USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot -69:sc= 1.17 USER MOD Set 1.2: A 70 MET CE :methyl -158:sc= -0.0335 (180deg=-0.333) USER MOD Set 2.1: A 11 TYR OH : rot 30:sc= -0.452 USER MOD Set 2.2: A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0851 (180deg=-0.386) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0318 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.2!) USER MOD Single : A 9 CYS SG : rot 87:sc= 0.623 USER MOD Single : A 10 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.068) USER MOD Single : A 13 SER OG : rot -50:sc= 1.12 USER MOD Single : A 15 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.31) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0239 K(o=-0.024,f=-1.3!) USER MOD Single : A 28 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.45) USER MOD Single : A 29 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-3.4) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.046) USER MOD Single : A 43 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.15) USER MOD Single : A 44 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.05 K(o=-2.1,f=-3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 87:sc= 0.713 USER MOD Single : A 67 THR OG1 : rot -34:sc= 0.0349 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -23:sc= 0.874 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 110:sc= -3.48! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.485 -1.643 0.613 1.00 0.00 N ATOM 2 CA MET A 1 1.877 -0.947 -0.607 1.00 0.00 C ATOM 3 C MET A 1 1.320 -1.655 -1.839 1.00 0.00 C ATOM 4 O MET A 1 1.194 -2.879 -1.858 1.00 0.00 O ATOM 5 CB MET A 1 3.401 -0.857 -0.702 1.00 0.00 C ATOM 6 CG MET A 1 3.888 0.182 -1.699 1.00 0.00 C ATOM 7 SD MET A 1 5.640 0.561 -1.507 1.00 0.00 S ATOM 8 CE MET A 1 5.579 2.337 -1.281 1.00 0.00 C ATOM 0 H1 MET A 1 2.278 -1.637 1.286 1.00 0.00 H new ATOM 0 H2 MET A 1 0.666 -1.164 1.038 1.00 0.00 H new ATOM 0 H3 MET A 1 1.231 -2.626 0.386 1.00 0.00 H new ATOM 0 HA MET A 1 1.463 0.061 -0.570 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.805 -0.621 0.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.797 -1.833 -0.984 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.707 -0.179 -2.711 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.307 1.096 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.529 2.775 -1.586 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.776 2.754 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.395 2.564 -0.231 1.00 0.00 H new ATOM 18 N ASP A 2 0.988 -0.877 -2.863 1.00 0.00 N ATOM 19 CA ASP A 2 0.445 -1.430 -4.098 1.00 0.00 C ATOM 20 C ASP A 2 1.556 -2.012 -4.967 1.00 0.00 C ATOM 21 O ASP A 2 2.684 -1.520 -4.962 1.00 0.00 O ATOM 22 CB ASP A 2 -0.314 -0.352 -4.874 1.00 0.00 C ATOM 23 CG ASP A 2 -1.453 -0.924 -5.695 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.398 -1.478 -5.095 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.399 -0.817 -6.938 1.00 0.00 O ATOM 0 H ASP A 2 1.085 0.138 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.245 -2.232 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.708 0.385 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.378 0.172 -5.533 1.00 0.00 H new ATOM 30 N ASN A 3 1.229 -3.064 -5.711 1.00 0.00 N ATOM 31 CA ASN A 3 2.199 -3.715 -6.584 1.00 0.00 C ATOM 32 C ASN A 3 2.719 -2.743 -7.639 1.00 0.00 C ATOM 33 O ASN A 3 3.921 -2.674 -7.895 1.00 0.00 O ATOM 34 CB ASN A 3 1.570 -4.933 -7.262 1.00 0.00 C ATOM 35 CG ASN A 3 0.322 -4.577 -8.048 1.00 0.00 C ATOM 36 OD1 ASN A 3 -0.727 -4.291 -7.471 1.00 0.00 O ATOM 37 ND2 ASN A 3 0.432 -4.594 -9.371 1.00 0.00 N ATOM 0 H ASN A 3 0.300 -3.484 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 3 3.039 -4.043 -5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.299 -5.390 -7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.320 -5.678 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.374 -4.364 -9.953 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.322 -4.837 -9.806 1.00 0.00 H new ATOM 44 N ARG A 4 1.805 -1.995 -8.247 1.00 0.00 N ATOM 45 CA ARG A 4 2.171 -1.027 -9.275 1.00 0.00 C ATOM 46 C ARG A 4 3.141 0.013 -8.722 1.00 0.00 C ATOM 47 O ARG A 4 4.173 0.299 -9.328 1.00 0.00 O ATOM 48 CB ARG A 4 0.921 -0.335 -9.822 1.00 0.00 C ATOM 49 CG ARG A 4 -0.079 -1.292 -10.450 1.00 0.00 C ATOM 50 CD ARG A 4 0.399 -1.788 -11.806 1.00 0.00 C ATOM 51 NE ARG A 4 -0.327 -2.978 -12.240 1.00 0.00 N ATOM 52 CZ ARG A 4 -1.553 -2.946 -12.749 1.00 0.00 C ATOM 53 NH1 ARG A 4 -2.187 -1.790 -12.887 1.00 0.00 N ATOM 54 NH2 ARG A 4 -2.148 -4.072 -13.122 1.00 0.00 N ATOM 0 H ARG A 4 0.806 -2.040 -8.046 1.00 0.00 H new ATOM 0 HA ARG A 4 2.664 -1.564 -10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.433 0.208 -9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.221 0.403 -10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.237 -2.142 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.041 -0.792 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.274 -0.997 -12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.465 -2.012 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 4 0.133 -3.884 -12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.733 -0.922 -12.602 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.129 -1.768 -13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.664 -4.964 -13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.090 -4.046 -13.513 1.00 0.00 H new ATOM 68 N VAL A 5 2.801 0.576 -7.567 1.00 0.00 N ATOM 69 CA VAL A 5 3.641 1.585 -6.932 1.00 0.00 C ATOM 70 C VAL A 5 4.984 0.997 -6.513 1.00 0.00 C ATOM 71 O VAL A 5 6.022 1.648 -6.630 1.00 0.00 O ATOM 72 CB VAL A 5 2.951 2.192 -5.696 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.782 3.332 -5.127 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.550 2.668 -6.049 1.00 0.00 C ATOM 0 H VAL A 5 1.950 0.351 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 5 3.806 2.370 -7.670 1.00 0.00 H new ATOM 0 HB VAL A 5 2.866 1.419 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.279 3.749 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.763 2.957 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.900 4.108 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.077 3.094 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.609 3.426 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.959 1.825 -6.406 1.00 0.00 H new ATOM 84 N ARG A 6 4.956 -0.239 -6.025 1.00 0.00 N ATOM 85 CA ARG A 6 6.171 -0.915 -5.587 1.00 0.00 C ATOM 86 C ARG A 6 7.081 -1.219 -6.774 1.00 0.00 C ATOM 87 O ARG A 6 8.305 -1.173 -6.657 1.00 0.00 O ATOM 88 CB ARG A 6 5.823 -2.211 -4.853 1.00 0.00 C ATOM 89 CG ARG A 6 6.835 -2.598 -3.787 1.00 0.00 C ATOM 90 CD ARG A 6 6.159 -3.230 -2.580 1.00 0.00 C ATOM 91 NE ARG A 6 5.938 -4.662 -2.763 1.00 0.00 N ATOM 92 CZ ARG A 6 5.193 -5.400 -1.949 1.00 0.00 C ATOM 93 NH1 ARG A 6 4.599 -4.844 -0.902 1.00 0.00 N ATOM 94 NH2 ARG A 6 5.039 -6.697 -2.182 1.00 0.00 N ATOM 0 H ARG A 6 4.105 -0.792 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 6 6.701 -0.250 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.842 -2.104 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.745 -3.020 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.559 -3.296 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.390 -1.714 -3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.774 -3.068 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.204 -2.736 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 6 6.380 -5.120 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.714 -3.847 -0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.027 -5.413 -0.278 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.493 -7.128 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.466 -7.263 -1.556 1.00 0.00 H new ATOM 108 N GLU A 7 6.474 -1.530 -7.915 1.00 0.00 N ATOM 109 CA GLU A 7 7.230 -1.843 -9.122 1.00 0.00 C ATOM 110 C GLU A 7 8.064 -0.645 -9.567 1.00 0.00 C ATOM 111 O GLU A 7 9.193 -0.799 -10.032 1.00 0.00 O ATOM 112 CB GLU A 7 6.285 -2.266 -10.248 1.00 0.00 C ATOM 113 CG GLU A 7 6.877 -3.310 -11.179 1.00 0.00 C ATOM 114 CD GLU A 7 6.606 -4.728 -10.715 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.548 -5.280 -11.084 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.450 -5.285 -9.984 1.00 0.00 O ATOM 0 H GLU A 7 5.461 -1.572 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 7 7.904 -2.669 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.367 -2.659 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.010 -1.386 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.465 -3.174 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.953 -3.156 -11.254 1.00 0.00 H new ATOM 123 N ALA A 8 7.499 0.549 -9.420 1.00 0.00 N ATOM 124 CA ALA A 8 8.190 1.774 -9.805 1.00 0.00 C ATOM 125 C ALA A 8 9.506 1.923 -9.048 1.00 0.00 C ATOM 126 O ALA A 8 10.496 2.409 -9.596 1.00 0.00 O ATOM 127 CB ALA A 8 7.299 2.982 -9.560 1.00 0.00 C ATOM 0 H ALA A 8 6.565 0.694 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 8 8.418 1.714 -10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.828 3.889 -9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.387 2.887 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.042 3.036 -8.502 1.00 0.00 H new ATOM 133 N CYS A 9 9.509 1.502 -7.788 1.00 0.00 N ATOM 134 CA CYS A 9 10.704 1.590 -6.956 1.00 0.00 C ATOM 135 C CYS A 9 11.850 0.787 -7.562 1.00 0.00 C ATOM 136 O CYS A 9 13.015 1.167 -7.449 1.00 0.00 O ATOM 137 CB CYS A 9 10.404 1.088 -5.543 1.00 0.00 C ATOM 138 SG CYS A 9 11.859 0.980 -4.474 1.00 0.00 S ATOM 0 H CYS A 9 8.698 1.097 -7.320 1.00 0.00 H new ATOM 0 HA CYS A 9 11.006 2.636 -6.906 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.675 1.753 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.941 0.103 -5.609 1.00 0.00 H new ATOM 0 HG CYS A 9 12.058 2.127 -3.895 1.00 0.00 H new ATOM 144 N GLN A 10 11.510 -0.326 -8.205 1.00 0.00 N ATOM 145 CA GLN A 10 12.511 -1.184 -8.827 1.00 0.00 C ATOM 146 C GLN A 10 13.248 -0.444 -9.938 1.00 0.00 C ATOM 147 O GLN A 10 14.471 -0.538 -10.055 1.00 0.00 O ATOM 148 CB GLN A 10 11.854 -2.447 -9.388 1.00 0.00 C ATOM 149 CG GLN A 10 12.841 -3.421 -10.012 1.00 0.00 C ATOM 150 CD GLN A 10 13.993 -3.756 -9.086 1.00 0.00 C ATOM 151 OE1 GLN A 10 14.931 -2.973 -8.934 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.929 -4.926 -8.460 1.00 0.00 N ATOM 0 H GLN A 10 10.550 -0.654 -8.309 1.00 0.00 H new ATOM 0 HA GLN A 10 13.234 -1.468 -8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.315 -2.952 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.116 -2.160 -10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.319 -4.339 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.234 -2.994 -10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.133 -5.545 -8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.676 -5.206 -7.824 1.00 0.00 H new ATOM 161 N TYR A 11 12.498 0.292 -10.751 1.00 0.00 N ATOM 162 CA TYR A 11 13.080 1.046 -11.854 1.00 0.00 C ATOM 163 C TYR A 11 13.912 2.215 -11.336 1.00 0.00 C ATOM 164 O TYR A 11 15.046 2.425 -11.769 1.00 0.00 O ATOM 165 CB TYR A 11 11.980 1.561 -12.784 1.00 0.00 C ATOM 166 CG TYR A 11 12.482 2.514 -13.846 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.431 2.111 -14.777 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.005 3.817 -13.918 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.892 2.979 -15.748 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.459 4.691 -14.887 1.00 0.00 C ATOM 171 CZ TYR A 11 13.403 4.267 -15.799 1.00 0.00 C ATOM 172 OH TYR A 11 13.859 5.134 -16.766 1.00 0.00 O ATOM 0 H TYR A 11 11.486 0.382 -10.666 1.00 0.00 H new ATOM 0 HA TYR A 11 13.735 0.377 -12.412 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.498 0.712 -13.268 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.218 2.063 -12.188 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.815 1.102 -14.741 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.267 4.152 -13.204 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.631 2.650 -16.463 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.077 5.700 -14.930 1.00 0.00 H new ATOM 0 HH TYR A 11 14.110 4.628 -17.567 1.00 0.00 H new ATOM 182 N ILE A 12 13.341 2.972 -10.405 1.00 0.00 N ATOM 183 CA ILE A 12 14.030 4.119 -9.826 1.00 0.00 C ATOM 184 C ILE A 12 15.310 3.691 -9.116 1.00 0.00 C ATOM 185 O ILE A 12 16.324 4.386 -9.170 1.00 0.00 O ATOM 186 CB ILE A 12 13.129 4.870 -8.827 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.840 5.326 -9.513 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.871 6.061 -8.237 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.783 