USER MOD reduce.3.24.130724 H: found=0, std=0, add=1038, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -149:sc= -0.636 (180deg=-2.84!) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0761) USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.117 (180deg=-0.744) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -11.9! C(o=-12!,f=-9.4!) USER MOD Single : A 15 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.5!) USER MOD Single : A 16 ASN : amide:sc= -1.34! C(o=-1.3!,f=-1.2!) USER MOD Single : A 21 THR OG1 : rot 61:sc= -6! USER MOD Single : A 28 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.25) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.47! C(o=-3.5!,f=-9.3!) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.155) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0.0266 (180deg=-0.0273) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0345 (180deg=-0.651) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.28 K(o=-0.28,f=-3.2!) USER MOD Single : A 55 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.4) USER MOD Single : A 61 THR OG1 : rot 143:sc= 0.798 USER MOD Single : A 63 GLN : amide:sc= -0.626 K(o=-0.63,f=-0.11) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot -46:sc= 0.441 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -7.59! C(o=-7.6!,f=-3.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 97 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0.536) USER MOD Single : A 100 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.3) USER MOD Single : A 105 MET CE :methyl -153:sc= -5.05! (180deg=-5.66!) USER MOD Single : A 106 SER OG : rot -63:sc= 0.137 USER MOD Single : A 111 ASN : amide:sc= -0.401 K(o=-0.4,f=-4.1!) USER MOD Single : A 119 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.1!) USER MOD Single : A 125 LYS NZ :NH3+ -140:sc= -0.46 (180deg=-2.41!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.005 13.675 10.528 1.00 0.00 N ATOM 2 CA MET A 1 14.968 14.699 9.444 1.00 0.00 C ATOM 3 C MET A 1 15.463 14.075 8.137 1.00 0.00 C ATOM 4 O MET A 1 16.174 14.697 7.372 1.00 0.00 O ATOM 5 CB MET A 1 15.872 15.874 9.823 1.00 0.00 C ATOM 6 CG MET A 1 15.495 17.098 8.985 1.00 0.00 C ATOM 7 SD MET A 1 15.403 18.557 10.054 1.00 0.00 S ATOM 8 CE MET A 1 13.722 19.058 9.611 1.00 0.00 C ATOM 0 H1 MET A 1 14.783 14.125 11.439 1.00 0.00 H new ATOM 0 H2 MET A 1 14.304 12.933 10.329 1.00 0.00 H new ATOM 0 H3 MET A 1 15.954 13.251 10.573 1.00 0.00 H new ATOM 0 HA MET A 1 13.946 15.054 9.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.767 16.100 10.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.917 15.612 9.655 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.234 17.256 8.199 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.536 16.934 8.493 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.635 20.142 9.681 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.505 18.742 8.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.012 18.592 10.294 1.00 0.00 H new ATOM 20 N LYS A 2 15.094 12.851 7.872 1.00 0.00 N ATOM 21 CA LYS A 2 15.548 12.194 6.614 1.00 0.00 C ATOM 22 C LYS A 2 14.969 10.780 6.534 1.00 0.00 C ATOM 23 O LYS A 2 15.664 9.833 6.221 1.00 0.00 O ATOM 24 CB LYS A 2 17.076 12.122 6.600 1.00 0.00 C ATOM 25 CG LYS A 2 17.549 11.061 7.598 1.00 0.00 C ATOM 26 CD LYS A 2 18.942 11.426 8.113 1.00 0.00 C ATOM 27 CE LYS A 2 19.981 11.130 7.029 1.00 0.00 C ATOM 28 NZ LYS A 2 20.062 9.658 6.808 1.00 0.00 N ATOM 0 H LYS A 2 14.499 12.279 8.471 1.00 0.00 H new ATOM 0 HA LYS A 2 15.203 12.774 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.430 11.877 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.498 13.093 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.849 10.993 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.572 10.082 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.976 12.481 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.169 10.857 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.708 11.633 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.955 11.518 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.998 9.415 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.918 9.163 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.326 9.367 6.133 1.00 0.00 H new ATOM 42 N LYS A 3 13.703 10.626 6.809 1.00 0.00 N ATOM 43 CA LYS A 3 13.088 9.271 6.742 1.00 0.00 C ATOM 44 C LYS A 3 12.126 9.213 5.556 1.00 0.00 C ATOM 45 O LYS A 3 10.956 9.517 5.673 1.00 0.00 O ATOM 46 CB LYS A 3 12.324 8.988 8.034 1.00 0.00 C ATOM 47 CG LYS A 3 12.609 7.556 8.491 1.00 0.00 C ATOM 48 CD LYS A 3 11.516 7.096 9.458 1.00 0.00 C ATOM 49 CE LYS A 3 11.821 5.673 9.929 1.00 0.00 C ATOM 50 NZ LYS A 3 12.544 5.724 11.231 1.00 0.00 N ATOM 0 H LYS A 3 13.069 11.379 7.077 1.00 0.00 H new ATOM 0 HA LYS A 3 13.870 8.522 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.623 9.695 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.254 9.124 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.649 6.890 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.583 7.506 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.464 7.770 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.543 7.128 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.895 5.108 10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.426 5.154 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.751 4.756 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.435 6.248 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.951 6.203 11.939 1.00 0.00 H new ATOM 64 N LEU A 4 12.619 8.835 4.411 1.00 0.00 N ATOM 65 CA LEU A 4 11.745 8.766 3.203 1.00 0.00 C ATOM 66 C LEU A 4 11.623 7.327 2.712 1.00 0.00 C ATOM 67 O LEU A 4 12.231 6.413 3.233 1.00 0.00 O ATOM 68 CB LEU A 4 12.329 9.626 2.070 1.00 0.00 C ATOM 69 CG LEU A 4 13.420 10.552 2.613 1.00 0.00 C ATOM 70 CD1 LEU A 4 14.740 9.784 2.710 1.00 0.00 C ATOM 71 CD2 LEU A 4 13.595 11.743 1.667 1.00 0.00 C ATOM 0 H LEU A 4 13.592 8.570 4.257 1.00 0.00 H new ATOM 0 HA LEU A 4 10.760 9.142 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.742 8.983 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.538 10.217 1.608 1.00 0.00 H new ATOM 0 HG LEU A 4 13.133 10.910 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.517 10.443 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.618 8.934 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.027 9.427 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.372 12.403 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.882 11.384 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.656 12.291 1.595 1.00 0.00 H new ATOM 83 N GLN A 5 10.831 7.136 1.695 1.00 0.00 N ATOM 84 CA GLN A 5 10.636 5.781 1.122 1.00 0.00 C ATOM 85 C GLN A 5 10.106 4.821 2.187 1.00 0.00 C ATOM 86 O GLN A 5 10.685 4.660 3.243 1.00 0.00 O ATOM 87 CB GLN A 5 11.966 5.252 0.582 1.00 0.00 C ATOM 88 CG GLN A 5 12.786 6.410 0.012 1.00 0.00 C ATOM 89 CD GLN A 5 14.134 5.883 -0.483 1.00 0.00 C ATOM 90 OE1 GLN A 5 15.090 5.829 0.265 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.253 5.487 -1.721 1.00 0.00 N ATOM 0 H GLN A 5 10.303 7.875 1.231 1.00 0.00 H new ATOM 0 HA GLN A 5 9.910 5.848 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.522 4.757 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.785 4.506 -0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 5 12.245 6.884 -0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.939 7.172 0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.451 5.532 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.148 5.133 -2.059 1.00 0.00 H new ATOM 100 N ILE A 6 9.018 4.164 1.898 1.00 0.00 N ATOM 101 CA ILE A 6 8.446 3.189 2.864 1.00 0.00 C ATOM 102 C ILE A 6 8.187 1.883 2.109 1.00 0.00 C ATOM 103 O ILE A 6 8.389 1.803 0.913 1.00 0.00 O ATOM 104 CB ILE A 6 7.152 3.769 3.481 1.00 0.00 C ATOM 105 CG1 ILE A 6 7.343 3.900 4.994 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.939 2.867 3.203 1.00 0.00 C ATOM 107 CD1 ILE A 6 6.002 4.214 5.660 1.00 0.00 C ATOM 0 H ILE A 6 8.497 4.262 1.027 1.00 0.00 H new ATOM 0 HA ILE A 6 9.133 2.993 3.687 1.00 0.00 H new ATOM 0 HB ILE A 6 6.961 4.742 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.753 2.975 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.062 4.690 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.048 3.307 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.795 2.773 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.113 1.881 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.143 4.306 6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.610 5.151 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.296 3.409 5.454 1.00 0.00 H new ATOM 119 N ALA A 7 7.756 0.858 2.782 1.00 0.00 N ATOM 120 CA ALA A 7 7.509 -0.425 2.070 1.00 0.00 C ATOM 121 C ALA A 7 6.035 -0.808 2.166 1.00 0.00 C ATOM 122 O ALA A 7 5.657 -1.646 2.961 1.00 0.00 O ATOM 123 CB ALA A 7 8.356 -1.531 2.694 1.00 0.00 C ATOM 0 H ALA A 7 7.565 0.850 3.784 1.00 0.00 H new ATOM 0 HA ALA A 7 7.779 -0.300 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.173 -2.469 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.411 -1.271 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.090 -1.644 3.745 1.00 0.00 H new ATOM 129 N VAL A 8 5.196 -0.229 1.351 1.00 0.00 N ATOM 130 CA VAL A 8 3.758 -0.613 1.406 1.00 0.00 C ATOM 131 C VAL A 8 3.475 -1.590 0.271 1.00 0.00 C ATOM 132 O VAL A 8 4.049 -1.500 -0.794 1.00 0.00 O ATOM 133 CB VAL A 8 2.850 0.614 1.270 1.00 0.00 C ATOM 134 CG1 VAL A 8 3.241 1.431 0.048 1.00 0.00 C ATOM 135 CG2 VAL A 8 1.412 0.141 1.103 1.00 0.00 C ATOM 0 H VAL A 8 5.438 0.482 0.661 1.00 0.00 H new ATOM 0 HA VAL A 8 3.550 -1.076 2.371 1.00 0.00 H new ATOM 0 HB VAL A 8 2.952 1.234 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.586 2.299 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.274 1.764 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.143 0.817 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.754 1.004 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.334 -0.478 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.117 -0.443 1.975 1.00 0.00 H new ATOM 145 N GLY A 9 2.606 -2.534 0.491 1.00 0.00 N ATOM 146 CA GLY A 9 2.304 -3.520 -0.578 1.00 0.00 C ATOM 147 C GLY A 9 0.795 -3.619 -0.775 1.00 0.00 C ATOM 148 O GLY A 9 0.079 -4.134 0.061 1.00 0.00 O ATOM 0 H GLY A 9 2.093 -2.665 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.783 -3.219 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.710 -4.496 -0.311 1.00 0.00 H new ATOM 152 N ILE A 10 0.311 -3.142 -1.881 1.00 0.00 N ATOM 153 CA ILE A 10 -1.145 -3.220 -2.148 1.00 0.00 C ATOM 154 C ILE A 10 -1.413 -4.504 -2.925 1.00 0.00 C ATOM 155 O ILE A 10 -0.505 -5.138 -3.424 1.00 0.00 O ATOM 156 CB ILE A 10 -1.587 -2.018 -2.983 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.666 -0.827 -2.721 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.014 -1.626 -2.611 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.084 0.336 -3.615 1.00 0.00 C ATOM 0 H ILE A 10 0.864 -2.699 -2.615 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.699 -3.216 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.539 -2.292 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.721 -0.533 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.370 -1.102 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.324 -0.769 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.684 -2.464 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.056 -1.364 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.430 1.189 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.007 0.037 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.114 0.614 -3.392 1.00 0.00 H new ATOM 171 N ILE A 11 -2.644 -4.902 -3.022 1.00 0.00 N ATOM 172 CA ILE A 11 -2.958 -6.158 -3.756 1.00 0.00 C ATOM 173 C ILE A 11 -4.387 -6.069 -4.263 1.00 0.00 C ATOM 174 O ILE A 11 -5.224 -5.472 -3.637 1.00 0.00 O ATOM 175 CB ILE A 11 -2.811 -7.353 -2.805 1.00 0.00 C ATOM 176 CG1 ILE A 11 -1.902 -6.944 -1.644 1.00 0.00 C ATOM 177 CG2 ILE A 11 -2.195 -8.535 -3.555 1.00 0.00 C ATOM 178 CD1 ILE A 11 -1.715 -8.103 -0.669 1.00 0.00 C ATOM 0 H ILE A 11 -3.448 -4.415 -2.626 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.275 -6.291 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.788 -7.649 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.933 -6.627 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.333 -6.090 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.092 -9.382 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.840 -8.813 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.213 -8.253 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.065 -7.790 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.684 -8.401 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.262 -8.947 -1.189 1.00 0.00 H new ATOM 190 N ARG A 12 -4.665 -6.640 -5.398 1.00 0.00 N ATOM 191 CA ARG A 12 -6.049 -6.576 -5.949 1.00 0.00 C ATOM 192 C ARG A 12 -6.243 -7.663 -7.004 1.00 0.00 C ATOM 193 O ARG A 12 -6.226 -7.393 -8.188 1.00 0.00 O ATOM 194 CB ARG A 12 -6.278 -5.216 -6.598 1.00 0.00 C ATOM 195 CG ARG A 12 -7.724 -5.135 -7.094 1.00 0.00 C ATOM 196 CD ARG A 12 -7.913 -3.862 -7.922 1.00 0.00 C ATOM 197 NE ARG A 12 -7.289 -4.052 -9.263 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.574 -3.236 -10.242 1.00 0.00 C ATOM 199 NH1 ARG A 12 -8.319 -2.186 -10.026 1.00 0.00 N ATOM 200 NH2 ARG A 12 -7.111 -3.472 -11.440 1.00 0.00 N ATOM 0 H ARG A 12 -3.994 -7.150 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.758 -6.726 -5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.081 -4.419 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.587 -5.075 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.962 -6.011 -7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.410 -5.135 -6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.974 -3.638 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.458 -3.012 -7.413 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.638 -4.822 -9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.680 -2.001 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.540 -1.551 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.528 -4.292 -11.609 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.332 -2.836 -12.207 1.00 0.00 H new ATOM 214 N ASN A 13 -6.431 -8.883 -6.592 1.00 0.00 N ATOM 215 CA ASN A 13 -6.625 -9.975 -7.586 1.00 0.00 C ATOM 216 C ASN A 13 -7.298 -11.164 -6.912 1.00 0.00 C ATOM 217 O ASN A 13 -7.872 -11.039 -5.851 1.00 0.00 O ATOM 218 CB ASN A 13 -5.267 -10.414 -8.116 1.00 0.00 C ATOM 219 CG ASN A 13 -4.588 -9.236 -8.818 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.672 -9.106 -10.022 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.915 -8.364 -8.118 1.00 0.00 N ATOM 0 H ASN A 13 -6.459 -9.172 -5.614 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.249 -9.615 -8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.643 -10.771 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.387 -11.245 -8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.462 -7.577 -8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.842 -8.469 -7.106 1.00 0.00 H new ATOM 228 N GLU A 14 -7.220 -12.317 -7.519 1.00 0.00 N ATOM 229 CA GLU A 14 -7.846 -13.527 -6.920 1.00 0.00 C ATOM 230 C GLU A 14 -9.333 -13.277 -6.704 1.00 0.00 C ATOM 231 O GLU A 14 -10.160 -13.603 -7.531 1.00 0.00 O ATOM 232 CB GLU A 14 -7.175 -13.839 -5.581 1.00 0.00 C ATOM 233 CG GLU A 14 -6.337 -15.111 -5.714 1.00 0.00 C ATOM 234 CD GLU A 14 -7.259 -16.308 -5.958 1.00 0.00 C ATOM 235 OE1 GLU A 14 -8.458 -16.100 -6.044 1.00 0.00 O ATOM 236 OE2 GLU A 14 -6.748 -17.412 -6.054 1.00 0.00 O ATOM 0 H GLU A 14 -6.747 -12.472 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.718 -14.374 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.543 -13.005 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.930 -13.968 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.631 -15.009 