 -7.795 -1.648 1.00 0.00 C ATOM 242 CG GLN C 16 48.716 -7.788 -1.050 1.00 0.00 C ATOM 243 CD GLN C 16 48.268 -6.354 -0.789 1.00 0.00 C ATOM 244 OE1 GLN C 16 49.024 -5.558 -0.233 1.00 0.00 O ATOM 245 NE2 GLN C 16 47.075 -5.976 -1.158 1.00 0.00 N ATOM 0 H GLN C 16 49.270 -9.227 -3.527 1.00 0.00 H new ATOM 0 HA GLN C 16 49.574 -6.358 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.549 -8.797 -1.593 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.778 -7.140 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.020 -8.277 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.704 -8.357 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN C 16 46.450 -6.638 -1.619 1.00 0.00 H new ATOM 0 HE22 GLN C 16 46.767 -5.019 -0.986 1.00 0.00 H new ATOM 254 N LYS C 17 52.195 -8.316 -3.711 1.00 0.00 N ATOM 255 CA LYS C 17 53.561 -8.313 -4.221 1.00 0.00 C ATOM 256 C LYS C 17 53.664 -7.448 -5.473 1.00 0.00 C ATOM 257 O LYS C 17 54.568 -6.621 -5.595 1.00 0.00 O ATOM 258 CB LYS C 17 54.000 -9.742 -4.547 1.00 0.00 C ATOM 259 CG LYS C 17 55.526 -9.833 -4.490 1.00 0.00 C ATOM 260 CD LYS C 17 55.970 -11.238 -4.902 1.00 0.00 C ATOM 261 CE LYS C 17 57.087 -11.714 -3.973 1.00 0.00 C ATOM 262 NZ LYS C 17 57.531 -13.076 -4.386 1.00 0.00 N ATOM 0 H LYS C 17 51.855 -9.229 -3.410 1.00 0.00 H new ATOM 0 HA LYS C 17 54.215 -7.899 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.557 -10.441 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.645 -10.026 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.970 -9.091 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.877 -9.610 -3.482 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.126 -11.926 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS C 17 56.319 -11.232 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.926 -11.019 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS C 17 56.734 -11.732 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 58.291 -13.400 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 56.728 -13.735 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.884 -13.044 -5.364 1.00 0.00 H new ATOM 276 N ASN C 18 52.733 -7.645 -6.400 1.00 0.00 N ATOM 277 CA ASN C 18 52.729 -6.877 -7.640 1.00 0.00 C ATOM 278 C ASN C 18 52.826 -5.383 -7.346 1.00 0.00 C ATOM 279 O ASN C 18 53.367 -4.618 -8.143 1.00 0.00 O ATOM 280 CB ASN C 18 51.448 -7.162 -8.427 1.00 0.00 C ATOM 281 CG ASN C 18 51.480 -6.422 -9.760 1.00 0.00 C ATOM 282 OD1 ASN C 18 50.809 -5.403 -9.921 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.223 -6.878 -10.730 1.00 0.00 N ATOM 0 H ASN C 18 51.977 -8.324 -6.318 1.00 0.00 H new ATOM 0 HA ASN C 18 53.594 -7.176 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.348 -8.234 -8.599 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.579 -6.849 -7.849 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.249 -6.390 -11.625 1.00 0.00 H new ATOM 0 HD22 ASN C 18 52.778 -7.723 -10.593 1.00 0.00 H new ATOM 290 N GLU C 19 52.298 -4.976 -6.196 1.00 0.00 N ATOM 291 CA GLU C 19 52.330 -3.571 -5.807 1.00 0.00 C ATOM 292 C GLU C 19 53.684 -3.214 -5.201 1.00 0.00 C ATOM 293 O GLU C 19 54.304 -2.222 -5.585 1.00 0.00 O ATOM 294 CB GLU C 19 51.223 -3.284 -4.792 1.00 0.00 C ATOM 295 CG GLU C 19 49.868 -3.660 -5.393 1.00 0.00 C ATOM 296 CD GLU C 19 48.746 -3.272 -4.436 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.053 -2.896 -3.317 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.597 -3.357 -4.835 1.00 0.00 O ATOM 0 H GLU C 19 51.846 -5.594 -5.522 1.00 0.00 H new ATOM 0 HA GLU C 19 52.171 -2.963 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.397 -3.852 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.231 -2.229 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.732 -3.155 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.834 -4.731 -5.591 1.00 0.00 H new ATOM 305 N PHE C 20 54.135 -4.028 -4.253 1.00 0.00 N ATOM 306 CA PHE C 20 55.417 -3.788 -3.600 1.00 0.00 C ATOM 307 C PHE C 20 56.550 -3.798 -4.622 1.00 0.00 C ATOM 308 O PHE C 20 57.478 -2.994 -4.542 1.00 0.00 O ATOM 309 CB PHE C 20 55.673 -4.862 -2.541 1.00 0.00 C ATOM 310 CG PHE C 20 57.077 -5.396 -2.694 1.00 0.00 C ATOM 311 CD1 PHE C 20 58.171 -4.603 -2.326 1.00 0.00 C ATOM 312 CD2 PHE C 20 57.285 -6.683 -3.203 1.00 0.00 C ATOM 313 CE1 PHE C 20 59.473 -5.098 -2.468 1.00 0.00 C ATOM 314 CE2 PHE C 20 58.587 -7.178 -3.345 1.00 0.00 C ATOM 315 CZ PHE C 20 59.681 -6.385 -2.977 1.00 0.00 C ATOM 0 H PHE C 20 53.637 -4.854 -3.921 1.00 0.00 H new ATOM 0 HA PHE C 20 55.382 -2.809 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.538 -4.444 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE C 20 54.951 -5.672 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE C 20 58.010 -3.610 -1.933 1.00 0.00 H new ATOM 0 HD2 PHE C 20 56.441 -7.294 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE C 20 60.317 -4.487 -2.185 1.00 0.00 H new ATOM 0 HE2 PHE C 20 58.748 -8.171 -3.738 1.00 0.00 H new ATOM 0 HZ PHE C 20 60.685 -6.767 -3.086 1.00 0.00 H new ATOM 325 N LYS C 21 56.466 -4.714 -5.582 1.00 0.00 N ATOM 326 CA LYS C 21 57.490 -4.820 -6.614 1.00 0.00 C ATOM 327 C LYS C 21 57.637 -3.498 -7.361 1.00 0.00 C ATOM 328 O LYS C 21 58.693 -3.206 -7.923 1.00 0.00 O ATOM 329 CB LYS C 21 57.124 -5.929 -7.602 1.00 0.00 C ATOM 330 CG LYS C 21 57.212 -7.287 -6.902 1.00 0.00 C ATOM 331 CD LYS C 21 58.681 -7.665 -6.705 1.00 0.00 C ATOM 332 CE LYS C 21 58.800 -9.182 -6.545 1.00 0.00 C ATOM 333 NZ LYS C 21 58.361 -9.850 -7.803 1.00 0.00 N ATOM 0 H LYS C 21 55.705 -5.388 -5.666 1.00 0.00 H new ATOM 0 HA LYS C 21 58.439 -5.061 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.116 -5.771 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.798 -5.905 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS C 21 56.704 -7.245 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS C 21 56.706 -8.048 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.271 -7.331 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.082 -7.163 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.830 -9.455 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.188 -9.519 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 58.913 -10.720 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 57.351 -10.088 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.513 -9.209 -8.608 1.00 0.00 H new ATOM 347 N ALA C 22 56.571 -2.704 -7.364 1.00 0.00 N ATOM 348 CA ALA C 22 56.593 -1.415 -8.046 1.00 0.00 C ATOM 349 C ALA C 22 57.619 -0.487 -7.404 1.00 0.00 C ATOM 350 O ALA C 22 58.632 -0.147 -8.017 1.00 0.00 O ATOM 351 CB ALA C 22 55.208 -0.769 -7.984 1.00 0.00 C ATOM 0 H ALA C 22 55.688 -2.928 -6.906 1.00 0.00 H new ATOM 0 HA ALA C 22 56.871 -1.580 -9.087 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.232 0.193 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.481 -1.420 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.923 -0.619 -6.943 1.00 0.00 H new ATOM 357 N ALA C 23 57.351 -0.080 -6.168 1.00 0.00 N ATOM 358 CA ALA C 23 58.258 0.810 -5.453 1.00 0.00 C ATOM 359 C ALA C 23 59.676 0.247 -5.458 1.00 0.00 C ATOM 360 O ALA C 23 60.615 0.909 -5.899 1.00 0.00 O ATOM 361 CB ALA C 23 57.784 0.990 -4.010 1.00 0.00 C ATOM 0 H ALA C 23 56.519 -0.350 -5.643 1.00 0.00 H new ATOM 0 HA ALA C 23 58.261 1.776 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.467 1.656 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.783 1.421 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.764 0.022 -3.510 1.00 0.00 H new ATOM 367 N PHE C 24 59.822 -0.978 -4.964 1.00 0.00 N ATOM 368 CA PHE C 24 61.131 -1.620 -4.917 1.00 0.00 C ATOM 369 C PHE C 24 61.954 -1.252 -6.146 1.00 0.00 C ATOM 370 O PHE C 24 63.156 -1.004 -6.049 1.00 0.00 O ATOM 371 CB PHE C 24 60.965 -3.139 -4.848 1.00 0.00 C ATOM 372 CG PHE C 24 61.978 -3.798 -5.753 1.00 0.00 C ATOM 373 CD1 PHE C 24 63.335 -3.790 -5.408 1.00 0.00 C ATOM 374 CD2 PHE C 24 61.560 -4.418 -6.937 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.274 -4.401 -6.247 1.00 0.00 C ATOM 376 CE2 PHE C 24 62.500 -5.029 -7.776 1.00 0.00 C ATOM 377 CZ PHE C 24 63.857 -5.020 -7.431 1.00 0.00 C ATOM 0 H PHE C 24 59.057 -1.542 -4.593 1.00 0.00 H new ATOM 0 HA PHE C 24 61.654 -1.270 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE C 24 61.099 -3.484 -3.823 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.956 -3.419 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE C 24 63.657 -3.312 -4.494 1.00 0.00 H new ATOM 0 HD2 PHE C 24 60.513 -4.425 -7.203 1.00 0.00 H new ATOM 0 HE1 PHE C 24 65.321 -4.395 -5.981 1.00 0.00 H new ATOM 0 HE2 PHE C 24 62.178 -5.507 -8.689 1.00 0.00 H new ATOM 0 HZ PHE C 24 64.582 -5.491 -8.079 1.00 0.00 H new ATOM 387 N ASP C 25 61.299 -1.218 -7.302 1.00 0.00 N