5.816 -8.548 1.00 0.00 C ATOM 0 H ILE A 12 12.404 2.812 -10.036 1.00 0.00 H new ATOM 0 HA ILE A 12 14.281 4.786 -10.651 1.00 0.00 H new ATOM 0 HB ILE A 12 12.866 4.191 -8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.075 6.124 -10.217 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.434 4.498 -10.094 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.222 6.582 -7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.764 5.713 -7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.159 6.743 -9.037 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.897 6.123 -9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.519 5.014 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.170 6.665 -7.985 1.00 0.00 H new ATOM 201 N SER A 13 15.255 2.540 -8.453 1.00 0.00 N ATOM 202 CA SER A 13 16.410 2.019 -7.731 1.00 0.00 C ATOM 203 C SER A 13 17.580 1.776 -8.679 1.00 0.00 C ATOM 204 O SER A 13 18.728 2.083 -8.358 1.00 0.00 O ATOM 205 CB SER A 13 16.044 0.719 -7.011 1.00 0.00 C ATOM 206 OG SER A 13 15.952 -0.361 -7.924 1.00 0.00 O ATOM 0 H SER A 13 14.424 1.951 -8.401 1.00 0.00 H new ATOM 0 HA SER A 13 16.711 2.763 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.795 0.496 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.094 0.842 -6.492 1.00 0.00 H new ATOM 0 HG SER A 13 15.384 -0.103 -8.680 1.00 0.00 H new ATOM 212 N ASP A 14 17.280 1.223 -9.849 1.00 0.00 N ATOM 213 CA ASP A 14 18.305 0.939 -10.847 1.00 0.00 C ATOM 214 C ASP A 14 18.893 2.232 -11.404 1.00 0.00 C ATOM 215 O ASP A 14 20.086 2.305 -11.703 1.00 0.00 O ATOM 216 CB ASP A 14 17.722 0.098 -11.983 1.00 0.00 C ATOM 217 CG ASP A 14 17.836 -1.391 -11.718 1.00 0.00 C ATOM 218 OD1 ASP A 14 18.188 -1.766 -10.580 1.00 0.00 O ATOM 219 OD2 ASP A 14 17.571 -2.180 -12.649 1.00 0.00 O ATOM 0 H ASP A 14 16.335 0.962 -10.130 1.00 0.00 H new ATOM 0 HA ASP A 14 19.103 0.377 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.673 0.360 -12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.238 0.339 -12.912 1.00 0.00 H new ATOM 224 N HIS A 15 18.049 3.249 -11.542 1.00 0.00 N ATOM 225 CA HIS A 15 18.485 4.539 -12.064 1.00 0.00 C ATOM 226 C HIS A 15 18.855 5.488 -10.928 1.00 0.00 C ATOM 227 O HIS A 15 18.930 6.703 -11.119 1.00 0.00 O ATOM 228 CB HIS A 15 17.387 5.162 -12.927 1.00 0.00 C ATOM 229 CG HIS A 15 17.345 4.622 -14.324 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.687 5.370 -15.430 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.000 3.399 -14.790 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.553 4.631 -16.517 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.137 3.431 -16.156 1.00 0.00 N ATOM 0 H HIS A 15 17.059 3.205 -11.300 1.00 0.00 H new ATOM 0 HA HIS A 15 19.370 4.374 -12.679 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.421 4.991 -12.451 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.536 6.241 -12.968 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.677 2.555 -14.198 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.750 4.954 -17.529 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.948 2.654 -16.789 1.00 0.00 H new ATOM 241 N LEU A 16 19.086 4.927 -9.746 1.00 0.00 N ATOM 242 CA LEU A 16 19.447 5.723 -8.579 1.00 0.00 C ATOM 243 C LEU A 16 20.738 6.497 -8.826 1.00 0.00 C ATOM 244 O LEU A 16 20.950 7.568 -8.257 1.00 0.00 O ATOM 245 CB LEU A 16 19.605 4.823 -7.352 1.00 0.00 C ATOM 246 CG LEU A 16 19.660 5.535 -6.000 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.407 6.370 -5.785 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.831 4.527 -4.873 1.00 0.00 C ATOM 0 H LEU A 16 19.030 3.924 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 16 18.645 6.439 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.775 4.117 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.518 4.239 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 16 20.522 6.203 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.464 6.869 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.328 7.117 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.530 5.723 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.868 5.052 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 16 18.990 3.834 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.758 3.972 -5.019 1.00 0.00 H new ATOM 260 N ALA A 17 21.597 5.949 -9.679 1.00 0.00 N ATOM 261 CA ALA A 17 22.865 6.589 -10.005 1.00 0.00 C ATOM 262 C ALA A 17 22.740 7.448 -11.259 1.00 0.00 C ATOM 263 O ALA A 17 23.545 8.350 -11.488 1.00 0.00 O ATOM 264 CB ALA A 17 23.954 5.542 -10.186 1.00 0.00 C ATOM 0 H ALA A 17 21.437 5.062 -10.157 1.00 0.00 H new ATOM 0 HA ALA A 17 23.138 7.241 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.895 6.035 -10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.069 4.974 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.678 4.866 -10.996 1.00 0.00 H new ATOM 270 N ASP A 18 21.726 7.160 -12.068 1.00 0.00 N ATOM 271 CA ASP A 18 21.496 7.907 -13.300 1.00 0.00 C ATOM 272 C ASP A 18 21.215 9.376 -13.000 1.00 0.00 C ATOM 273 O ASP A 18 20.578 9.705 -11.999 1.00 0.00 O ATOM 274 CB ASP A 18 20.327 7.300 -14.078 1.00 0.00 C ATOM 275 CG ASP A 18 20.484 7.462 -15.577 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.161 8.552 -16.093 1.00 0.00 O ATOM 277 OD2 ASP A 18 20.929 6.497 -16.235 1.00 0.00 O ATOM 0 H ASP A 18 21.051 6.416 -11.893 1.00 0.00 H new ATOM 0 HA ASP A 18 22.399 7.845 -13.908 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.245 6.240 -13.837 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.398 7.773 -13.760 1.00 0.00 H new ATOM 282 N SER A 19 21.696 10.255 -13.873 1.00 0.00 N ATOM 283 CA SER A 19 21.501 11.690 -13.699 1.00 0.00 C ATOM 284 C SER A 19 20.184 12.139 -14.325 1.00 0.00 C ATOM 285 O SER A 19 19.374 12.805 -13.682 1.00 0.00 O ATOM 286 CB SER A 19 22.665 12.463 -14.322 1.00 0.00 C ATOM 287 OG SER A 19 23.911 11.965 -13.866 1.00 0.00 O ATOM 0 H SER A 19 22.223 9.999 -14.708 1.00 0.00 H new ATOM 0 HA SER A 19 21.465 11.900 -12.630 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.615 12.388 -15.408 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.579 13.520 -14.071 1.00 0.00 H new ATOM 0 HG SER A 19 24.638 12.475 -14.280 1.00 0.00 H new ATOM 293 N ASN A 20 19.979 11.769 -15.585 1.00 0.00 N ATOM 294 CA ASN A 20 18.761 12.134 -16.300 1.00 0.00 C ATOM 295 C ASN A 20 17.616 11.192 -15.939 1.00 0.00 C ATOM 296 O ASN A 20 17.513 10.089 -16.476 1.00 0.00 O ATOM 297 CB ASN A 20 19.003 12.106 -17.810 1.00 0.00 C ATOM 298 CG ASN A 20 19.818 13.292 -18.288 1.00 0.00 C ATOM 299 OD1 ASN A 20 19.768 14.372 -17.697 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.574 13.097 -19.362 1.00 0.00 N ATOM 0 H ASN A 20 20.640 11.217 -16.132 1.00 0.00 H new ATOM 0 HA ASN A 20 18.484 13.145 -16.003 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.519 11.183 -18.075 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.044 12.095 -18.329 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.144 13.859 -19.729 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.584 12.185 -19.820 1.00 0.00 H new ATOM 307 N PHE A 21 16.757 11.636 -15.028 1.00 0.00 N ATOM 308 CA PHE A 21 15.619 10.833 -14.595 1.00 0.00 C ATOM 309 C PHE A 21 14.329 11.322 -15.247 1.00 0.00 C ATOM 310 O PHE A 21 14.022 12.514 -15.222 1.00 0.00 O ATOM 311 CB PHE A 21 15.484 10.881 -13.071 1.00 0.00 C ATOM 312 CG PHE A 21 14.220 10.250 -12.561 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.802 9.019 -13.041 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.450 10.888 -11.603 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.640 8.436 -12.573 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.287 10.310 -11.131 1.00 0.00 C ATOM 317 CZ PHE A 21 11.881 9.082 -11.618 1.00 0.00 C ATOM 0 H PHE A 21 16.827 12.547 -14.575 1.00 0.00 H new ATOM 0 HA PHE A 21 15.794 9.803 -14.905 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.339 10.376 -12.622 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.520 11.920 -12.744 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.391 8.510 -13.789 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.762 11.848 -11.220 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.326 7.476 -12.954 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.696 10.817 -10.383 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.972 8.629 -11.252 1.00 0.00 H new ATOM 327 N ASP A 22 13.579 10.393 -15.829 1.00 0.00 N ATOM 328 CA ASP A 22 12.322 10.728 -16.487 1.00 0.00 C ATOM 329 C ASP A 22 11.144 10.062 -15.782 1.00 0.00 C ATOM 330 O ASP A 22 11.085 8.837 -15.675 1.00 0.00 O ATOM 331 CB ASP A 22 12.360 10.301 -17.955 1.00 0.00 C ATOM 332 CG ASP A 22 11.666 11.294 -18.866 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.442 11.488 -18.710 1.00 0.00 O ATOM 334 OD2 ASP A 22 12.347 11.879 -19.734 1.00 0.00 O ATOM 0 H ASP A 22 13.820 9.402 -15.858 1.00 0.00 H new ATOM 0 HA ASP A 22 12.190 11.809 -16.434 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.397 10.187 -18.270 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.886 9.325 -18.059 1.00 0.00 H new ATOM 339 N ILE A 23 10.211 10.877 -15.301 1.00 0.00 N ATOM 340 CA ILE A 23 9.037 10.366 -14.606 1.00 0.00 C ATOM 341 C ILE A 23 8.187 9.498 -15.527 1.00 0.00 C ATOM 342 O ILE A 23 7.494 8.588 -15.074 1.00 0.00 O ATOM 343 CB ILE A 23 8.168 11.511 -14.052 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.110 10.961 -13.093 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.511 12.276 -15.192 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.222 12.029 -12.496 1.00 0.00 C ATOM 0 H ILE A 23 10.246 11.893 -15.380 1.00 0.00 H new ATOM 0 HA ILE A 23 9.401 9.762 -13.775 1.00 0.00 H new ATOM 0 HB ILE A 23 8.809 12.199 -13.500 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.490 10.239 -13.625 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.607 10.421 -12.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.900 13.082 -14.785 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.281 12.696 -15.840 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.881 11.599 -15.769 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.496 11.567 -11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.832 12.738 -11.936 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.697 12.553 -13.294 1.00 0.00 H new ATOM 358 N ALA A 24 8.247 9.785 -16.823 1.00 0.00 N ATOM 359 CA ALA A 24 7.485 9.029 -17.810 1.00 0.00 C ATOM 360 C ALA A 24 7.858 7.551 -17.775 1.00 0.00 C ATOM 361 O ALA A 24 6.993 6.680 -17.868 1.00 0.00 O ATOM 362 CB ALA A 24 7.712 9.599 -19.202 1.00 0.00 C ATOM 0 H ALA A 24 8.816 10.536 -17.214 1.00 0.00 H new ATOM 0 HA ALA A 24 6.427 9.117 -17.562 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.137 9.025 -19.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.390 10.640 -19.