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.751 -15.269 -4.809 1.00 0.00 H new ATOM 243 N ASN A 15 -9.674 -12.699 -5.597 1.00 0.00 N ATOM 244 CA ASN A 15 -11.112 -12.417 -5.314 1.00 0.00 C ATOM 245 C ASN A 15 -11.442 -10.987 -5.745 1.00 0.00 C ATOM 246 O ASN A 15 -12.320 -10.351 -5.197 1.00 0.00 O ATOM 247 CB ASN A 15 -11.390 -12.572 -3.817 1.00 0.00 C ATOM 248 CG ASN A 15 -12.891 -12.782 -3.599 1.00 0.00 C ATOM 249 OD1 ASN A 15 -13.655 -12.805 -4.543 1.00 0.00 O ATOM 250 ND2 ASN A 15 -13.349 -12.935 -2.387 1.00 0.00 N ATOM 0 H ASN A 15 -9.023 -12.406 -4.869 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.731 -13.122 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.831 -13.418 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.053 -11.686 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.348 -13.074 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.708 -12.916 -1.594 1.00 0.00 H new ATOM 257 N ASN A 16 -10.746 -10.482 -6.725 1.00 0.00 N ATOM 258 CA ASN A 16 -11.013 -9.096 -7.199 1.00 0.00 C ATOM 259 C ASN A 16 -11.227 -8.180 -5.991 1.00 0.00 C ATOM 260 O ASN A 16 -12.119 -7.354 -5.969 1.00 0.00 O ATOM 261 CB ASN A 16 -12.259 -9.098 -8.083 1.00 0.00 C ATOM 262 CG ASN A 16 -12.630 -7.662 -8.456 1.00 0.00 C ATOM 263 OD1 ASN A 16 -11.885 -6.987 -9.138 1.00 0.00 O ATOM 264 ND2 ASN A 16 -13.761 -7.163 -8.036 1.00 0.00 N ATOM 0 H ASN A 16 -10.001 -10.972 -7.220 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.164 -8.731 -7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.076 -9.682 -8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.088 -9.573 -7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.019 -6.207 -8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.387 -7.729 -7.463 1.00 0.00 H new ATOM 271 N GLU A 17 -10.406 -8.319 -4.991 1.00 0.00 N ATOM 272 CA GLU A 17 -10.536 -7.462 -3.781 1.00 0.00 C ATOM 273 C GLU A 17 -9.168 -6.863 -3.478 1.00 0.00 C ATOM 274 O GLU A 17 -8.151 -7.462 -3.768 1.00 0.00 O ATOM 275 CB GLU A 17 -10.997 -8.313 -2.596 1.00 0.00 C ATOM 276 CG GLU A 17 -12.319 -9.001 -2.943 1.00 0.00 C ATOM 277 CD GLU A 17 -13.308 -8.819 -1.791 1.00 0.00 C ATOM 278 OE1 GLU A 17 -13.701 -7.690 -1.546 1.00 0.00 O ATOM 279 OE2 GLU A 17 -13.656 -9.812 -1.172 1.00 0.00 O ATOM 0 H GLU A 17 -9.643 -8.995 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.267 -6.672 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.240 -9.059 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.122 -7.687 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.731 -8.579 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.151 -10.062 -3.128 1.00 0.00 H new ATOM 286 N ILE A 18 -9.111 -5.690 -2.915 1.00 0.00 N ATOM 287 CA ILE A 18 -7.775 -5.106 -2.638 1.00 0.00 C ATOM 288 C ILE A 18 -7.407 -5.277 -1.168 1.00 0.00 C ATOM 289 O ILE A 18 -8.256 -5.402 -0.307 1.00 0.00 O ATOM 290 CB ILE A 18 -7.754 -3.612 -2.978 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.639 -3.345 -4.199 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.314 -3.169 -3.281 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.913 -1.845 -4.310 1.00 0.00 C ATOM 0 H ILE A 18 -9.913 -5.122 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.052 -5.632 -3.261 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.135 -3.047 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.148 -3.704 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.578 -3.891 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.303 -2.106 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.687 -3.349 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.929 -3.737 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.543 -1.653 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.422 -1.501 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.970 -1.310 -4.421 1.00 0.00 H new ATOM 305 N PHE A 19 -6.137 -5.246 -0.880 1.00 0.00 N ATOM 306 CA PHE A 19 -5.683 -5.363 0.530 1.00 0.00 C ATOM 307 C PHE A 19 -5.445 -3.945 1.038 1.00 0.00 C ATOM 308 O PHE A 19 -4.329 -3.469 1.095 1.00 0.00 O ATOM 309 CB PHE A 19 -4.379 -6.171 0.600 1.00 0.00 C ATOM 310 CG PHE A 19 -4.019 -6.417 2.049 1.00 0.00 C ATOM 311 CD1 PHE A 19 -4.822 -7.250 2.838 1.00 0.00 C ATOM 312 CD2 PHE A 19 -2.898 -5.792 2.611 1.00 0.00 C ATOM 313 CE1 PHE A 19 -4.505 -7.461 4.184 1.00 0.00 C ATOM 314 CE2 PHE A 19 -2.584 -5.999 3.960 1.00 0.00 C ATOM 315 CZ PHE A 19 -3.389 -6.833 4.747 1.00 0.00 C ATOM 0 H PHE A 19 -5.390 -5.144 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.428 -5.877 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.497 -7.120 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.575 -5.630 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.688 -7.730 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.276 -5.151 2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.122 -8.109 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.721 -5.516 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.148 -6.991 5.788 1.00 0.00 H new ATOM 325 N ILE A 20 -6.497 -3.253 1.377 1.00 0.00 N ATOM 326 CA ILE A 20 -6.352 -1.853 1.844 1.00 0.00 C ATOM 327 C ILE A 20 -5.884 -1.831 3.284 1.00 0.00 C ATOM 328 O ILE A 20 -5.915 -2.822 3.976 1.00 0.00 O ATOM 329 CB ILE A 20 -7.710 -1.164 1.793 1.00 0.00 C ATOM 330 CG1 ILE A 20 -8.367 -1.413 0.439 1.00 0.00 C ATOM 331 CG2 ILE A 20 -7.521 0.336 2.006 1.00 0.00 C ATOM 332 CD1 ILE A 20 -7.646 -0.588 -0.619 1.00 0.00 C ATOM 0 H ILE A 20 -7.455 -3.602 1.349 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.630 -1.346 1.204 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.351 -1.567 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.321 -2.472 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.422 -1.140 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.490 0.834 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.059 0.510 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.878 0.737 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.108 -0.759 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.715 0.470 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.598 -0.884 -0.659 1.00 0.00 H new ATOM 344 N THR A 21 -5.470 -0.694 3.742 1.00 0.00 N ATOM 345 CA THR A 21 -5.026 -0.591 5.155 1.00 0.00 C ATOM 346 C THR A 21 -5.767 0.571 5.823 1.00 0.00 C ATOM 347 O THR A 21 -5.973 1.610 5.228 1.00 0.00 O ATOM 348 CB THR A 21 -3.525 -0.342 5.211 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.016 -0.220 3.892 1.00 0.00 O ATOM 350 CG2 THR A 21 -2.835 -1.506 5.925 1.00 0.00 C ATOM 0 H THR A 21 -5.418 0.170 3.203 1.00 0.00 H new ATOM 0 HA THR A 21 -5.247 -1.522 5.677 1.00 0.00 H new ATOM 0 HB THR A 21 -3.331 0.579 5.760 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.444 0.540 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.761 -1.324 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.225 -1.593 6.939 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.027 -2.431 5.382 1.00 0.00 H new ATOM 358 N ARG A 22 -6.181 0.404 7.051 1.00 0.00 N ATOM 359 CA ARG A 22 -6.913 1.490 7.741 1.00 0.00 C ATOM 360 C ARG A 22 -6.557 1.479 9.226 1.00 0.00 C ATOM 361 O ARG A 22 -6.344 0.438 9.815 1.00 0.00 O ATOM 362 CB ARG A 22 -8.411 1.262 7.577 1.00 0.00 C ATOM 363 CG ARG A 22 -9.045 2.544 7.059 1.00 0.00 C ATOM 364 CD ARG A 22 -10.448 2.256 6.517 1.00 0.00 C ATOM 365 NE ARG A 22 -11.147 1.294 7.420 1.00 0.00 N ATOM 366 CZ ARG A 22 -12.437 1.108 7.312 1.00 0.00 C ATOM 367 NH1 ARG A 22 -13.160 1.911 6.578 1.00 0.00 N ATOM 368 NH2 ARG A 22 -13.003 0.114 7.939 1.00 0.00 N ATOM 0 H ARG A 22 -6.040 -0.443 7.602 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.637 2.452 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.595 0.442 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.857 0.978 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.101 3.281 7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.424 2.974 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.018 3.182 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.382 1.843 5.510 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.617 0.780 8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.719 2.688 6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.166 1.761 6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.440 -0.515 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.009 -0.034 7.857 1.00 0.00 H new ATOM 382 N ARG A 23 -6.482 2.628 9.835 1.00 0.00 N ATOM 383 CA ARG A 23 -6.135 2.695 11.255 1.00 0.00 C ATOM 384 C ARG A 23 -7.211 2.022 12.105 1.00 0.00 C ATOM 385 O ARG A 23 -8.307 2.524 12.262 1.00 0.00 O ATOM 386 CB ARG A 23 -6.032 4.160 11.617 1.00 0.00 C ATOM 387 CG ARG A 23 -4.652 4.421 12.188 1.00 0.00 C ATOM 388 CD ARG A 23 -4.429 3.539 13.418 1.00 0.00 C ATOM 389 NE ARG A 23 -5.525 3.773 14.405 1.00 0.00 N ATOM 390 CZ ARG A 23 -6.025 4.970 14.557 1.00 0.00 C ATOM 391 NH1 ARG A 23 -5.230 6.000 14.656 1.00 0.00 N ATOM 392 NH2 ARG A 23 -7.319 5.138 14.609 1.00 0.00 N ATOM 0 H ARG A 23 -6.651 3.530 9.390 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.195 2.176 11.443 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.201 4.780 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.799 4.425 12.345 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.891 4.212 11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.553 5.472 12.459 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.406 2.489 13.126 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.463 3.765 13.870 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.884 2.997 14.961 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.219 5.870 14.615 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.619 6.935 14.775 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.941 4.334 14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.707 6.074 14.728 1.00 0.00 H new ATOM 406 N ALA A 24 -6.891 0.892 12.661 1.00 0.00 N ATOM 407 CA ALA A 24 -7.871 0.162 13.522 1.00 0.00 C ATOM 408 C ALA A 24 -8.875 -0.593 12.649 1.00 0.00 C ATOM 409 O ALA A 24 -9.692 -1.347 13.139 1.00 0.00 O ATOM 410 CB ALA A 24 -8.615 1.162 14.413 1.00 0.00 C ATOM 0 H ALA A 24 -5.985 0.434 12.558 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.334 -0.553 14.146 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.329 0.629 15.040 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.900 1.689 15.045 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.146 1.881 13.789 1.00 0.00 H new ATOM 416 N ALA A 25 -8.819 -0.405 11.361 1.00 0.00 N ATOM 417 CA ALA A 25 -9.768 -1.120 10.461 1.00 0.00 C ATOM 418 C ALA A 25 -11.209 -0.767 10.845 1.00 0.00 C ATOM 419 O ALA A 25 -12.138 -1.484 10.529 1.00 0.00 O ATOM 420 CB ALA A 25 -9.558 -2.628 10.603 1.00 0.00 C ATOM 0 H ALA A 25 -8.157 0.213 10.891 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.587 -0.819 9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.250 -3.155 9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.534 -2.880 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.740 -2.925 11.636 1.00 0.00 H new ATOM 426 N ASP A 26 -11.404 0.334 11.518 1.00 0.00 N ATOM 427 CA ASP A 26 -12.786 0.730 11.915 1.00 0.00 C ATOM 428 C ASP A 26 -12.959 2.238 11.720 1.00 0.00 C ATOM 429 O ASP A 26 -12.005 2.990 11.757 1.00 0.00 O ATOM 430 CB ASP A 26 -13.019 0.375 13.386 1.00 0.00 C ATOM 431 CG ASP A 26 -14.424 -0.207 13.552 1.00 0.00 C ATOM 432 OD1 ASP A 26 -15.373 0.479 13.209 1.00 0.00 O ATOM 433 OD2 ASP A 26 -14.527 -1.329 14.020 1.00 0.00 O ATOM 0 H ASP A 26 -10.667 0.976 11.810 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.508 0.197 11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.273 -0.346 13.720 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.905 1.263 14.008 1.00 0.00 H new ATOM 438 N ALA A 27 -14.167 2.688 11.509 1.00 0.00 N ATOM 439 CA ALA A 27 -14.389 4.149 11.310 1.00 0.00 C ATOM 440 C ALA A 27 -15.690 4.576 11.998 1.00 0.00 C ATOM 441 O ALA A 27 -16.663 3.849 12.015 1.00 0.00 O ATOM 442 CB ALA A 27 -14.484 4.447 9.813 1.00 0.00 C ATOM 0 H ALA A 27 -15.006 2.110 11.466 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.556 4.702 11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.646 5.515 9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.557 4.149 9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -15.317 3.890 9.383 1.00 0.00 H new ATOM 448 N HIS A 28 -15.715 5.754 12.563 1.00 0.00 N ATOM 449 CA HIS A 28 -16.950 6.231 13.247 1.00 0.00 C ATOM 450 C HIS A 28 -17.670 7.247 12.356 1.00 0.00 C ATOM 451 O HIS A 28 -18.879 7.363 12.382 1.00 0.00 O ATOM 452 CB HIS A 28 -16.573 6.897 14.573 1.00 0.00 C ATOM 453 CG HIS A 28 -16.144 5.846 15.559 1.00 0.00 C ATOM 454 ND1 HIS A 28 -16.928 4.741 15.848 1.00 0.00 N ATOM 455 CD2 HIS A 28 -15.016 5.718 16.332 1.00 0.00 C ATOM 456 CE1 HIS A 28 -16.267 4.002 16.758 1.00 0.00 C ATOM 457 NE2 HIS A 28 -15.096 4.553 17.088 1.00 0.00 N ATOM 0 H HIS A 28 -14.931 6.407 12.580 1.00 0.00 H new ATOM 0 HA HIS A 28 -17.608 5.383 13.437 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -15.767 7.614 14.416 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -17.423 7.454 14.967 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -14.192 6.416 16.350 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -16.638 3.076 17.171 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.408 4.196 17.752 1.00 0.00 H new ATOM 465 N MET A 29 -16.936 7.985 11.570 1.00 0.00 N ATOM 466 CA MET A 29 -17.580 8.993 10.681 1.00 0.00 C ATOM 467 C MET A 29 -16.995 8.880 9.272 1.00 0.00 C ATOM 468 O MET A 29 -15.805 8.721 9.094 1.00 0.00 O ATOM 469 CB MET A 29 -17.320 10.398 11.232 1.00 0.00 C ATOM 470 CG MET A 29 -18.157 10.609 12.494 1.00 0.00 C ATOM 471 SD MET A 29 -18.751 12.318 12.545 1.00 0.00 S ATOM 472 CE MET A 29 -20.513 11.936 12.701 1.00 0.00 C ATOM 0 H MET A 29 -15.919 7.934 11.505 1.00 0.00 H new ATOM 0 HA MET A 29 -18.654 8.811 10.643 1.00 0.00 H new ATOM 0 HB2 MET A 29 -16.261 10.522 11.459 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.575 11.148 10.483 1.00 0.00 H new ATOM 0 HG2 MET A 29 -19.001 9.919 12.503 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.559 10.394 13.380 1.00 0.00 H new ATOM 0 HE1 MET A 29 -21.083 12.864 12.751 1.00 0.00 H new ATOM 0 HE2 MET A 29 -20.837 11.356 11.837 1.00 0.00 H new ATOM 0 HE3 MET A 29 -20.681 11.358 13.610 1.00 0.00 H new ATOM 482 N ALA A 30 -17.825 8.958 8.267 1.00 0.00 N ATOM 483 CA ALA A 30 -17.314 8.851 6.872 1.00 0.00 C ATOM 484 C ALA A 30 -16.399 7.631 6.761 1.00 0.00 C ATOM 485 O ALA A 30 -16.289 6.842 7.679 1.00 0.00 O ATOM 486 CB ALA A 30 -16.528 10.115 6.518 1.00 0.00 C ATOM 0 H ALA A 30 -18.833 9.091 8.352 1.00 0.00 H new ATOM 0 HA ALA A 30 -18.152 8.742 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.154 10.037 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.181 10.984 6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.689 10.226 7.204 1.00 0.00 H new ATOM 492 N ASN A 31 -15.744 7.466 5.645 1.00 0.00 N ATOM 493 CA ASN A 31 -14.840 6.292 5.482 1.00 0.00 C ATOM 494 C ASN A 31 -13.512 6.747 4.873 1.00 0.00 C ATOM 495 O ASN A 31 -13.457 7.186 3.741 1.00 0.00 O ATOM 496 CB ASN A 31 -15.497 5.268 4.556 1.00 0.00 C ATOM 497 CG ASN A 31 -16.905 4.947 5.060 1.00 0.00 C ATOM 498 OD1 ASN A 31 -17.655 5.837 5.410 1.00 0.00 O ATOM 499 ND2 ASN A 31 -17.298 3.704 5.111 1.00 0.00 N ATOM 0 H ASN A 31 -15.795 8.091 4.841 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.657 5.840 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.544 5.660 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.897 4.359 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.235 3.479 5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.668 2.958 4.817 1.00 0.00 H new ATOM 506 N LYS A 32 -12.444 6.644 5.612 1.00 0.00 N ATOM 507 CA LYS A 32 -11.122 7.067 5.073 1.00 0.00 C ATOM 508 C LYS A 32 -10.266 5.828 4.797 1.00 0.00 C ATOM 509 O LYS A 32 -10.193 4.920 5.602 1.00 0.00 O ATOM 510 CB LYS A 32 -10.416 7.962 6.092 1.00 0.00 C ATOM 511 CG LYS A 32 -10.004 7.130 7.307 1.00 