ATOM 388 CA ASP C 25 61.982 -0.878 -8.546 1.00 0.00 C ATOM 389 C ASP C 25 62.365 0.599 -8.561 1.00 0.00 C ATOM 390 O ASP C 25 63.499 0.952 -8.884 1.00 0.00 O ATOM 391 CB ASP C 25 61.076 -1.185 -9.739 1.00 0.00 C ATOM 392 CG ASP C 25 61.842 -0.981 -11.042 1.00 0.00 C ATOM 393 OD1 ASP C 25 63.042 -0.770 -10.973 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.218 -1.040 -12.089 1.00 0.00 O ATOM 0 H ASP C 25 60.304 -1.420 -7.404 1.00 0.00 H new ATOM 0 HA ASP C 25 62.890 -1.477 -8.616 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.715 -2.211 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.200 -0.537 -9.717 1.00 0.00 H new ATOM 399 N ILE C 26 61.411 1.456 -8.210 1.00 0.00 N ATOM 400 CA ILE C 26 61.660 2.892 -8.188 1.00 0.00 C ATOM 401 C ILE C 26 62.535 3.267 -6.995 1.00 0.00 C ATOM 402 O ILE C 26 63.159 4.327 -6.980 1.00 0.00 O ATOM 403 CB ILE C 26 60.335 3.651 -8.109 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.488 3.326 -9.341 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.608 5.155 -8.062 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.091 3.926 -9.174 1.00 0.00 C ATOM 0 H ILE C 26 60.466 1.183 -7.939 1.00 0.00 H new ATOM 0 HA ILE C 26 62.181 3.165 -9.106 1.00 0.00 H new ATOM 0 HB ILE C 26 59.799 3.352 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.962 3.726 -10.237 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.418 2.246 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.663 5.695 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.212 5.388 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.144 5.456 -8.962 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.488 3.694 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.618 3.505 -8.287 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.170 5.007 -9.064 1.00 0.00 H new ATOM 418 N PHE C 27 62.574 2.389 -5.998 1.00 0.00 N ATOM 419 CA PHE C 27 63.376 2.639 -4.806 1.00 0.00 C ATOM 420 C PHE C 27 64.826 2.228 -5.039 1.00 0.00 C ATOM 421 O PHE C 27 65.675 2.389 -4.162 1.00 0.00 O ATOM 422 CB PHE C 27 62.806 1.857 -3.620 1.00 0.00 C ATOM 423 CG PHE C 27 63.611 0.597 -3.414 1.00 0.00 C ATOM 424 CD1 PHE C 27 64.939 0.534 -3.854 1.00 0.00 C ATOM 425 CD2 PHE C 27 63.030 -0.510 -2.783 1.00 0.00 C ATOM 426 CE1 PHE C 27 65.686 -0.635 -3.662 1.00 0.00 C ATOM 427 CE2 PHE C 27 63.777 -1.679 -2.592 1.00 0.00 C ATOM 428 CZ PHE C 27 65.104 -1.741 -3.031 1.00 0.00 C ATOM 0 H PHE C 27 62.064 1.505 -5.991 1.00 0.00 H new ATOM 0 HA PHE C 27 63.344 3.706 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.834 2.470 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE C 27 61.761 1.608 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE C 27 65.387 1.387 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.006 -0.462 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE C 27 66.710 -0.683 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE C 27 63.329 -2.533 -2.106 1.00 0.00 H new ATOM 0 HZ PHE C 27 65.680 -2.643 -2.883 1.00 0.00 H new ATOM 438 N VAL C 28 65.102 1.698 -6.226 1.00 0.00 N ATOM 439 CA VAL C 28 66.454 1.268 -6.563 1.00 0.00 C ATOM 440 C VAL C 28 66.818 1.705 -7.979 1.00 0.00 C ATOM 441 O VAL C 28 67.711 1.134 -8.605 1.00 0.00 O ATOM 442 CB VAL C 28 66.561 -0.254 -6.454 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.193 -0.838 -6.100 1.00 0.00 C ATOM 444 CG2 VAL C 28 67.029 -0.829 -7.793 1.00 0.00 C ATOM 0 H VAL C 28 64.414 1.557 -6.965 1.00 0.00 H new ATOM 0 HA VAL C 28 67.148 1.732 -5.862 1.00 0.00 H new ATOM 0 HB VAL C 28 67.279 -0.513 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.269 -1.923 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL C 28 64.858 -0.429 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.475 -0.580 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL C 28 67.106 -1.914 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL C 28 66.311 -0.570 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL C 28 68.004 -0.413 -8.046 1.00 0.00 H new ATOM 454 N LEU C 29 66.120 2.720 -8.477 1.00 0.00 N ATOM 455 CA LEU C 29 66.378 3.226 -9.820 1.00 0.00 C ATOM 456 C LEU C 29 67.767 3.850 -9.900 1.00 0.00 C ATOM 457 O LEU C 29 67.953 5.021 -9.566 1.00 0.00 O ATOM 458 CB LEU C 29 65.325 4.270 -10.196 1.00 0.00 C ATOM 459 CG LEU C 29 65.474 4.637 -11.673 1.00 0.00 C ATOM 460 CD1 LEU C 29 65.003 3.468 -12.540 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.624 5.872 -11.979 1.00 0.00 C ATOM 0 H LEU C 29 65.376 3.205 -7.975 1.00 0.00 H new ATOM 0 HA LEU C 29 66.327 2.391 -10.518 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.326 3.878 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.441 5.159 -9.576 1.00 0.00 H new ATOM 0 HG LEU C 29 66.520 4.852 -11.890 1.00 0.00 H new ATOM 0 HD11 LEU C 29 65.109 3.730 -13.593 1.00 0.00 H new ATOM 0 HD12 LEU C 29 65.607 2.587 -12.322 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.957 3.253 -12.323 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.729 6.135 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU C 29 63.578 5.657 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU C 29 64.958 6.706 -11.362 1.00 0.00 H new ATOM 473 N GLY C 30 68.741 3.061 -10.344 1.00 0.00 N ATOM 474 CA GLY C 30 70.110 3.548 -10.463 1.00 0.00 C ATOM 475 C GLY C 30 71.045 2.776 -9.538 1.00 0.00 C ATOM 476 O GLY C 30 72.239 3.065 -9.465 1.00 0.00 O ATOM 0 H GLY C 30 68.609 2.089 -10.625 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.448 3.447 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.145 4.610 -10.218 1.00 0.00 H new ATOM 480 N ALA C 31 70.493 1.794 -8.833 1.00 0.00 N ATOM 481 CA ALA C 31 71.288 0.987 -7.915 1.00 0.00 C ATOM 482 C ALA C 31 72.334 0.181 -8.678 1.00 0.00 C ATOM 483 O ALA C 31 72.303 0.111 -9.906 1.00 0.00 O ATOM 484 CB ALA C 31 70.379 0.036 -7.134 1.00 0.00 C ATOM 0 H ALA C 31 69.506 1.539 -8.879 1.00 0.00 H new ATOM 0 HA ALA C 31 71.796 1.656 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.981 -0.563 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.651 0.614 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.857 -0.621 -7.829 1.00 0.00 H new ATOM 490 N GLU C 32 73.259 -0.426 -7.941 1.00 0.00 N ATOM 491 CA GLU C 32 74.311 -1.225 -8.560 1.00 0.00 C ATOM 492 C GLU C 32 73.933 -2.702 -8.558 1.00 0.00 C ATOM 493 O GLU C 32 74.066 -3.389 -9.571 1.00 0.00 O ATOM 494 CB GLU C 32 75.627 -1.032 -7.803 1.00 0.00 C ATOM 495 CG GLU C 32 76.075 0.426 -7.922 1.00 0.00 C ATOM 496 CD GLU C 32 77.454 0.600 -7.293 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.927 -0.343 -6.680 1.00 0.00 O ATOM 498 OE2 GLU C 32 78.016 1.674 -7.433 1.00 0.00 O ATOM 0 H GLU C 32 73.302 -0.381 -6.923 1.00 0.00 H new ATOM 0 HA GLU C 32 74.433 -0.894 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.498 -1.300 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.393 -1.693 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.104 0.722 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.355 1.078 -7.427 1.00 0.00 H new ATOM 505 N ASP C 33 73.460 -3.186 -7.413 1.00 0.00 N ATOM 506 CA ASP C 33 73.066 -4.585 -7.291 1.00 0.00 C ATOM 507 C ASP C 33 71.546 -4.711 -7.255 1.00 0.00 C ATOM 508 O ASP C 33 70.969 -5.572 -7.920 1.00 0.00 O ATOM 509 CB ASP C 33 73.661 -5.186 -6.017 1.00 0.00 C ATOM 510 CG ASP C 33 73.375 -6.683 -5.964 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.131 -7.432 -6.560 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.404 -7.058 -5.328 1.00 0.00 O ATOM 0 H ASP C 33 73.341 -2.635 -6.563 1.00 0.00 H new ATOM 0 HA ASP C 33 73.444 -5.127 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.737 -5.012 -5.991 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.237 -4.695 -5.141 1.00 0.00 H new ATOM 517 N GLY C 34 70.904 -3.849 -6.474 1.00 0.00 N ATOM 518 CA GLY C 34 69.450 -3.874 -6.359 1.00 0.00 C ATOM 519 C GLY C 34 69.014 -3.615 -4.921 1.00 0.00 C ATOM 520 O GLY C 34 68.177 -4.336 -4.377 1.00 0.00 O ATOM 0 H GLY C 34 71.363 -3.130 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.016 -3.120 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.072 -4.841 -6.690 1.00 0.00 H new ATOM 524 N CYS C 35 69.585 -2.582 -4.311 1.00 0.00 N ATOM 525 CA CYS C 35 69.247 -2.238 -2.935 1.00 0.00 C ATOM 526 C CYS C 35 68.895 -0.758 -2.824 1.00 0.00 C ATOM 527 O CYS C 35 68.711 -0.076 -3.832 1.00 0.00 O ATOM 528 CB CYS C 35 70.425 -2.555 -2.012 1.00 0.00 C ATOM 529 SG CYS C 35 71.190 -4.113 -2.524 1.00 0.00 S ATOM 0 H CYS C 35 70.279 -1.972 -4.744 1.00 0.00 H new ATOM 0 HA CYS C 35 68.382 -2.829 -2.635 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.157 -1.748 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.083 -2.627 -0.980 1.00 0.00 H new ATOM 0 HG CYS C 35 72.192 -4.382 -1.741 1.00 0.00 H