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.772 9.541 -19.451 1.00 0.00 H new ATOM 368 N SER A 25 9.152 7.274 -17.640 1.00 0.00 N ATOM 369 CA SER A 25 9.639 5.901 -17.597 1.00 0.00 C ATOM 370 C SER A 25 9.080 5.163 -16.384 1.00 0.00 C ATOM 371 O SER A 25 8.876 3.949 -16.421 1.00 0.00 O ATOM 372 CB SER A 25 11.169 5.881 -17.559 1.00 0.00 C ATOM 373 OG SER A 25 11.715 6.454 -18.734 1.00 0.00 O ATOM 0 H SER A 25 9.881 7.983 -17.559 1.00 0.00 H new ATOM 0 HA SER A 25 9.298 5.393 -18.499 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.522 6.429 -16.685 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.520 4.854 -17.454 1.00 0.00 H new ATOM 0 HG SER A 25 12.680 6.578 -18.620 1.00 0.00 H new ATOM 379 N VAL A 26 8.833 5.906 -15.310 1.00 0.00 N ATOM 380 CA VAL A 26 8.296 5.324 -14.085 1.00 0.00 C ATOM 381 C VAL A 26 6.875 4.814 -14.296 1.00 0.00 C ATOM 382 O VAL A 26 6.550 3.684 -13.934 1.00 0.00 O ATOM 383 CB VAL A 26 8.298 6.344 -12.932 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.781 5.704 -11.652 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.694 6.914 -12.727 1.00 0.00 C ATOM 0 H VAL A 26 8.996 6.912 -15.263 1.00 0.00 H new ATOM 0 HA VAL A 26 8.943 4.488 -13.821 1.00 0.00 H new ATOM 0 HB VAL A 26 7.631 7.165 -13.195 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.790 6.440 -10.848 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.762 5.349 -11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.420 4.864 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.677 7.633 -11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.385 6.106 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.022 7.411 -13.640 1.00 0.00 H new ATOM 395 N ALA A 27 6.032 5.656 -14.885 1.00 0.00 N ATOM 396 CA ALA A 27 4.646 5.290 -15.147 1.00 0.00 C ATOM 397 C ALA A 27 4.558 4.185 -16.195 1.00 0.00 C ATOM 398 O ALA A 27 3.765 3.253 -16.062 1.00 0.00 O ATOM 399 CB ALA A 27 3.853 6.509 -15.596 1.00 0.00 C ATOM 0 H ALA A 27 6.285 6.596 -15.190 1.00 0.00 H new ATOM 0 HA ALA A 27 4.216 4.911 -14.220 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.820 6.220 -15.788 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.878 7.268 -14.814 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.292 6.913 -16.508 1.00 0.00 H new ATOM 405 N GLN A 28 5.378 4.296 -17.235 1.00 0.00 N ATOM 406 CA GLN A 28 5.391 3.307 -18.306 1.00 0.00 C ATOM 407 C GLN A 28 5.804 1.937 -17.777 1.00 0.00 C ATOM 408 O GLN A 28 5.286 0.909 -18.213 1.00 0.00 O ATOM 409 CB GLN A 28 6.341 3.744 -19.422 1.00 0.00 C ATOM 410 CG GLN A 28 6.559 2.682 -20.487 1.00 0.00 C ATOM 411 CD GLN A 28 5.263 2.218 -21.122 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.333 3.003 -21.307 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.194 0.935 -21.459 1.00 0.00 N ATOM 0 H GLN A 28 6.042 5.061 -17.359 1.00 0.00 H new ATOM 0 HA GLN A 28 4.381 3.231 -18.708 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.945 4.643 -19.894 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.303 4.011 -18.985 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.217 3.078 -21.261 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.068 1.827 -20.043 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.989 0.319 -21.288 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.346 0.566 -21.889 1.00 0.00 H new ATOM 422 N HIS A 29 6.742 1.931 -16.835 1.00 0.00 N ATOM 423 CA HIS A 29 7.226 0.687 -16.246 1.00 0.00 C ATOM 424 C HIS A 29 6.079 -0.097 -15.615 1.00 0.00 C ATOM 425 O HIS A 29 6.067 -1.328 -15.641 1.00 0.00 O ATOM 426 CB HIS A 29 8.298 0.979 -15.195 1.00 0.00 C ATOM 427 CG HIS A 29 8.660 -0.212 -14.363 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.745 -1.490 -14.874 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.961 -0.314 -13.047 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.081 -2.326 -13.908 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.219 -1.637 -12.789 1.00 0.00 N ATOM 0 H HIS A 29 7.182 2.773 -16.463 1.00 0.00 H new ATOM 0 HA HIS A 29 7.662 0.083 -17.041 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.194 1.349 -15.694 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.946 1.776 -14.540 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.575 -1.749 -15.846 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.992 0.496 -12.333 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.219 -3.392 -14.015 1.00 0.00 H new ATOM 439 N VAL A 30 5.116 0.624 -15.049 1.00 0.00 N ATOM 440 CA VAL A 30 3.965 -0.004 -14.412 1.00 0.00 C ATOM 441 C VAL A 30 2.775 -0.064 -15.364 1.00 0.00 C ATOM 442 O VAL A 30 1.638 -0.273 -14.940 1.00 0.00 O ATOM 443 CB VAL A 30 3.549 0.750 -13.135 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.694 0.776 -12.134 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.094 2.161 -13.474 1.00 0.00 C ATOM 0 H VAL A 30 5.110 1.644 -15.019 1.00 0.00 H new ATOM 0 HA VAL A 30 4.265 -1.017 -14.145 1.00 0.00 H new ATOM 0 HB VAL A 30 2.711 0.223 -12.679 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.382 1.313 -11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.968 -0.245 -11.868 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.553 1.279 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.804 2.679 -12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.910 2.701 -13.954 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.241 2.115 -14.152 1.00 0.00 H new ATOM 455 N CYS A 31 3.045 0.120 -16.651 1.00 0.00 N ATOM 456 CA CYS A 31 1.996 0.088 -17.664 1.00 0.00 C ATOM 457 C CYS A 31 0.846 1.015 -17.286 1.00 0.00 C ATOM 458 O CYS A 31 -0.323 0.691 -17.503 1.00 0.00 O ATOM 459 CB CYS A 31 1.478 -1.340 -17.846 1.00 0.00 C ATOM 460 SG CYS A 31 2.688 -2.479 -18.560 1.00 0.00 S ATOM 0 H CYS A 31 3.981 0.293 -17.018 1.00 0.00 H new ATOM 0 HA CYS A 31 2.423 0.435 -18.605 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.159 -1.726 -16.878 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.596 -1.316 -18.486 1.00 0.00 H new ATOM 0 HG CYS A 31 2.158 -3.661 -18.673 1.00 0.00 H new ATOM 466 N LEU A 32 1.184 2.167 -16.719 1.00 0.00 N ATOM 467 CA LEU A 32 0.179 3.142 -16.308 1.00 0.00 C ATOM 468 C LEU A 32 0.647 4.563 -16.601 1.00 0.00 C ATOM 469 O LEU A 32 1.832 4.802 -16.832 1.00 0.00 O ATOM 470 CB LEU A 32 -0.127 2.991 -14.817 1.00 0.00 C ATOM 471 CG LEU A 32 -1.540 3.378 -14.379 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.573 2.498 -15.067 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.676 3.281 -12.867 1.00 0.00 C ATOM 0 H LEU A 32 2.146 2.450 -16.533 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.729 2.953 -16.880 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.048 1.953 -14.534 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.584 3.598 -14.257 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.720 4.412 -14.674 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.572 2.788 -14.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.493 2.619 -16.147 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.395 1.455 -14.805 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.688 3.560 -12.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.475 2.258 -12.548 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.962 3.955 -12.393 1.00 0.00 H new ATOM 485 N SER A 33 -0.291 5.505 -16.588 1.00 0.00 N ATOM 486 CA SER A 33 0.025 6.903 -16.854 1.00 0.00 C ATOM 487 C SER A 33 0.785 7.520 -15.684 1.00 0.00 C ATOM 488 O SER A 33 0.752 7.024 -14.558 1.00 0.00 O ATOM 489 CB SER A 33 -1.256 7.696 -17.119 1.00 0.00 C ATOM 490 OG SER A 33 -1.597 7.669 -18.495 1.00 0.00 O ATOM 0 H SER A 33 -1.276 5.325 -16.396 1.00 0.00 H new ATOM 0 HA SER A 33 0.659 6.944 -17.739 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.073 7.280 -16.530 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.122 8.728 -16.794 1.00 0.00 H new ATOM 0 HG SER A 33 -2.420 8.181 -18.638 1.00 0.00 H new ATOM 496 N PRO A 34 1.488 8.630 -15.956 1.00 0.00 N ATOM 497 CA PRO A 34 2.271 9.340 -14.939 1.00 0.00 C ATOM 498 C PRO A 34 1.387 10.034 -13.908 1.00 0.00 C ATOM 499 O PRO A 34 1.696 10.041 -12.717 1.00 0.00 O ATOM 500 CB PRO A 34 3.055 10.372 -15.753 1.00 0.00 C ATOM 501 CG PRO A 34 2.234 10.594 -16.976 1.00 0.00 C ATOM 502 CD PRO A 34 1.574 9.277 -17.276 1.00 0.00 C ATOM 0 HA PRO A 34 2.902 8.663 -14.363 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.190 11.298 -15.194 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.050 10.004 -16.005 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.491 11.374 -16.811 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.856 10.918 -17.810 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.589 9.414 -17.722 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.161 8.684 -17.977 1.00 0.00 H new ATOM 510 N SER A 35 0.287 10.617 -14.375 1.00 0.00 N ATOM 511 CA SER A 35 -0.639 11.317 -13.493 1.00 0.00 C ATOM 512 C SER A 35 -1.342 10.338 -12.556 1.00 0.00 C ATOM 513 O SER A 35 -1.435 10.574 -11.351 1.00 0.00 O ATOM 514 CB SER A 35 -1.675 12.087 -14.314 1.00 0.00 C ATOM 515 OG SER A 35 -1.097 13.228 -14.924 1.00 0.00 O ATOM 0 H SER A 35 0.016 10.618 -15.358 1.00 0.00 H new ATOM 0 HA SER A 35 -0.066 12.022 -12.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.094 11.435 -15.080 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.499 12.393 -13.670 1.00 0.00 H new ATOM 0 HG SER A 35 -1.779 13.702 -15.444 1.00 0.00 H new ATOM 521 N ARG A 36 -1.834 9.240 -13.119 1.00 0.00 N ATOM 522 CA ARG A 36 -2.530 8.226 -12.336 1.00 0.00 C ATOM 523 C ARG A 36 -1.592 7.591 -11.314 1.00 0.00 C ATOM 524 O ARG A 36 -1.956 7.406 -10.151 1.00 0.00 O ATOM 525 CB ARG A 36 -3.106 7.147 -13.255 1.00 0.00 C ATOM 526 CG ARG A 36 -4.100 6.227 -12.566 1.00 0.00 C ATOM 527 CD ARG A 36 -5.456 6.896 -12.402 1.00 0.00 C ATOM 528 NE ARG A 36 -5.518 7.722 -11.199 1.00 0.00 N ATOM 529 CZ ARG A 36 -6.487 8.597 -10.957 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.471 8.759 -11.831 1.00 0.00 N ATOM 531 NH2 ARG A 36 -6.474 9.312 -9.840 1.00 0.00 N ATOM 0 H ARG A 36 -1.764 9.029 -14.115 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.347 8.712 -11.802 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.595 7.627 -14.103 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.288 6.549 -13.656 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.213 5.311 -13.146 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.714 5.939 -11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.664 7.513 -13.276 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.233 6.133 -12.358 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.776 7.621 -10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.485 8.211 -12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.214 9.432 -11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.719 9.190 -9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.219 9.984 -9.656 1.00 0.00 H new ATOM 545 N LEU A 37 -0.384 7.257 -11.754 1.00 0.00 N ATOM 546 CA LEU A 37 0.607 6.642 -10.878 1.00 0.00 C ATOM 547 C LEU A 37 1.085 7.629 -9.818 1.00 0.00 C ATOM 548 O LEU A 37 1.197 7.286 -8.641 1.00 0.00 O ATOM 549 CB LEU A 37 1.798 6.138 -11.697 1.00 0.00 C ATOM 550 CG LEU A 37 2.963 5.555 -10.897 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.656 4.129 -10.468 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.247 5.604 -11.713 1.00 0.00 C ATOM 0 H LEU A 37 -0.067 7.402 -12.713 1.00 0.00 H new ATOM 0 HA LEU A 37 0.136 5.797 -10.375 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.441 5.375 -12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.175 6.964 -12.300 1.00 0.00 H new ATOM 0 HG LEU A 37 3.102 6.160 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.497 3.731 -9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.761 4.121 -9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.490 3.511 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.066 5.185 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.120 5.024 -12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.476 6.638 -11.969 1.00 0.00 H new ATOM 564 N SER A 38 1.365 8.857 -10.244 1.00 0.00 N ATOM 565 CA SER A 38 1.832 9.894 -9.332 1.00 0.00 C ATOM 566 C SER A 38 0.798 10.167 -8.243 1.00 0.00 C ATOM 567 O SER A 38 1.146 10.400 -7.085 1.00 0.00 O ATOM 568 CB SER A 38 2.131 11.183 -10.101 1.00 0.00 C ATOM 569 OG SER A 38 2.703 12.163 -9.252 1.00 0.00 O ATOM 0 H SER A 38 1.276 9.158 -11.215 1.00 0.00 H new ATOM 0 HA SER A 38 2.748 9.540 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.812 10.969 -10.925 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.211 11.570 -10.540 1.00 0.00 H new ATOM 0 HG SER A 38 2.886 12.976 -9.768 1.00 0.00 H new ATOM 575 N HIS A 39 -0.475 10.136 -8.624 1.00 0.00 N ATOM 576 CA HIS A 39 -1.561 10.379 -7.681 1.00 0.00 C ATOM 577 C HIS A 39 -1.532 9.361 -6.545 1.00 0.00 C ATOM 578 O HIS A 39 -1.600 9.725 -5.370 1.00 0.00 O ATOM 579 CB HIS A 39 -2.910 10.321 -8.399 1.00 0.00 C ATOM 580 CG HIS A 39 -4.078 10.587 -7.500 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.790 11.768 -7.521 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.660 9.816 -6.552 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.757 11.713 -6.623 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.700 10.538 -6.022 1.00 0.00 N ATOM 0 H HIS A 39 -0.780 9.945 -9.578 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.426 11.374 -7.257 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.913 11.050 -9.210 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.028 9.338 -8.854 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.362 8.818 -6.266 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.472 12.495 -6.415 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.327 10.219 -5.284 1.00 0.00 H new ATOM 592 N LEU A 40 -1.431 8.086 -6.902 1.00 0.00 N ATOM 593 CA LEU A 40 -1.394 7.015 -5.912 1.00 0.00 C ATOM 594 C LEU A 40 -0.063 7.008 -5.167 1.00 0.00 C ATOM 595 O LEU A 40 -0.001 6.660 -3.988 1.00 0.00 O ATOM 596 CB LEU A 40 -1.620 5.661 -6.587 1.00 0.00 C ATOM 597 CG LEU A 40 -3.073 5.194 -6.685 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.171 3.926 -7.519 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.655 4.968 -5.297 1.00 0.00 C ATOM 0 H LEU A 40 -1.373 7.768 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.192 7.193 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.205 5.706 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.053 4.907 