USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 776 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 89 HIS : no HD1:sc= -0.371 K(o=-0.56,f=-0.00087) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -0.193 K(o=-0.56,f=-0.00087) USER MOD Set 2.1: A 44 TYR OH : rot 48:sc= 0.717 USER MOD Set 2.2: A 46 ASN : amide:sc= 0.395 K(o=1.1,f=-2.1!) USER MOD Single : A 1 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.4!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.175 USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= -0.371 (180deg=-0.616) USER MOD Single : A 10 HIS : no HE2:sc= -0.0583 X(o=-0.058,f=-0.055) USER MOD Single : A 11 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 79:sc= -1.48! USER MOD Single : A 30 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.35) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 79:sc= 1.01 USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.831 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0576 X(o=-0.058,f=-0.46) USER MOD Single : A 45 MET CE :methyl 162:sc= -0.101 (180deg=-0.511) USER MOD Single : A 47 ASN : amide:sc= 0.513 K(o=0.51,f=-0.0039) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.012 (180deg=-0.0764) USER MOD Single : A 55 ASN : amide:sc= -0.976 K(o=-0.98,f=-4.4!) USER MOD Single : A 56 GLN : amide:sc= 0.851 K(o=0.85,f=-9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 19:sc= 0.876 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -91:sc= 0.045 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0784 USER MOD Single : A 82 GLN : amide:sc= -0.685 X(o=-0.68,f=-0.23) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HE2:sc= -0.173 K(o=-0.17,f=-1.6) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.016) USER MOD Single : A 93 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.896 -23.338 1.261 1.00 0.00 N ATOM 2 CA GLN A 1 4.535 -22.123 1.837 1.00 0.00 C ATOM 3 C GLN A 1 4.186 -20.876 1.020 1.00 0.00 C ATOM 4 O GLN A 1 4.933 -20.479 0.124 1.00 0.00 O ATOM 5 CB GLN A 1 6.055 -22.344 1.861 1.00 0.00 C ATOM 6 CG GLN A 1 6.745 -21.747 3.078 1.00 0.00 C ATOM 7 CD GLN A 1 7.853 -20.773 2.717 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.436 -20.844 1.634 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.159 -19.863 3.635 1.00 0.00 N ATOM 0 H1 GLN A 1 4.149 -24.168 1.834 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.863 -23.220 1.260 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.229 -23.476 0.286 1.00 0.00 H new ATOM 0 HA GLN A 1 4.163 -21.960 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.257 -23.415 1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.490 -21.911 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.005 -21.235 3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.160 -22.552 3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.651 -19.839 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 1 8.902 -19.188 3.456 1.00 0.00 H new ATOM 18 N SER A 2 3.039 -20.265 1.328 1.00 0.00 N ATOM 19 CA SER A 2 2.591 -19.072 0.612 1.00 0.00 C ATOM 20 C SER A 2 1.720 -18.188 1.504 1.00 0.00 C ATOM 21 O SER A 2 0.529 -18.452 1.678 1.00 0.00 O ATOM 22 CB SER A 2 1.812 -19.471 -0.645 1.00 0.00 C ATOM 23 OG SER A 2 2.463 -20.517 -1.348 1.00 0.00 O ATOM 0 H SER A 2 2.407 -20.577 2.066 1.00 0.00 H new ATOM 0 HA SER A 2 3.474 -18.502 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.807 -19.788 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.703 -18.605 -1.298 1.00 0.00 H new ATOM 0 HG SER A 2 1.941 -20.750 -2.144 1.00 0.00 H new ATOM 29 N ASP A 3 2.320 -17.138 2.064 1.00 0.00 N ATOM 30 CA ASP A 3 1.604 -16.211 2.942 1.00 0.00 C ATOM 31 C ASP A 3 2.447 -14.973 3.251 1.00 0.00 C ATOM 32 O ASP A 3 3.198 -14.940 4.229 1.00 0.00 O ATOM 33 CB ASP A 3 1.185 -16.905 4.252 1.00 0.00 C ATOM 34 CG ASP A 3 2.213 -17.892 4.795 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.408 -17.786 4.441 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.814 -18.774 5.580 1.00 0.00 O ATOM 0 H ASP A 3 3.304 -16.907 1.925 1.00 0.00 H new ATOM 0 HA ASP A 3 0.706 -15.891 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.995 -16.143 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.245 -17.431 4.086 1.00 0.00 H new ATOM 41 N VAL A 4 2.309 -13.952 2.407 1.00 0.00 N ATOM 42 CA VAL A 4 3.045 -12.702 2.579 1.00 0.00 C ATOM 43 C VAL A 4 2.251 -11.714 3.434 1.00 0.00 C ATOM 44 O VAL A 4 1.170 -11.274 3.041 1.00 0.00 O ATOM 45 CB VAL A 4 3.371 -12.036 1.223 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.289 -10.835 1.428 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.998 -13.039 0.264 1.00 0.00 C ATOM 0 H VAL A 4 1.692 -13.967 1.595 1.00 0.00 H new ATOM 0 HA VAL A 4 3.979 -12.957 3.080 1.00 0.00 H new ATOM 0 HB VAL A 4 2.439 -11.685 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.509 -10.377 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.797 -10.106 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.218 -11.163 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.219 -12.547 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.921 -13.427 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.304 -13.862 0.093 1.00 0.00 H new ATOM 57 N ARG A 5 2.791 -11.365 4.602 1.00 0.00 N ATOM 58 CA ARG A 5 2.121 -10.423 5.501 1.00 0.00 C ATOM 59 C ARG A 5 2.545 -8.982 5.203 1.00 0.00 C ATOM 60 O ARG A 5 3.730 -8.649 5.262 1.00 0.00 O ATOM 61 CB ARG A 5 2.426 -10.759 6.965 1.00 0.00 C ATOM 62 CG ARG A 5 1.682 -11.980 7.482 1.00 0.00 C ATOM 63 CD ARG A 5 1.513 -11.927 8.992 1.00 0.00 C ATOM 64 NE ARG A 5 1.695 -13.238 9.611 1.00 0.00 N ATOM 65 CZ ARG A 5 1.944 -13.425 10.909 1.00 0.00 C ATOM 66 NH1 ARG A 5 2.037 -12.387 11.738 1.00 0.00 N ATOM 67 NH2 ARG A 5 2.100 -14.656 11.380 1.00 0.00 N ATOM 0 H ARG A 5 3.684 -11.717 4.947 1.00 0.00 H new ATOM 0 HA ARG A 5 1.048 -10.513 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.498 -10.925 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.171 -9.900 7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.703 -12.040 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.226 -12.883 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.233 -11.225 9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.520 -11.548 9.232 1.00 0.00 H new ATOM 0 HE ARG A 5 1.628 -14.062 9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.918 -11.438 11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.228 -12.541 12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.030 -15.456 10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.290 -14.802 12.371 1.00 0.00 H new ATOM 81 N ILE A 6 1.567 -8.133 4.887 1.00 0.00 N ATOM 82 CA ILE A 6 1.835 -6.726 4.584 1.00 0.00 C ATOM 83 C ILE A 6 1.188 -5.809 5.623 1.00 0.00 C ATOM 84 O ILE A 6 0.000 -5.942 5.929 1.00 0.00 O ATOM 85 CB ILE A 6 1.322 -6.337 3.174 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.786 -7.355 2.124 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.796 -4.938 2.797 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.661 -7.895 1.268 1.00 0.00 C ATOM 0 H ILE A 6 0.582 -8.394 4.834 1.00 0.00 H new ATOM 0 HA ILE A 6 2.917 -6.598 4.611 1.00 0.00 H new ATOM 0 HB ILE A 6 0.232 -6.341 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.530 -6.887 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.279 -8.186 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.426 -4.684 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.416 -4.218 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.886 -4.911 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.062 -8.609 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.072 -8.393 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.182 -7.073 0.736 1.00 0.00 H new ATOM 100 N LYS A 7 1.976 -4.877 6.158 1.00 0.00 N ATOM 101 CA LYS A 7 1.484 -3.934 7.158 1.00 0.00 C ATOM 102 C LYS A 7 1.057 -2.623 6.500 1.00 0.00 C ATOM 103 O LYS A 7 1.826 -2.013 5.752 1.00 0.00 O ATOM 104 CB LYS A 7 2.559 -3.669 8.218 1.00 0.00 C ATOM 105 CG LYS A 7 2.013 -3.606 9.637 1.00 0.00 C ATOM 106 CD LYS A 7 3.077 -3.975 10.660 1.00 0.00 C ATOM 107 CE LYS A 7 2.560 -3.851 12.088 1.00 0.00 C ATOM 108 NZ LYS A 7 1.927 -2.524 12.349 1.00 0.00 N ATOM 0 H LYS A 7 2.959 -4.756 5.914 1.00 0.00 H new ATOM 0 HA LYS A 7 0.614 -4.375 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.313 -4.454 8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.060 -2.729 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.643 -2.601 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.165 -4.284 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.412 -4.997 10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.945 -3.328 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.834 -4.641 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.385 -4.001 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.714 -2.435 13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.580 -1.766 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.046 -2.446 11.802 1.00 0.00 H new ATOM 122 N PHE A 8 -0.174 -2.199 6.777 1.00 0.00 N ATOM 123 CA PHE A 8 -0.713 -0.964 6.210 1.00 0.00 C ATOM 124 C PHE A 8 -1.028 0.056 7.302 1.00 0.00 C ATOM 125 O PHE A 8 -1.599 -0.291 8.340 1.00 0.00 O ATOM 126 CB PHE A 8 -1.976 -1.263 5.399 1.00 0.00 C ATOM 127 CG PHE A 8 -1.717 -2.038 4.136 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.188 -1.412 3.019 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.005 -3.393 4.068 1.00 0.00 C ATOM 130 CE1 PHE A 8 -0.951 -2.121 1.857 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.769 -4.107 2.908 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.241 -3.471 1.802 1.00 0.00 C ATOM 0 H PHE A 8 -0.819 -2.694 7.393 1.00 0.00 H new ATOM 0 HA PHE A 8 0.046 -0.538 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.672 -1.824 6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.464 -0.322 5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.958 -0.357 3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.418 -3.896 4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.540 -1.621 0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.998 -5.162 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.055 -4.028 0.895 1.00 0.00 H new ATOM 142 N GLU A 9 -0.657 1.314 7.062 1.00 0.00 N ATOM 143 CA GLU A 9 -0.900 2.386 8.020 1.00 0.00 C ATOM 144 C GLU A 9 -1.738 3.501 7.396 1.00 0.00 C ATOM 145 O GLU A 9 -1.403 4.020 6.329 1.00 0.00 O ATOM 146 CB GLU A 9 0.425 2.952 8.541 1.00 0.00 C ATOM 147 CG GLU A 9 0.682 2.645 10.010 1.00 0.00 C ATOM 148 CD GLU A 9 2.107 2.947 10.430 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.024 2.219 9.990 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.308 3.909 11.199 1.00 0.00 O ATOM 0 H GLU A 9 -0.186 1.613 6.208 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.458 1.966 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.243 2.547 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.431 4.033 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.005 3.227 10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.466 1.594 10.200 1.00 0.00 H new ATOM 157 N HIS A 10 -2.828 3.861 8.073 1.00 0.00 N ATOM 158 CA HIS A 10 -3.725 4.911 7.598 1.00 0.00 C ATOM 159 C HIS A 10 -4.026 5.909 8.714 1.00 0.00 C ATOM 160 O HIS A 10 -4.689 5.572 9.696 1.00 0.00 O ATOM 161 CB HIS A 10 -5.026 4.297 7.074 1.00 0.00 C ATOM 162 CG HIS A 10 -5.983 5.299 6.505 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.193 5.602 7.091 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.905 6.065 5.390 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.819 6.510 6.364 1.00 0.00 C ATOM 166 NE2 HIS A 10 -7.058 6.809 5.327 1.00 0.00 N ATOM 0 H HIS A 10 -3.111 3.438 8.957 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.232 5.443 6.784 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.786 3.562 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.517 3.761 7.886 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.550 5.189 7.953 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.089 6.087 4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.788 6.935 6.581 1.00 0.00 H new ATOM 175 N ASN A 11 -3.536 7.141 8.549 1.00 0.00 N ATOM 176 CA ASN A 11 -3.745 8.205 9.536 1.00 0.00 C ATOM 177 C ASN A 11 -3.257 7.785 10.928 1.00 0.00 C ATOM 178 O ASN A 11 -3.852 8.160 11.943 1.00 0.00 O ATOM 179 CB ASN A 11 -5.229 8.591 9.588 1.00 0.00 C ATOM 180 CG ASN A 11 -5.542 9.840 8.782 1.00 0.00 C ATOM 181 OD1 ASN A 11 -4.715 10.315 8.001 1.00 0.00 O ATOM 182 ND2 ASN A 11 -6.741 10.381 8.965 1.00 0.00 N ATOM 0 H ASN A 11 -2.989 7.427 7.737 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.159 9.070 9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.829 7.762 9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.522 8.751 10.626 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.006 11.220 8.450 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.397 9.957 9.621 1.00 0.00 H new ATOM 189 N GLY A 12 -2.177 7.002 10.971 1.00 0.00 N ATOM 190 CA GLY A 12 -1.638 6.544 12.244 1.00 0.00 C ATOM 191 C GLY A 12 -2.080 5.131 12.594 1.00 0.00 C ATOM 192 O GLY A 12 -1.313 4.366 13.182 1.00 0.00 O ATOM 0 H GLY A 12 -1.667 6.678 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.549 6.581 12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.954 7.225 13.034 1.00 0.00 H new ATOM 196 N GLU A 13 -3.318 4.782 12.230 1.00 0.00 N ATOM 197 CA GLU A 13 -3.856 3.451 12.508 1.00 0.00 C ATOM 198 C GLU A 13 -3.079 2.380 11.742 1.00 0.00 C ATOM 199 O GLU A 13 -2.762 2.554 10.564 1.00 0.00 O ATOM 200 CB GLU A 13 -5.341 3.386 12.136 1.00 0.00 C ATOM 201 CG GLU A 13 -6.239 2.923 13.275 1.00 0.00 C ATOM 202 CD GLU A 13 -7.470 3.795 13.442 1.00 0.00 C ATOM 203 OE1 GLU A 13 -7.311 4.997 13.744 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.592 