0.00 C ATOM 512 CD LYS A 32 -8.538 6.716 7.167 1.00 0.00 C ATOM 513 CE LYS A 32 -8.031 6.179 8.506 1.00 0.00 C ATOM 514 NZ LYS A 32 -6.817 6.940 8.918 1.00 0.00 N ATOM 0 H LYS A 32 -12.429 6.285 6.567 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.267 7.622 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.538 8.423 5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.078 8.771 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.145 7.707 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.637 6.246 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.436 5.953 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.936 7.569 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.807 6.273 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.796 5.118 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.600 6.735 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.012 6.658 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.991 7.959 8.804 1.00 0.00 H new ATOM 528 N LEU A 33 -9.620 5.785 3.666 1.00 0.00 N ATOM 529 CA LEU A 33 -8.773 4.618 3.327 1.00 0.00 C ATOM 530 C LEU A 33 -7.308 5.000 3.497 1.00 0.00 C ATOM 531 O LEU A 33 -6.987 6.096 3.908 1.00 0.00 O ATOM 532 CB LEU A 33 -9.020 4.237 1.869 1.00 0.00 C ATOM 533 CG LEU A 33 -10.375 3.520 1.675 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.152 2.227 0.892 1.00 0.00 C ATOM 535 CD2 LEU A 33 -11.024 3.173 3.021 1.00 0.00 C ATOM 0 H LEU A 33 -9.646 6.518 2.957 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.015 3.779 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.994 5.135 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.215 3.589 1.523 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.039 4.193 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.105 1.717 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.720 2.461 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.472 1.579 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.975 2.670 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.363 2.515 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.196 4.088 3.589 1.00 0.00 H new ATOM 547 N GLU A 34 -6.413 4.112 3.183 1.00 0.00 N ATOM 548 CA GLU A 34 -4.979 4.442 3.326 1.00 0.00 C ATOM 549 C GLU A 34 -4.136 3.470 2.514 1.00 0.00 C ATOM 550 O GLU A 34 -4.589 2.863 1.564 1.00 0.00 O ATOM 551 CB GLU A 34 -4.579 4.345 4.793 1.00 0.00 C ATOM 552 CG GLU A 34 -3.675 5.523 5.159 1.00 0.00 C ATOM 553 CD GLU A 34 -3.709 5.740 6.671 1.00 0.00 C ATOM 554 OE1 GLU A 34 -4.426 5.012 7.338 1.00 0.00 O ATOM 555 OE2 GLU A 34 -3.020 6.631 7.138 1.00 0.00 O ATOM 0 H GLU A 34 -6.614 3.175 2.835 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.811 5.456 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.468 4.347 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.060 3.405 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.654 5.327 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.007 6.424 4.644 1.00 0.00 H new ATOM 562 N PHE A 35 -2.910 3.319 2.904 1.00 0.00 N ATOM 563 CA PHE A 35 -1.996 2.384 2.196 1.00 0.00 C ATOM 564 C PHE A 35 -1.104 1.695 3.234 1.00 0.00 C ATOM 565 O PHE A 35 -0.682 2.317 4.189 1.00 0.00 O ATOM 566 CB PHE A 35 -1.127 3.166 1.208 1.00 0.00 C ATOM 567 CG PHE A 35 -1.919 3.452 -0.045 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.492 2.397 -0.765 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.082 4.770 -0.487 1.00 0.00 C ATOM 570 CE1 PHE A 35 -3.227 2.660 -1.927 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.818 5.034 -1.649 1.00 0.00 C ATOM 572 CZ PHE A 35 -3.390 3.979 -2.369 1.00 0.00 C ATOM 0 H PHE A 35 -2.492 3.809 3.695 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.573 1.640 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.794 4.100 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.232 2.594 0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.367 1.380 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.640 5.584 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.668 1.846 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.944 6.051 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.957 4.182 -3.265 1.00 0.00 H new ATOM 582 N PRO A 36 -0.847 0.429 3.024 1.00 0.00 N ATOM 583 CA PRO A 36 -0.011 -0.358 3.946 1.00 0.00 C ATOM 584 C PRO A 36 1.372 0.291 4.087 1.00 0.00 C ATOM 585 O PRO A 36 1.511 1.492 3.976 1.00 0.00 O ATOM 586 CB PRO A 36 0.083 -1.747 3.299 1.00 0.00 C ATOM 587 CG PRO A 36 -0.776 -1.726 2.007 1.00 0.00 C ATOM 588 CD PRO A 36 -1.360 -0.313 1.858 1.00 0.00 C ATOM 0 HA PRO A 36 -0.427 -0.413 4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.119 -1.990 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.277 -2.513 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.168 -1.982 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.574 -2.466 2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.043 0.150 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.450 -0.334 1.850 1.00 0.00 H new ATOM 596 N GLY A 37 2.391 -0.485 4.336 1.00 0.00 N ATOM 597 CA GLY A 37 3.750 0.111 4.490 1.00 0.00 C ATOM 598 C GLY A 37 4.579 -0.718 5.473 1.00 0.00 C ATOM 599 O GLY A 37 4.418 -1.917 5.584 1.00 0.00 O ATOM 0 H GLY A 37 2.343 -1.499 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.250 0.150 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.667 1.137 4.847 1.00 0.00 H new ATOM 603 N GLY A 38 5.472 -0.082 6.182 1.00 0.00 N ATOM 604 CA GLY A 38 6.323 -0.819 7.156 1.00 0.00 C ATOM 605 C GLY A 38 7.714 -0.187 7.179 1.00 0.00 C ATOM 606 O GLY A 38 8.038 0.594 8.052 1.00 0.00 O ATOM 0 H GLY A 38 5.648 0.921 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.876 -0.782 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.392 -1.870 6.876 1.00 0.00 H new ATOM 610 N LYS A 39 8.536 -0.513 6.219 1.00 0.00 N ATOM 611 CA LYS A 39 9.903 0.074 6.178 1.00 0.00 C ATOM 612 C LYS A 39 10.675 -0.503 4.991 1.00 0.00 C ATOM 613 O LYS A 39 10.674 -1.696 4.756 1.00 0.00 O ATOM 614 CB LYS A 39 10.640 -0.257 7.477 1.00 0.00 C ATOM 615 CG LYS A 39 11.739 0.778 7.716 1.00 0.00 C ATOM 616 CD LYS A 39 12.153 0.753 9.189 1.00 0.00 C ATOM 617 CE LYS A 39 11.545 1.956 9.912 1.00 0.00 C ATOM 618 NZ LYS A 39 10.176 1.609 10.392 1.00 0.00 N ATOM 0 H LYS A 39 8.319 -1.161 5.462 1.00 0.00 H new ATOM 0 HA LYS A 39 9.828 1.156 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.941 -0.261 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.073 -1.256 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.599 0.563 7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.383 1.772 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.817 -0.173 9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.240 0.776 9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.175 2.244 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.500 2.813 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.796 2.396 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.555 1.437 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.221 0.752 10.980 1.00 0.00 H new ATOM 632 N ILE A 40 11.335 0.336 4.241 1.00 0.00 N ATOM 633 CA ILE A 40 12.109 -0.159 3.069 1.00 0.00 C ATOM 634 C ILE A 40 13.577 0.246 3.226 1.00 0.00 C ATOM 635 O ILE A 40 14.054 1.156 2.577 1.00 0.00 O ATOM 636 CB ILE A 40 11.540 0.456 1.789 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.344 -0.037 0.584 1.00 0.00 C ATOM 638 CG2 ILE A 40 11.628 1.981 1.871 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.783 0.591 -0.694 1.00 0.00 C ATOM 0 H ILE A 40 11.371 1.344 4.390 1.00 0.00 H new ATOM 0 HA ILE A 40 12.036 -1.245 3.012 1.00 0.00 H new ATOM 0 HB ILE A 40 10.497 0.158 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.395 0.228 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.294 -1.124 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.222 2.418 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.054 2.333 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.670 2.280 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.355 0.240 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.738 0.304 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.856 1.677 -0.628 1.00 0.00 H new ATOM 651 N GLU A 41 14.296 -0.419 4.090 1.00 0.00 N ATOM 652 CA GLU A 41 15.731 -0.070 4.294 1.00 0.00 C ATOM 653 C GLU A 41 16.614 -1.219 3.802 1.00 0.00 C ATOM 654 O GLU A 41 16.131 -2.226 3.324 1.00 0.00 O ATOM 655 CB GLU A 41 15.988 0.166 5.785 1.00 0.00 C ATOM 656 CG GLU A 41 14.853 1.009 6.376 1.00 0.00 C ATOM 657 CD GLU A 41 15.380 2.401 6.732 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.588 2.555 6.812 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.566 3.291 6.918 1.00 0.00 O ATOM 0 H GLU A 41 13.951 -1.189 4.663 1.00 0.00 H new ATOM 0 HA GLU A 41 15.968 0.834 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.056 -0.788 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.942 0.674 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.036 1.091 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.450 0.523 7.265 1.00 0.00 H new ATOM 666 N MET A 42 17.908 -1.075 3.915 1.00 0.00 N ATOM 667 CA MET A 42 18.820 -2.159 3.454 1.00 0.00 C ATOM 668 C MET A 42 18.344 -2.677 2.096 1.00 0.00 C ATOM 669 O MET A 42 17.640 -3.661 2.008 1.00 0.00 O ATOM 670 CB MET A 42 18.804 -3.303 4.470 1.00 0.00 C ATOM 671 CG MET A 42 20.215 -3.521 5.023 1.00 0.00 C ATOM 672 SD MET A 42 20.312 -5.154 5.800 1.00 0.00 S ATOM 673 CE MET A 42 19.135 -4.838 7.137 1.00 0.00 C ATOM 0 H MET A 42 18.371 -0.255 4.306 1.00 0.00 H new ATOM 0 HA MET A 42 19.834 -1.770 3.361 1.00 0.00 H new ATOM 0 HB2 MET A 42 18.116 -3.071 5.283 1.00 0.00 H new ATOM 0 HB3 MET A 42 18.443 -4.217 3.998 1.00 0.00 H new ATOM 0 HG2 MET A 42 20.948 -3.444 4.220 1.00 0.00 H new ATOM 0 HG3 MET A 42 20.456 -2.745 5.750 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.256 -5.592 7.914 1.00 0.00 H new ATOM 0 HE2 MET A 42 19.320 -3.850 7.558 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.119 -4.881 6.745 1.00 0.00 H new ATOM 683 N GLY A 43 18.722 -2.016 1.035 1.00 0.00 N ATOM 684 CA GLY A 43 18.290 -2.467 -0.318 1.00 0.00 C ATOM 685 C GLY A 43 18.626 -1.385 -1.345 1.00 0.00 C ATOM 686 O GLY A 43 18.229 -0.244 -1.211 1.00 0.00 O ATOM 0 H GLY A 43 19.311 -1.183 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.790 -3.400 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.219 -2.667 -0.322 1.00 0.00 H new ATOM 690 N GLU A 44 19.364 -1.728 -2.364 1.00 0.00 N ATOM 691 CA GLU A 44 19.733 -0.714 -3.389 1.00 0.00 C ATOM 692 C GLU A 44 18.697 -0.700 -4.515 1.00 0.00 C ATOM 693 O GLU A 44 18.691 0.184 -5.349 1.00 0.00 O ATOM 694 CB GLU A 44 21.104 -1.059 -3.969 1.00 0.00 C ATOM 695 CG GLU A 44 21.923 0.221 -4.127 1.00 0.00 C ATOM 696 CD GLU A 44 21.114 1.249 -4.922 1.00 0.00 C ATOM 697 OE1 GLU A 44 20.946 1.046 -6.114 1.00 0.00 O ATOM 698 OE2 GLU A 44 20.676 2.220 -4.328 1.00 0.00 O ATOM 0 H GLU A 44 19.727 -2.667 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 44 19.763 0.270 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 44 21.623 -1.758 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.989 -1.552 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 44 22.181 0.624 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 44 22.860 0.005 -4.640 1.00 0.00 H new ATOM 705 N THR A 45 17.819 -1.665 -4.554 1.00 0.00 N ATOM 706 CA THR A 45 16.799 -1.686 -5.628 1.00 0.00 C ATOM 707 C THR A 45 15.409 -1.760 -4.985 1.00 0.00 C ATOM 708 O THR A 45 15.247 -2.312 -3.914 1.00 0.00 O ATOM 709 CB THR A 45 17.073 -2.889 -6.552 1.00 0.00 C ATOM 710 OG1 THR A 45 17.827 -2.445 -7.673 1.00 0.00 O ATOM 711 CG2 THR A 45 15.768 -3.527 -7.048 1.00 0.00 C ATOM 0 H THR A 45 17.768 -2.436 -3.888 1.00 0.00 H new ATOM 0 HA THR A 45 16.844 -0.781 -6.234 1.00 0.00 H new ATOM 0 HB THR A 45 17.624 -3.639 -5.985 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.008 -3.203 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.000 -4.372 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.185 -3.874 -6.195 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.191 -2.789 -7.605 1.00 0.00 H new ATOM 719 N PRO A 46 14.453 -1.177 -5.660 1.00 0.00 N ATOM 720 CA PRO A 46 13.055 -1.127 -5.185 1.00 0.00 C ATOM 721 C PRO A 46 12.364 -2.500 -5.255 1.00 0.00 C ATOM 722 O PRO A 46 11.155 -2.587 -5.173 1.00 0.00 O ATOM 723 CB PRO A 46 12.363 -0.164 -6.155 1.00 0.00 C ATOM 724 CG PRO A 46 13.338 0.094 -7.330 1.00 0.00 C ATOM 725 CD PRO A 46 14.691 -0.505 -6.952 1.00 0.00 C ATOM 0 HA PRO A 46 13.007 -0.816 -4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.429 -0.592 -6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.111 0.770 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.961 -0.361 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.433 1.163 -7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.037 -1.210 -7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.455 0.267 -6.862 1.00 0.00 H new ATOM 733 N GLU A 47 13.094 -3.566 -5.413 1.00 0.00 N ATOM 734 CA GLU A 47 12.436 -4.900 -5.494 1.00 0.00 C ATOM 735 C GLU A 47 13.014 -5.826 -4.428 1.00 0.00 C ATOM 736 O GLU A 47 12.318 -6.292 -3.562 1.00 0.00 O ATOM 737 CB GLU A 47 12.687 -5.504 -6.874 1.00 0.00 C ATOM 738 CG GLU A 47 11.351 -5.710 -7.590 1.00 0.00 C ATOM 739 CD GLU A 47 11.588 -5.797 -9.098 1.00 0.00 C ATOM 740 OE1 GLU A 47 12.461 -5.097 -9.582 1.00 0.00 O ATOM 741 OE2 GLU A 47 10.891 -6.563 -9.743 1.00 0.00 O ATOM 0 H GLU A 47 14.111 -3.574 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 47 11.365 -4.784 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.328 -4.846 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.210 -6.455 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.872 -6.622 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.675 -4.886 -7.365 1.00 0.00 H new ATOM 748 N GLN A 48 14.284 -6.084 -4.490 1.00 0.00 N ATOM 749 CA GLN A 48 14.936 -6.971 -3.498 1.00 0.00 C ATOM 750 C GLN A 48 14.524 -6.558 -2.113 1.00 0.00 C ATOM 751 O GLN A 48 14.490 -7.333 -1.177 1.00 0.00 O ATOM 752 CB GLN A 48 16.437 -6.810 -3.635 1.00 0.00 C ATOM 753 CG GLN A 48 16.995 -8.100 -4.180 1.00 0.00 C ATOM 754 CD GLN A 48 18.419 -8.313 -3.662 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.862 -7.619 -2.768 1.00 0.00 O ATOM 756 NE2 GLN A 48 19.158 -9.251 -4.187 1.00 0.00 N ATOM 0 H GLN A 48 14.911 -5.709 -5.202 1.00 0.00 H new ATOM 0 HA GLN A 48 14.644 -8.007 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.672 -5.981 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.885 -6.579 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.362 -8.935 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.995 -8.074 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.786 -9.833 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.108 -9.402 -3.847 1.00 0.00 H new ATOM 765 N ALA A 49 14.237 -5.328 -1.988 1.00 0.00 N ATOM 766 CA ALA A 49 13.838 -4.795 -0.672 1.00 0.00 C ATOM 767 C ALA A 49 12.479 -5.371 -0.252 1.00 0.00 C ATOM 768 O ALA A 49 12.375 -6.112 0.706 1.00 0.00 O ATOM 769 CB ALA A 49 13.749 -3.269 -0.741 1.00 0.00 C ATOM 0 H ALA A 49 14.258 -4.645 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 49 14.586 -5.085 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.454 -2.877 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.721 -2.860 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.009 -2.981 -1.487 1.00 0.00 H new ATOM 775 N VAL A 50 11.437 -5.017 -0.949 1.00 0.00 N ATOM 776 CA VAL A 50 10.075 -5.512 -0.592 1.00 0.00 C ATOM 777 C VAL A 50 9.814 -6.900 -1.175 1.00 0.00 C ATOM 778 O VAL A 50 8.740 -7.447 -1.032 1.00 0.00 O ATOM 779 CB VAL A 50 9.054 -4.540 -1.148 1.00 0.00 C ATOM 780 CG1 VAL A 50 9.003 -4.672 -2.668 1.00 0.00 C ATOM 781 CG2 VAL A 50 7.684 -4.857 -0.571 1.00 0.00 C ATOM 0 H VAL A 50 11.469 -4.399 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 50 10.000 -5.583 0.493 1.00 0.00 H new ATOM 0 HB VAL A 50 9.337 -3.523 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.269 -3.973 