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.653 5.974 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.212 3.609 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.794 4.121 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.577 3.138 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.689 4.636 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.073 4.207 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.620 5.899 -4.732 1.00 0.00 H new ATOM 611 N PHE A 41 1.001 7.397 -5.863 1.00 0.00 N ATOM 612 CA PHE A 41 2.331 7.437 -5.267 1.00 0.00 C ATOM 613 C PHE A 41 2.372 8.413 -4.094 1.00 0.00 C ATOM 614 O PHE A 41 2.838 8.073 -3.006 1.00 0.00 O ATOM 615 CB PHE A 41 3.371 7.838 -6.315 1.00 0.00 C ATOM 616 CG PHE A 41 4.609 6.989 -6.287 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.659 7.300 -5.438 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.723 5.880 -7.109 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.800 6.520 -5.409 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.862 5.096 -7.084 1.00 0.00 C ATOM 621 CZ PHE A 41 6.902 5.417 -6.234 1.00 0.00 C ATOM 0 H PHE A 41 0.968 7.689 -6.840 1.00 0.00 H new ATOM 0 HA PHE A 41 2.566 6.439 -4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.920 7.776 -7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.651 8.880 -6.157 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.585 8.162 -4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.914 5.625 -7.777 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.611 6.773 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.938 4.233 -7.729 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.793 4.807 -6.214 1.00 0.00 H new ATOM 631 N ARG A 42 1.883 9.627 -4.325 1.00 0.00 N ATOM 632 CA ARG A 42 1.866 10.653 -3.289 1.00 0.00 C ATOM 633 C ARG A 42 0.918 10.266 -2.157 1.00 0.00 C ATOM 634 O ARG A 42 1.094 10.692 -1.016 1.00 0.00 O ATOM 635 CB ARG A 42 1.446 11.999 -3.882 1.00 0.00 C ATOM 636 CG ARG A 42 2.615 12.841 -4.369 1.00 0.00 C ATOM 637 CD ARG A 42 2.334 13.445 -5.736 1.00 0.00 C ATOM 638 NE ARG A 42 1.727 14.770 -5.634 1.00 0.00 N ATOM 639 CZ ARG A 42 2.405 15.866 -5.316 1.00 0.00 C ATOM 640 NH1 ARG A 42 3.706 15.797 -5.070 1.00 0.00 N ATOM 641 NH2 ARG A 42 1.782 17.036 -5.243 1.00 0.00 N ATOM 0 H ARG A 42 1.494 9.924 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 42 2.874 10.741 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.764 11.823 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.893 12.561 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.815 13.637 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.513 12.225 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.264 13.515 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.671 12.785 -6.295 1.00 0.00 H new ATOM 0 HE ARG A 42 0.727 14.858 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.189 14.900 -5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.224 16.641 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.781 17.094 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.304 17.877 -4.999 1.00 0.00 H new ATOM 655 N GLN A 43 -0.086 9.458 -2.482 1.00 0.00 N ATOM 656 CA GLN A 43 -1.061 9.016 -1.493 1.00 0.00 C ATOM 657 C GLN A 43 -0.494 7.890 -0.635 1.00 0.00 C ATOM 658 O GLN A 43 -0.702 7.856 0.577 1.00 0.00 O ATOM 659 CB GLN A 43 -2.345 8.551 -2.183 1.00 0.00 C ATOM 660 CG GLN A 43 -3.587 8.699 -1.320 1.00 0.00 C ATOM 661 CD GLN A 43 -3.752 7.559 -0.334 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.905 6.401 -0.725 1.00 0.00 O ATOM 663 NE2 GLN A 43 -3.721 7.881 0.954 1.00 0.00 N ATOM 0 H GLN A 43 -0.245 9.096 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.292 9.861 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.481 9.122 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.235 7.505 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.536 9.641 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.467 8.750 -1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.592 8.853 1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.826 7.156 1.664 1.00 0.00 H new ATOM 672 N GLN A 44 0.221 6.969 -1.274 1.00 0.00 N ATOM 673 CA GLN A 44 0.817 5.841 -0.568 1.00 0.00 C ATOM 674 C GLN A 44 2.113 6.253 0.122 1.00 0.00 C ATOM 675 O GLN A 44 2.396 5.825 1.242 1.00 0.00 O ATOM 676 CB GLN A 44 1.086 4.690 -1.539 1.00 0.00 C ATOM 677 CG GLN A 44 -0.087 3.734 -1.690 1.00 0.00 C ATOM 678 CD GLN A 44 -0.507 3.114 -0.372 1.00 0.00 C ATOM 679 OE1 GLN A 44 0.275 3.055 0.577 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.749 2.649 -0.306 1.00 0.00 N ATOM 0 H GLN A 44 0.401 6.982 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 44 0.112 5.508 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.337 5.102 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.957 4.132 -1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.933 4.268 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.182 2.943 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.363 2.719 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.089 2.222 0.556 1.00 0.00 H new ATOM 689 N LEU A 45 2.898 7.085 -0.553 1.00 0.00 N ATOM 690 CA LEU A 45 4.165 7.555 -0.005 1.00 0.00 C ATOM 691 C LEU A 45 3.966 8.824 0.818 1.00 0.00 C ATOM 692 O LEU A 45 4.830 9.209 1.605 1.00 0.00 O ATOM 693 CB LEU A 45 5.165 7.818 -1.132 1.00 0.00 C ATOM 694 CG LEU A 45 5.831 6.582 -1.740 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.589 5.806 -0.675 1.00 0.00 C ATOM 696 CD2 LEU A 45 4.794 5.695 -2.413 1.00 0.00 C ATOM 0 H LEU A 45 2.679 7.448 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 45 4.559 6.777 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.652 8.358 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.946 8.477 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 45 6.544 6.911 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.056 4.930 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.358 6.443 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.897 5.487 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.285 4.821 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.057 5.374 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.296 6.254 -3.205 1.00 0.00 H new ATOM 708 N GLY A 46 2.818 9.469 0.633 1.00 0.00 N ATOM 709 CA GLY A 46 2.524 10.686 1.367 1.00 0.00 C ATOM 710 C GLY A 46 3.430 11.835 0.971 1.00 0.00 C ATOM 711 O GLY A 46 3.418 12.890 1.605 1.00 0.00 O ATOM 0 H GLY A 46 2.086 9.170 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.486 10.969 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.628 10.497 2.435 1.00 0.00 H new ATOM 715 N ILE A 47 4.218 11.630 -0.079 1.00 0.00 N ATOM 716 CA ILE A 47 5.135 12.657 -0.558 1.00 0.00 C ATOM 717 C ILE A 47 5.354 12.540 -2.062 1.00 0.00 C ATOM 718 O ILE A 47 4.887 11.594 -2.696 1.00 0.00 O ATOM 719 CB ILE A 47 6.497 12.573 0.156 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.211 11.271 -0.212 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.312 12.675 1.663 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.567 11.120 0.440 1.00 0.00 C ATOM 0 H ILE A 47 4.240 10.762 -0.614 1.00 0.00 H new ATOM 0 HA ILE A 47 4.675 13.620 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 47 7.115 13.409 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.583 10.428 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.330 11.225 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.283 12.614 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.841 13.627 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.679 11.857 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.015 10.174 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.212 11.943 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.453 11.134 1.524 1.00 0.00 H new ATOM 734 N SER A 48 6.069 13.508 -2.627 1.00 0.00 N ATOM 735 CA SER A 48 6.349 13.515 -4.058 1.00 0.00 C ATOM 736 C SER A 48 7.456 12.522 -4.400 1.00 0.00 C ATOM 737 O SER A 48 8.303 12.207 -3.564 1.00 0.00 O ATOM 738 CB SER A 48 6.750 14.920 -4.514 1.00 0.00 C ATOM 739 OG SER A 48 6.553 15.079 -5.908 1.00 0.00 O ATOM 0 H SER A 48 6.465 14.297 -2.116 1.00 0.00 H new ATOM 0 HA SER A 48 5.441 13.216 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.163 15.663 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.797 15.101 -4.268 1.00 0.00 H new ATOM 0 HG SER A 48 6.815 15.985 -6.174 1.00 0.00 H new ATOM 745 N VAL A 49 7.443 12.033 -5.636 1.00 0.00 N ATOM 746 CA VAL A 49 8.445 11.077 -6.091 1.00 0.00 C ATOM 747 C VAL A 49 9.855 11.610 -5.865 1.00 0.00 C ATOM 748 O VAL A 49 10.748 10.876 -5.439 1.00 0.00 O ATOM 749 CB VAL A 49 8.267 10.745 -7.585 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.221 9.637 -8.003 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.825 10.356 -7.875 1.00 0.00 C ATOM 0 H VAL A 49 6.749 12.284 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 49 8.305 10.168 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 49 8.504 11.635 -8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.081 9.416 -9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.249 9.958 -7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.018 8.742 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.717 10.125 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.558 9.480 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.165 11.184 -7.615 1.00 0.00 H new ATOM 761 N LEU A 50 10.050 12.893 -6.152 1.00 0.00 N ATOM 762 CA LEU A 50 11.353 13.526 -5.980 1.00 0.00 C ATOM 763 C LEU A 50 11.790 13.483 -4.519 1.00 0.00 C ATOM 764 O LEU A 50 12.975 13.333 -4.220 1.00 0.00 O ATOM 765 CB LEU A 50 11.306 14.975 -6.467 1.00 0.00 C ATOM 766 CG LEU A 50 12.574 15.498 -7.143 1.00 0.00 C ATOM 767 CD1 LEU A 50 12.909 14.662 -8.368 1.00 0.00 C ATOM 768 CD2 LEU A 50 12.412 16.962 -7.521 1.00 0.00 C ATOM 0 H LEU A 50 9.322 13.515 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 50 12.080 12.973 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.477 15.075 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.082 15.616 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 50 13.400 15.416 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.814 15.049 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.069 13.626 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.084 14.711 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.324 17.317 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.574 17.069 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.221 17.551 -6.624 1.00 0.00 H new ATOM 780 N SER A 51 10.826 13.612 -3.614 1.00 0.00 N ATOM 781 CA SER A 51 11.111 13.589 -2.184 1.00 0.00 C ATOM 782 C SER A 51 11.455 12.177 -1.721 1.00 0.00 C ATOM 783 O SER A 51 12.443 11.966 -1.018 1.00 0.00 O ATOM 784 CB SER A 51 9.913 14.119 -1.394 1.00 0.00 C ATOM 785 OG SER A 51 9.931 15.535 -1.330 1.00 0.00 O ATOM 0 H SER A 51 9.840 13.734 -3.845 1.00 0.00 H new ATOM 0 HA SER A 51 11.971 14.233 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.987 13.785 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.927 13.706 -0.385 1.00 0.00 H new ATOM 0 HG SER A 51 9.154 15.849 -0.822 1.00 0.00 H new ATOM 791 N TRP A 52 10.632 11.214 -2.120 1.00 0.00 N ATOM 792 CA TRP A 52 10.848 9.821 -1.747 1.00 0.00 C ATOM 793 C TRP A 52 12.197 9.323 -2.256 1.00 0.00 C ATOM 794 O TRP A 52 12.906 8.599 -1.556 1.00 0.00 O ATOM 795 CB TRP A 52 9.725 8.943 -2.300 1.00 0.00 C ATOM 796 CG TRP A 52 9.991 7.475 -2.155 1.00 0.00 C ATOM 797 CD1 TRP A 52 9.638 6.678 -1.103 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.669 6.630 -3.091 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.056 5.389 -1.330 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.690 5.333 -2.542 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.258 6.842 -4.340 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.278 4.256 -3.201 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.841 5.773 -4.992 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.847 4.493 -4.422 1.00 0.00 C ATOM 0 H TRP A 52 9.809 11.372 -2.702 1.00 0.00 H new ATOM 0 HA TRP A 52 10.846 9.759 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.795 9.189 -1.787 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.578 9.176 -3.355 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.109 7.012 -0.223 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.916 4.601 -0.698 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.257 7.825 -4.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.284 3.269 -2.