new ATOM 535 N ILE C 36 68.803 -0.267 -1.592 1.00 0.00 N ATOM 536 CA ILE C 36 68.472 1.134 -1.361 1.00 0.00 C ATOM 537 C ILE C 36 69.478 1.772 -0.408 1.00 0.00 C ATOM 538 O ILE C 36 70.074 1.092 0.427 1.00 0.00 O ATOM 539 CB ILE C 36 67.066 1.249 -0.773 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.321 2.399 -1.454 1.00 0.00 C ATOM 541 CG2 ILE C 36 67.161 1.524 0.729 1.00 0.00 C ATOM 542 CD1 ILE C 36 67.151 3.680 -1.347 1.00 0.00 C ATOM 0 H ILE C 36 68.952 -0.814 -0.744 1.00 0.00 H new ATOM 0 HA ILE C 36 68.510 1.658 -2.316 1.00 0.00 H new ATOM 0 HB ILE C 36 66.527 0.316 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.138 2.158 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE C 36 65.348 2.544 -0.985 1.00 0.00 H new ATOM 0 HG21 ILE C 36 66.158 1.606 1.148 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.692 0.706 1.216 1.00 0.00 H new ATOM 0 HG23 ILE C 36 67.701 2.456 0.895 1.00 0.00 H new ATOM 0 HD11 ILE C 36 66.620 4.499 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE C 36 67.311 3.923 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE C 36 68.114 3.532 -1.836 1.00 0.00 H new ATOM 554 N SER C 37 69.662 3.082 -0.540 1.00 0.00 N ATOM 555 CA SER C 37 70.599 3.801 0.316 1.00 0.00 C ATOM 556 C SER C 37 70.241 5.283 0.375 1.00 0.00 C ATOM 557 O SER C 37 71.119 6.145 0.345 1.00 0.00 O ATOM 558 CB SER C 37 72.022 3.640 -0.218 1.00 0.00 C ATOM 559 OG SER C 37 72.178 4.432 -1.388 1.00 0.00 O ATOM 0 H SER C 37 69.179 3.663 -1.225 1.00 0.00 H new ATOM 0 HA SER C 37 70.539 3.383 1.321 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.744 3.945 0.540 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.221 2.593 -0.445 1.00 0.00 H new ATOM 0 HG SER C 37 72.201 5.380 -1.141 1.00 0.00 H new ATOM 565 N THR C 38 68.946 5.570 0.460 1.00 0.00 N ATOM 566 CA THR C 38 68.483 6.952 0.523 1.00 0.00 C ATOM 567 C THR C 38 68.680 7.645 -0.821 1.00 0.00 C ATOM 568 O THR C 38 67.736 8.187 -1.395 1.00 0.00 O ATOM 569 CB THR C 38 69.250 7.711 1.609 1.00 0.00 C ATOM 570 OG1 THR C 38 68.373 8.623 2.255 1.00 0.00 O ATOM 571 CG2 THR C 38 70.411 8.478 0.974 1.00 0.00 C ATOM 0 H THR C 38 68.204 4.871 0.487 1.00 0.00 H new ATOM 0 HA THR C 38 67.420 6.949 0.764 1.00 0.00 H new ATOM 0 HB THR C 38 69.642 7.004 2.340 1.00 0.00 H new ATOM 0 HG1 THR C 38 68.850 9.458 2.444 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.957 9.018 1.748 1.00 0.00 H new ATOM 0 HG22 THR C 38 71.083 7.777 0.479 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.022 9.186 0.242 1.00 0.00 H new ATOM 579 N LYS C 39 69.913 7.623 -1.317 1.00 0.00 N ATOM 580 CA LYS C 39 70.223 8.253 -2.595 1.00 0.00 C ATOM 581 C LYS C 39 69.131 7.955 -3.618 1.00 0.00 C ATOM 582 O LYS C 39 68.768 8.814 -4.421 1.00 0.00 O ATOM 583 CB LYS C 39 71.567 7.743 -3.117 1.00 0.00 C ATOM 584 CG LYS C 39 72.633 7.910 -2.032 1.00 0.00 C ATOM 585 CD LYS C 39 72.892 9.399 -1.794 1.00 0.00 C ATOM 586 CE LYS C 39 74.272 9.583 -1.161 1.00 0.00 C ATOM 587 NZ LYS C 39 74.241 10.748 -0.232 1.00 0.00 N ATOM 0 H LYS C 39 70.708 7.179 -0.857 1.00 0.00 H new ATOM 0 HA LYS C 39 70.279 9.331 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.484 6.694 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.854 8.295 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.303 7.435 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.555 7.414 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS C 39 72.837 9.944 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.123 9.813 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.559 8.681 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS C 39 75.021 9.742 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.179 10.874 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 73.985 11.606 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.537 10.578 0.515 1.00 0.00 H new ATOM 601 N GLU C 40 68.613 6.731 -3.583 1.00 0.00 N ATOM 602 CA GLU C 40 67.563 6.330 -4.512 1.00 0.00 C ATOM 603 C GLU C 40 66.186 6.558 -3.896 1.00 0.00 C ATOM 604 O GLU C 40 65.275 7.056 -4.557 1.00 0.00 O ATOM 605 CB GLU C 40 67.723 4.852 -4.875 1.00 0.00 C ATOM 606 CG GLU C 40 69.122 4.616 -5.447 1.00 0.00 C ATOM 607 CD GLU C 40 69.312 5.437 -6.718 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.315 5.779 -7.333 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.451 5.712 -7.058 1.00 0.00 O ATOM 0 H GLU C 40 68.901 6.005 -2.927 1.00 0.00 H new ATOM 0 HA GLU C 40 67.650 6.937 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.570 4.231 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.967 4.562 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.876 4.892 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.261 3.557 -5.664 1.00 0.00 H new ATOM 616 N LEU C 41 66.043 6.191 -2.627 1.00 0.00 N ATOM 617 CA LEU C 41 64.772 6.361 -1.932 1.00 0.00 C ATOM 618 C LEU C 41 64.330 7.820 -1.972 1.00 0.00 C ATOM 619 O LEU C 41 63.264 8.141 -2.497 1.00 0.00 O ATOM 620 CB LEU C 41 64.908 5.906 -0.478 1.00 0.00 C ATOM 621 CG LEU C 41 63.518 5.761 0.144 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.840 4.506 -0.407 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.651 5.642 1.664 1.00 0.00 C ATOM 0 H LEU C 41 66.785 5.777 -2.062 1.00 0.00 H new ATOM 0 HA LEU C 41 64.020 5.752 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.440 4.956 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.497 6.629 0.087 1.00 0.00 H new ATOM 0 HG LEU C 41 62.917 6.636 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.850 4.403 0.036 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.746 4.589 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU C 41 63.441 3.630 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.661 5.539 2.109 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.252 4.767 1.909 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.134 6.536 2.058 1.00 0.00 H new ATOM 635 N GLY C 42 65.156 8.699 -1.413 1.00 0.00 N ATOM 636 CA GLY C 42 64.839 10.122 -1.390 1.00 0.00 C ATOM 637 C GLY C 42 64.293 10.580 -2.738 1.00 0.00 C ATOM 638 O GLY C 42 63.370 11.392 -2.801 1.00 0.00 O ATOM 0 H GLY C 42 66.043 8.453 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.106 10.323 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.733 10.694 -1.142 1.00 0.00 H new ATOM 642 N LYS C 43 64.870 10.054 -3.814 1.00 0.00 N ATOM 643 CA LYS C 43 64.432 10.417 -5.157 1.00 0.00 C ATOM 644 C LYS C 43 62.913 10.336 -5.266 1.00 0.00 C ATOM 645 O LYS C 43 62.283 11.160 -5.929 1.00 0.00 O ATOM 646 CB LYS C 43 65.070 9.481 -6.185 1.00 0.00 C ATOM 647 CG LYS C 43 64.873 10.054 -7.590 1.00 0.00 C ATOM 648 CD LYS C 43 66.013 11.023 -7.911 1.00 0.00 C ATOM 649 CE LYS C 43 65.917 11.456 -9.375 1.00 0.00 C ATOM 650 NZ LYS C 43 66.509 10.400 -10.245 1.00 0.00 N ATOM 0 H LYS C 43 65.636 9.381 -3.783 1.00 0.00 H new ATOM 0 HA LYS C 43 64.745 11.442 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.133 9.363 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.620 8.490 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS C 43 64.850 9.248 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS C 43 63.915 10.570 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.958 11.894 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.975 10.545 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS C 43 64.875 11.625 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.442 12.400 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 66.521 10.729 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 67.481 10.199 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 65.938 9.533 -10.177 1.00 0.00 H new ATOM 664 N VAL C 44 62.330 9.337 -4.610 1.00 0.00 N ATOM 665 CA VAL C 44 60.884 9.157 -4.641 1.00 0.00 C ATOM 666 C VAL C 44 60.197 10.186 -3.749 1.00 0.00 C ATOM 667 O VAL C 44 59.143 10.719 -4.097 1.00 0.00 O ATOM 668 CB VAL C 44 60.523 7.748 -4.169 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.644 6.779 -4.548 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.345 7.750 -2.649 1.00 0.00 C ATOM 0 H VAL C 44 62.833 8.645 -4.055 1.00 0.00 H new ATOM 0 HA VAL C 44 60.541 9.295 -5.666 1.00 0.00 H new ATOM 0 HB VAL C 44 59.594 7.433 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.386 5.775 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.773 6.777 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.573 7.094 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.088 6.746 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.274 8.065 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.546 8.440 -2.377 1.00 0.00 H new ATOM 680 N MET C 45 60.801 10.460 -2.597 1.00 0.00 N ATOM 681 CA MET C 45 60.238 11.428 -1.662 1.00 0.00 C ATOM 682 C MET C 45 59.786 