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.984 -4.447 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.719 -5.690 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.950 -4.158 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.401 -5.874 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.717 -4.767 0.515 1.00 0.00 H new ATOM 791 N VAL A 51 10.779 -7.483 -1.813 1.00 0.00 N ATOM 792 CA VAL A 51 10.576 -8.835 -2.376 1.00 0.00 C ATOM 793 C VAL A 51 10.792 -9.790 -1.225 1.00 0.00 C ATOM 794 O VAL A 51 10.047 -10.720 -0.986 1.00 0.00 O ATOM 795 CB VAL A 51 11.600 -9.069 -3.488 1.00 0.00 C ATOM 796 CG1 VAL A 51 12.969 -9.366 -2.891 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.170 -10.246 -4.335 1.00 0.00 C ATOM 0 H VAL A 51 11.703 -7.080 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 51 9.585 -8.970 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 51 11.660 -8.170 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.688 -9.530 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.292 -8.521 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.909 -10.259 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.901 -10.411 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.103 -11.138 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.196 -10.039 -4.778 1.00 0.00 H new ATOM 807 N ARG A 52 11.816 -9.500 -0.494 1.00 0.00 N ATOM 808 CA ARG A 52 12.165 -10.281 0.699 1.00 0.00 C ATOM 809 C ARG A 52 11.102 -10.023 1.762 1.00 0.00 C ATOM 810 O ARG A 52 10.830 -10.863 2.590 1.00 0.00 O ATOM 811 CB ARG A 52 13.520 -9.794 1.202 1.00 0.00 C ATOM 812 CG ARG A 52 14.582 -10.864 0.954 1.00 0.00 C ATOM 813 CD ARG A 52 14.152 -12.188 1.591 1.00 0.00 C ATOM 814 NE ARG A 52 15.339 -13.079 1.740 1.00 0.00 N ATOM 815 CZ ARG A 52 16.296 -13.052 0.848 1.00 0.00 C ATOM 816 NH1 ARG A 52 16.012 -13.207 -0.417 1.00 0.00 N ATOM 817 NH2 ARG A 52 17.531 -12.859 1.220 1.00 0.00 N ATOM 0 H ARG A 52 12.448 -8.722 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 52 12.213 -11.347 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.796 -8.870 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.462 -9.566 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.731 -10.998 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.537 -10.544 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.698 -12.004 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.396 -12.672 0.973 1.00 0.00 H new ATOM 0 HE ARG A 52 15.405 -13.710 2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.045 -13.349 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.757 -13.186 -1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.752 -12.729 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.276 -12.838 0.524 1.00 0.00 H new ATOM 831 N GLU A 53 10.492 -8.858 1.747 1.00 0.00 N ATOM 832 CA GLU A 53 9.443 -8.570 2.766 1.00 0.00 C ATOM 833 C GLU A 53 8.207 -9.422 2.468 1.00 0.00 C ATOM 834 O GLU A 53 7.403 -9.692 3.337 1.00 0.00 O ATOM 835 CB GLU A 53 9.071 -7.084 2.714 1.00 0.00 C ATOM 836 CG GLU A 53 10.286 -6.241 3.108 1.00 0.00 C ATOM 837 CD GLU A 53 9.842 -4.805 3.389 1.00 0.00 C ATOM 838 OE1 GLU A 53 8.838 -4.395 2.829 1.00 0.00 O ATOM 839 OE2 GLU A 53 10.514 -4.138 4.159 1.00 0.00 O ATOM 0 H GLU A 53 10.676 -8.108 1.081 1.00 0.00 H new ATOM 0 HA GLU A 53 9.821 -8.809 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.739 -6.816 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.240 -6.882 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.764 -6.664 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.026 -6.254 2.308 1.00 0.00 H new ATOM 846 N LEU A 54 8.054 -9.855 1.245 1.00 0.00 N ATOM 847 CA LEU A 54 6.876 -10.694 0.891 1.00 0.00 C ATOM 848 C LEU A 54 6.933 -12.007 1.671 1.00 0.00 C ATOM 849 O LEU A 54 5.965 -12.427 2.270 1.00 0.00 O ATOM 850 CB LEU A 54 6.874 -10.974 -0.614 1.00 0.00 C ATOM 851 CG LEU A 54 5.744 -10.172 -1.267 1.00 0.00 C ATOM 852 CD1 LEU A 54 5.717 -10.444 -2.770 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.403 -10.588 -0.655 1.00 0.00 C ATOM 0 H LEU A 54 8.696 -9.663 0.476 1.00 0.00 H new ATOM 0 HA LEU A 54 5.960 -10.164 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.834 -10.697 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.736 -12.039 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 54 5.914 -9.109 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.911 -9.871 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.669 -10.148 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.551 -11.507 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.599 -10.018 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.239 -11.652 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.416 -10.391 0.417 1.00 0.00 H new ATOM 865 N GLN A 55 8.060 -12.658 1.674 1.00 0.00 N ATOM 866 CA GLN A 55 8.167 -13.939 2.427 1.00 0.00 C ATOM 867 C GLN A 55 8.409 -13.653 3.913 1.00 0.00 C ATOM 868 O GLN A 55 8.015 -14.417 4.771 1.00 0.00 O ATOM 869 CB GLN A 55 9.320 -14.779 1.869 1.00 0.00 C ATOM 870 CG GLN A 55 10.504 -13.872 1.525 1.00 0.00 C ATOM 871 CD GLN A 55 11.751 -14.726 1.300 1.00 0.00 C ATOM 872 OE1 GLN A 55 12.702 -14.644 2.051 1.00 0.00 O ATOM 873 NE2 GLN A 55 11.788 -15.549 0.288 1.00 0.00 N ATOM 0 H GLN A 55 8.908 -12.362 1.191 1.00 0.00 H new ATOM 0 HA GLN A 55 7.235 -14.493 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.624 -15.527 2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.992 -15.318 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.282 -13.290 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.678 -13.161 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.989 -15.618 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.616 -16.123 0.128 1.00 0.00 H new ATOM 882 N GLU A 56 9.068 -12.568 4.223 1.00 0.00 N ATOM 883 CA GLU A 56 9.347 -12.242 5.655 1.00 0.00 C ATOM 884 C GLU A 56 8.134 -11.571 6.313 1.00 0.00 C ATOM 885 O GLU A 56 8.284 -10.738 7.183 1.00 0.00 O ATOM 886 CB GLU A 56 10.547 -11.294 5.733 1.00 0.00 C ATOM 887 CG GLU A 56 11.759 -11.950 5.071 1.00 0.00 C ATOM 888 CD GLU A 56 12.547 -12.743 6.115 1.00 0.00 C ATOM 889 OE1 GLU A 56 11.926 -13.269 7.025 1.00 0.00 O ATOM 890 OE2 GLU A 56 13.759 -12.813 5.986 1.00 0.00 O ATOM 0 H GLU A 56 9.426 -11.893 3.548 1.00 0.00 H new ATOM 0 HA GLU A 56 9.561 -13.170 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.313 -10.353 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.771 -11.058 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.434 -12.610 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.396 -11.189 4.620 1.00 0.00 H new ATOM 897 N GLU A 57 6.936 -11.913 5.918 1.00 0.00 N ATOM 898 CA GLU A 57 5.745 -11.268 6.548 1.00 0.00 C ATOM 899 C GLU A 57 4.523 -12.187 6.422 1.00 0.00 C ATOM 900 O GLU A 57 3.920 -12.572 7.404 1.00 0.00 O ATOM 901 CB GLU A 57 5.460 -9.941 5.845 1.00 0.00 C ATOM 902 CG GLU A 57 6.275 -8.825 6.499 1.00 0.00 C ATOM 903 CD GLU A 57 5.913 -8.729 7.983 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.812 -9.125 8.330 1.00 0.00 O ATOM 905 OE2 GLU A 57 6.742 -8.262 8.746 1.00 0.00 O ATOM 0 H GLU A 57 6.731 -12.603 5.195 1.00 0.00 H new ATOM 0 HA GLU A 57 5.948 -11.090 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.713 -10.017 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.396 -9.709 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.341 -9.025 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.074 -7.875 6.003 1.00 0.00 H new ATOM 912 N VAL A 58 4.165 -12.549 5.221 1.00 0.00 N ATOM 913 CA VAL A 58 2.992 -13.456 5.020 1.00 0.00 C ATOM 914 C VAL A 58 3.512 -14.770 4.455 1.00 0.00 C ATOM 915 O VAL A 58 3.204 -15.842 4.936 1.00 0.00 O ATOM 916 CB VAL A 58 1.988 -12.869 4.007 1.00 0.00 C ATOM 917 CG1 VAL A 58 1.222 -11.690 4.602 1.00 0.00 C ATOM 918 CG2 VAL A 58 2.715 -12.395 2.750 1.00 0.00 C ATOM 0 H VAL A 58 4.635 -12.256 4.364 1.00 0.00 H new ATOM 0 HA VAL A 58 2.485 -13.588 5.976 1.00 0.00 H new ATOM 0 HB VAL A 58 1.283 -13.661 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.523 -11.300 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.671 -12.021 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.924 -10.906 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.993 -11.984 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.440 -11.626 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.232 -13.237 2.290 1.00 0.00 H new ATOM 928 N GLY A 59 4.308 -14.680 3.432 1.00 0.00 N ATOM 929 CA GLY A 59 4.875 -15.892 2.809 1.00 0.00 C ATOM 930 C GLY A 59 3.973 -16.356 1.665 1.00 0.00 C ATOM 931 O GLY A 59 3.797 -17.536 1.439 1.00 0.00 O ATOM 0 H GLY A 59 4.592 -13.802 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.877 -15.684 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.971 -16.683 3.552 1.00 0.00 H new ATOM 935 N ILE A 60 3.417 -15.434 0.929 1.00 0.00 N ATOM 936 CA ILE A 60 2.548 -15.831 -0.217 1.00 0.00 C ATOM 937 C ILE A 60 3.445 -16.206 -1.388 1.00 0.00 C ATOM 938 O ILE A 60 4.646 -16.032 -1.344 1.00 0.00 O ATOM 939 CB ILE A 60 1.620 -14.682 -0.672 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.175 -13.308 -0.276 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.239 -14.854 -0.046 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.804 -12.285 -1.346 1.00 0.00 C ATOM 0 H ILE A 60 3.525 -14.429 1.069 1.00 0.00 H new ATOM 0 HA ILE A 60 1.924 -16.664 0.106 1.00 0.00 H new ATOM 0 HB ILE A 60 1.555 -14.727 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.770 -13.004 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.258 -13.359 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.411 -14.041 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.187 -15.807 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.327 -14.837 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.197 -11.308 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.230 -12.588 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.719 -12.228 -1.434 1.00 0.00 H new ATOM 954 N THR A 61 2.873 -16.683 -2.451 1.00 0.00 N ATOM 955 CA THR A 61 3.697 -17.022 -3.632 1.00 0.00 C ATOM 956 C THR A 61 3.272 -16.084 -4.750 1.00 0.00 C ATOM 957 O THR A 61 2.348 -16.371 -5.485 1.00 0.00 O ATOM 958 CB THR A 61 3.476 -18.468 -4.060 1.00 0.00 C ATOM 959 OG1 THR A 61 3.511 -19.313 -2.918 1.00 0.00 O ATOM 960 CG2 THR A 61 4.584 -18.863 -5.032 1.00 0.00 C ATOM 0 H THR A 61 1.872 -16.852 -2.552 1.00 0.00 H new ATOM 0 HA THR A 61 4.756 -16.911 -3.397 1.00 0.00 H new ATOM 0 HB THR A 61 2.505 -18.571 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.853 -20.031 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.440 -19.896 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.553 -18.209 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.552 -18.766 -4.540 1.00 0.00 H new ATOM 968 N PRO A 62 3.932 -14.964 -4.816 1.00 0.00 N ATOM 969 CA PRO A 62 3.606 -13.934 -5.802 1.00 0.00 C ATOM 970 C PRO A 62 3.781 -14.484 -7.211 1.00 0.00 C ATOM 971 O PRO A 62 4.833 -14.965 -7.584 1.00 0.00 O ATOM 972 CB PRO A 62 4.576 -12.794 -5.509 1.00 0.00 C ATOM 973 CG PRO A 62 5.577 -13.295 -4.439 1.00 0.00 C ATOM 974 CD PRO A 62 5.064 -14.643 -3.929 1.00 0.00 C ATOM 0 HA PRO A 62 2.572 -13.596 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.102 -12.496 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.038 -11.917 -5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.574 -13.400 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.654 -12.579 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.839 -15.408 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.747 -14.580 -2.888 1.00 0.00 H new ATOM 982 N GLN A 63 2.739 -14.433 -7.984 1.00 0.00 N ATOM 983 CA GLN A 63 2.801 -14.966 -9.365 1.00 0.00 C ATOM 984 C GLN A 63 3.316 -13.882 -10.316 1.00 0.00 C ATOM 985 O GLN A 63 4.008 -14.166 -11.273 1.00 0.00 O ATOM 986 CB GLN A 63 1.396 -15.403 -9.781 1.00 0.00 C ATOM 987 CG GLN A 63 0.656 -15.969 -8.560 1.00 0.00 C ATOM 988 CD GLN A 63 -0.428 -16.941 -9.032 1.00 0.00 C ATOM 989 OE1 GLN A 63 -1.554 -16.879 -8.581 1.00 0.00 O ATOM 990 NE2 GLN A 63 -0.132 -17.843 -9.928 1.00 0.00 N ATOM 0 H GLN A 63 1.837 -14.040 -7.714 1.00 0.00 H new ATOM 0 HA GLN A 63 3.481 -15.817 -9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.847 -14.556 -10.193 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.455 -16.157 -10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.357 -16.480 -7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.209 -15.159 -7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.814 -17.895 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.846 -18.496 -10.250 1.00 0.00 H new ATOM 999 N HIS A 64 2.985 -12.645 -10.065 1.00 0.00 N ATOM 1000 CA HIS A 64 3.457 -11.558 -10.964 1.00 0.00 C ATOM 1001 C HIS A 64 3.021 -10.194 -10.423 1.00 0.00 C ATOM 1002 O HIS A 64 1.913 -9.758 -10.654 1.00 0.00 O ATOM 1003 CB HIS A 64 2.840 -11.768 -12.344 1.00 0.00 C ATOM 1004 CG HIS A 64 3.491 -10.847 -13.340 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.665 -11.178 -14.000 1.00 0.00 N ATOM 1006 CD2 HIS A 64 3.137 -9.604 -13.805 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.972 -10.156 -14.820 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.073 -9.170 -14.739 1.00 0.00 N ATOM 0 H HIS A 64 2.410 -12.342 -9.279 1.00 0.00 H new ATOM 0 HA HIS A 64 4.545 -11.583 -11.022 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.968 -12.805 -12.656 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.768 -11.577 -12.306 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.265 -9.048 -13.493 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.838 -10.135 -15.464 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.073 -8.288 -15.252 1.00 0.00 H new ATOM 1016 N PHE A 65 3.882 -9.503 -9.723 1.00 0.00 N ATOM 1017 CA PHE A 65 3.494 -8.160 -9.207 1.00 0.00 C ATOM 1018 C PHE A 65 4.300 -7.092 -9.929 1.00 0.00 C ATOM 1019 O PHE A 65 5.173 -7.384 -10.722 1.00 0.00 O ATOM 1020 CB PHE A 65 3.764 -8.047 -7.707 1.00 0.00 C ATOM 1021 CG PHE A 65 5.123 -8.617 -7.376 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.269 -7.832 -7.551 1.00 0.00 C ATOM 1023 CD2 PHE A 65 5.238 -9.922 -6.886 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.530 -8.352 -7.233 1.00 0.00 C ATOM 1025 CE2 PHE A 65 6.500 -10.443 -6.569 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.646 -9.657 -6.743 1.00 0.00 C ATOM 0 H PHE A 65 4.827 -9.807 -9.489 1.00 0.00 H new ATOM 0 HA PHE A 65 2.427 -8.022 -9.384 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.715 -7.002 -7.399 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.993 -8.580 -7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.181 -6.825 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.354 -10.528 -6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.413 -7.745 -7.366 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.589 -11.451 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.619 -10.058 -6.499 1.00 0.00 H new ATOM 1036 N SER A 66 4.015 -5.856 -9.657 1.00 0.00 N ATOM 1037 CA SER A 66 4.769 -4.762 -10.328 1.00 0.00 C ATOM 1038 C SER A 66 4.588 -3.462 -9.549 1.00 0.00 C ATOM 1039 O SER A 66 3.804 -3.383 -8.624 1.00 0.00 O ATOM 1040 CB SER A 66 4.244 -4.581 -11.752 1.00 0.00 C ATOM 1041 OG SER A 66 4.102 -5.855 -12.366 1.00 0.00 O ATOM 0 H SER A 66 3.295 -5.552 -9.001 1.00 0.00 H new ATOM 0 HA SER A 66 5.828 -5.019 -10.360 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.285 -4.064 -11.735 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.930 -3.961 -12.329 1.00 0.00 H new ATOM 0 HG SER A 66 4.902 -6.394 -12.191 1.00 0.00 H new ATOM 1047 N LEU A 67 5.294 -2.433 -9.926 1.00 0.00 N ATOM 1048 CA LEU A 67 5.142 -1.137 -9.214 1.00 0.00 C ATOM 1049 C LEU A 67 4.584 -0.097 -10.181 1.00 0.00 C ATOM 1050 O LEU A 67 5.223 0.281 -11.143 1.00 0.00 O ATOM 1051 CB LEU A 67 6.493 -0.660 -8.680 1.00 0.00 C ATOM 1052 CG LEU A 67 6.316 0.720 -8.041 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.040 0.560 -6.545 1.00 0.00 C ATOM 1054 