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.300 5.926 -5.958 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.310 3.677 -4.957 1.00 0.00 H new ATOM 815 N ARG A 53 12.545 9.716 -3.477 1.00 0.00 N ATOM 816 CA ARG A 53 13.808 9.308 -4.079 1.00 0.00 C ATOM 817 C ARG A 53 14.988 9.750 -3.218 1.00 0.00 C ATOM 818 O ARG A 53 15.905 8.971 -2.958 1.00 0.00 O ATOM 819 CB ARG A 53 13.941 9.897 -5.485 1.00 0.00 C ATOM 820 CG ARG A 53 15.269 9.581 -6.154 1.00 0.00 C ATOM 821 CD ARG A 53 15.451 10.380 -7.435 1.00 0.00 C ATOM 822 NE ARG A 53 14.982 9.648 -8.609 1.00 0.00 N ATOM 823 CZ ARG A 53 15.697 8.713 -9.225 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.906 8.398 -8.781 1.00 0.00 N ATOM 825 NH2 ARG A 53 15.202 8.091 -10.287 1.00 0.00 N ATOM 0 H ARG A 53 11.970 10.316 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 53 13.815 8.220 -4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.131 9.517 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.820 10.979 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.086 9.802 -5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.320 8.515 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.908 11.322 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.505 10.629 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 53 14.056 9.867 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.289 8.874 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.453 7.680 -9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.272 8.331 -10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.751 7.373 -10.760 1.00 0.00 H new ATOM 839 N GLU A 54 14.957 11.004 -2.778 1.00 0.00 N ATOM 840 CA GLU A 54 16.025 11.548 -1.947 1.00 0.00 C ATOM 841 C GLU A 54 16.071 10.848 -0.592 1.00 0.00 C ATOM 842 O GLU A 54 17.141 10.487 -0.104 1.00 0.00 O ATOM 843 CB GLU A 54 15.831 13.053 -1.750 1.00 0.00 C ATOM 844 CG GLU A 54 17.130 13.811 -1.536 1.00 0.00 C ATOM 845 CD GLU A 54 17.814 13.441 -0.234 1.00 0.00 C ATOM 846 OE1 GLU A 54 17.148 13.490 0.821 1.00 0.00 O ATOM 847 OE2 GLU A 54 19.015 13.102 -0.271 1.00 0.00 O ATOM 0 H GLU A 54 14.205 11.662 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 54 16.972 11.375 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.321 13.462 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.179 13.218 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.805 13.609 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.927 14.882 -1.544 1.00 0.00 H new ATOM 854 N ASP A 55 14.901 10.660 0.009 1.00 0.00 N ATOM 855 CA ASP A 55 14.806 10.003 1.308 1.00 0.00 C ATOM 856 C ASP A 55 15.462 8.626 1.269 1.00 0.00 C ATOM 857 O ASP A 55 16.163 8.237 2.203 1.00 0.00 O ATOM 858 CB ASP A 55 13.342 9.873 1.731 1.00 0.00 C ATOM 859 CG ASP A 55 13.163 9.971 3.234 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.684 10.936 3.832 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.502 9.083 3.811 1.00 0.00 O ATOM 0 H ASP A 55 14.006 10.953 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 55 15.334 10.616 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.756 10.654 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.950 8.918 1.383 1.00 0.00 H new ATOM 866 N GLN A 56 15.228 7.895 0.185 1.00 0.00 N ATOM 867 CA GLN A 56 15.794 6.560 0.027 1.00 0.00 C ATOM 868 C GLN A 56 17.309 6.628 -0.136 1.00 0.00 C ATOM 869 O GLN A 56 18.037 5.776 0.373 1.00 0.00 O ATOM 870 CB GLN A 56 15.171 5.858 -1.181 1.00 0.00 C ATOM 871 CG GLN A 56 13.866 5.145 -0.863 1.00 0.00 C ATOM 872 CD GLN A 56 14.018 4.113 0.237 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.801 3.171 0.116 1.00 0.00 O ATOM 874 NE2 GLN A 56 13.268 4.286 1.319 1.00 0.00 N ATOM 0 H GLN A 56 14.651 8.204 -0.597 1.00 0.00 H new ATOM 0 HA GLN A 56 15.568 5.988 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.992 6.593 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.883 5.135 -1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.118 5.880 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.494 4.658 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.632 5.081 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.328 3.623 2.092 1.00 0.00 H new ATOM 883 N ARG A 57 17.778 7.647 -0.849 1.00 0.00 N ATOM 884 CA ARG A 57 19.206 7.825 -1.080 1.00 0.00 C ATOM 885 C ARG A 57 19.960 7.945 0.241 1.00 0.00 C ATOM 886 O ARG A 57 21.037 7.372 0.406 1.00 0.00 O ATOM 887 CB ARG A 57 19.455 9.069 -1.936 1.00 0.00 C ATOM 888 CG ARG A 57 19.192 8.852 -3.417 1.00 0.00 C ATOM 889 CD ARG A 57 19.053 10.172 -4.158 1.00 0.00 C ATOM 890 NE ARG A 57 20.315 10.602 -4.754 1.00 0.00 N ATOM 891 CZ ARG A 57 20.400 11.507 -5.722 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.303 12.076 -6.201 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.586 11.846 -6.213 1.00 0.00 N ATOM 0 H ARG A 57 17.189 8.362 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 57 19.574 6.947 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.820 9.879 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.488 9.391 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.008 8.274 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.282 8.265 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.299 10.071 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 57 18.698 10.938 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 57 21.179 10.184 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.390 11.819 -5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.372 12.771 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 57 22.433 11.411 -5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.650 12.541 -6.957 1.00 0.00 H new ATOM 907 N ILE A 58 19.386 8.692 1.178 1.00 0.00 N ATOM 908 CA ILE A 58 20.003 8.886 2.484 1.00 0.00 C ATOM 909 C ILE A 58 20.061 7.577 3.264 1.00 0.00 C ATOM 910 O ILE A 58 21.084 7.245 3.864 1.00 0.00 O ATOM 911 CB ILE A 58 19.242 9.934 3.317 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.167 11.262 2.560 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.912 10.126 4.669 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.522 11.861 2.255 1.00 0.00 C ATOM 0 H ILE A 58 18.495 9.173 1.057 1.00 0.00 H new ATOM 0 HA ILE A 58 21.017 9.244 2.304 1.00 0.00 H new ATOM 0 HB ILE A 58 18.227 9.575 3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.628 11.108 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.588 11.974 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.362 10.870 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.918 9.180 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.937 10.466 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.392 12.800 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.056 12.047 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.096 11.168 1.640 1.00 0.00 H new ATOM 926 N SER A 59 18.957 6.837 3.251 1.00 0.00 N ATOM 927 CA SER A 59 18.881 5.565 3.959 1.00 0.00 C ATOM 928 C SER A 59 19.811 4.535 3.326 1.00 0.00 C ATOM 929 O SER A 59 20.408 3.713 4.022 1.00 0.00 O ATOM 930 CB SER A 59 17.444 5.041 3.956 1.00 0.00 C ATOM 931 OG SER A 59 17.287 3.977 4.879 1.00 0.00 O ATOM 0 H SER A 59 18.103 7.097 2.758 1.00 0.00 H new ATOM 0 HA SER A 59 19.198 5.731 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.758 5.850 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.180 4.700 2.955 1.00 0.00 H new ATOM 0 HG SER A 59 16.360 3.661 4.859 1.00 0.00 H new ATOM 937 N GLN A 60 19.928 4.586 2.003 1.00 0.00 N ATOM 938 CA GLN A 60 20.785 3.657 1.276 1.00 0.00 C ATOM 939 C GLN A 60 22.254 3.895 1.611 1.00 0.00 C ATOM 940 O GLN A 60 23.012 2.950 1.827 1.00 0.00 O ATOM 941 CB GLN A 60 20.563 3.798 -0.231 1.00 0.00 C ATOM 942 CG GLN A 60 20.546 2.470 -0.970 1.00 0.00 C ATOM 943 CD GLN A 60 21.660 1.542 -0.530 1.00 0.00 C ATOM 944 OE1 GLN A 60 21.559 0.876 0.501 1.00 0.00 O ATOM 945 NE2 GLN A 60 22.733 1.492 -1.311 1.00 0.00 N ATOM 0 H GLN A 60 19.440 5.260 1.413 1.00 0.00 H new ATOM 0 HA GLN A 60 20.522 2.644 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.618 4.313 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.350 4.427 -0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.586 1.981 -0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.633 2.654 -2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.775 2.061 -2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.515 0.885 -1.065 1.00 0.00 H new ATOM 954 N ALA A 61 22.648 5.163 1.651 1.00 0.00 N ATOM 955 CA ALA A 61 24.025 5.526 1.960 1.00 0.00 C ATOM 956 C ALA A 61 24.453 4.957 3.309 1.00 0.00 C ATOM 957 O ALA A 61 25.588 4.511 3.475 1.00 0.00 O ATOM 958 CB ALA A 61 24.189 7.038 1.948 1.00 0.00 C ATOM 0 H ALA A 61 22.033 5.957 1.473 1.00 0.00 H new ATOM 0 HA ALA A 61 24.668 5.096 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.223 7.294 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.933 7.424 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.529 7.481 2.694 1.00 0.00 H new ATOM 964 N LYS A 62 23.537 4.976 4.271 1.00 0.00 N ATOM 965 CA LYS A 62 23.818 4.462 5.606 1.00 0.00 C ATOM 966 C LYS A 62 24.171 2.979 5.555 1.00 0.00 C ATOM 967 O LYS A 62 25.066 2.518 6.265 1.00 0.00 O ATOM 968 CB LYS A 62 22.612 4.679 6.523 1.00 0.00 C ATOM 969 CG LYS A 62 22.307 6.142 6.792 1.00 0.00 C ATOM 970 CD LYS A 62 21.126 6.303 7.734 1.00 0.00 C ATOM 971 CE LYS A 62 20.302 7.534 7.390 1.00 0.00 C ATOM 972 NZ LYS A 62 18.879 7.382 7.803 1.00 0.00 N ATOM 0 H LYS A 62 22.593 5.342 4.151 1.00 0.00 H new ATOM 0 HA LYS A 62 24.673 5.007 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.736 4.211 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.792 4.174 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.185 6.624 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.094 6.649 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.495 5.416 7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.486 6.380 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.731 8.407 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.351 7.716 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.351 8.242 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.461 6.564 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.830 7.234 8.831 1.00 0.00 H new ATOM 986 N LEU A 63 23.463 2.236 4.711 1.00 0.00 N ATOM 987 CA LEU A 63 23.703 0.805 4.565 1.00 0.00 C ATOM 988 C LEU A 63 25.118 0.538 4.062 1.00 0.00 C ATOM 989 O LEU A 63 25.809 -0.350 4.562 1.00 0.00 O ATOM 990 CB LEU A 63 22.683 0.192 3.604 1.00 0.00 C ATOM 991 CG LEU A 63 22.304 -1.266 3.868 1.00 0.00 C ATOM 992 CD1 LEU A 63 23.526 -2.164 3.756 1.00 0.00 C ATOM 993 CD2 LEU A 63 21.658 -1.410 5.238 1.00 0.00 C ATOM 0 H LEU A 63 22.718 2.601 4.118 1.00 0.00 H new ATOM 0 HA LEU A 63 23.593 0.342 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.775 0.794 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 63 23.078 0.266 2.591 1.00 0.00 H new ATOM 0 HG LEU A 63 21.581 -1.575 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 63 23.237 -3.197 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 63 23.946 -2.084 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 63 24.273 -1.855 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 63 21.395 -2.454 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.358 -1.082 6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 63 20.758 -0.797 5.282 1.00 0.00 H new ATOM 1005 N LEU A 64 25.543 1.312 3.070 1.00 0.00 N ATOM 1006 CA LEU A 64 26.877 1.162 2.499 1.00 0.00 C ATOM 1007 C LEU A 64 27.946 1.622 3.485 1.00 0.00 C ATOM 1008 O LEU A 64 28.966 0.956 3.667 1.00 0.00 O ATOM 1009 CB LEU A 64 26.989 1.958 1.198 1.00 0.00 C ATOM 1010 CG LEU A 64 25.887 1.718 0.166 1.00 0.00 C ATOM 1011 CD1 LEU A 64 25.392 3.038 -0.403 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.387 0.809 -0.947 1.00 0.00 C ATOM 0 H LEU A 64 24.983 2.050 2.644 1.00 0.00 H new ATOM 0 HA LEU A 64 27.037 0.105 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.002 3.019 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.949 1.726 0.736 1.00 0.00 H new ATOM 0 HG LEU A 64 25.052 1.224 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.608 2.847 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.994 3.655 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 64 26.219 3.560 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 64 25.589 0.649 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.239 1.275 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.691 -0.149 -0.525 1.00 0.00 H new ATOM 1024 N LEU A 65 27.706 2.764 4.120 1.00 0.00 N ATOM 1025 CA LEU A 65 28.647 3.313 5.090 1.00 0.00 C ATOM 1026 C LEU A 65 28.731 2.427 6.329 1.00 0.00 C ATOM 1027 O LEU A 65 29.743 2.418 7.030 1.00 0.00 O ATOM 1028 CB LEU A 65 28.230 4.729 5.489 1.00 0.00 C ATOM 1029 