12.685 -2.399 1.00 0.00 C ATOM 683 O MET C 45 58.604 13.028 -2.394 1.00 0.00 O ATOM 684 CB MET C 45 61.279 11.800 -0.605 1.00 0.00 C ATOM 685 CG MET C 45 61.472 10.627 0.358 1.00 0.00 C ATOM 686 SD MET C 45 60.076 10.555 1.508 1.00 0.00 S ATOM 687 CE MET C 45 59.647 8.818 1.237 1.00 0.00 C ATOM 0 H MET C 45 61.673 10.029 -2.290 1.00 0.00 H new ATOM 0 HA MET C 45 59.374 10.975 -1.176 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.226 12.050 -1.084 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.956 12.685 -0.057 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.546 9.693 -0.199 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.405 10.745 0.909 1.00 0.00 H new ATOM 0 HE1 MET C 45 58.793 8.553 1.860 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.392 8.665 0.188 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.497 8.188 1.499 1.00 0.00 H new ATOM 697 N ARG C 46 60.735 13.367 -3.031 1.00 0.00 N ATOM 698 CA ARG C 46 60.423 14.586 -3.769 1.00 0.00 C ATOM 699 C ARG C 46 59.097 14.439 -4.508 1.00 0.00 C ATOM 700 O ARG C 46 58.326 15.393 -4.615 1.00 0.00 O ATOM 701 CB ARG C 46 61.538 14.889 -4.772 1.00 0.00 C ATOM 702 CG ARG C 46 61.273 16.241 -5.437 1.00 0.00 C ATOM 703 CD ARG C 46 62.369 16.527 -6.465 1.00 0.00 C ATOM 704 NE ARG C 46 62.204 17.867 -7.018 1.00 0.00 N ATOM 705 CZ ARG C 46 62.480 18.947 -6.295 1.00 0.00 C ATOM 706 NH1 ARG C 46 62.906 18.820 -5.068 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.325 20.135 -6.812 1.00 0.00 N ATOM 0 H ARG C 46 61.719 13.100 -3.048 1.00 0.00 H new ATOM 0 HA ARG C 46 60.341 15.408 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.503 14.904 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.586 14.104 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG C 46 60.297 16.235 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.250 17.030 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.349 16.437 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG C 46 62.329 15.788 -7.265 1.00 0.00 H new ATOM 0 HE ARG C 46 61.871 17.977 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG C 46 63.027 17.891 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG C 46 63.118 19.649 -4.513 1.00 0.00 H new ATOM 0 HH21 ARG C 46 61.992 20.234 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG C 46 62.537 20.964 -6.257 1.00 0.00 H new ATOM 721 N MET C 47 58.838 13.239 -5.017 1.00 0.00 N ATOM 722 CA MET C 47 57.601 12.979 -5.745 1.00 0.00 C ATOM 723 C MET C 47 56.473 12.635 -4.778 1.00 0.00 C ATOM 724 O MET C 47 55.307 12.932 -5.039 1.00 0.00 O ATOM 725 CB MET C 47 57.806 11.823 -6.725 1.00 0.00 C ATOM 726 CG MET C 47 57.146 12.164 -8.062 1.00 0.00 C ATOM 727 SD MET C 47 55.378 12.455 -7.806 1.00 0.00 S ATOM 728 CE MET C 47 54.960 10.798 -7.211 1.00 0.00 C ATOM 0 H MET C 47 59.463 12.436 -4.940 1.00 0.00 H new ATOM 0 HA MET C 47 57.329 13.879 -6.297 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.871 11.639 -6.869 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.377 10.907 -6.319 1.00 0.00 H new ATOM 0 HG2 MET C 47 57.612 13.049 -8.494 1.00 0.00 H new ATOM 0 HG3 MET C 47 57.292 11.349 -8.770 1.00 0.00 H new ATOM 0 HE1 MET C 47 54.011 10.484 -7.646 1.00 0.00 H new ATOM 0 HE2 MET C 47 55.743 10.098 -7.504 1.00 0.00 H new ATOM 0 HE3 MET C 47 54.874 10.813 -6.125 1.00 0.00 H new ATOM 738 N LEU C 48 56.828 12.009 -3.661 1.00 0.00 N ATOM 739 CA LEU C 48 55.836 11.629 -2.661 1.00 0.00 C ATOM 740 C LEU C 48 55.248 12.868 -1.992 1.00 0.00 C ATOM 741 O LEU C 48 54.247 12.785 -1.281 1.00 0.00 O ATOM 742 CB LEU C 48 56.478 10.732 -1.602 1.00 0.00 C ATOM 743 CG LEU C 48 55.429 10.338 -0.561 1.00 0.00 C ATOM 744 CD1 LEU C 48 54.245 9.667 -1.258 1.00 0.00 C ATOM 745 CD2 LEU C 48 56.049 9.363 0.442 1.00 0.00 C ATOM 0 H LEU C 48 57.788 11.755 -3.426 1.00 0.00 H new ATOM 0 HA LEU C 48 55.035 11.084 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.894 9.840 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU C 48 57.305 11.254 -1.121 1.00 0.00 H new ATOM 0 HG LEU C 48 55.084 11.229 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU C 48 53.497 9.386 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU C 48 53.803 10.361 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU C 48 54.589 8.775 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.303 9.081 1.185 1.00 0.00 H new ATOM 0 HD22 LEU C 48 56.394 8.472 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU C 48 56.893 9.840 0.939 1.00 0.00 H new ATOM 757 N GLY C 49 55.878 14.015 -2.225 1.00 0.00 N ATOM 758 CA GLY C 49 55.408 15.265 -1.639 1.00 0.00 C ATOM 759 C GLY C 49 56.280 15.674 -0.457 1.00 0.00 C ATOM 760 O GLY C 49 55.876 16.490 0.372 1.00 0.00 O ATOM 0 H GLY C 49 56.708 14.105 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.419 16.052 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.375 15.152 -1.312 1.00 0.00 H new ATOM 764 N GLN C 50 57.477 15.102 -0.385 1.00 0.00 N ATOM 765 CA GLN C 50 58.399 15.415 0.700 1.00 0.00 C ATOM 766 C GLN C 50 59.841 15.391 0.203 1.00 0.00 C ATOM 767 O GLN C 50 60.091 15.370 -1.002 1.00 0.00 O ATOM 768 CB GLN C 50 58.232 14.402 1.835 1.00 0.00 C ATOM 769 CG GLN C 50 56.969 13.572 1.598 1.00 0.00 C ATOM 770 CD GLN C 50 55.735 14.376 1.992 1.00 0.00 C ATOM 771 OE1 GLN C 50 54.786 14.480 1.215 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.690 14.954 3.161 1.00 0.00 N ATOM 0 H GLN C 50 57.830 14.424 -1.060 1.00 0.00 H new ATOM 0 HA GLN C 50 58.171 16.415 1.068 1.00 0.00 H new ATOM 0 HB2 GLN C 50 59.104 13.750 1.886 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.165 14.920 2.792 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.905 13.283 0.549 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.014 12.651 2.180 1.00 0.00 H new ATOM 0 HE21 GLN C 50 56.477 14.867 3.804 1.00 0.00 H new ATOM 0 HE22 GLN C 50 54.868 15.493 3.432 1.00 0.00 H new ATOM 781 N ASN C 51 60.785 15.393 1.138 1.00 0.00 N ATOM 782 CA ASN C 51 62.199 15.372 0.782 1.00 0.00 C ATOM 783 C ASN C 51 63.066 15.272 2.033 1.00 0.00 C ATOM 784 O ASN C 51 63.578 16.275 2.529 1.00 0.00 O ATOM 785 CB ASN C 51 62.561 16.641 0.008 1.00 0.00 C ATOM 786 CG ASN C 51 64.066 16.878 0.071 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.822 16.285 -0.699 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.549 17.714 0.949 1.00 0.00 N ATOM 0 H ASN C 51 60.599 15.409 2.141 1.00 0.00 H new ATOM 0 HA ASN C 51 62.384 14.499 0.156 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.242 16.547 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.032 17.496 0.428 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.555 17.877 0.998 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.921 18.204 1.586 1.00 0.00 H new ATOM 795 N PRO C 52 63.234 14.083 2.543 1.00 0.00 N ATOM 796 CA PRO C 52 64.056 13.836 3.763 1.00 0.00 C ATOM 797 C PRO C 52 65.552 13.958 3.482 1.00 0.00 C ATOM 798 O PRO C 52 65.995 13.795 2.345 1.00 0.00 O ATOM 799 CB PRO C 52 63.690 12.406 4.162 1.00 0.00 C ATOM 800 CG PRO C 52 63.239 11.743 2.902 1.00 0.00 C ATOM 801 CD PRO C 52 62.656 12.840 2.009 1.00 0.00 C ATOM 0 HA PRO C 52 63.856 14.566 4.547 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.546 11.888 4.593 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.901 12.398 4.914 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.073 11.245 2.408 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.491 10.979 3.114 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.929 12.690 0.964 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.567 12.855 2.055 1.00 0.00 H new ATOM 809 N THR C 53 66.323 14.244 4.526 1.00 0.00 N ATOM 810 CA THR C 53 67.767 14.386 4.380 1.00 0.00 C ATOM 811 C THR C 53 68.438 13.016 4.341 1.00 0.00 C ATOM 812 O THR C 53 67.833 12.005 4.698 1.00 0.00 O ATOM 813 CB THR C 53 68.333 15.201 5.544 1.00 0.00 C ATOM 814 OG1 THR C 53 69.307 14.428 6.232 1.00 0.00 O ATOM 815 CG2 THR C 53 67.203 15.574 6.505 1.00 0.00 C ATOM 0 H THR C 53 65.976 14.381 5.475 1.00 0.00 H new ATOM 0 HA THR C 53 67.969 14.905 3.443 1.00 0.00 H new ATOM 0 HB THR C 53 68.795 16.110 5.160 1.00 0.00 H new ATOM 0 HG1 THR C 53 69.672 14.949 6.977 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.607 16.155 7.334 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.457 16.167 5.976 1.00 0.00 H new ATOM 0 HG23 THR C 53 66.739 14.666 6.890 1.00 0.00 H new ATOM 823 N PRO C 54 69.671 12.973 3.917 1.00 0.00 N ATOM 824 CA PRO C 54 70.450 11.704 3.826 1.00 0.00 C ATOM 825 C PRO C 54 70.859 11.182 5.201 1.00 0.00 C ATOM 826 O PRO C 54 71.193 10.007 5.355 1.00 0.00 O ATOM 827 CB PRO C 54 71.679 12.091 3.001 1.00 0.00 C ATOM 828 CG PRO C 54 71.850 13.560 3.205 1.00 0.00 C ATOM 829 CD PRO C 54 70.458 14.134 3.475 1.00 0.00 