CD2 LEU A 67 7.585 1.550 -8.245 1.00 0.00 C ATOM 0 H LEU A 67 5.966 -2.434 -10.693 1.00 0.00 H new ATOM 0 HA LEU A 67 4.460 -1.271 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.879 -1.368 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.221 -0.610 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 67 5.475 1.230 -8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.914 1.543 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.131 -0.024 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.878 0.047 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.455 2.531 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.430 1.043 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.775 1.668 -9.312 1.00 0.00 H new ATOM 1066 N PHE A 68 3.391 0.367 -9.936 1.00 0.00 N ATOM 1067 CA PHE A 68 2.786 1.372 -10.832 1.00 0.00 C ATOM 1068 C PHE A 68 3.450 2.726 -10.615 1.00 0.00 C ATOM 1069 O PHE A 68 3.933 3.352 -11.537 1.00 0.00 O ATOM 1070 CB PHE A 68 1.290 1.438 -10.533 1.00 0.00 C ATOM 1071 CG PHE A 68 0.953 2.392 -9.411 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.831 3.762 -9.671 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.728 1.902 -8.119 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.487 4.642 -8.636 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.377 2.780 -7.087 1.00 0.00 C ATOM 1076 CZ PHE A 68 0.258 4.150 -7.346 1.00 0.00 C ATOM 0 H PHE A 68 2.810 0.087 -9.146 1.00 0.00 H new ATOM 0 HA PHE A 68 2.934 1.095 -11.876 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.758 1.744 -11.434 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.933 0.441 -10.274 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.002 4.140 -10.668 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.825 0.845 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.399 5.700 -8.834 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.198 2.400 -6.092 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.011 4.828 -6.550 1.00 0.00 H new ATOM 1086 N GLU A 69 3.480 3.175 -9.403 1.00 0.00 N ATOM 1087 CA GLU A 69 4.121 4.492 -9.116 1.00 0.00 C ATOM 1088 C GLU A 69 3.954 4.845 -7.637 1.00 0.00 C ATOM 1089 O GLU A 69 2.994 4.461 -7.001 1.00 0.00 O ATOM 1090 CB GLU A 69 3.470 5.575 -9.980 1.00 0.00 C ATOM 1091 CG GLU A 69 4.406 5.938 -11.137 1.00 0.00 C ATOM 1092 CD GLU A 69 5.146 7.236 -10.806 1.00 0.00 C ATOM 1093 OE1 GLU A 69 4.516 8.133 -10.270 1.00 0.00 O ATOM 1094 OE2 GLU A 69 6.329 7.309 -11.095 1.00 0.00 O ATOM 0 H GLU A 69 3.091 2.694 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 69 5.184 4.430 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.515 5.220 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.260 6.459 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.121 5.133 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.835 6.057 -12.058 1.00 0.00 H new ATOM 1101 N LYS A 70 4.892 5.567 -7.082 1.00 0.00 N ATOM 1102 CA LYS A 70 4.803 5.937 -5.651 1.00 0.00 C ATOM 1103 C LYS A 70 4.569 7.445 -5.516 1.00 0.00 C ATOM 1104 O LYS A 70 4.778 8.204 -6.441 1.00 0.00 O ATOM 1105 CB LYS A 70 6.112 5.562 -4.956 1.00 0.00 C ATOM 1106 CG LYS A 70 7.268 5.511 -5.963 1.00 0.00 C ATOM 1107 CD LYS A 70 8.542 5.041 -5.253 1.00 0.00 C ATOM 1108 CE LYS A 70 9.527 4.471 -6.278 1.00 0.00 C ATOM 1109 NZ LYS A 70 10.791 5.260 -6.241 1.00 0.00 N ATOM 0 H LYS A 70 5.719 5.915 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 70 3.971 5.404 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.336 6.289 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.005 4.593 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.023 4.833 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.426 6.496 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.000 5.874 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.296 4.282 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.733 3.423 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.092 4.507 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.461 4.874 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.587 6.254 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.208 5.203 -5.290 1.00 0.00 H new ATOM 1123 N LEU A 71 4.141 7.882 -4.361 1.00 0.00 N ATOM 1124 CA LEU A 71 3.898 9.338 -4.149 1.00 0.00 C ATOM 1125 C LEU A 71 4.898 9.869 -3.120 1.00 0.00 C ATOM 1126 O LEU A 71 5.883 9.228 -2.811 1.00 0.00 O ATOM 1127 CB LEU A 71 2.469 9.549 -3.636 1.00 0.00 C ATOM 1128 CG LEU A 71 2.109 8.454 -2.626 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.163 8.397 -1.519 1.00 0.00 C ATOM 1130 CD2 LEU A 71 0.745 8.764 -2.004 1.00 0.00 C ATOM 0 H LEU A 71 3.949 7.290 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 71 4.024 9.873 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.383 10.530 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.768 9.531 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 71 2.073 7.494 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.899 7.616 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.137 8.176 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.204 9.358 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.488 7.986 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.787 9.728 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.012 8.800 -2.787 1.00 0.00 H new ATOM 1142 N GLU A 72 4.652 11.031 -2.579 1.00 0.00 N ATOM 1143 CA GLU A 72 5.589 11.588 -1.566 1.00 0.00 C ATOM 1144 C GLU A 72 4.792 12.173 -0.398 1.00 0.00 C ATOM 1145 O GLU A 72 3.639 12.534 -0.534 1.00 0.00 O ATOM 1146 CB GLU A 72 6.445 12.682 -2.210 1.00 0.00 C ATOM 1147 CG GLU A 72 6.700 12.325 -3.676 1.00 0.00 C ATOM 1148 CD GLU A 72 7.381 13.499 -4.382 1.00 0.00 C ATOM 1149 OE1 GLU A 72 7.485 14.552 -3.775 1.00 0.00 O ATOM 1150 OE2 GLU A 72 7.789 13.326 -5.520 1.00 0.00 O ATOM 0 H GLU A 72 3.845 11.616 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 72 6.238 10.795 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.938 13.645 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.391 12.781 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.328 11.436 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.759 12.087 -4.171 1.00 0.00 H new ATOM 1157 N TYR A 73 5.401 12.264 0.749 1.00 0.00 N ATOM 1158 CA TYR A 73 4.696 12.818 1.942 1.00 0.00 C ATOM 1159 C TYR A 73 5.736 13.390 2.905 1.00 0.00 C ATOM 1160 O TYR A 73 6.153 12.740 3.842 1.00 0.00 O ATOM 1161 CB TYR A 73 3.918 11.698 2.638 1.00 0.00 C ATOM 1162 CG TYR A 73 2.650 12.254 3.241 1.00 0.00 C ATOM 1163 CD1 TYR A 73 2.598 13.585 3.672 1.00 0.00 C ATOM 1164 CD2 TYR A 73 1.523 11.432 3.371 1.00 0.00 C ATOM 1165 CE1 TYR A 73 1.420 14.094 4.232 1.00 0.00 C ATOM 1166 CE2 TYR A 73 0.345 11.941 3.930 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.293 13.271 4.361 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.869 13.773 4.913 1.00 0.00 O ATOM 0 H TYR A 73 6.365 11.976 0.915 1.00 0.00 H new ATOM 0 HA TYR A 73 4.003 13.601 1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.677 10.911 1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.533 11.244 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.467 14.219 3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.563 10.405 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.380 15.121 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.524 11.307 4.029 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.554 13.072 4.928 1.00 0.00 H new ATOM 1178 N GLU A 74 6.170 14.596 2.672 1.00 0.00 N ATOM 1179 CA GLU A 74 7.200 15.203 3.562 1.00 0.00 C ATOM 1180 C GLU A 74 6.555 16.208 4.510 1.00 0.00 C ATOM 1181 O GLU A 74 6.062 17.243 4.104 1.00 0.00 O ATOM 1182 CB GLU A 74 8.249 15.910 2.702 1.00 0.00 C ATOM 1183 CG GLU A 74 9.192 16.716 3.597 1.00 0.00 C ATOM 1184 CD GLU A 74 9.087 18.201 3.243 1.00 0.00 C ATOM 1185 OE1 GLU A 74 8.611 18.499 2.160 1.00 0.00 O ATOM 1186 OE2 GLU A 74 9.486 19.013 4.060 1.00 0.00 O ATOM 0 H GLU A 74 5.857 15.189 1.904 1.00 0.00 H new ATOM 0 HA GLU A 74 7.671 14.418 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.815 15.177 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.761 16.570 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.936 16.562 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.218 16.372 3.466 1.00 0.00 H new ATOM 1193 N PHE A 75 6.574 15.914 5.778 1.00 0.00 N ATOM 1194 CA PHE A 75 5.988 16.844 6.773 1.00 0.00 C ATOM 1195 C PHE A 75 7.015 17.935 7.075 1.00 0.00 C ATOM 1196 O PHE A 75 8.119 17.894 6.568 1.00 0.00 O ATOM 1197 CB PHE A 75 5.661 16.066 8.050 1.00 0.00 C ATOM 1198 CG PHE A 75 4.161 15.976 8.213 1.00 0.00 C ATOM 1199 CD1 PHE A 75 3.338 15.924 7.081 1.00 0.00 C ATOM 1200 CD2 PHE A 75 3.594 15.942 9.492 1.00 0.00 C ATOM 1201 CE1 PHE A 75 1.950 15.840 7.228 1.00 0.00 C ATOM 1202 CE2 PHE A 75 2.203 15.857 9.639 1.00 0.00 C ATOM 1203 CZ PHE A 75 1.382 15.806 8.506 1.00 0.00 C ATOM 0 H PHE A 75 6.974 15.061 6.169 1.00 0.00 H new ATOM 0 HA PHE A 75 5.074 17.296 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.093 15.067 8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.103 16.562 8.914 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.776 15.949 6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.228 15.981 10.365 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.316 15.801 6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.765 15.831 10.626 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.310 15.740 8.619 1.00 0.00 H new ATOM 1213 N PRO A 76 6.634 18.880 7.896 1.00 0.00 N ATOM 1214 CA PRO A 76 7.527 19.989 8.276 1.00 0.00 C ATOM 1215 C PRO A 76 8.755 19.481 9.053 1.00 0.00 C ATOM 1216 O PRO A 76 9.573 20.261 9.497 1.00 0.00 O ATOM 1217 CB PRO A 76 6.667 20.897 9.166 1.00 0.00 C ATOM 1218 CG PRO A 76 5.272 20.233 9.309 1.00 0.00 C ATOM 1219 CD PRO A 76 5.288 18.930 8.496 1.00 0.00 C ATOM 0 HA PRO A 76 7.917 20.509 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.132 21.025 10.144 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.575 21.889 8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.052 20.027 10.357 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.492 20.901 8.945 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.106 18.064 9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.513 18.932 7.730 1.00 0.00 H new ATOM 1227 N ASP A 77 8.896 18.191 9.234 1.00 0.00 N ATOM 1228 CA ASP A 77 10.069 17.682 9.989 1.00 0.00 C ATOM 1229 C ASP A 77 10.842 16.643 9.174 1.00 0.00 C ATOM 1230 O ASP A 77 12.037 16.756 8.984 1.00 0.00 O ATOM 1231 CB ASP A 77 9.598 17.048 11.299 1.00 0.00 C ATOM 1232 CG ASP A 77 10.738 17.077 12.319 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.614 16.234 12.222 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.716 17.942 13.179 1.00 0.00 O ATOM 0 H ASP A 77 8.252 17.478 8.892 1.00 0.00 H new ATOM 0 HA ASP A 77 10.732 18.522 10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.735 17.589 11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.279 16.021 11.124 1.00 0.00 H new ATOM 1239 N ARG A 78 10.183 15.619 8.726 1.00 0.00 N ATOM 1240 CA ARG A 78 10.881 14.555 7.965 1.00 0.00 C ATOM 1241 C ARG A 78 10.312 14.452 6.549 1.00 0.00 C ATOM 1242 O ARG A 78 9.418 15.182 6.172 1.00 0.00 O ATOM 1243 CB ARG A 78 10.683 13.221 8.688 1.00 0.00 C ATOM 1244 CG ARG A 78 9.559 13.330 9.729 1.00 0.00 C ATOM 1245 CD ARG A 78 9.271 11.948 10.320 1.00 0.00 C ATOM 1246 NE ARG A 78 8.736 12.091 11.707 1.00 0.00 N ATOM 1247 CZ ARG A 78 9.208 13.013 12.504 1.00 0.00 C ATOM 1248 NH1 ARG A 78 10.465 12.992 12.854 1.00 0.00 N ATOM 1249 NH2 ARG A 78 8.421 13.953 12.953 1.00 0.00 N ATOM 0 H ARG A 78 9.182 15.472 8.855 1.00 0.00 H new ATOM 0 HA ARG A 78 11.942 14.797 7.900 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.442 12.442 7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.611 12.925 9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.848 14.022 10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.659 13.734 9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.551 11.419 9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.183 11.351 10.332 1.00 0.00 H new ATOM 0 HE ARG A 78 7.999 11.466 12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.079 12.256 12.506 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.833 13.712 13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.438 13.968 12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.789 14.673 13.575 1.00 0.00 H new ATOM 1263 N HIS A 79 10.827 13.542 5.762 1.00 0.00 N ATOM 1264 CA HIS A 79 10.321 13.384 4.370 1.00 0.00 C ATOM 1265 C HIS A 79 9.977 11.913 4.145 1.00 0.00 C ATOM 1266 O HIS A 79 10.836 11.108 3.857 1.00 0.00 O ATOM 1267 CB HIS A 79 11.400 13.826 3.374 1.00 0.00 C ATOM 1268 CG HIS A 79 12.292 14.851 4.025 1.00 0.00 C ATOM 1269 ND1 HIS A 79 13.670 14.829 3.888 1.00 0.00 N ATOM 1270 CD2 HIS A 79 12.012 15.924 4.834 1.00 0.00 C ATOM 1271 CE1 HIS A 79 14.164 15.859 4.598 1.00 0.00 C ATOM 1272 NE2 HIS A 79 13.196 16.560 5.195 1.00 0.00 N ATOM 0 H HIS A 79 11.576 12.902 6.026 1.00 0.00 H new ATOM 0 HA HIS A 79 9.434 14.000 4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.989 12.966 3.054 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.936 14.246 2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.023 16.228 5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.216 16.091 4.676 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.302 17.384 5.787 1.00 0.00 H new ATOM 1280 N ILE A 80 8.729 11.554 4.303 1.00 0.00 N ATOM 1281 CA ILE A 80 8.325 10.126 4.131 1.00 0.00 C ATOM 1282 C ILE A 80 7.753 9.887 2.730 1.00 0.00 C ATOM 1283 O ILE A 80 6.858 10.577 2.288 1.00 0.00 O ATOM 1284 CB ILE A 80 7.257 9.783 5.170 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.742 10.220 6.555 1.00 0.00 C ATOM 1286 CG2 ILE A 80 7.002 8.274 5.167 1.00 0.00 C ATOM 1287 CD1 ILE A 80 6.777 9.699 7.622 1.00 0.00 C ATOM 0 H ILE A 80 7.970 12.191 4.545 1.00 0.00 H new ATOM 0 HA ILE A 80 9.204 9.495 4.262 1.00 0.00 H new ATOM 0 HB ILE A 80 6.330 10.303 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.745 9.836 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.803 11.307 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.240 8.032 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.658 7.965 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.925 7.748 5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.122 10.010 8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.782 10.105 7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.739 8.611 7.578 1.00 0.00 H new ATOM 1299 N THR A 81 8.252 8.894 2.035 1.00 0.00 N ATOM 1300 CA THR A 81 7.723 8.593 0.674 1.00 0.00 C ATOM 1301 C THR A 81 7.075 7.206 0.693 1.00 0.00 C ATOM 1302 O THR A 81 7.723 6.214 0.962 1.00 0.00 O ATOM 1303 CB THR A 81 8.869 8.610 -0.341 1.00 0.00 C ATOM 1304 OG1 THR A 81 9.737 9.699 -0.055 1.00 0.00 O ATOM 1305 CG2 THR A 81 8.302 8.761 -1.754 1.00 0.00 C ATOM 0 H THR A 81 9.002 8.281 2.354 1.00 0.00 H new ATOM 0 HA THR A 81 6.986 9.344 0.390 1.00 0.00 H new ATOM 0 HB THR A 81 9.426 7.675 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.472 9.710 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.120 8.773 -2.475 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.639 7.924 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.743 9.694 -1.824 1.00 0.00 H new ATOM 1313 N LEU A 82 5.800 7.127 0.421 1.00 0.00 N ATOM 1314 CA LEU A 82 5.117 5.799 0.437 1.00 0.00 C ATOM 1315 C LEU A 82 5.360 5.074 -0.891 1.00 0.00 C ATOM 1316 O LEU A 82 5.226 5.646 -1.954 1.00 0.00 O ATOM 1317 CB LEU A 82 3.617 6.005 0.647 1.00 0.00 C ATOM 1318 CG LEU A 82 3.157 5.187 1.854 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.173 6.071 3.103 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.735 4.678 1.611 1.00 0.00 C ATOM 0 H LEU A 82 5.203 7.921 0.189 1.00 0.00 H new ATOM 0 HA LEU A 82 5.518 5.194 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.403 7.062 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.068 5.699 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 82 3.828 4.340 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.845 5.489 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.185 6.438 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.500 6.917 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.406 4.095 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.064 5.526 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.720 4.051 0.720 1.00 0.00 H new ATOM 1332 N TRP A 83 5.742 3.824 -0.835 1.00 0.00 N ATOM 1333 CA TRP A 83 6.023 3.070 -2.075 1.00 0.00 C ATOM 1334 C TRP A 83 5.137 1.813 -2.126 1.00 0.00 C ATOM 1335 O TRP A 83 5.283 0.914 -1.329 1.00 0.00 O ATOM 1336 CB TRP A 83 7.521 2.721 -2.033 1.00 0.00 C ATOM 1337 CG TRP A 83 7.793 1.309 -2.440 1.00 0.00 C ATOM 1338 CD1 TRP A 83 7.624 0.238 -1.640 1.00 0.00 C ATOM 1339 CD2 TRP A 83 8.308 0.802 -3.703 1.00 0.00 C ATOM 1340 NE1 TRP A 83 7.979 -0.903 -2.337 1.00 0.00 N ATOM 1341 CE2 TRP A 83 8.414 -0.604 -3.613 1.00 0.00 C ATOM 1342 CE3 TRP A 83 8.683 1.421 -4.905 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 8.874 -1.370 -4.683 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 9.151 0.652 -5.984 1.00 0.00 C ATOM 1345 CH2 TRP A 83 9.246 -0.740 -5.871 1.00 0.00 C ATOM 0 H TRP A 83 5.870 3.296 0.028 1.00 0.00 H new ATOM 0 HA TRP A 83 5.799 3.645 -2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.066 3.397 -2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.900 2.884 -1.024 1.00 0.00 H new ATOM 0 HD1 TRP A 83 7.269 0.266 -0.620 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.926 -1.848 -1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.612 2.494 -5.