CG LEU A 65 28.926 5.869 4.743 1.00 0.00 C ATOM 1030 CD1 LEU A 65 28.032 7.098 4.693 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.258 6.201 5.401 1.00 0.00 C ATOM 0 H LEU A 65 26.868 3.328 3.981 1.00 0.00 H new ATOM 0 HA LEU A 65 29.632 3.349 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.155 4.826 5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.415 4.854 6.556 1.00 0.00 H new ATOM 0 HG LEU A 65 29.120 5.545 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.544 7.899 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.104 6.852 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.807 7.425 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.740 7.014 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.088 6.506 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.902 5.322 5.384 1.00 0.00 H new ATOM 1043 N SER A 66 27.662 1.682 6.591 1.00 0.00 N ATOM 1044 CA SER A 66 27.614 0.794 7.746 1.00 0.00 C ATOM 1045 C SER A 66 28.121 -0.599 7.382 1.00 0.00 C ATOM 1046 O SER A 66 28.616 -1.336 8.236 1.00 0.00 O ATOM 1047 CB SER A 66 26.186 0.704 8.288 1.00 0.00 C ATOM 1048 OG SER A 66 25.782 1.932 8.867 1.00 0.00 O ATOM 0 H SER A 66 26.818 1.676 6.019 1.00 0.00 H new ATOM 0 HA SER A 66 28.263 1.207 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.504 0.437 7.481 1.00 0.00 H new ATOM 0 HB3 SER A 66 26.126 -0.090 9.032 1.00 0.00 H new ATOM 0 HG SER A 66 25.400 2.510 8.174 1.00 0.00 H new ATOM 1054 N THR A 67 27.993 -0.954 6.107 1.00 0.00 N ATOM 1055 CA THR A 67 28.436 -2.257 5.629 1.00 0.00 C ATOM 1056 C THR A 67 29.850 -2.184 5.065 1.00 0.00 C ATOM 1057 O THR A 67 30.489 -3.210 4.826 1.00 0.00 O ATOM 1058 CB THR A 67 27.490 -2.809 4.545 1.00 0.00 C ATOM 1059 OG1 THR A 67 27.656 -4.226 4.425 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.762 -2.146 3.202 1.00 0.00 C ATOM 0 H THR A 67 27.586 -0.357 5.387 1.00 0.00 H new ATOM 0 HA THR A 67 28.425 -2.929 6.487 1.00 0.00 H new ATOM 0 HB THR A 67 26.465 -2.588 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 67 28.595 -4.460 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 67 27.083 -2.551 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.607 -1.071 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.792 -2.341 2.902 1.00 0.00 H new ATOM 1068 N THR A 68 30.336 -0.965 4.853 1.00 0.00 N ATOM 1069 CA THR A 68 31.675 -0.758 4.316 1.00 0.00 C ATOM 1070 C THR A 68 32.441 0.276 5.134 1.00 0.00 C ATOM 1071 O THR A 68 31.884 0.907 6.032 1.00 0.00 O ATOM 1072 CB THR A 68 31.626 -0.300 2.846 1.00 0.00 C ATOM 1073 OG1 THR A 68 31.375 1.108 2.780 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.546 -1.050 2.082 1.00 0.00 C ATOM 0 H THR A 68 29.822 -0.105 5.045 1.00 0.00 H new ATOM 0 HA THR A 68 32.191 -1.717 4.373 1.00 0.00 H new ATOM 0 HB THR A 68 32.591 -0.518 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.458 1.291 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.530 -0.710 1.047 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.757 -2.119 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.576 -0.859 2.541 1.00 0.00 H new ATOM 1082 N ARG A 69 33.720 0.445 4.815 1.00 0.00 N ATOM 1083 CA ARG A 69 34.563 1.403 5.521 1.00 0.00 C ATOM 1084 C ARG A 69 35.086 2.472 4.567 1.00 0.00 C ATOM 1085 O ARG A 69 36.060 3.163 4.867 1.00 0.00 O ATOM 1086 CB ARG A 69 35.735 0.685 6.193 1.00 0.00 C ATOM 1087 CG ARG A 69 36.678 0.009 5.211 1.00 0.00 C ATOM 1088 CD ARG A 69 36.247 -1.420 4.919 1.00 0.00 C ATOM 1089 NE ARG A 69 36.535 -1.807 3.540 1.00 0.00 N ATOM 1090 CZ ARG A 69 36.136 -2.953 3.000 1.00 0.00 C ATOM 1091 NH1 ARG A 69 35.435 -3.819 3.718 1.00 0.00 N ATOM 1092 NH2 ARG A 69 36.437 -3.233 1.739 1.00 0.00 N ATOM 0 H ARG A 69 34.195 -0.069 4.073 1.00 0.00 H new ATOM 0 HA ARG A 69 33.957 1.888 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.298 1.404 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.345 -0.063 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.707 0.578 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.690 0.009 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 69 36.759 -2.100 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.179 -1.523 5.109 1.00 0.00 H new ATOM 0 HE ARG A 69 37.072 -1.162 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.201 -3.606 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 69 35.130 -4.698 3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 69 36.975 -2.568 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 69 36.130 -4.113 1.325 1.00 0.00 H new ATOM 1106 N MET A 70 34.434 2.603 3.417 1.00 0.00 N ATOM 1107 CA MET A 70 34.834 3.589 2.419 1.00 0.00 C ATOM 1108 C MET A 70 34.629 5.006 2.943 1.00 0.00 C ATOM 1109 O MET A 70 33.809 5.255 3.828 1.00 0.00 O ATOM 1110 CB MET A 70 34.038 3.390 1.127 1.00 0.00 C ATOM 1111 CG MET A 70 34.398 2.115 0.382 1.00 0.00 C ATOM 1112 SD MET A 70 33.508 1.947 -1.177 1.00 0.00 S ATOM 1113 CE MET A 70 31.857 1.583 -0.586 1.00 0.00 C ATOM 0 H MET A 70 33.626 2.039 3.153 1.00 0.00 H new ATOM 0 HA MET A 70 35.894 3.448 2.209 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.974 3.375 1.364 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.206 4.244 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.470 2.103 0.187 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.180 1.255 1.015 1.00 0.00 H new ATOM 0 HE1 MET A 70 31.292 1.080 -1.371 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.918 0.936 0.289 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.354 2.512 -0.316 1.00 0.00 H new ATOM 1123 N PRO A 71 35.390 5.960 2.387 1.00 0.00 N ATOM 1124 CA PRO A 71 35.310 7.369 2.783 1.00 0.00 C ATOM 1125 C PRO A 71 34.002 8.021 2.345 1.00 0.00 C ATOM 1126 O PRO A 71 33.266 7.467 1.528 1.00 0.00 O ATOM 1127 CB PRO A 71 36.496 8.010 2.058 1.00 0.00 C ATOM 1128 CG PRO A 71 36.742 7.128 0.883 1.00 0.00 C ATOM 1129 CD PRO A 71 36.389 5.736 1.328 1.00 0.00 C ATOM 0 HA PRO A 71 35.339 7.490 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.266 9.029 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.373 8.064 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.132 7.432 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.783 7.184 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.981 5.144 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.261 5.201 1.705 1.00 0.00 H new ATOM 1137 N ILE A 72 33.721 9.198 2.892 1.00 0.00 N ATOM 1138 CA ILE A 72 32.503 9.925 2.556 1.00 0.00 C ATOM 1139 C ILE A 72 32.481 10.307 1.080 1.00 0.00 C ATOM 1140 O ILE A 72 31.418 10.390 0.466 1.00 0.00 O ATOM 1141 CB ILE A 72 32.355 11.200 3.407 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.547 10.875 4.890 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.995 11.839 3.171 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.588 9.826 5.408 1.00 0.00 C ATOM 0 H ILE A 72 34.320 9.669 3.570 1.00 0.00 H new ATOM 0 HA ILE A 72 31.668 9.257 2.769 1.00 0.00 H new ATOM 0 HB ILE A 72 33.125 11.910 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 72 33.569 10.531 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.423 11.788 5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.905 12.739 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.894 12.101 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.210 11.135 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.782 9.646 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 72 30.563 10.175 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.727 8.899 4.851 1.00 0.00 H new ATOM 1156 N ALA A 73 33.662 10.537 0.516 1.00 0.00 N ATOM 1157 CA ALA A 73 33.779 10.906 -0.889 1.00 0.00 C ATOM 1158 C ALA A 73 33.342 9.761 -1.796 1.00 0.00 C ATOM 1159 O ALA A 73 32.573 9.958 -2.737 1.00 0.00 O ATOM 1160 CB ALA A 73 35.207 11.321 -1.209 1.00 0.00 C ATOM 0 H ALA A 73 34.552 10.474 1.011 1.00 0.00 H new ATOM 0 HA ALA A 73 33.117 11.752 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.279 11.594 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.484 12.176 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.882 10.491 -1.002 1.00 0.00 H new ATOM 1166 N THR A 74 33.838 8.562 -1.507 1.00 0.00 N ATOM 1167 CA THR A 74 33.501 7.385 -2.298 1.00 0.00 C ATOM 1168 C THR A 74 32.031 7.015 -2.134 1.00 0.00 C ATOM 1169 O THR A 74 31.337 6.740 -3.113 1.00 0.00 O ATOM 1170 CB THR A 74 34.370 6.175 -1.904 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.753 6.475 -2.120 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.981 4.944 -2.708 1.00 0.00 C ATOM 0 H THR A 74 34.475 8.381 -0.731 1.00 0.00 H new ATOM 0 HA THR A 74 33.695 7.639 -3.340 1.00 0.00 H new ATOM 0 HB THR A 74 34.205 5.965 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.299 5.702 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.608 4.103 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.935 4.701 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.120 5.144 -3.770 1.00 0.00 H new ATOM 1180 N VAL A 75 31.562 7.010 -0.890 1.00 0.00 N ATOM 1181 CA VAL A 75 30.173 6.675 -0.598 1.00 0.00 C ATOM 1182 C VAL A 75 29.217 7.578 -1.369 1.00 0.00 C ATOM 1183 O VAL A 75 28.193 7.124 -1.878 1.00 0.00 O ATOM 1184 CB VAL A 75 29.872 6.794 0.908 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.407 6.495 1.185 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.775 5.866 1.706 1.00 0.00 C ATOM 0 H VAL A 75 32.123 7.234 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 75 30.024 5.641 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 75 30.074 7.818 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.213 6.584 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.782 7.204 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.174 5.482 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.549 5.963 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.607 4.836 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.817 6.133 1.531 1.00 0.00 H new ATOM 1196 N GLY A 76 29.560 8.860 -1.453 1.00 0.00 N ATOM 1197 CA GLY A 76 28.721 9.807 -2.165 1.00 0.00 C ATOM 1198 C GLY A 76 28.471 9.394 -3.602 1.00 0.00 C ATOM 1199 O GLY A 76 27.344 9.478 -4.091 1.00 0.00 O ATOM 0 H GLY A 76 30.403 9.260 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.767 9.904 -1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.193 10.789 -2.149 1.00 0.00 H new ATOM 1203 N ARG A 77 29.523 8.948 -4.280 1.00 0.00 N ATOM 1204 CA ARG A 77 29.412 8.523 -5.670 1.00 0.00 C ATOM 1205 C ARG A 77 28.381 7.409 -5.817 1.00 0.00 C ATOM 1206 O ARG A 77 27.691 7.318 -6.832 1.00 0.00 O ATOM 1207 CB ARG A 77 30.770 8.048 -6.190 1.00 0.00 C ATOM 1208 CG ARG A 77 31.171 8.680 -7.513 1.00 0.00 C ATOM 1209 CD ARG A 77 31.387 7.629 -8.590 1.00 0.00 C ATOM 1210 NE ARG A 77 32.042 8.183 -9.772 1.00 0.00 N ATOM 1211 CZ ARG A 77 33.354 8.375 -9.863 1.00 0.00 C ATOM 1212 NH1 ARG A 77 34.145 8.060 -8.847 1.00 0.00 N ATOM 1213 NH2 ARG A 77 33.875 8.883 -10.972 1.00 0.00 N ATOM 0 H ARG A 77 30.462 8.872 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 77 29.084 9.378 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.533 8.271 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.746 6.965 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.397 9.377 -7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 77 32.085 9.258 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 77 31.992 6.817 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 77 30.427 7.200 -8.875 1.00 0.00 H new ATOM 0 HE ARG A 77 31.461 8.436 -10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 77 33.747 7.669 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 77 35.152 8.208 -8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 77 33.269 9.126 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 77 34.882 9.030 -11.041 1.00 0.00 H new ATOM 1227 N ASN A 78 28.282 6.562 -4.798 1.00 0.00 N ATOM 1228 CA ASN A 78 27.336 5.452 -4.814 1.00 0.00 C ATOM 1229 C ASN A 78 25.900 5.963 -4.871 1.00 0.00 C ATOM 1230 O ASN A 78 25.024 5.322 -5.451 1.00 0.00 O ATOM 1231 CB ASN A 78 27.528 4.573 -3.577 1.00 0.00 C ATOM 1232 CG ASN A 78 28.116 3.217 -3.918 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.495 2.416 -4.616 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.320 2.953 -3.423 1.00 0.00 N ATOM 0 H ASN A 78 28.846 6.623 -3.950 1.00 0.00 H new ATOM 0 HA ASN A 78 27.527 4.857 -5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 78 28.183 5.083 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.568 4.435 -3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.766 2.056 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.799 3.647 -2.849 1.00 0.00 H new ATOM 1241 N VAL A 79 25.665 7.123 -4.264 