C ATOM 0 HA PRO C 54 69.869 10.898 3.379 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.562 11.544 3.331 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.534 11.855 1.947 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.519 13.759 4.042 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.295 14.023 2.324 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.488 14.910 4.240 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.033 14.586 2.579 1.00 0.00 H new ATOM 837 N GLU C 55 70.830 12.063 6.196 1.00 0.00 N ATOM 838 CA GLU C 55 71.199 11.679 7.554 1.00 0.00 C ATOM 839 C GLU C 55 70.020 11.021 8.264 1.00 0.00 C ATOM 840 O GLU C 55 70.204 10.147 9.111 1.00 0.00 O ATOM 841 CB GLU C 55 71.647 12.912 8.341 1.00 0.00 C ATOM 842 CG GLU C 55 72.903 13.502 7.695 1.00 0.00 C ATOM 843 CD GLU C 55 74.082 12.555 7.889 1.00 0.00 C ATOM 844 OE1 GLU C 55 73.969 11.660 8.711 1.00 0.00 O ATOM 845 OE2 GLU C 55 75.081 12.739 7.213 1.00 0.00 O ATOM 0 H GLU C 55 70.557 13.040 6.089 1.00 0.00 H new ATOM 0 HA GLU C 55 72.020 10.964 7.499 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.850 13.655 8.357 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.851 12.641 9.377 1.00 0.00 H new ATOM 0 HG2 GLU C 55 72.731 13.669 6.632 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.128 14.472 8.138 1.00 0.00 H new ATOM 852 N GLU C 56 68.811 11.446 7.911 1.00 0.00 N ATOM 853 CA GLU C 56 67.609 10.890 8.522 1.00 0.00 C ATOM 854 C GLU C 56 67.083 9.719 7.698 1.00 0.00 C ATOM 855 O GLU C 56 66.668 8.698 8.247 1.00 0.00 O ATOM 856 CB GLU C 56 66.530 11.968 8.626 1.00 0.00 C ATOM 857 CG GLU C 56 67.021 13.096 9.535 1.00 0.00 C ATOM 858 CD GLU C 56 65.937 14.159 9.679 1.00 0.00 C ATOM 859 OE1 GLU C 56 64.963 14.086 8.949 1.00 0.00 O ATOM 860 OE2 GLU C 56 66.097 15.031 10.518 1.00 0.00 O ATOM 0 H GLU C 56 68.638 12.167 7.211 1.00 0.00 H new ATOM 0 HA GLU C 56 67.863 10.533 9.520 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.296 12.360 7.636 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.610 11.540 9.025 1.00 0.00 H new ATOM 0 HG2 GLU C 56 67.283 12.697 10.515 1.00 0.00 H new ATOM 0 HG3 GLU C 56 67.925 13.541 9.120 1.00 0.00 H new ATOM 867 N LEU C 57 67.103 9.873 6.378 1.00 0.00 N ATOM 868 CA LEU C 57 66.626 8.822 5.488 1.00 0.00 C ATOM 869 C LEU C 57 67.009 7.448 6.028 1.00 0.00 C ATOM 870 O LEU C 57 66.209 6.512 5.996 1.00 0.00 O ATOM 871 CB LEU C 57 67.222 9.008 4.092 1.00 0.00 C ATOM 872 CG LEU C 57 66.210 9.723 3.196 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.953 10.545 2.141 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.323 8.687 2.502 1.00 0.00 C ATOM 0 H LEU C 57 67.442 10.710 5.904 1.00 0.00 H new ATOM 0 HA LEU C 57 65.540 8.887 5.430 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.143 9.588 4.153 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.482 8.040 3.664 1.00 0.00 H new ATOM 0 HG LEU C 57 65.592 10.384 3.803 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.232 11.055 1.502 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.586 11.283 2.634 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.572 9.884 1.534 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.601 9.196 1.863 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.942 8.026 1.895 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.793 8.100 3.253 1.00 0.00 H new ATOM 886 N GLN C 58 68.237 7.334 6.524 1.00 0.00 N ATOM 887 CA GLN C 58 68.716 6.068 7.068 1.00 0.00 C ATOM 888 C GLN C 58 67.623 5.390 7.888 1.00 0.00 C ATOM 889 O GLN C 58 67.498 4.165 7.881 1.00 0.00 O ATOM 890 CB GLN C 58 69.942 6.310 7.950 1.00 0.00 C ATOM 891 CG GLN C 58 71.102 6.811 7.087 1.00 0.00 C ATOM 892 CD GLN C 58 72.309 7.121 7.965 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.174 7.261 9.181 1.00 0.00 O ATOM 894 NE2 GLN C 58 73.488 7.239 7.419 1.00 0.00 N ATOM 0 H GLN C 58 68.914 8.096 6.561 1.00 0.00 H new ATOM 0 HA GLN C 58 68.989 5.417 6.238 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.708 7.042 8.723 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.225 5.388 8.458 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.366 6.058 6.345 1.00 0.00 H new ATOM 0 HG3 GLN C 58 70.800 7.705 6.541 1.00 0.00 H new ATOM 0 HE21 GLN C 58 73.597 7.123 6.412 1.00 0.00 H new ATOM 0 HE22 GLN C 58 74.300 7.448 8.000 1.00 0.00 H new ATOM 903 N GLU C 59 66.833 6.194 8.593 1.00 0.00 N ATOM 904 CA GLU C 59 65.753 5.660 9.414 1.00 0.00 C ATOM 905 C GLU C 59 64.864 4.732 8.593 1.00 0.00 C ATOM 906 O GLU C 59 64.460 3.668 9.062 1.00 0.00 O ATOM 907 CB GLU C 59 64.913 6.806 9.981 1.00 0.00 C ATOM 908 CG GLU C 59 65.777 7.665 10.906 1.00 0.00 C ATOM 909 CD GLU C 59 64.961 8.835 11.443 1.00 0.00 C ATOM 910 OE1 GLU C 59 63.867 9.047 10.946 1.00 0.00 O ATOM 911 OE2 GLU C 59 65.442 9.503 12.345 1.00 0.00 O ATOM 0 H GLU C 59 66.919 7.210 8.612 1.00 0.00 H new ATOM 0 HA GLU C 59 66.192 5.091 10.234 1.00 0.00 H new ATOM 0 HB2 GLU C 59 64.515 7.415 9.169 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.059 6.408 10.530 1.00 0.00 H new ATOM 0 HG2 GLU C 59 66.150 7.061 11.733 1.00 0.00 H new ATOM 0 HG3 GLU C 59 66.647 8.036 10.364 1.00 0.00 H new ATOM 918 N MET C 60 64.564 5.142 7.365 1.00 0.00 N ATOM 919 CA MET C 60 63.721 4.339 6.487 1.00 0.00 C ATOM 920 C MET C 60 64.401 3.013 6.158 1.00 0.00 C ATOM 921 O MET C 60 63.750 2.061 5.727 1.00 0.00 O ATOM 922 CB MET C 60 63.437 5.104 5.193 1.00 0.00 C ATOM 923 CG MET C 60 62.734 6.422 5.522 1.00 0.00 C ATOM 924 SD MET C 60 61.087 6.077 6.188 1.00 0.00 S ATOM 925 CE MET C 60 60.964 7.534 7.255 1.00 0.00 C ATOM 0 H MET C 60 64.889 6.019 6.958 1.00 0.00 H new ATOM 0 HA MET C 60 62.782 4.135 7.002 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.369 5.299 4.662 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.813 4.502 4.532 1.00 0.00 H new ATOM 0 HG2 MET C 60 63.320 6.988 6.246 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.654 7.038 4.626 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.006 7.525 7.774 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.773 7.519 7.986 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.040 8.437 6.649 1.00 0.00 H new ATOM 935 N ILE C 61 65.712 2.959 6.364 1.00 0.00 N ATOM 936 CA ILE C 61 66.470 1.745 6.086 1.00 0.00 C ATOM 937 C ILE C 61 66.794 1.007 7.381 1.00 0.00 C ATOM 938 O ILE C 61 66.758 -0.223 7.432 1.00 0.00 O ATOM 939 CB ILE C 61 67.768 2.095 5.358 1.00 0.00 C ATOM 940 CG1 ILE C 61 68.921 2.133 6.364 1.00 0.00 C ATOM 941 CG2 ILE C 61 67.628 3.465 4.692 1.00 0.00 C ATOM 942 CD1 ILE C 61 69.382 0.707 6.668 1.00 0.00 C ATOM 0 H ILE C 61 66.269 3.736 6.720 1.00 0.00 H new ATOM 0 HA ILE C 61 65.863 1.097 5.454 1.00 0.00 H new ATOM 0 HB ILE C 61 67.972 1.341 4.597 1.00 0.00 H new ATOM 0 HG12 ILE C 61 69.749 2.716 5.962 1.00 0.00 H new ATOM 0 HG13 ILE C 61 68.600 2.626 7.282 1.00 0.00 H new ATOM 0 HG21 ILE C 61 68.554 3.714 4.173 1.00 0.00 H new ATOM 0 HG22 ILE C 61 66.807 3.439 3.976 1.00 0.00 H new ATOM 0 HG23 ILE C 61 67.424 4.220 5.452 1.00 0.00 H new ATOM 0 HD11 ILE C 61 70.203 0.735 7.384 1.00 0.00 H new ATOM 0 HD12 ILE C 61 68.553 0.138 7.089 1.00 0.00 H new ATOM 0 HD13 ILE C 61 69.719 0.230 5.748 1.00 0.00 H new ATOM 954 N ASP C 62 67.109 1.766 8.426 1.00 0.00 N ATOM 955 CA ASP C 62 67.437 1.172 9.717 1.00 0.00 C ATOM 956 C ASP C 62 66.189 0.591 10.373 1.00 0.00 C ATOM 957 O ASP C 62 66.279 -0.165 11.340 1.00 0.00 O ATOM 958 CB ASP C 62 68.054 2.229 10.635 1.00 0.00 C ATOM 959 CG ASP C 62 69.404 2.674 10.085 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.017 1.897 9.372 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.806 3.786 10.385 1.00 0.00 O ATOM 0 H ASP C 62 67.144 2.785 8.405 1.00 0.00 H new ATOM 0 HA ASP C 62 68.155 0.368 9.554 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.385 3.086 10.717 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.177 1.823 11.639 1.00 0.00 H new ATOM 966 N GLU C 63 65.025 0.950 9.840 1.00 0.00 N ATOM 967 CA GLU C 63 63.764 0.458 10.382 1.00 0.00 C ATOM 968 C GLU C 63 63.552 -1.004 10.003 1.00 0.00 C ATOM 969 O GLU C 63 62.735 -1.700 10.607 1.00 0.00 O ATOM 970 CB GLU C 63 62.603 1.299 9.850 1.00 0.00 C ATOM 971 CG GLU C 63 62.405 2.523 10.746 1.00 0.00 C ATOM 972 CD GLU C 63 61.852 2.093 12.101 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.363 0.978 12.192 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.925 2.883 13.027 1.00 0.00 O ATOM 0 H GLU C 63 64.929 1.575 9.040 1.00 0.00 H new ATOM 0 HA GLU C 63 63.801 0.538 11.468 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.807 1.614 8.827 1.00 0.00 H new ATOM 0 HB3 GLU C 63 61.691 0.703 9.824 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.353 3.044 10.880 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.720 