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 8.942 -2.444 -4.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 9.439 1.137 -6.905 1.00 0.00 H new ATOM 0 HH2 TRP A 83 9.607 -1.326 -6.703 1.00 0.00 H new ATOM 1356 N PHE A 84 4.216 1.732 -3.054 1.00 0.00 N ATOM 1357 CA PHE A 84 3.361 0.522 -3.111 1.00 0.00 C ATOM 1358 C PHE A 84 3.485 -0.139 -4.480 1.00 0.00 C ATOM 1359 O PHE A 84 3.071 0.404 -5.484 1.00 0.00 O ATOM 1360 CB PHE A 84 1.895 0.874 -2.863 1.00 0.00 C ATOM 1361 CG PHE A 84 1.638 2.354 -3.013 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.888 2.991 -4.232 1.00 0.00 C ATOM 1363 CD2 PHE A 84 1.118 3.082 -1.936 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.613 4.355 -4.378 1.00 0.00 C ATOM 1365 CE2 PHE A 84 0.848 4.446 -2.078 1.00 0.00 C ATOM 1366 CZ PHE A 84 1.095 5.084 -3.298 1.00 0.00 C ATOM 0 H PHE A 84 4.026 2.442 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 84 3.698 -0.163 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.266 0.324 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.610 0.556 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.293 2.430 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.925 2.589 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.800 4.846 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.449 5.007 -1.246 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.887 6.138 -3.408 1.00 0.00 H new ATOM 1376 N TRP A 85 4.045 -1.314 -4.522 1.00 0.00 N ATOM 1377 CA TRP A 85 4.184 -2.017 -5.830 1.00 0.00 C ATOM 1378 C TRP A 85 2.876 -2.745 -6.157 1.00 0.00 C ATOM 1379 O TRP A 85 2.700 -3.907 -5.853 1.00 0.00 O ATOM 1380 CB TRP A 85 5.344 -3.019 -5.781 1.00 0.00 C ATOM 1381 CG TRP A 85 5.137 -4.024 -4.689 1.00 0.00 C ATOM 1382 CD1 TRP A 85 4.130 -4.012 -3.781 1.00 0.00 C ATOM 1383 CD2 TRP A 85 5.951 -5.190 -4.377 1.00 0.00 C ATOM 1384 NE1 TRP A 85 4.275 -5.097 -2.939 1.00 0.00 N ATOM 1385 CE2 TRP A 85 5.383 -5.852 -3.264 1.00 0.00 C ATOM 1386 CE3 TRP A 85 7.116 -5.732 -4.950 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 5.952 -7.011 -2.737 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.692 -6.899 -4.420 1.00 0.00 C ATOM 1389 CH2 TRP A 85 7.110 -7.537 -3.315 1.00 0.00 C ATOM 0 H TRP A 85 4.411 -1.817 -3.714 1.00 0.00 H new ATOM 0 HA TRP A 85 4.397 -1.283 -6.607 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.429 -3.530 -6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 85 6.282 -2.488 -5.619 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.343 -3.274 -3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.640 -5.314 -2.171 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.570 -5.248 -5.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 5.500 -7.499 -1.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 8.587 -7.307 -4.866 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.556 -8.434 -2.911 1.00 0.00 H new ATOM 1400 N LEU A 86 1.955 -2.067 -6.781 1.00 0.00 N ATOM 1401 CA LEU A 86 0.660 -2.706 -7.127 1.00 0.00 C ATOM 1402 C LEU A 86 0.923 -4.097 -7.698 1.00 0.00 C ATOM 1403 O LEU A 86 1.417 -4.251 -8.797 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.067 -1.829 -8.148 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.398 -1.337 -7.563 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.209 -0.849 -6.128 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.925 -0.174 -8.396 1.00 0.00 C ATOM 0 H LEU A 86 2.046 -1.092 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 86 0.035 -2.807 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.558 -0.978 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.249 -2.395 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.102 -2.169 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.164 -0.505 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.834 -1.667 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.493 -0.027 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.870 0.174 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.201 0.641 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.081 -0.504 -9.423 1.00 0.00 H new ATOM 1419 N VAL A 87 0.613 -5.113 -6.941 1.00 0.00 N ATOM 1420 CA VAL A 87 0.858 -6.498 -7.410 1.00 0.00 C ATOM 1421 C VAL A 87 -0.265 -6.948 -8.346 1.00 0.00 C ATOM 1422 O VAL A 87 -1.237 -6.246 -8.550 1.00 0.00 O ATOM 1423 CB VAL A 87 0.910 -7.413 -6.196 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.978 -6.914 -5.224 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.453 -7.423 -5.503 1.00 0.00 C ATOM 0 H VAL A 87 0.198 -5.039 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 87 1.800 -6.540 -7.957 1.00 0.00 H new ATOM 0 HB VAL A 87 1.159 -8.425 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.014 -7.571 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.949 -6.914 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.734 -5.901 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.414 -8.079 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.706 -6.412 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.211 -7.785 -6.197 1.00 0.00 H new ATOM 1435 N GLU A 88 -0.135 -8.113 -8.928 1.00 0.00 N ATOM 1436 CA GLU A 88 -1.193 -8.601 -9.859 1.00 0.00 C ATOM 1437 C GLU A 88 -1.625 -10.024 -9.480 1.00 0.00 C ATOM 1438 O GLU A 88 -2.670 -10.481 -9.886 1.00 0.00 O ATOM 1439 CB GLU A 88 -0.653 -8.604 -11.292 1.00 0.00 C ATOM 1440 CG GLU A 88 0.130 -7.316 -11.556 1.00 0.00 C ATOM 1441 CD GLU A 88 -0.705 -6.380 -12.432 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -1.014 -6.765 -13.548 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -1.023 -5.296 -11.972 1.00 0.00 O ATOM 0 H GLU A 88 0.656 -8.744 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.054 -7.937 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.009 -9.470 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.477 -8.691 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.374 -6.827 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.074 -7.547 -12.049 1.00 0.00 H new ATOM 1450 N ARG A 89 -0.833 -10.733 -8.720 1.00 0.00 N ATOM 1451 CA ARG A 89 -1.219 -12.121 -8.338 1.00 0.00 C ATOM 1452 C ARG A 89 -0.403 -12.584 -7.130 1.00 0.00 C ATOM 1453 O ARG A 89 0.520 -11.925 -6.694 1.00 0.00 O ATOM 1454 CB ARG A 89 -0.940 -13.068 -9.510 1.00 0.00 C ATOM 1455 CG ARG A 89 -2.098 -13.031 -10.507 1.00 0.00 C ATOM 1456 CD ARG A 89 -3.419 -13.162 -9.758 1.00 0.00 C ATOM 1457 NE ARG A 89 -4.447 -13.769 -10.651 1.00 0.00 N ATOM 1458 CZ ARG A 89 -4.478 -13.463 -11.920 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -4.992 -12.325 -12.305 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -3.995 -14.293 -12.803 1.00 0.00 N ATOM 0 H ARG A 89 0.061 -10.412 -8.349 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.279 -12.132 -8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.014 -12.780 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.801 -14.084 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.078 -12.098 -11.069 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.996 -13.841 -11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.285 -13.780 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.753 -12.182 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.128 -14.425 -10.269 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.369 -11.676 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.016 -12.086 -13.296 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.593 -15.181 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.019 -14.054 -13.794 1.00 0.00 H new ATOM 1474 N TRP A 90 -0.725 -13.740 -6.616 1.00 0.00 N ATOM 1475 CA TRP A 90 0.037 -14.301 -5.464 1.00 0.00 C ATOM 1476 C TRP A 90 -0.621 -15.578 -4.984 1.00 0.00 C ATOM 1477 O TRP A 90 -1.612 -16.035 -5.520 1.00 0.00 O ATOM 1478 CB TRP A 90 0.092 -13.328 -4.289 1.00 0.00 C ATOM 1479 CG TRP A 90 -1.266 -13.178 -3.679 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -1.728 -13.909 -2.639 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.340 -12.256 -4.034 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -3.013 -13.499 -2.336 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -3.435 -12.486 -3.167 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.472 -11.257 -5.013 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.616 -11.752 -3.266 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -3.660 -10.516 -5.114 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -4.730 -10.763 -4.243 1.00 0.00 C ATOM 0 H TRP A 90 -1.491 -14.325 -6.949 1.00 0.00 H new ATOM 0 HA TRP A 90 1.052 -14.491 -5.814 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.797 -13.690 -3.541 1.00 0.00 H new ATOM 0 HB3 TRP A 90 0.456 -12.358 -4.627 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.181 -14.687 -2.128 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.579 -13.899 -1.588 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.655 -11.058 -5.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.436 -11.948 -2.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.750 -9.749 -5.869 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.641 -10.189 -4.328 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.053 -16.161 -3.978 1.00 0.00 N ATOM 1499 CA GLU A 91 -0.607 -17.424 -3.441 1.00 0.00 C ATOM 1500 C GLU A 91 -0.668 -17.382 -1.911 1.00 0.00 C ATOM 1501 O GLU A 91 0.343 -17.444 -1.240 1.00 0.00 O ATOM 1502 CB GLU A 91 0.308 -18.552 -3.873 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.488 -19.846 -3.912 1.00 0.00 C ATOM 1504 CD GLU A 91 0.349 -20.990 -3.338 1.00 0.00 C ATOM 1505 OE1 GLU A 91 1.488 -21.131 -3.752 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -0.164 -21.706 -2.493 1.00 0.00 O ATOM 0 H GLU A 91 0.779 -15.815 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.619 -17.571 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.730 -18.340 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.144 -18.645 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.408 -19.734 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.777 -20.075 -4.938 1.00 0.00 H new ATOM 1513 N GLY A 92 -1.845 -17.296 -1.348 1.00 0.00 N ATOM 1514 CA GLY A 92 -1.955 -17.270 0.142 1.00 0.00 C ATOM 1515 C GLY A 92 -2.496 -15.917 0.612 1.00 0.00 C ATOM 1516 O GLY A 92 -3.150 -15.208 -0.123 1.00 0.00 O ATOM 0 H GLY A 92 -2.730 -17.243 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.615 -18.070 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.978 -17.454 0.589 1.00 0.00 H new ATOM 1520 N GLU A 93 -2.227 -15.559 1.839 1.00 0.00 N ATOM 1521 CA GLU A 93 -2.719 -14.256 2.374 1.00 0.00 C ATOM 1522 C GLU A 93 -1.537 -13.287 2.498 1.00 0.00 C ATOM 1523 O GLU A 93 -0.750 -13.399 3.413 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.333 -14.482 3.756 1.00 0.00 C ATOM 1525 CG GLU A 93 -4.835 -14.201 3.705 1.00 0.00 C ATOM 1526 CD GLU A 93 -5.378 -14.077 5.129 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -4.924 -13.195 5.841 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -6.235 -14.866 5.486 1.00 0.00 O ATOM 0 H GLU A 93 -1.684 -16.117 2.498 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.469 -13.838 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.156 -15.508 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.856 -13.830 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.025 -13.282 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.349 -15.004 3.177 1.00 0.00 H new ATOM 1535 N PRO A 94 -1.434 -12.378 1.561 1.00 0.00 N ATOM 1536 CA PRO A 94 -0.331 -11.399 1.536 1.00 0.00 C ATOM 1537 C PRO A 94 -0.401 -10.426 2.718 1.00 0.00 C ATOM 1538 O PRO A 94 -1.168 -10.603 3.643 1.00 0.00 O ATOM 1539 CB PRO A 94 -0.517 -10.633 0.233 1.00 0.00 C ATOM 1540 CG PRO A 94 -1.854 -11.098 -0.401 1.00 0.00 C ATOM 1541 CD PRO A 94 -2.398 -12.252 0.455 1.00 0.00 C ATOM 0 HA PRO A 94 0.635 -11.899 1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.535 -9.559 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.315 -10.824 -0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.569 -10.276 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.697 -11.425 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.400 -12.034 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.465 -13.175 -0.120 1.00 0.00 H new ATOM 1549 N TRP A 95 0.407 -9.389 2.684 1.00 0.00 N ATOM 1550 CA TRP A 95 0.412 -8.398 3.788 1.00 0.00 C ATOM 1551 C TRP A 95 0.449 -7.003 3.198 1.00 0.00 C ATOM 1552 O TRP A 95 0.275 -6.807 2.012 1.00 0.00 O ATOM 1553 CB TRP A 95 1.660 -8.581 4.664 1.00 0.00 C ATOM 1554 CG TRP A 95 2.883 -8.790 3.815 1.00 0.00 C ATOM 1555 CD1 TRP A 95 3.581 -9.938 3.778 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.576 -7.867 2.911 1.00 0.00 C ATOM 1557 NE1 TRP A 95 4.649 -9.803 2.917 1.00 0.00 N ATOM 1558 CE2 TRP A 95 4.692 -8.540 2.352 1.00 0.00 C ATOM 1559 CE3 TRP A 95 3.353 -6.531 2.518 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.548 -7.906 1.444 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 4.214 -5.900 1.604 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.304 -6.586 1.072 1.00 0.00 C ATOM 0 H TRP A 95 1.064 -9.194 1.929 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.483 -8.541 4.393 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.797 -7.704 5.297 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.522 -9.435 5.327 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.342 -10.830 4.338 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.324 -10.542 2.721 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.512 -5.988 2.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.394 -8.438 1.