1.00 0.00 N ATOM 1242 CA VAL A 79 24.336 7.721 -4.247 1.00 0.00 C ATOM 1243 C VAL A 79 24.203 8.795 -5.320 1.00 0.00 C ATOM 1244 O VAL A 79 23.301 9.630 -5.270 1.00 0.00 O ATOM 1245 CB VAL A 79 24.018 8.342 -2.873 1.00 0.00 C ATOM 1246 CG1 VAL A 79 24.051 7.279 -1.786 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.992 9.468 -2.559 1.00 0.00 C ATOM 0 H VAL A 79 26.378 7.666 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 79 23.625 6.919 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 79 23.012 8.761 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.824 7.736 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.310 6.510 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 79 25.042 6.827 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.753 9.895 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.009 9.076 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.913 10.241 -3.323 1.00 0.00 H new ATOM 1257 N GLY A 80 25.108 8.767 -6.294 1.00 0.00 N ATOM 1258 CA GLY A 80 25.074 9.743 -7.367 1.00 0.00 C ATOM 1259 C GLY A 80 25.572 11.106 -6.928 1.00 0.00 C ATOM 1260 O GLY A 80 25.550 12.062 -7.703 1.00 0.00 O ATOM 0 H GLY A 80 25.864 8.085 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.684 9.387 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.053 9.835 -7.738 1.00 0.00 H new ATOM 1264 N PHE A 81 26.021 11.196 -5.680 1.00 0.00 N ATOM 1265 CA PHE A 81 26.524 12.453 -5.138 1.00 0.00 C ATOM 1266 C PHE A 81 27.976 12.679 -5.547 1.00 0.00 C ATOM 1267 O PHE A 81 28.863 11.906 -5.184 1.00 0.00 O ATOM 1268 CB PHE A 81 26.406 12.458 -3.612 1.00 0.00 C ATOM 1269 CG PHE A 81 25.057 12.894 -3.117 1.00 0.00 C ATOM 1270 CD1 PHE A 81 23.898 12.398 -3.694 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.946 13.800 -2.074 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.656 12.799 -3.240 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.706 14.204 -1.616 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.560 13.702 -2.199 1.00 0.00 C ATOM 0 H PHE A 81 26.047 10.414 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 81 25.920 13.263 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.616 11.457 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.167 13.120 -3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 81 23.967 11.691 -4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.839 14.195 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 81 21.761 12.407 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 81 23.634 14.911 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.590 14.015 -1.842 1.00 0.00 H new ATOM 1284 N ASP A 82 28.211 13.744 -6.306 1.00 0.00 N ATOM 1285 CA ASP A 82 29.555 14.074 -6.765 1.00 0.00 C ATOM 1286 C ASP A 82 30.319 14.852 -5.698 1.00 0.00 C ATOM 1287 O ASP A 82 31.540 14.742 -5.590 1.00 0.00 O ATOM 1288 CB ASP A 82 29.490 14.888 -8.059 1.00 0.00 C ATOM 1289 CG ASP A 82 29.037 14.057 -9.243 1.00 0.00 C ATOM 1290 OD1 ASP A 82 29.089 12.813 -9.150 1.00 0.00 O ATOM 1291 OD2 ASP A 82 28.630 14.651 -10.264 1.00 0.00 O ATOM 0 H ASP A 82 27.488 14.393 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 82 30.085 13.141 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.806 15.726 -7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.473 15.310 -8.269 1.00 0.00 H new ATOM 1296 N ASP A 83 29.591 15.638 -4.913 1.00 0.00 N ATOM 1297 CA ASP A 83 30.199 16.435 -3.854 1.00 0.00 C ATOM 1298 C ASP A 83 30.081 15.729 -2.506 1.00 0.00 C ATOM 1299 O ASP A 83 28.978 15.468 -2.027 1.00 0.00 O ATOM 1300 CB ASP A 83 29.540 17.813 -3.781 1.00 0.00 C ATOM 1301 CG ASP A 83 30.091 18.659 -2.649 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.219 18.378 -2.193 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.394 19.602 -2.221 1.00 0.00 O ATOM 0 H ASP A 83 28.579 15.740 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 83 31.256 16.558 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 83 29.689 18.335 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 83 28.465 17.692 -3.650 1.00 0.00 H new ATOM 1308 N GLN A 84 31.224 15.423 -1.902 1.00 0.00 N ATOM 1309 CA GLN A 84 31.248 14.746 -0.611 1.00 0.00 C ATOM 1310 C GLN A 84 30.592 15.603 0.466 1.00 0.00 C ATOM 1311 O GLN A 84 29.857 15.098 1.315 1.00 0.00 O ATOM 1312 CB GLN A 84 32.687 14.416 -0.211 1.00 0.00 C ATOM 1313 CG GLN A 84 33.583 15.639 -0.099 1.00 0.00 C ATOM 1314 CD GLN A 84 35.041 15.320 -0.365 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.425 15.012 -1.494 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.863 15.393 0.675 1.00 0.00 N ATOM 0 H GLN A 84 32.146 15.633 -2.286 1.00 0.00 H new ATOM 0 HA GLN A 84 30.683 13.819 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.679 13.893 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.111 13.731 -0.945 1.00 0.00 H new ATOM 0 HG2 GLN A 84 33.246 16.398 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.485 16.067 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.502 15.652 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.855 15.190 0.556 1.00 0.00 H new ATOM 1325 N LEU A 85 30.862 16.903 0.426 1.00 0.00 N ATOM 1326 CA LEU A 85 30.298 17.832 1.399 1.00 0.00 C ATOM 1327 C LEU A 85 28.785 17.939 1.237 1.00 0.00 C ATOM 1328 O LEU A 85 28.059 18.135 2.211 1.00 0.00 O ATOM 1329 CB LEU A 85 30.937 19.214 1.244 1.00 0.00 C ATOM 1330 CG LEU A 85 32.172 19.482 2.105 1.00 0.00 C ATOM 1331 CD1 LEU A 85 31.822 19.397 3.583 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.285 18.503 1.762 1.00 0.00 C ATOM 0 H LEU A 85 31.468 17.338 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 85 30.512 17.448 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.211 19.350 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.185 19.968 1.477 1.00 0.00 H new ATOM 0 HG LEU A 85 32.525 20.491 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.713 19.591 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.059 20.139 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 85 31.442 18.401 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.156 18.709 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.942 17.484 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.556 18.613 0.712 1.00 0.00 H new ATOM 1344 N TYR A 86 28.317 17.805 0.001 1.00 0.00 N ATOM 1345 CA TYR A 86 26.891 17.886 -0.289 1.00 0.00 C ATOM 1346 C TYR A 86 26.119 16.810 0.468 1.00 0.00 C ATOM 1347 O TYR A 86 25.095 17.087 1.093 1.00 0.00 O ATOM 1348 CB TYR A 86 26.645 17.744 -1.792 1.00 0.00 C ATOM 1349 CG TYR A 86 25.184 17.616 -2.157 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.206 18.291 -1.437 1.00 0.00 C ATOM 1351 CD2 TYR A 86 24.780 16.821 -3.222 1.00 0.00 C ATOM 1352 CE1 TYR A 86 22.869 18.177 -1.766 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.446 16.702 -3.560 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.494 17.382 -2.829 1.00 0.00 C ATOM 1355 OH TYR A 86 21.164 17.265 -3.161 1.00 0.00 O ATOM 0 H TYR A 86 28.905 17.640 -0.816 1.00 0.00 H new ATOM 0 HA TYR A 86 26.535 18.862 0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.064 18.610 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.180 16.868 -2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.496 18.916 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.522 16.286 -3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.122 18.707 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.150 16.080 -4.392 1.00 0.00 H new ATOM 0 HH TYR A 86 21.071 16.669 -3.934 1.00 0.00 H new ATOM 1365 N PHE A 87 26.618 15.580 0.407 1.00 0.00 N ATOM 1366 CA PHE A 87 25.977 14.460 1.086 1.00 0.00 C ATOM 1367 C PHE A 87 25.939 14.687 2.594 1.00 0.00 C ATOM 1368 O PHE A 87 24.909 14.488 3.237 1.00 0.00 O ATOM 1369 CB PHE A 87 26.715 13.156 0.774 1.00 0.00 C ATOM 1370 CG PHE A 87 26.234 11.986 1.583 1.00 0.00 C ATOM 1371 CD1 PHE A 87 24.938 11.518 1.446 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.079 11.355 2.482 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.492 10.441 2.190 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.640 10.278 3.228 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.344 9.821 3.082 1.00 0.00 C ATOM 0 H PHE A 87 27.465 15.333 -0.106 1.00 0.00 H new ATOM 0 HA PHE A 87 24.952 14.386 0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.599 12.927 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.780 13.299 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.268 12.000 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.092 11.709 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.479 10.086 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.309 9.794 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 87 24.998 8.980 3.665 1.00 0.00 H new ATOM 1385 N SER A 88 27.071 15.105 3.152 1.00 0.00 N ATOM 1386 CA SER A 88 27.170 15.356 4.585 1.00 0.00 C ATOM 1387 C SER A 88 26.281 16.527 4.994 1.00 0.00 C ATOM 1388 O SER A 88 25.693 16.526 6.075 1.00 0.00 O ATOM 1389 CB SER A 88 28.621 15.642 4.976 1.00 0.00 C ATOM 1390 OG SER A 88 29.097 16.817 4.344 1.00 0.00 O ATOM 0 H SER A 88 27.932 15.277 2.633 1.00 0.00 H new ATOM 0 HA SER A 88 26.830 14.463 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.694 15.752 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.249 14.796 4.698 1.00 0.00 H new ATOM 0 HG SER A 88 28.564 16.995 3.541 1.00 0.00 H new ATOM 1396 N ARG A 89 26.190 17.525 4.121 1.00 0.00 N ATOM 1397 CA ARG A 89 25.375 18.704 4.391 1.00 0.00 C ATOM 1398 C ARG A 89 23.900 18.330 4.509 1.00 0.00 C ATOM 1399 O ARG A 89 23.235 18.682 5.483 1.00 0.00 O ATOM 1400 CB ARG A 89 25.562 19.743 3.285 1.00 0.00 C ATOM 1401 CG ARG A 89 26.714 20.701 3.537 1.00 0.00 C ATOM 1402 CD ARG A 89 27.062 21.496 2.288 1.00 0.00 C ATOM 1403 NE ARG A 89 28.237 22.340 2.486 1.00 0.00 N ATOM 1404 CZ ARG A 89 28.701 23.182 1.569 1.00 0.00 C ATOM 1405 NH1 ARG A 89 28.090 23.292 0.397 1.00 0.00 N ATOM 1406 NH2 ARG A 89 29.776 23.916 1.823 1.00 0.00 N ATOM 0 H ARG A 89 26.670 17.541 3.221 1.00 0.00 H new ATOM 0 HA ARG A 89 25.701 19.131 5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.729 19.228 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.641 20.316 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.450 21.385 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.588 20.141 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.244 20.810 1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.212 22.118 2.006 1.00 0.00 H new ATOM 0 HE ARG A 89 28.729 22.280 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.262 22.730 0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 89 28.448 23.939 -0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 89 30.248 23.835 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 89 30.131 24.562 1.118 1.00 0.00 H new ATOM 1420 N VAL A 90 23.395 17.614 3.509 1.00 0.00 N ATOM 1421 CA VAL A 90 22.000 17.191 3.500 1.00 0.00 C ATOM 1422 C VAL A 90 21.746 16.111 4.545 1.00 0.00 C ATOM 1423 O VAL A 90 20.717 16.115 5.221 1.00 0.00 O ATOM 1424 CB VAL A 90 21.583 16.660 2.116 1.00 0.00 C ATOM 1425 CG1 VAL A 90 22.453 15.479 1.714 1.00 0.00 C ATOM 1426 CG2 VAL A 90 20.112 16.273 2.115 1.00 0.00 C ATOM 0 H VAL A 90 23.932 17.315 2.695 1.00 0.00 H new ATOM 0 HA VAL A 90 21.402 18.070 3.738 1.00 0.00 H new ATOM 0 HB VAL A 90 21.727 17.454 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 90 22.144 15.117 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 90 23.496 15.793 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 90 22.343 14.680 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.835 15.900 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.940 15.495 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 90 19.506 17.146 2.356 1.00 0.00 H new ATOM 1436 N PHE A 91 22.692 15.186 4.673 1.00 0.00 N ATOM 1437 CA PHE A 91 22.571 14.097 5.636 1.00 0.00 C ATOM 1438 C PHE A 91 22.608 14.630 7.066 1.00 0.00 C ATOM 1439 O PHE A 91 21.922 14.116 7.950 1.00 0.00 O ATOM 1440 CB PHE A 91 23.694 13.079 5.430 1.00 0.00 C ATOM 1441 CG PHE A 91 23.565 11.860 6.298 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.000 11.879 7.613 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.007 10.694 5.798 1.00 0.00 C ATOM 1444 CE1 PHE A 91 23.882 10.758 8.413 1.00 0.00 C ATOM 1445 CE2 PHE A 91 22.886 9.570 6.593 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.324 9.603 7.903 1.00 0.00 C ATOM 0 H PHE A 91 23.550 15.169 4.122 1.00 0.00 H new ATOM 0 HA PHE A 91 21.611 13.606 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.707 12.771 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.651 13.560 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.436 