3.225 10.271 1.00 0.00 H new ATOM 981 N VAL C 64 64.292 -1.463 8.999 1.00 0.00 N ATOM 982 CA VAL C 64 64.175 -2.845 8.547 1.00 0.00 C ATOM 983 C VAL C 64 65.529 -3.373 8.084 1.00 0.00 C ATOM 984 O VAL C 64 65.655 -3.902 6.979 1.00 0.00 O ATOM 985 CB VAL C 64 63.170 -2.936 7.399 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.765 -2.633 7.924 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.539 -1.918 6.317 1.00 0.00 C ATOM 0 H VAL C 64 64.974 -0.904 8.486 1.00 0.00 H new ATOM 0 HA VAL C 64 63.827 -3.453 9.382 1.00 0.00 H new ATOM 0 HB VAL C 64 63.191 -3.941 6.977 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.049 -2.698 7.105 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.501 -3.356 8.695 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.743 -1.628 8.346 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.823 -1.982 5.498 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.518 -0.914 6.740 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.540 -2.132 5.942 1.00 0.00 H new ATOM 997 N ASP C 65 66.539 -3.226 8.935 1.00 0.00 N ATOM 998 CA ASP C 65 67.880 -3.692 8.602 1.00 0.00 C ATOM 999 C ASP C 65 68.318 -4.794 9.561 1.00 0.00 C ATOM 1000 O ASP C 65 69.016 -4.536 10.541 1.00 0.00 O ATOM 1001 CB ASP C 65 68.871 -2.528 8.673 1.00 0.00 C ATOM 1002 CG ASP C 65 70.254 -2.993 8.229 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.434 -4.190 8.075 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.112 -2.145 8.050 1.00 0.00 O ATOM 0 H ASP C 65 66.456 -2.791 9.854 1.00 0.00 H new ATOM 0 HA ASP C 65 67.863 -4.093 7.589 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.531 -1.711 8.037 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.918 -2.141 9.691 1.00 0.00 H new ATOM 1009 N GLU C 66 67.903 -6.023 9.271 1.00 0.00 N ATOM 1010 CA GLU C 66 68.259 -7.158 10.115 1.00 0.00 C ATOM 1011 C GLU C 66 69.410 -7.945 9.497 1.00 0.00 C ATOM 1012 O GLU C 66 69.476 -9.168 9.621 1.00 0.00 O ATOM 1013 CB GLU C 66 67.048 -8.076 10.293 1.00 0.00 C ATOM 1014 CG GLU C 66 65.861 -7.261 10.809 1.00 0.00 C ATOM 1015 CD GLU C 66 66.095 -6.862 12.262 1.00 0.00 C ATOM 1016 OE1 GLU C 66 66.997 -7.414 12.869 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.367 -6.011 12.746 1.00 0.00 O ATOM 0 H GLU C 66 67.324 -6.258 8.464 1.00 0.00 H new ATOM 0 HA GLU C 66 68.574 -6.779 11.087 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.794 -8.548 9.344 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.285 -8.877 10.994 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.727 -6.370 10.196 1.00 0.00 H new ATOM 0 HG3 GLU C 66 64.945 -7.846 10.727 1.00 0.00 H new ATOM 1024 N ASP C 67 70.316 -7.236 8.832 1.00 0.00 N ATOM 1025 CA ASP C 67 71.462 -7.879 8.199 1.00 0.00 C ATOM 1026 C ASP C 67 72.721 -7.040 8.391 1.00 0.00 C ATOM 1027 O ASP C 67 73.826 -7.480 8.075 1.00 0.00 O ATOM 1028 CB ASP C 67 71.195 -8.067 6.705 1.00 0.00 C ATOM 1029 CG ASP C 67 71.063 -6.710 6.023 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.420 -5.721 6.642 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.607 -6.679 4.892 1.00 0.00 O ATOM 0 H ASP C 67 70.280 -6.223 8.718 1.00 0.00 H new ATOM 0 HA ASP C 67 71.613 -8.852 8.666 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.008 -8.634 6.251 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.283 -8.646 6.560 1.00 0.00 H new ATOM 1036 N GLY C 68 72.546 -5.829 8.911 1.00 0.00 N ATOM 1037 CA GLY C 68 73.676 -4.937 9.141 1.00 0.00 C ATOM 1038 C GLY C 68 74.434 -4.673 7.845 1.00 0.00 C ATOM 1039 O GLY C 68 75.650 -4.853 7.778 1.00 0.00 O ATOM 0 H GLY C 68 71.640 -5.445 9.179 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.321 -3.994 9.558 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.348 -5.378 9.877 1.00 0.00 H new ATOM 1043 N SER C 69 73.708 -4.246 6.817 1.00 0.00 N ATOM 1044 CA SER C 69 74.324 -3.961 5.526 1.00 0.00 C ATOM 1045 C SER C 69 74.218 -2.475 5.199 1.00 0.00 C ATOM 1046 O SER C 69 75.109 -1.903 4.571 1.00 0.00 O ATOM 1047 CB SER C 69 73.638 -4.776 4.429 1.00 0.00 C ATOM 1048 OG SER C 69 72.373 -4.199 4.136 1.00 0.00 O ATOM 0 H SER C 69 72.700 -4.091 6.851 1.00 0.00 H new ATOM 0 HA SER C 69 75.377 -4.236 5.578 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.258 -4.795 3.533 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.513 -5.809 4.752 1.00 0.00 H new ATOM 0 HG SER C 69 71.676 -4.884 4.209 1.00 0.00 H new ATOM 1054 N GLY C 70 73.123 -1.856 5.629 1.00 0.00 N ATOM 1055 CA GLY C 70 72.912 -0.435 5.376 1.00 0.00 C ATOM 1056 C GLY C 70 71.891 -0.227 4.263 1.00 0.00 C ATOM 1057 O GLY C 70 71.128 0.739 4.280 1.00 0.00 O ATOM 0 H GLY C 70 72.374 -2.311 6.150 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.567 0.054 6.287 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.857 0.034 5.101 1.00 0.00 H new ATOM 1061 N THR C 71 71.882 -1.139 3.296 1.00 0.00 N ATOM 1062 CA THR C 71 70.949 -1.045 2.179 1.00 0.00 C ATOM 1063 C THR C 71 69.752 -1.963 2.402 1.00 0.00 C ATOM 1064 O THR C 71 69.850 -2.968 3.107 1.00 0.00 O ATOM 1065 CB THR C 71 71.654 -1.429 0.876 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.659 -2.843 0.742 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.092 -0.911 0.900 1.00 0.00 C ATOM 0 H THR C 71 72.505 -1.946 3.263 1.00 0.00 H new ATOM 0 HA THR C 71 70.595 -0.016 2.111 1.00 0.00 H new ATOM 0 HB THR C 71 71.126 -0.986 0.032 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.242 -3.099 -0.003 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.593 -1.185 -0.028 1.00 0.00 H new ATOM 0 HG22 THR C 71 73.086 0.174 1.003 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.624 -1.352 1.743 1.00 0.00 H new ATOM 1075 N VAL C 72 68.622 -1.612 1.797 1.00 0.00 N ATOM 1076 CA VAL C 72 67.411 -2.413 1.937 1.00 0.00 C ATOM 1077 C VAL C 72 67.209 -3.297 0.711 1.00 0.00 C ATOM 1078 O VAL C 72 67.644 -2.958 -0.390 1.00 0.00 O ATOM 1079 CB VAL C 72 66.198 -1.498 2.114 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.942 -2.349 2.312 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.408 -0.607 3.340 1.00 0.00 C ATOM 0 H VAL C 72 68.519 -0.785 1.209 1.00 0.00 H new ATOM 0 HA VAL C 72 67.518 -3.049 2.816 1.00 0.00 H new ATOM 0 HB VAL C 72 66.079 -0.876 1.227 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.077 -1.698 2.438 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.793 -2.986 1.440 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.060 -2.971 3.199 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.544 0.046 3.468 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.526 -1.230 4.227 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.303 -0.001 3.200 1.00 0.00 H new ATOM 1091 N ASP C 73 66.545 -4.431 0.909 1.00 0.00 N ATOM 1092 CA ASP C 73 66.291 -5.358 -0.189 1.00 0.00 C ATOM 1093 C ASP C 73 64.843 -5.837 -0.161 1.00 0.00 C ATOM 1094 O ASP C 73 64.067 -5.446 0.711 1.00 0.00 O ATOM 1095 CB ASP C 73 67.231 -6.560 -0.086 1.00 0.00 C ATOM 1096 CG ASP C 73 67.316 -7.273 -1.431 1.00 0.00 C ATOM 1097 OD1 ASP C 73 66.770 -6.752 -2.390 1.00 0.00 O ATOM 1098 OD2 ASP C 73 67.925 -8.328 -1.483 1.00 0.00 O ATOM 0 H ASP C 73 66.175 -4.729 1.812 1.00 0.00 H new ATOM 0 HA ASP C 73 66.471 -4.837 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP C 73 68.223 -6.231 0.224 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.871 -7.249 0.678 1.00 0.00 H new ATOM 1103 N PHE C 74 64.487 -6.685 -1.120 1.00 0.00 N ATOM 1104 CA PHE C 74 63.129 -7.211 -1.196 1.00 0.00 C ATOM 1105 C PHE C 74 62.736 -7.870 0.122 1.00 0.00 C ATOM 1106 O PHE C 74 61.552 -8.037 0.416 1.00 0.00 O ATOM 1107 CB PHE C 74 63.027 -8.232 -2.330 1.00 0.00 C ATOM 1108 CG PHE C 74 63.813 -9.469 -1.966 1.00 0.00 C ATOM 1109 CD1 PHE C 74 63.195 -10.509 -1.263 1.00 0.00 C ATOM 1110 CD2 PHE C 74 65.160 -9.575 -2.333 1.00 0.00 C ATOM 1111 CE1 PHE C 74 63.924 -11.656 -0.926 1.00 0.00 C ATOM 1112 CE2 PHE C 74 65.889 -10.722 -1.996 1.00 0.00 C ATOM 1113 CZ PHE C 74 65.271 -11.762 -1.292 1.00 0.00 C ATOM 0 H PHE C 74 65.115 -7.021 -1.850 1.00 0.00 H new ATOM 0 HA PHE C 74 62.449 -6.382 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE C 74 61.983 -8.491 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.411 -7.803 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE C 74 62.156 -10.427 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE C 74 65.637 -8.772 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE C 74 63.447 -12.459 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE C 74 66.928 -10.804 -2.279 1.00 0.00 H new ATOM 0 HZ PHE C 74 65.833 -12.646 -1.031 1.00 0.00 H new ATOM 1123 N ASP C 75 63.737 -8.244 0.913 1.00 0.00 N ATOM 1124 CA ASP C 75 63.484 -8.885 2.198 1.00 0.00 C ATOM 1125 C ASP C 75 63.184 -7.840 