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.030 -4.877 1.312 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.961 -6.093 0.370 1.00 0.00 H new ATOM 1573 N GLY A 96 0.693 -6.033 4.020 1.00 0.00 N ATOM 1574 CA GLY A 96 0.767 -4.646 3.524 1.00 0.00 C ATOM 1575 C GLY A 96 1.532 -3.802 4.537 1.00 0.00 C ATOM 1576 O GLY A 96 2.695 -3.501 4.365 1.00 0.00 O ATOM 0 H GLY A 96 0.845 -6.144 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.266 -4.618 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.235 -4.244 3.378 1.00 0.00 H new ATOM 1580 N LYS A 97 0.886 -3.432 5.598 1.00 0.00 N ATOM 1581 CA LYS A 97 1.556 -2.616 6.643 1.00 0.00 C ATOM 1582 C LYS A 97 2.265 -3.540 7.636 1.00 0.00 C ATOM 1583 O LYS A 97 2.247 -4.747 7.497 1.00 0.00 O ATOM 1584 CB LYS A 97 0.508 -1.783 7.378 1.00 0.00 C ATOM 1585 CG LYS A 97 1.189 -0.584 8.031 1.00 0.00 C ATOM 1586 CD LYS A 97 0.307 0.656 7.883 1.00 0.00 C ATOM 1587 CE LYS A 97 1.081 1.750 7.143 1.00 0.00 C ATOM 1588 NZ LYS A 97 0.149 2.850 6.767 1.00 0.00 N ATOM 0 H LYS A 97 -0.089 -3.661 5.791 1.00 0.00 H new ATOM 0 HA LYS A 97 2.289 -1.956 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.260 -1.446 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.009 -2.389 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.372 -0.788 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.160 -0.409 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.602 0.405 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.001 1.015 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.880 2.136 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.552 1.337 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.685 3.733 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.328 2.611 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.561 2.975 7.517 1.00 0.00 H new ATOM 1602 N GLU A 98 2.895 -2.981 8.632 1.00 0.00 N ATOM 1603 CA GLU A 98 3.609 -3.824 9.631 1.00 0.00 C ATOM 1604 C GLU A 98 2.680 -4.134 10.807 1.00 0.00 C ATOM 1605 O GLU A 98 2.718 -5.210 11.371 1.00 0.00 O ATOM 1606 CB GLU A 98 4.839 -3.070 10.143 1.00 0.00 C ATOM 1607 CG GLU A 98 5.826 -4.061 10.760 1.00 0.00 C ATOM 1608 CD GLU A 98 6.624 -3.364 11.862 1.00 0.00 C ATOM 1609 OE1 GLU A 98 6.010 -2.911 12.814 1.00 0.00 O ATOM 1610 OE2 GLU A 98 7.836 -3.296 11.737 1.00 0.00 O ATOM 0 H GLU A 98 2.946 -1.976 8.797 1.00 0.00 H new ATOM 0 HA GLU A 98 3.917 -4.757 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.314 -2.530 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.541 -2.328 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.290 -4.917 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.500 -4.444 9.994 1.00 0.00 H new ATOM 1617 N GLY A 99 1.847 -3.203 11.185 1.00 0.00 N ATOM 1618 CA GLY A 99 0.924 -3.455 12.328 1.00 0.00 C ATOM 1619 C GLY A 99 -0.455 -2.866 12.023 1.00 0.00 C ATOM 1620 O GLY A 99 -1.312 -2.799 12.881 1.00 0.00 O ATOM 0 H GLY A 99 1.766 -2.282 10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.839 -4.527 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.327 -3.009 13.237 1.00 0.00 H new ATOM 1624 N GLN A 100 -0.677 -2.436 10.811 1.00 0.00 N ATOM 1625 CA GLN A 100 -1.997 -1.851 10.462 1.00 0.00 C ATOM 1626 C GLN A 100 -2.860 -2.906 9.756 1.00 0.00 C ATOM 1627 O GLN A 100 -2.586 -3.265 8.628 1.00 0.00 O ATOM 1628 CB GLN A 100 -1.782 -0.669 9.518 1.00 0.00 C ATOM 1629 CG GLN A 100 -3.129 -0.031 9.195 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.103 1.447 9.589 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -2.475 1.818 10.561 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -3.763 2.312 8.868 1.00 0.00 N ATOM 0 H GLN A 100 0.000 -2.466 10.049 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.500 -1.520 11.370 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.121 0.064 9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.296 -1.004 8.602 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.344 -0.131 8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.925 -0.547 9.731 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.290 2.000 8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.752 3.300 9.120 1.00 0.00 H new ATOM 1641 N PRO A 101 -3.883 -3.369 10.435 1.00 0.00 N ATOM 1642 CA PRO A 101 -4.799 -4.376 9.874 1.00 0.00 C ATOM 1643 C PRO A 101 -5.455 -3.826 8.605 1.00 0.00 C ATOM 1644 O PRO A 101 -6.095 -2.794 8.629 1.00 0.00 O ATOM 1645 CB PRO A 101 -5.850 -4.605 10.967 1.00 0.00 C ATOM 1646 CG PRO A 101 -5.514 -3.659 12.147 1.00 0.00 C ATOM 1647 CD PRO A 101 -4.210 -2.926 11.801 1.00 0.00 C ATOM 0 HA PRO A 101 -4.290 -5.300 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.850 -4.400 10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.841 -5.644 11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.323 -2.946 12.308 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.401 -4.226 13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.340 -1.845 11.846 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.415 -3.181 12.501 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.299 -4.497 7.498 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.917 -3.993 6.240 1.00 0.00 C ATOM 1657 C GLY A 102 -7.235 -4.722 5.987 1.00 0.00 C ATOM 1658 O GLY A 102 -7.544 -5.700 6.639 1.00 0.00 O ATOM 0 H GLY A 102 -4.774 -5.367 7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.092 -2.920 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.238 -4.148 5.402 1.00 0.00 H new ATOM 1662 N GLU A 103 -8.030 -4.257 5.055 1.00 0.00 N ATOM 1663 CA GLU A 103 -9.326 -4.946 4.800 1.00 0.00 C ATOM 1664 C GLU A 103 -9.441 -5.318 3.321 1.00 0.00 C ATOM 1665 O GLU A 103 -8.838 -4.706 2.462 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.483 -4.026 5.195 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.510 -2.807 4.272 1.00 0.00 C ATOM 1668 CD GLU A 103 -11.409 -1.730 4.880 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -12.524 -2.056 5.252 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.966 -0.596 4.965 1.00 0.00 O ATOM 0 H GLU A 103 -7.840 -3.443 4.470 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.369 -5.857 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.428 -4.565 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.370 -3.707 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.501 -2.419 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.879 -3.091 3.287 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.215 -6.326 3.025 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.380 -6.757 1.604 1.00 0.00 C ATOM 1679 C TRP A 104 -11.624 -6.090 1.013 1.00 0.00 C ATOM 1680 O TRP A 104 -12.740 -6.485 1.283 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.540 -8.287 1.514 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.536 -8.902 2.881 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -9.427 -9.289 3.552 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -11.667 -9.198 3.752 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -9.804 -9.809 4.777 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -11.175 -9.775 4.947 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -13.056 -9.027 3.623 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -12.031 -10.166 5.977 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -13.921 -9.419 4.659 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -13.409 -9.989 5.833 1.00 0.00 C ATOM 0 H TRP A 104 -10.742 -6.872 3.706 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.492 -6.461 1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.471 -8.531 1.003 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -9.730 -8.708 0.918 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -8.413 -9.206 3.190 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -9.150 -10.173 5.470 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.461 -8.591 2.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -11.631 -10.603 6.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.986 -9.280 4.550 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -14.079 -10.291 6.625 1.00 0.00 H new ATOM 1701 N MET A 105 -11.441 -5.086 0.199 1.00 0.00 N ATOM 1702 CA MET A 105 -12.613 -4.403 -0.414 1.00 0.00 C ATOM 1703 C MET A 105 -12.920 -5.045 -1.766 1.00 0.00 C ATOM 1704 O MET A 105 -12.143 -5.824 -2.280 1.00 0.00 O ATOM 1705 CB MET A 105 -12.296 -2.920 -0.611 1.00 0.00 C ATOM 1706 CG MET A 105 -13.435 -2.075 -0.037 1.00 0.00 C ATOM 1707 SD MET A 105 -12.774 -0.504 0.571 1.00 0.00 S ATOM 1708 CE MET A 105 -12.001 -1.151 2.073 1.00 0.00 C ATOM 0 H MET A 105 -10.531 -4.710 -0.067 1.00 0.00 H new ATOM 0 HA MET A 105 -13.478 -4.502 0.242 1.00 0.00 H new ATOM 0 HB2 MET A 105 -11.358 -2.669 -0.117 1.00 0.00 H new ATOM 0 HB3 MET A 105 -12.166 -2.703 -1.671 1.00 0.00 H new ATOM 0 HG2 MET A 105 -14.188 -1.893 -0.803 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.928 -2.612 0.773 1.00 0.00 H new ATOM 0 HE1 MET A 105 -11.953 -0.364 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 105 -12.591 -1.984 2.456 1.00 0.00 H new ATOM 0 HE3 MET A 105 -10.993 -1.496 1.844 1.00 0.00 H new ATOM 1718 N SER A 106 -14.045 -4.731 -2.347 1.00 0.00 N ATOM 1719 CA SER A 106 -14.393 -5.331 -3.664 1.00 0.00 C ATOM 1720 C SER A 106 -14.475 -4.230 -4.723 1.00 0.00 C ATOM 1721 O SER A 106 -15.529 -3.954 -5.264 1.00 0.00 O ATOM 1722 CB SER A 106 -15.745 -6.039 -3.561 1.00 0.00 C ATOM 1723 OG SER A 106 -16.067 -6.628 -4.815 1.00 0.00 O ATOM 0 H SER A 106 -14.737 -4.086 -1.967 1.00 0.00 H new ATOM 0 HA SER A 106 -13.625 -6.051 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.709 -6.804 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.519 -5.328 -3.271 1.00 0.00 H new ATOM 0 HG SER A 106 -16.161 -5.926 -5.492 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.375 -3.598 -5.022 1.00 0.00 N ATOM 1730 CA LEU A 107 -13.396 -2.516 -6.047 1.00 0.00 C ATOM 1731 C LEU A 107 -14.558 -1.564 -5.753 1.00 0.00 C ATOM 1732 O LEU A 107 -15.443 -1.382 -6.566 1.00 0.00 O ATOM 1733 CB LEU A 107 -13.578 -3.133 -7.435 1.00 0.00 C ATOM 1734 CG LEU A 107 -12.635 -2.450 -8.425 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -11.188 -2.816 -8.088 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -12.960 -2.919 -9.844 1.00 0.00 C ATOM 0 H LEU A 107 -12.464 -3.783 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.456 -1.964 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -13.372 -4.203 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -14.611 -3.019 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.761 -1.369 -8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.516 -2.329 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.955 -2.484 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.061 -3.897 -8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.288 -2.432 -10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.833 -4.000 -9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -13.991 -2.660 -10.086 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.566 -0.957 -4.598 1.00 0.00 N ATOM 1749 CA VAL A 108 -15.675 -0.020 -4.257 1.00 0.00 C ATOM 1750 C VAL A 108 -15.116 1.392 -4.081 1.00 0.00 C ATOM 1751 O VAL A 108 -15.316 2.256 -4.911 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.338 -0.472 -2.956 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -17.611 0.343 -2.722 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.694 -1.956 -3.057 1.00 0.00 C ATOM 0 H VAL A 108 -13.854 -1.069 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.411 -0.020 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.651 -0.318 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.084 0.021 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -17.358 1.401 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -18.300 0.189 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.167 -2.281 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.382 -2.109 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -15.787 -2.537 -3.224 1.00 0.00 H new ATOM 1764 N GLY A 109 -14.419 1.636 -3.005 1.00 0.00 N ATOM 1765 CA GLY A 109 -13.849 2.994 -2.779 1.00 0.00 C ATOM 1766 C GLY A 109 -12.364 2.990 -3.149 1.00 0.00 C ATOM 1767 O GLY A 109 -11.571 3.714 -2.581 1.00 0.00 O ATOM 0 H GLY A 109 -14.220 0.954 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.383 3.729 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.974 3.284 -1.736 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.983 2.179 -4.097 1.00 0.00 N ATOM 1772 CA LEU A 110 -10.576 2.109 -4.513 1.00 0.00 C ATOM 1773 C LEU A 110 -10.179 3.428 -5.182 1.00 0.00 C ATOM 1774 O LEU A 110 -9.019 3.771 -5.281 1.00 0.00 O ATOM 1775 CB LEU A 110 -10.483 0.920 -5.477 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.845 1.324 -6.805 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.373 1.680 -6.587 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -9.947 0.165 -7.799 1.00 0.00 C ATOM 0 H LEU A 110 -12.609 1.554 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.893 1.966 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.897 0.123 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.480 0.519 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.370 2.192 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.923 1.967 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.300 2.511 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.846 0.816 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.491 0.456 -8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.427 -0.705 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.996 -0.083 -7.963 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.144 4.165 -5.640 1.00 0.00 N ATOM 1791 CA ASN A 111 -10.842 5.461 -6.309 1.00 0.00 C ATOM 1792 C ASN A 111 -10.552 6.531 -5.255 1.00 0.00 C ATOM 1793 O ASN A 111 -10.547 6.263 -4.070 1.00 0.00 O ATOM 1794 CB ASN A 111 -12.047 5.891 -7.148 1.00 0.00 C ATOM 1795 CG ASN A 111 -11.667 5.889 -8.629 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -10.503 5.955 -8.970 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -12.608 5.814 -9.530 1.00 0.00 N ATOM 0 H ASN A 111 -12.134 3.928 -5.581 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.970 5.341 -6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -12.883 5.214 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -12.376 6.886 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.366 5.811 -10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.585 5.759 -9.243 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.309 7.741 -5.679 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.014 8.829 -4.706 1.00 0.00 C ATOM 1806 C ALA A 112 -11.275 9.156 -3.901 1.00 0.00 C ATOM 1807 O ALA A 112 -11.245 9.937 -2.970 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.572 10.080 -5.465 1.00 0.00 C ATOM 0 H ALA A 112 -10.302 8.023 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.222 8.503 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.355 10.879 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.676 9.856 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.369 10.398 -6.137 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.387 8.573 -4.261 1.00 0.00 N ATOM 1815 CA ASP A 113 -13.652 8.852 -3.534 1.00 0.00 C ATOM 1816 C ASP A 113 -13.530 8.395 -2.082 1.00 0.00 C ATOM 1817 O ASP A 113 -13.752 9.156 -1.161 1.00 0.00 O ATOM 1818 CB ASP A 113 -14.787 8.087 -4.211 1.00 0.00 C ATOM 1819 CG ASP A 113 -16.117 8.797 -3.948 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -16.581 8.745 -2.821 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.649 9.380 -4.879 1.00 0.00 O ATOM 0 H ASP A 113 -12.470 7.912 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.856 9.923 -3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.605 8.021 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.827 7.066 -3.831 1.00 0.00 H new ATOM 1826 N ASP A 114 -13.185 7.157 -1.869 1.00 0.00 N ATOM 1827 CA ASP A 114 -13.060 6.654 -0.473 1.00 0.00 C ATOM 1828 C ASP A 114 -11.628 6.855 0.024 1.00 0.00 C ATOM 1829 O ASP A 114 -11.330 6.630 1.180 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.410 5.166 -0.427 1.00 0.00 C ATOM 1831 CG ASP A 114 -13.760 4.771 1.009 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.179 5.341 1.919 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -14.602 3.905 1.175 1.00 0.00 O ATOM 0 H ASP A 114 -12.985 6.473 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.746 7.208 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.251 4.958 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -12.569 4.572 -0.785 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.737 7.279 -0.830 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.333 7.489 -0.373 1.00 0.00 C ATOM 1840 C PHE A 115 -9.176 8.922 0.146 1.00 0.00 C ATOM 1841 O PHE A 115 -9.761 9.840 -0.393 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.360 7.237 -1.525 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.730 5.877 -1.336 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -8.384 4.736 -1.814 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -6.501 5.754 -0.671 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -7.814 3.472 -1.627 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -5.930 4.488 -0.488 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.588 3.348 -0.966 1.00 0.00 C ATOM 0 H PHE A 115 -10.916 7.487 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.107 6.788 0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.884 7.281 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.592 8.010 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.329 4.831 -2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.996 6.634 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.321 2.592 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.983 4.391 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.148 2.372 -0.824 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.405 9.069 1.196 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.176 10.380 1.827 1.00 0.00 C ATOM 1860 C PRO A 116 -7.289 11.261 0.935 1.00 0.00 C ATOM 1861 O PRO A 116 -6.563 10.761 0.098 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.458 10.052 3.144 1.00 0.00 C ATOM 1863 CG PRO A 116 -7.174 8.531 3.160 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.705 7.946 1.844 1.00 0.00 C ATOM 0 HA PRO A 116 -9.103 10.932 1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.528 10.615 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.075 10.335 3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.105 8.342 3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.662 8.059 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.893 7.571 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.380 7.109 2.025 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.377 12.551 1.148 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.592 13.537 0.379 1.00 0.00 C ATOM 1874 C PRO A 117 -5.090 13.298 0.572 1.00 0.00 C ATOM 1875 O PRO A 117 -4.678 12.368 1.235 1.00 0.00 O ATOM 1876 CB PRO A 117 -6.997 14.900 0.958 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.034 14.646 2.083 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.269 13.130 2.170 1.00 0.00 C ATOM 0 HA PRO A 117 -6.785 13.470 -0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.125 15.422 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.424 15.534 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.668 15.031 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.967 15.166 1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.032 12.749 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.311 12.879 1.973 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.272 14.139 -0.007 1.00 0.00 N ATOM 1887 CA ALA A 118 -2.797 13.973 0.138 1.00 0.00 C ATOM 1888 C ALA A 118 -2.317 12.802 -0.724 1.00 0.00 C ATOM 1889 O ALA A 118 -1.142 12.499 -0.775 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.456 13.695 1.604 1.00 0.00 C ATOM 0 H ALA A 118 -4.564 14.935 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.301 14.887 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.378 13.574 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.789 14.530 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.957 12.783 1.928 1.00 0.00 H new ATOM 1896 N ASN A 119 -3.214 12.131 -1.392 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.810 10.979 -2.231 1.00 0.00 C ATOM 1898 C ASN A 119 -3.360 11.161 -3.649 1.00 0.00 C ATOM 1899 O ASN A 119 -3.844 10.235 -4.266 1.00 0.00 O ATOM 1900 CB ASN A 119 -3.388 9.714 -1.611 1.00 0.00 C ATOM 1901 CG ASN A 119 -2.285 8.954 -0.874 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -1.869 7.896 -1.301 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -1.792 9.454 0.226 1.00 0.00 N ATOM 0 H ASN A 119 -4.213 12.336 -1.390 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.724 10.908 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.191 9.970 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -3.823 9.083 -2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.057 8.956 0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.142 10.343 0.584 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.290 12.355 -4.165 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.806 12.626 -5.533 1.00 0.00 C ATOM 1912 C GLU A 120 -2.864 12.073 -6.630 1.00 0.00 C ATOM 1913 O GLU A 120 -3.336 11.584 -7.637 1.00 0.00 O ATOM 1914 CB GLU A 120 -3.959 14.139 -5.714 1.00 0.00 C ATOM 1915 CG GLU A 120 -4.685 14.725 -4.498 1.00 0.00 C ATOM 1916 CD GLU A 120 -4.771 16.246 -4.633 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -5.139 16.707 -5.701 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -4.469 16.925 -3.665 1.00 0.00 O ATOM 0 H GLU A 120 -2.892 13.165 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.767 12.122 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.980 14.604 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.519 14.353 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.686 14.300 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.154 14.461 -3.583 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.567 12.188 -6.430 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.577 11.725 -7.427 1.00 0.00 C ATOM 1927 C PRO A 121 -0.664 10.211 -7.667 1.00 0.00 C ATOM 1928 O PRO A 121 -0.403 9.743 -8.758 1.00 0.00 O ATOM 1929 CB PRO A 121 0.788 12.093 -6.830 1.00 0.00 C ATOM 1930 CG PRO A 121 0.534 12.806 -5.480 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.979 12.777 -5.216 1.00 0.00 C ATOM 0 HA PRO A 121 -0.752 12.189 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.394 11.199 -6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.339 12.744 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.073 12.305 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.897 13.833 -5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.214 12.181 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.367 13.779 -5.036 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.013 9.432 -6.677 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.090 7.968 -6.900 1.00 0.00 C ATOM 1941 C VAL A 122 -2.549 7.562 -7.081 1.00 0.00 C ATOM 1942 O VAL A 122 -2.903 6.898 -8.034 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.482 7.236 -5.707 1.00 0.00 C ATOM 1944 CG1 VAL A 122 1.004 6.999 -5.975 1.00 0.00 C ATOM 1945 CG2 VAL A 122 -0.641 8.070 -4.432 1.00 0.00 C ATOM 0 H VAL A 122 -1.245 9.747 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.532 7.702 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.996 6.285 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.448 6.476 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.120 6.395 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.506 7.957 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.202 7.535 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.134 9.027 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.700 8.243 -4.240 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.405 7.972 -6.190 1.00 0.00 N ATOM 1956 CA ILE A 123 -4.839 7.630 -6.340 1.00 0.00 C ATOM 1957 C ILE A 123 -5.270 8.014 -7.749 1.00 0.00 C ATOM 1958 O ILE A 123 -6.050 7.333 -8.385 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.647 8.419 -5.324 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -5.153 8.065 -3.920 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.120 8.057 -5.467 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -5.685 6.687 -3.512 1.00 0.00 C ATOM 0 H ILE A 123 -3.172 8.528 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.001 6.565 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.526 9.489 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -4.063 8.065 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -5.486 8.819 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.705 8.620 -4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.459 8.302 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.251 6.990 -5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -5.329 6.441 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -6.775 6.702 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.330 5.936 -4.218 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.749 9.102 -8.245 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.105 9.537 -9.621 1.00 0.00 C ATOM 1976 C ALA A 124 -4.730 8.427 -10.604 1.00 0.00 C ATOM 1977 O ALA A 124 -5.480 8.095 -11.500 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.334 10.811 -9.971 1.00 0.00 C ATOM 0 H ALA A 124 -4.091 9.708 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.175 9.738 -9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.596 11.129 -10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.593 11.599 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.263 10.614 -9.919 1.00 0.00 H new ATOM 1984 N LYS A 125 -3.570 7.849 -10.441 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.142 6.761 -11.360 1.00 0.00 C ATOM 1986 C LYS A 125 -4.100 5.576 -11.228 1.00 0.00 C ATOM 1987 O LYS A 125 -4.482 4.962 -12.205 1.00 0.00 O ATOM 1988 CB LYS A 125 -1.723 6.313 -10.997 1.00 0.00 C ATOM 1989 CG LYS A 125 -0.743 7.454 -11.274 1.00 0.00 C ATOM 1990 CD LYS A 125 0.654 6.881 -11.518 1.00 0.00 C ATOM 1991 CE LYS A 125 1.430 7.813 -12.452 1.00 0.00 C ATOM 1992 NZ LYS A 125 2.053 7.017 -13.548 1.00 0.00 N ATOM 0 H LYS A 125 -2.901 8.086 -9.709 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.155 7.127 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.678 6.027 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.448 5.433 -11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.070 8.025 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.722 8.143 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.185 6.772 -10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.579 5.887 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.761 8.565 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.199 8.346 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.008 7.381 -13.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.114 6.019 -13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.472 7.095 -14.407 1.00 0.00 H new ATOM 2006 N LEU A 126 -4.494 5.250 -10.027 1.00 0.00 N ATOM 2007 CA LEU A 126 -5.424 4.113 -9.827 1.00 0.00 C ATOM 2008 C LEU A 126 -6.711 4.356 -10.615 1.00 0.00 C ATOM 2009 O LEU A 126 -7.482 3.449 -10.859 1.00 0.00 O ATOM 2010 CB LEU A 126 -5.757 4.017 -8.347 1.00 0.00 C ATOM 2011 CG LEU A 126 -4.791 3.057 -7.650 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.359 3.337 -8.108 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -4.889 3.257 -6.137 1.00 0.00 C ATOM 0 H LEU A 126 -4.207 5.728 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.960 3.189 -10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.695 5.004 -7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.782 3.670 -8.219 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.054 2.030 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.676 2.650 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.288 3.198 -9.187 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.090 4.363 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.203 2.575 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.626 4.285 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.908 3.053 -5.808 1.00 0.00 H new ATOM 2025 N LYS A 127 -6.950 5.572 -11.016 1.00 0.00 N ATOM 2026 CA LYS A 127 -8.172 5.872 -11.787 1.00 0.00 C ATOM 2027 C LYS A 127 -8.183 4.989 -13.030 1.00 0.00 C ATOM 2028 O LYS A 127 -9.127 4.270 -13.290 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.139 7.342 -12.180 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.207 8.207 -10.917 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.513 9.005 -10.906 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.656 9.731 -9.566 1.00 0.00 C ATOM 2033 NZ LYS A 127 -11.046 10.252 -9.427 1.00 0.00 N ATOM 0 H LYS A 127 -6.343 6.372 -10.838 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.069 5.677 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.227 7.561 -12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -8.977 7.573 -12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.148 7.577 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.355 8.886 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.519 9.725 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.361 8.338 -11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.428 9.050 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.941 10.552 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.142 10.745 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.248 10.915 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -11.719 9.460 -9.465 1.00 0.00 H new ATOM 2047 N ARG A 128 -7.126 5.026 -13.790 1.00 0.00 N ATOM 2048 CA ARG A 128 -7.053 4.183 -14.999 1.00 0.00 C ATOM 2049 C ARG A 128 -6.403 2.846 -14.635 1.00 0.00 C ATOM 2050 O ARG A 128 -6.072 2.058 -15.496 1.00 0.00 O ATOM 2051 CB ARG A 128 -6.220 4.883 -16.076 1.00 0.00 C ATOM 2052 CG ARG A 128 -5.101 5.712 -15.442 1.00 0.00 C ATOM 2053 CD ARG A 128 -5.569 7.158 -15.272 1.00 0.00 C ATOM 2054 NE ARG A 128 -4.880 8.019 -16.274 1.00 0.00 N ATOM 2055 CZ ARG A 128 -5.329 9.218 -16.525 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -6.310 9.384 -17.368 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -4.795 10.252 -15.934 1.00 0.00 N ATOM 0 H ARG A 128 -6.307 5.610 -13.619 1.00 0.00 H new ATOM 0 HA ARG A 128 -8.058 4.014 -15.386 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.792 4.142 -16.751 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -6.861 5.528 -16.677 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.826 5.292 -14.475 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.210 5.679 -16.069 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.649 7.221 -15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -5.350 7.507 -14.263 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.056 7.671 -16.764 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.726 8.576 -17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.661 10.321 -17.564 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -4.027 10.123 -15.276 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -5.146 11.189 -16.130 1.00 0.00 H new ATOM 2071 N LEU A 129 -6.215 2.588 -13.360 1.00 0.00 N ATOM 2072 CA LEU A 129 -5.584 1.300 -12.936 1.00 0.00 C ATOM 2073 C LEU A 129 -6.095 0.159 -13.818 1.00 0.00 C ATOM 2074 O LEU A 129 -5.280 -0.641 -14.248 1.00 0.00 O ATOM 2075 CB LEU A 129 -5.951 1.009 -11.479 1.00 0.00 C ATOM 2076 CG LEU A 129 -4.870 0.133 -10.841 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -3.752 1.017 -10.289 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.483 -0.679 -9.696 1.00 0.00 C ATOM 2079 OXT LEU A 129 -7.292 0.106 -14.049 1.00 0.00 O ATOM 0 H LEU A 129 -6.472 3.215 -12.597 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.502 1.381 -13.036 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.050 1.943 -10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -6.917 0.506 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 129 -4.462 -0.542 -11.594 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.984 0.391 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.314 1.599 -11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.160 1.693 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.714 -1.303 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.891 -0.001 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.281 -1.312 -10.085 1.00 0.00 H new TER 2091 LEU A 129