12.780 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.663 10.663 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.226 10.786 9.436 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.450 8.667 6.191 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.230 8.727 8.527 1.00 0.00 H new ATOM 1456 N LYS A 92 23.414 15.663 7.286 1.00 0.00 N ATOM 1457 CA LYS A 92 23.542 16.267 8.606 1.00 0.00 C ATOM 1458 C LYS A 92 22.186 16.737 9.123 1.00 0.00 C ATOM 1459 O LYS A 92 21.810 16.452 10.260 1.00 0.00 O ATOM 1460 CB LYS A 92 24.518 17.445 8.559 1.00 0.00 C ATOM 1461 CG LYS A 92 24.576 18.239 9.852 1.00 0.00 C ATOM 1462 CD LYS A 92 25.601 19.358 9.773 1.00 0.00 C ATOM 1463 CE LYS A 92 25.527 20.268 10.990 1.00 0.00 C ATOM 1464 NZ LYS A 92 26.125 19.631 12.196 1.00 0.00 N ATOM 0 H LYS A 92 23.989 16.100 6.566 1.00 0.00 H new ATOM 0 HA LYS A 92 23.929 15.510 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.515 17.071 8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.231 18.112 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.593 18.659 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.826 17.573 10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.601 18.932 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.433 19.943 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 92 26.047 21.202 10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.486 20.521 11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.055 20.283 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.613 18.753 12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 27.125 19.412 12.013 1.00 0.00 H new ATOM 1478 N LYS A 93 21.455 17.459 8.280 1.00 0.00 N ATOM 1479 CA LYS A 93 20.139 17.967 8.650 1.00 0.00 C ATOM 1480 C LYS A 93 19.096 16.855 8.612 1.00 0.00 C ATOM 1481 O LYS A 93 18.078 16.922 9.301 1.00 0.00 O ATOM 1482 CB LYS A 93 19.725 19.101 7.709 1.00 0.00 C ATOM 1483 CG LYS A 93 20.378 20.432 8.037 1.00 0.00 C ATOM 1484 CD LYS A 93 20.542 21.294 6.797 1.00 0.00 C ATOM 1485 CE LYS A 93 19.198 21.625 6.167 1.00 0.00 C ATOM 1486 NZ LYS A 93 19.270 22.845 5.315 1.00 0.00 N ATOM 0 H LYS A 93 21.752 17.706 7.336 1.00 0.00 H new ATOM 0 HA LYS A 93 20.198 18.351 9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.979 18.824 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.642 19.218 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.774 20.963 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.353 20.257 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.059 22.217 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.167 20.774 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.861 20.781 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.456 21.773 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.334 23.037 4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.567 23.656 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.960 22.695 4.551 1.00 0.00 H new ATOM 1500 N CYS A 94 19.357 15.833 7.805 1.00 0.00 N ATOM 1501 CA CYS A 94 18.441 14.705 7.678 1.00 0.00 C ATOM 1502 C CYS A 94 18.160 14.077 9.039 1.00 0.00 C ATOM 1503 O CYS A 94 17.006 13.858 9.408 1.00 0.00 O ATOM 1504 CB CYS A 94 19.019 13.655 6.728 1.00 0.00 C ATOM 1505 SG CYS A 94 17.877 12.312 6.328 1.00 0.00 S ATOM 0 H CYS A 94 20.196 15.762 7.229 1.00 0.00 H new ATOM 0 HA CYS A 94 17.502 15.077 7.268 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.324 14.146 5.804 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.918 13.232 7.176 1.00 0.00 H new ATOM 0 HG CYS A 94 17.503 12.416 5.087 1.00 0.00 H new ATOM 1511 N THR A 95 19.224 13.787 9.782 1.00 0.00 N ATOM 1512 CA THR A 95 19.092 13.182 11.102 1.00 0.00 C ATOM 1513 C THR A 95 19.461 14.172 12.200 1.00 0.00 C ATOM 1514 O THR A 95 19.241 13.913 13.382 1.00 0.00 O ATOM 1515 CB THR A 95 19.979 11.930 11.236 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.360 12.294 11.131 1.00 0.00 O ATOM 1517 CG2 THR A 95 19.637 10.906 10.164 1.00 0.00 C ATOM 0 H THR A 95 20.186 13.961 9.492 1.00 0.00 H new ATOM 0 HA THR A 95 18.047 12.892 11.214 1.00 0.00 H new ATOM 0 HB THR A 95 19.794 11.485 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.917 11.493 11.219 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.277 10.031 10.279 1.00 0.00 H new ATOM 0 HG22 THR A 95 18.593 10.608 10.265 1.00 0.00 H new ATOM 0 HG23 THR A 95 19.796 11.344 9.179 1.00 0.00 H new ATOM 1525 N GLY A 96 20.024 15.309 11.801 1.00 0.00 N ATOM 1526 CA GLY A 96 20.414 16.322 12.765 1.00 0.00 C ATOM 1527 C GLY A 96 21.877 16.224 13.149 1.00 0.00 C ATOM 1528 O GLY A 96 22.393 17.073 13.875 1.00 0.00 O ATOM 0 H GLY A 96 20.217 15.547 10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.216 17.310 12.349 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.799 16.224 13.660 1.00 0.00 H new ATOM 1532 N ALA A 97 22.546 15.185 12.662 1.00 0.00 N ATOM 1533 CA ALA A 97 23.959 14.979 12.958 1.00 0.00 C ATOM 1534 C ALA A 97 24.723 14.541 11.713 1.00 0.00 C ATOM 1535 O ALA A 97 24.173 13.869 10.840 1.00 0.00 O ATOM 1536 CB ALA A 97 24.121 13.951 14.068 1.00 0.00 C ATOM 0 H ALA A 97 22.133 14.472 12.061 1.00 0.00 H new ATOM 0 HA ALA A 97 24.377 15.928 13.293 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.181 13.807 14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 97 23.617 14.304 14.968 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.682 13.004 13.754 1.00 0.00 H new ATOM 1542 N SER A 98 25.993 14.925 11.638 1.00 0.00 N ATOM 1543 CA SER A 98 26.831 14.576 10.497 1.00 0.00 C ATOM 1544 C SER A 98 27.047 13.067 10.424 1.00 0.00 C ATOM 1545 O SER A 98 26.836 12.336 11.392 1.00 0.00 O ATOM 1546 CB SER A 98 28.180 15.292 10.590 1.00 0.00 C ATOM 1547 OG SER A 98 28.216 16.422 9.736 1.00 0.00 O ATOM 0 H SER A 98 26.464 15.478 12.354 1.00 0.00 H new ATOM 0 HA SER A 98 26.319 14.897 9.590 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.360 15.604 11.619 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.981 14.603 10.321 1.00 0.00 H new ATOM 0 HG SER A 98 29.087 16.864 9.814 1.00 0.00 H new ATOM 1553 N PRO A 99 27.479 12.589 9.248 1.00 0.00 N ATOM 1554 CA PRO A 99 27.735 11.163 9.019 1.00 0.00 C ATOM 1555 C PRO A 99 28.956 10.664 9.782 1.00 0.00 C ATOM 1556 O PRO A 99 28.997 9.515 10.224 1.00 0.00 O ATOM 1557 CB PRO A 99 27.978 11.085 7.510 1.00 0.00 C ATOM 1558 CG PRO A 99 28.458 12.444 7.132 1.00 0.00 C ATOM 1559 CD PRO A 99 27.752 13.402 8.051 1.00 0.00 C ATOM 0 HA PRO A 99 26.910 10.540 9.365 1.00 0.00 H new ATOM 0 HB2 PRO A 99 28.718 10.322 7.267 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.065 10.825 6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.540 12.521 7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.229 12.663 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.374 14.266 8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.833 13.782 7.606 1.00 0.00 H new ATOM 1567 N SER A 100 29.950 11.533 9.934 1.00 0.00 N ATOM 1568 CA SER A 100 31.175 11.178 10.642 1.00 0.00 C ATOM 1569 C SER A 100 30.899 10.952 12.125 1.00 0.00 C ATOM 1570 O SER A 100 31.530 10.110 12.763 1.00 0.00 O ATOM 1571 CB SER A 100 32.226 12.276 10.468 1.00 0.00 C ATOM 1572 OG SER A 100 33.015 12.049 9.314 1.00 0.00 O ATOM 0 H SER A 100 29.931 12.488 9.576 1.00 0.00 H new ATOM 0 HA SER A 100 31.556 10.250 10.216 1.00 0.00 H new ATOM 0 HB2 SER A 100 31.734 13.246 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.867 12.313 11.349 1.00 0.00 H new ATOM 0 HG SER A 100 33.678 12.765 9.225 1.00 0.00 H new ATOM 1578 N GLU A 101 29.952 11.712 12.667 1.00 0.00 N ATOM 1579 CA GLU A 101 29.593 11.595 14.076 1.00 0.00 C ATOM 1580 C GLU A 101 28.785 10.325 14.328 1.00 0.00 C ATOM 1581 O GLU A 101 29.065 9.573 15.261 1.00 0.00 O ATOM 1582 CB GLU A 101 28.793 12.820 14.524 1.00 0.00 C ATOM 1583 CG GLU A 101 28.550 12.873 16.023 1.00 0.00 C ATOM 1584 CD GLU A 101 28.840 14.240 16.613 1.00 0.00 C ATOM 1585 OE1 GLU A 101 30.016 14.512 16.930 1.00 0.00 O ATOM 1586 OE2 GLU A 101 27.889 15.036 16.756 1.00 0.00 O ATOM 0 H GLU A 101 29.420 12.414 12.153 1.00 0.00 H new ATOM 0 HA GLU A 101 30.514 11.539 14.656 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.324 13.722 14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 101 27.833 12.825 14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 101 27.514 12.605 16.229 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.176 12.129 16.515 1.00 0.00 H new ATOM 1593 N PHE A 102 27.780 10.095 13.490 1.00 0.00 N ATOM 1594 CA PHE A 102 26.929 8.918 13.621 1.00 0.00 C ATOM 1595 C PHE A 102 27.754 7.637 13.528 1.00 0.00 C ATOM 1596 O PHE A 102 27.552 6.699 14.299 1.00 0.00 O ATOM 1597 CB PHE A 102 25.847 8.920 12.540 1.00 0.00 C ATOM 1598 CG PHE A 102 24.789 7.875 12.748 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.044 7.848 13.916 1.00 0.00 C ATOM 1600 CD2 PHE A 102 24.538 6.921 11.775 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.070 6.887 14.110 1.00 0.00 C ATOM 1602 CE2 PHE A 102 23.565 5.957 11.964 1.00 0.00 C ATOM 1603 CZ PHE A 102 22.829 5.941 13.132 1.00 0.00 C ATOM 0 H PHE A 102 27.535 10.708 12.713 1.00 0.00 H new ATOM 0 HA PHE A 102 26.453 8.953 14.601 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.375 9.902 12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.315 8.763 11.568 1.00 0.00 H new ATOM 0 HD1 PHE A 102 24.226 8.586 14.683 1.00 0.00 H new ATOM 0 HD2 PHE A 102 25.109 6.930 10.858 1.00 0.00 H new ATOM 0 HE1 PHE A 102 22.497 6.875 15.026 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.381 5.217 11.199 1.00 0.00 H new ATOM 0 HZ PHE A 102 22.067 5.191 13.281 1.00 0.00 H new ATOM 1613 N ARG A 103 28.684 7.607 12.579 1.00 0.00 N ATOM 1614 CA ARG A 103 29.538 6.442 12.383 1.00 0.00 C ATOM 1615 C ARG A 103 30.465 6.241 13.579 1.00 0.00 C ATOM 1616 O ARG A 103 30.750 5.110 13.972 1.00 0.00 O ATOM 1617 CB ARG A 103 30.364 6.598 11.105 1.00 0.00 C ATOM 1618 CG ARG A 103 31.095 5.330 10.694 1.00 0.00 C ATOM 1619 CD ARG A 103 31.828 5.513 9.374 1.00 0.00 C ATOM 1620 NE ARG A 103 33.016 6.349 9.518 1.00 0.00 N ATOM 1621 CZ ARG A 103 34.159 5.919 10.040 1.00 0.00 C ATOM 1622 NH1 ARG A 103 34.268 4.668 10.465 1.00 0.00 N ATOM 1623 NH2 ARG A 103 35.196 6.740 10.137 1.00 0.00 N ATOM 0 H ARG A 103 28.865 8.376 11.934 1.00 0.00 H new ATOM 0 HA ARG A 103 28.898 5.565 12.289 1.00 0.00 H new ATOM 0 HB2 ARG A 103 29.706 6.908 10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.092 7.397 11.248 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.807 5.051 11.471 1.00 0.00 H new ATOM 0 HG3 ARG A 103 30.382 4.510 10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.117 4.538 8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 103 31.154 5.963 8.645 1.00 0.00 H new ATOM 0 HE ARG A 103 32.965 7.317 9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 103 33.473 4.033 10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 103 35.147 4.340 10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 103 35.116 7.703 9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 103 36.073 6.408 10.538 1.00 0.00 H new ATOM 1637 N ALA A 104 30.932 7.345 14.152 1.00 0.00 N ATOM 1638 CA ALA A 104 31.825 7.290 15.302 1.00 0.00 C ATOM 1639 C ALA A 104 31.122 6.687 16.514 1.00 0.00 C ATOM 1640 O ALA A 104 31.744 6.009 17.330 1.00 0.00 O ATOM 1641 CB ALA A 104 32.349 8.680 15.631 1.00 0.00 C ATOM 0 H ALA A 104 30.706 8.289 13.838 1.00 0.00 H new ATOM 0 HA ALA A 104 32.668 6.648 15.046 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.015 8.623 16.492 1.00 0.00 H new ATOM 0 HB2 ALA A 104 32.896 9.075 14.775 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.512 9.339 15.862 1.00 0.00 H new ATOM 1647 N GLY A 105 29.822 6.940 16.625 1.00 0.00 N ATOM 1648 CA GLY A 105 29.057 6.416 17.741 1.00 0.00 C ATOM 1649 C GLY A 105 29.090 7.332 18.948 1.00 0.00 C ATOM 1650 O GLY A 105 28.361 7.119 19.918 1.00 0.00 O ATOM 0 H GLY A 105 29.285 7.499 15.962 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.023 6.267 17.430 1.00 0.00 H new ATOM 0 HA3 GLY A 105 29.450 5.438 18.020 1.00 0.00 H new ATOM 1654 N CYS A 106 29.939 8.352 18.891 1.00 0.00 N ATOM 1655 CA CYS A 106 30.066 9.303 19.990 1.00 0.00 C ATOM 1656 C CYS A 106 28.839 10.204 20.075 1.00 0.00 C ATOM 1657 O CYS A 106 28.411 10.780 19.075 1.00 0.00 O ATOM 1658 CB CYS A 106 31.326 10.151 19.814 1.00 0.00 C ATOM 1659 SG CYS A 106 31.637 11.303 21.173 1.00 0.00 S ATOM 0 H CYS A 106 30.549 8.542 18.096 1.00 0.00 H new ATOM 0 HA CYS A 106 30.143 8.738 20.919 1.00 0.00 H new ATOM 0 HB2 CYS A 106 32.185 9.488 19.710 1.00 0.00 H new ATOM 0 HB3 CYS A 106 31.244 10.715 18.885 1.00 0.00 H new ATOM 0 HG CYS A 106 32.725 11.973 20.934 1.00 0.00 H new