3.268 1.00 0.00 C ATOM 1126 O ASP C 75 62.217 -7.968 4.020 1.00 0.00 O ATOM 1127 CB ASP C 75 64.701 -9.712 2.617 1.00 0.00 C ATOM 1128 CG ASP C 75 64.409 -10.442 3.924 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.260 -10.447 4.334 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.339 -10.987 4.496 1.00 0.00 O ATOM 0 H ASP C 75 64.724 -8.115 0.689 1.00 0.00 H new ATOM 0 HA ASP C 75 62.619 -9.539 2.093 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.949 -10.431 1.836 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.568 -9.063 2.739 1.00 0.00 H new ATOM 1135 N GLU C 76 64.018 -6.807 3.330 1.00 0.00 N ATOM 1136 CA GLU C 76 63.831 -5.746 4.313 1.00 0.00 C ATOM 1137 C GLU C 76 62.715 -4.802 3.877 1.00 0.00 C ATOM 1138 O GLU C 76 61.839 -4.454 4.669 1.00 0.00 O ATOM 1139 CB GLU C 76 65.131 -4.957 4.483 1.00 0.00 C ATOM 1140 CG GLU C 76 66.194 -5.855 5.120 1.00 0.00 C ATOM 1141 CD GLU C 76 67.510 -5.096 5.244 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.554 -3.951 4.825 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.456 -5.671 5.757 1.00 0.00 O ATOM 0 H GLU C 76 64.823 -6.682 2.717 1.00 0.00 H new ATOM 0 HA GLU C 76 63.555 -6.202 5.264 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.478 -4.595 3.515 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.958 -4.081 5.108 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.861 -6.185 6.104 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.336 -6.750 4.514 1.00 0.00 H new ATOM 1150 N PHE C 77 62.752 -4.393 2.613 1.00 0.00 N ATOM 1151 CA PHE C 77 61.738 -3.489 2.083 1.00 0.00 C ATOM 1152 C PHE C 77 60.340 -4.035 2.352 1.00 0.00 C ATOM 1153 O PHE C 77 59.563 -3.438 3.097 1.00 0.00 O ATOM 1154 CB PHE C 77 61.936 -3.309 0.576 1.00 0.00 C ATOM 1155 CG PHE C 77 61.070 -2.172 0.087 1.00 0.00 C ATOM 1156 CD1 PHE C 77 59.752 -2.420 -0.315 1.00 0.00 C ATOM 1157 CD2 PHE C 77 61.584 -0.872 0.037 1.00 0.00 C ATOM 1158 CE1 PHE C 77 58.949 -1.367 -0.769 1.00 0.00 C ATOM 1159 CE2 PHE C 77 60.781 0.182 -0.417 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.464 -0.066 -0.819 1.00 0.00 C ATOM 0 H PHE C 77 63.467 -4.671 1.941 1.00 0.00 H new ATOM 0 HA PHE C 77 61.841 -2.525 2.581 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.984 -3.102 0.358 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.677 -4.229 0.052 1.00 0.00 H new ATOM 0 HD1 PHE C 77 59.355 -3.424 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE C 77 62.600 -0.681 0.349 1.00 0.00 H new ATOM 0 HE1 PHE C 77 57.933 -1.558 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE C 77 61.178 1.186 -0.457 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.844 0.747 -1.168 1.00 0.00 H new ATOM 1170 N LEU C 78 60.027 -5.174 1.742 1.00 0.00 N ATOM 1171 CA LEU C 78 58.718 -5.792 1.924 1.00 0.00 C ATOM 1172 C LEU C 78 58.178 -5.502 3.321 1.00 0.00 C ATOM 1173 O LEU C 78 57.105 -4.918 3.473 1.00 0.00 O ATOM 1174 CB LEU C 78 58.822 -7.304 1.718 1.00 0.00 C ATOM 1175 CG LEU C 78 57.512 -7.830 1.129 1.00 0.00 C ATOM 1176 CD1 LEU C 78 57.305 -7.239 -0.266 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.575 -9.356 1.031 1.00 0.00 C ATOM 0 H LEU C 78 60.656 -5.684 1.122 1.00 0.00 H new ATOM 0 HA LEU C 78 58.033 -5.372 1.188 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.652 -7.534 1.050 1.00 0.00 H new ATOM 0 HB3 LEU C 78 59.030 -7.798 2.667 1.00 0.00 H new ATOM 0 HG LEU C 78 56.682 -7.540 1.773 1.00 0.00 H new ATOM 0 HD11 LEU C 78 56.371 -7.614 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU C 78 57.261 -6.152 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.135 -7.529 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.642 -9.732 0.611 1.00 0.00 H new ATOM 0 HD22 LEU C 78 58.405 -9.645 0.387 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.722 -9.779 2.025 1.00 0.00 H new ATOM 1189 N VAL C 79 58.929 -5.914 4.337 1.00 0.00 N ATOM 1190 CA VAL C 79 58.515 -5.693 5.718 1.00 0.00 C ATOM 1191 C VAL C 79 58.167 -4.225 5.944 1.00 0.00 C ATOM 1192 O VAL C 79 57.191 -3.907 6.624 1.00 0.00 O ATOM 1193 CB VAL C 79 59.638 -6.105 6.671 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.296 -5.648 8.091 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.789 -7.628 6.650 1.00 0.00 C ATOM 0 H VAL C 79 59.820 -6.399 4.232 1.00 0.00 H new ATOM 0 HA VAL C 79 57.631 -6.299 5.915 1.00 0.00 H new ATOM 0 HB VAL C 79 60.572 -5.641 6.355 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.096 -5.942 8.770 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.185 -4.564 8.108 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.362 -6.113 8.408 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.589 -7.924 7.329 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.854 -8.091 6.967 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.031 -7.956 5.639 1.00 0.00 H new ATOM 1205 N MET C 80 58.970 -3.336 5.371 1.00 0.00 N ATOM 1206 CA MET C 80 58.737 -1.904 5.517 1.00 0.00 C ATOM 1207 C MET C 80 57.309 -1.550 5.116 1.00 0.00 C ATOM 1208 O MET C 80 56.806 -0.479 5.456 1.00 0.00 O ATOM 1209 CB MET C 80 59.722 -1.122 4.645 1.00 0.00 C ATOM 1210 CG MET C 80 60.166 0.142 5.384 1.00 0.00 C ATOM 1211 SD MET C 80 58.714 1.138 5.801 1.00 0.00 S ATOM 1212 CE MET C 80 59.343 1.815 7.357 1.00 0.00 C ATOM 0 H MET C 80 59.783 -3.579 4.805 1.00 0.00 H new ATOM 0 HA MET C 80 58.886 -1.636 6.563 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.587 -1.742 4.410 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.254 -0.856 3.697 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.709 -0.126 6.290 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.850 0.719 4.761 1.00 0.00 H new ATOM 0 HE1 MET C 80 58.593 2.473 7.797 1.00 0.00 H new ATOM 0 HE2 MET C 80 59.560 1.000 8.047 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.255 2.381 7.165 1.00 0.00 H new ATOM 1222 N MET C 81 56.661 -2.456 4.392 1.00 0.00 N ATOM 1223 CA MET C 81 55.290 -2.229 3.950 1.00 0.00 C ATOM 1224 C MET C 81 54.299 -2.785 4.967 1.00 0.00 C ATOM 1225 O MET C 81 53.338 -2.114 5.344 1.00 0.00 O ATOM 1226 CB MET C 81 55.060 -2.897 2.593 1.00 0.00 C ATOM 1227 CG MET C 81 55.959 -2.242 1.542 1.00 0.00 C ATOM 1228 SD MET C 81 55.465 -0.515 1.319 1.00 0.00 S ATOM 1229 CE MET C 81 56.928 0.238 2.074 1.00 0.00 C ATOM 0 H MET C 81 57.060 -3.348 4.100 1.00 0.00 H new ATOM 0 HA MET C 81 55.133 -1.154 3.857 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.277 -3.963 2.659 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.014 -2.802 2.302 1.00 0.00 H new ATOM 0 HG2 MET C 81 57.002 -2.296 1.855 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.882 -2.779 0.596 1.00 0.00 H new ATOM 0 HE1 MET C 81 57.140 1.189 1.586 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.744 0.407 3.135 1.00 0.00 H new ATOM 0 HE3 MET C 81 57.782 -0.429 1.956 1.00 0.00 H new ATOM 1239 N VAL C 82 54.540 -4.016 5.408 1.00 0.00 N ATOM 1240 CA VAL C 82 53.662 -4.653 6.383 1.00 0.00 C ATOM 1241 C VAL C 82 53.571 -3.813 7.652 1.00 0.00 C ATOM 1242 O VAL C 82 52.502 -3.685 8.249 1.00 0.00 O ATOM 1243 CB VAL C 82 54.188 -6.047 6.728 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.840 -6.667 5.491 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.226 -5.936 7.847 1.00 0.00 C ATOM 0 H VAL C 82 55.329 -4.588 5.108 1.00 0.00 H new ATOM 0 HA VAL C 82 52.667 -4.739 5.946 1.00 0.00 H new ATOM 0 HB VAL C 82 53.361 -6.676 7.057 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.215 -7.661 5.737 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.103 -6.745 4.692 1.00 0.00 H new ATOM 0 HG13 VAL C 82 55.667 -6.038 5.162 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.602 -6.929 8.094 1.00 0.00 H new ATOM 0 HG22 VAL C 82 56.052 -5.307 7.516 1.00 0.00 H new ATOM 0 HG23 VAL C 82 54.764 -5.493 8.729 1.00 0.00 H new ATOM 1255 N ARG C 83 54.700 -3.242 8.060 1.00 0.00 N ATOM 1256 CA ARG C 83 54.736 -2.415 9.261 1.00 0.00 C ATOM 1257 C ARG C 83 53.793 -1.224 9.121 1.00 0.00 C ATOM 1258 O ARG C 83 53.217 -0.757 10.103 1.00 0.00 O ATOM 1259 CB ARG C 83 56.160 -1.915 9.508 1.00 0.00 C ATOM 1260 CG ARG C 83 57.064 -3.099 9.858 1.00 0.00 C ATOM 1261 CD ARG C 83 58.456 -2.586 10.232 1.00 0.00 C ATOM 1262 NE ARG C 83 58.414 -1.908 11.522 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.439 -1.178 11.949 1.00 0.00 C ATOM 1264 NH1 ARG C 83 60.507 -1.059 11.209 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.378 -0.581 13.108 1.00 0.00 N ATOM 0 H ARG C 83 55.596 -3.336 7.581 1.00 0.00 H new ATOM 0 HA ARG C 83 54.412 -3.022 10.107 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.537 -1.406 8.621 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.166 -1.187 10.320 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.638 -3.663 10.688 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.132 -3.781 9.011 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.159 -3.418 10.273 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.817 -1.901 9.465 1.00 0.00 H new ATOM 0 HE ARG C 83 57.583 -1.996 12.107 1.00 0.00 H new ATOM 0 HH11 ARG C 83 60.555 -1.526 10.303 1.00 0.00 H new ATOM 0 HH12 ARG C 83 61.294 -0.499 11.536 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.543 -0.675 13.687 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.165 -0.021 13.435 1.00 0.00 H new ATOM 1279 N CYS C 84 53.642 -0.737 7.893 1.00 0.00 N ATOM 1280 CA CYS C 84 52.766 0.400 7.636 1.00 0.00 C ATOM 1281 C CYS C 84 51.523 -0.042 6.872 1.00 0.00 C ATOM 1282 O CYS C 84 51.070 0.643 5.954 1.00 0.00 O ATOM 1283 CB CYS C 84 53.514 1.463 6.828 1.00 0.00 C ATOM 1284 SG CYS C 84 53.873 0.820 5.175 1.00 0.00 S ATOM 0 H CYS C 84 54.111 -1.109 7.067 1.00 0.00 H new ATOM 0 HA CYS C 84 52.458 0.821 8.593 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.913 2.370 6.755 1.00 0.00 H new ATOM 0 HB3 CYS C 84 54.441 1.735 7.334 1.00 0.00 H new ATOM 0 HG CYS C 84 53.413 -0.391 5.071 1.00 0.00 H new ATOM 1290 N MET C 85 50.976 -1.191 7.255 1.00 0.00 N ATOM 1291 CA MET C 85 49.784 -1.715 6.598 1.00 0.00 C ATOM 1292 C MET C 85 48.646 -0.701 6.664 1.00 0.00 C ATOM 1293 O MET C 85 48.332 -0.041 5.674 1.00 0.00 O ATOM 1294 CB MET C 85 49.348 -3.019 7.269 1.00 0.00 C ATOM 1295 CG MET C 85 48.207 -3.649 6.468 1.00 0.00 C ATOM 1296 SD MET C 85 47.548 -5.071 7.373 1.00 0.00 S ATOM 1297 CE MET C 85 49.048 -6.083 7.328 1.00 0.00 C ATOM 0 H MET C 85 51.336 -1.773 8.011 1.00 0.00 H new ATOM 0 HA MET C 85 50.024 -1.907 5.552 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.190 -3.709 7.328 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.024 -2.824 8.291 1.00 0.00 H new ATOM 0 HG2 MET C 85 47.419 -2.915 6.299 1.00 0.00 H new ATOM 0 HG3 MET C 85 48.566 -3.963 5.488 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.780 -7.136 7.417 1.00 0.00 H new ATOM 0 HE2 MET C 85 49.569 -5.920 6.384 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.700 -5.804 8.155 1.00 0.00 H new ATOM 1307 N LYS C 86 48.032 -0.584 7.837 1.00 0.00 N ATOM 1308 CA LYS C 86 46.930 0.353 8.021 1.00 0.00 C ATOM 1309 C LYS C 86 47.089 1.117 9.332 1.00 0.00 C ATOM 1310 O LYS C 86 47.584 0.576 10.321 1.00 0.00 O ATOM 1311 CB LYS C 86 45.599 -0.401 8.026 1.00 0.00 C ATOM 1312 CG LYS C 86 45.572 -1.383 9.199 1.00 0.00 C ATOM 1313 CD LYS C 86 44.276 -2.195 9.157 1.00 0.00 C ATOM 1314 CE LYS C 86 44.492 -3.460 8.325 1.00 0.00 C ATOM 1315 NZ LYS C 86 45.466 -4.350 9.019 1.00 0.00 N ATOM 0 H LYS C 86 48.276 -1.122 8.668 1.00 0.00 H new ATOM 0 HA LYS C 86 46.941 1.065 7.195 1.00 0.00 H new ATOM 0 HB2 LYS C 86 44.771 0.303 8.108 1.00 0.00 H new ATOM 0 HB3 LYS C 86 45.469 -0.937 7.086 1.00 0.00 H new ATOM 0 HG2 LYS C 86 46.433 -2.050 9.148 1.00 0.00 H new ATOM 0 HG3 LYS C 86 45.643 -0.841 10.142 1.00 0.00 H new ATOM 0 HD2 LYS C 86 43.968 -2.461 10.168 1.00 0.00 H new ATOM 0 HD3 LYS C 86 43.473 -1.596 8.726 1.00 0.00 H new ATOM 0 HE2 LYS C 86 43.545 -3.981 8.182 1.00 0.00 H new ATOM 0 HE3 LYS C 86 44.864 -3.198 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 46.307 -4.477 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 45.746 -3.920 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 45.025 -5.275 9.198 1.00 0.00 H new ATOM 1329 N ASP C 87 46.666 2.377 9.332 1.00 0.00 N ATOM 1330 CA ASP C 87 46.766 3.206 10.527 1.00 0.00 C ATOM 1331 C ASP C 87 45.527 3.039 11.401 1.00 0.00 C ATOM 1332 O ASP C 87 44.411 3.337 10.976 1.00 0.00 O ATOM 1333 CB ASP C 87 46.920 4.676 10.132 1.00 0.00 C ATOM 1334 CG ASP C 87 47.254 5.514 11.361 1.00 0.00 C ATOM 1335 OD1 ASP C 87 48.422 5.582 11.708 1.00 0.00 O ATOM 1336 OD2 ASP C 87 46.338 6.076 11.938 1.00 0.00 O ATOM 0 H ASP C 87 46.254 2.843 8.524 1.00 0.00 H new ATOM 0 HA ASP C 87 47.641 2.889 11.094 1.00 0.00 H new ATOM 0 HB2 ASP C 87 47.708 4.780 9.386 1.00 0.00 H new ATOM 0 HB3 ASP C 87 45.998 5.037 9.675 1.00 0.00 H new ATOM 1341 N ASP C 88 45.731 2.561 12.624 1.00 0.00 N ATOM 1342 CA ASP C 88 44.623 2.358 13.549 1.00 0.00 C ATOM 1343 C ASP C 88 45.112 2.417 14.993 1.00 0.00 C ATOM 1344 O ASP C 88 44.615 1.695 15.857 1.00 0.00 O ATOM 1345 CB ASP C 88 43.964 1.002 13.287 1.00 0.00 C ATOM 1346 CG ASP C 88 42.709 0.858 14.140 1.00 0.00 C ATOM 1347 OD1 ASP C 88 42.315 1.839 14.750 1.00 0.00 O ATOM 1348 OD2 ASP C 88 42.159 -0.230 14.171 1.00 0.00 O ATOM 0 H ASP C 88 46.647 2.309 12.995 1.00 0.00 H new ATOM 0 HA ASP C 88 43.894 3.153 13.391 1.00 0.00 H new ATOM 0 HB2 ASP C 88 43.708 0.911 12.231 1.00 0.00 H new ATOM 0 HB3 ASP C 88 44.664 0.198 13.516 1.00 0.00 H new ATOM 1353 N SER C 89 46.088 3.283 15.247 1.00 0.00 N ATOM 1354 CA SER C 89 46.637 3.428 16.590 1.00 0.00 C ATOM 1355 C SER C 89 45.989 4.607 17.309 1.00 0.00 C ATOM 1356 O SER C 89 45.568 4.426 18.440 1.00 0.00 O ATOM 1357 CB SER C 89 48.149 3.642 16.516 1.00 0.00 C ATOM 1358 OG SER C 89 48.463 4.939 17.005 1.00 0.00 O ATOM 1359 OXT SER C 89 45.923 5.672 16.718 1.00 0.00 O ATOM 0 H SER C 89 46.512 3.891 14.546 1.00 0.00 H new ATOM 0 HA SER C 89 46.427 2.516 17.149 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.665 2.884 17.105 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.493 3.535 15.487 1.00 0.00 H new ATOM 0 HG SER C 89 49.432 5.080 16.960 1.00 0.00 H new ATOM 1430 N ASP I 119 50.103 3.581 2.234 1.00 0.00 N ATOM 1431 CA ASP I 119 48.931 4.091 1.531 1.00 0.00 C ATOM 1432 C ASP I 119 49.302 5.300 0.679 1.00 0.00 C ATOM 1433 O ASP I 119 48.881 5.412 -0.473 1.00 0.00 O ATOM 1434 CB ASP I 119 47.850 4.486 2.538 1.00 0.00 C ATOM 1435 CG ASP I 119 47.318 3.245 3.247 1.00 0.00 C ATOM 1436 OD1 ASP I 119 47.608 2.154 2.785 1.00 0.00 O ATOM 1437 OD2 ASP I 119 46.628 3.404 4.240 1.00 0.00 O ATOM 0 HA ASP I 119 48.550 3.305 0.879 1.00 0.00 H new ATOM 0 HB2 ASP I 119 48.259 5.184 3.268 1.00 0.00 H new ATOM 0 HB3 ASP I 119 47.036 5.000 2.027 1.00 0.00 H new ATOM 1442 N ALA I 120 50.092 6.202 1.252 1.00 0.00 N ATOM 1443 CA ALA I 120 50.513 7.400 0.534 1.00 0.00 C ATOM 1444 C ALA I 120 51.546 7.049 -0.532 1.00 0.00 C ATOM 1445 O ALA I 120 51.392 7.407 -1.700 1.00 0.00 O ATOM 1446 CB ALA I 120 51.111 8.412 1.513 1.00 0.00 C ATOM 0 H ALA I 120 50.451 6.128 2.204 1.00 0.00 H new ATOM 0 HA ALA I 120 49.640 7.837 0.049 1.00 0.00 H new ATOM 0 HB1 ALA I 120 51.423 9.304 0.969 1.00 0.00 H new ATOM 0 HB2 ALA I 120 50.363 8.684 2.257 1.00 0.00 H new ATOM 0 HB3 ALA I 120 51.974 7.970 2.011 1.00 0.00 H new ATOM 1452 N MET I 121 52.598 6.348 -0.122 1.00 0.00 N ATOM 1453 CA MET I 121 53.651 5.955 -1.052 1.00 0.00 C ATOM 1454 C MET I 121 53.069 5.147 -2.207 1.00 0.00 C ATOM 1455 O MET I 121 53.686 5.027 -3.266 1.00 0.00 O ATOM 1456 CB MET I 121 54.706 5.121 -0.323 1.00 0.00 C ATOM 1457 CG MET I 121 55.881 4.849 -1.264 1.00 0.00 C ATOM 1458 SD MET I 121 56.881 3.492 -0.604 1.00 0.00 S ATOM 1459 CE MET I 121 55.908 2.134 -1.298 1.00 0.00 C ATOM 0 H MET I 121 52.744 6.042 0.840 1.00 0.00 H new ATOM 0 HA MET I 121 54.114 6.857 -1.451 1.00 0.00 H new ATOM 0 HB2 MET I 121 55.052 5.649 0.565 1.00 0.00 H new ATOM 0 HB3 MET I 121 54.271 4.180 0.015 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.513 4.594 -2.258 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.491 5.746 -1.370 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.552 1.269 -1.458 1.00 0.00 H new ATOM 0 HE2 MET I 121 55.109 1.868 -0.606 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.476 2.445 -2.249 1.00 0.00 H new ATOM 1469 N LEU I 122 51.879 4.594 -1.997 1.00 0.00 N ATOM 1470 CA LEU I 122 51.223 3.799 -3.028 1.00 0.00 C ATOM 1471 C LEU I 122 50.409 4.694 -3.957 1.00 0.00 C ATOM 1472 O LEU I 122 50.166 4.347 -5.113 1.00 0.00 O ATOM 1473 CB LEU I 122 50.304 2.760 -2.382 1.00 0.00 C ATOM 1474 CG LEU I 122 51.083 1.465 -2.148 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.520 1.798 -1.742 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.412 0.663 -1.030 1.00 0.00 C ATOM 0 H LEU I 122 51.352 4.681 -1.128 1.00 0.00 H new ATOM 0 HA LEU I 122 51.991 3.291 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU I 122 49.916 3.140 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.445 2.569 -3.025 1.00 0.00 H new ATOM 0 HG LEU I 122 51.092 0.876 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.074 0.874 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU I 122 52.999 2.371 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.512 2.387 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU I 122 50.966 -0.261 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.404 1.253 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.388 0.425 -1.317 1.00 0.00 H new