3.275 13.270 1.00 0.00 O ATOM 0 H GLU A 13 -3.964 5.403 11.743 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.750 3.260 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.667 4.372 11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.465 2.710 11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.550 1.894 13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.670 2.924 14.204 1.00 0.00 H new ATOM 211 N ARG A 14 -2.772 1.276 12.424 1.00 0.00 N ATOM 212 CA ARG A 14 -2.023 0.176 11.814 1.00 0.00 C ATOM 213 C ARG A 14 -2.882 -1.081 11.674 1.00 0.00 C ATOM 214 O ARG A 14 -3.732 -1.366 12.523 1.00 0.00 O ATOM 215 CB ARG A 14 -0.766 -0.137 12.638 1.00 0.00 C ATOM 216 CG ARG A 14 -1.036 -0.394 14.114 1.00 0.00 C ATOM 217 CD ARG A 14 -0.806 0.859 14.949 1.00 0.00 C ATOM 218 NE ARG A 14 -0.139 0.564 16.217 1.00 0.00 N ATOM 219 CZ ARG A 14 0.356 1.496 17.036 1.00 0.00 C ATOM 220 NH1 ARG A 14 0.259 2.788 16.728 1.00 0.00 N ATOM 221 NH2 ARG A 14 0.949 1.136 18.170 1.00 0.00 N ATOM 0 H ARG A 14 -3.030 1.119 13.398 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.728 0.495 10.814 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.275 -1.012 12.212 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.069 0.696 12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.063 -0.735 14.243 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.387 -1.194 14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.204 1.567 14.380 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.763 1.342 15.148 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.046 -0.414 16.493 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.196 3.073 15.861 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.640 3.493 17.359 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.026 0.149 18.414 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.327 1.847 18.796 1.00 0.00 H new ATOM 235 N ARG A 15 -2.651 -1.834 10.594 1.00 0.00 N ATOM 236 CA ARG A 15 -3.395 -3.066 10.334 1.00 0.00 C ATOM 237 C ARG A 15 -2.539 -4.074 9.568 1.00 0.00 C ATOM 238 O ARG A 15 -1.933 -3.741 8.546 1.00 0.00 O ATOM 239 CB ARG A 15 -4.677 -2.762 9.549 1.00 0.00 C ATOM 240 CG ARG A 15 -5.942 -3.239 10.245 1.00 0.00 C ATOM 241 CD ARG A 15 -7.194 -2.713 9.560 1.00 0.00 C ATOM 242 NE ARG A 15 -8.346 -3.589 9.777 1.00 0.00 N ATOM 243 CZ ARG A 15 -9.054 -3.631 10.911 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.733 -2.847 11.939 1.00 0.00 N ATOM 245 NH2 ARG A 15 -10.087 -4.462 11.019 1.00 0.00 N ATOM 0 H ARG A 15 -1.953 -1.609 9.885 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.663 -3.504 11.295 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.746 -1.687 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.613 -3.232 8.568 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.963 -4.329 10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.931 -2.911 11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.421 -1.715 9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.009 -2.616 8.490 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.627 -4.207 9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.942 -2.208 11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.279 -2.886 12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.339 -5.067 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.627 -4.494 11.884 1.00 0.00 H new ATOM 259 N ILE A 16 -2.499 -5.311 10.067 1.00 0.00 N ATOM 260 CA ILE A 16 -1.724 -6.379 9.439 1.00 0.00 C ATOM 261 C ILE A 16 -2.636 -7.321 8.651 1.00 0.00 C ATOM 262 O ILE A 16 -3.605 -7.854 9.194 1.00 0.00 O ATOM 263 CB ILE A 16 -0.939 -7.203 10.487 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.182 -6.276 11.447 1.00 0.00 C ATOM 265 CG2 ILE A 16 0.026 -8.164 9.802 1.00 0.00 C ATOM 266 CD1 ILE A 16 -0.836 -6.148 12.806 1.00 0.00 C ATOM 0 H ILE A 16 -2.998 -5.597 10.909 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.016 -5.901 8.762 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.654 -7.788 11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.834 -6.650 11.575 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.102 -5.287 10.997 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.568 -8.734 10.556 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.533 -8.847 9.163 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.734 -7.598 9.196 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.247 -5.478 13.432 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.842 -5.744 12.689 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.891 -7.129 13.277 1.00 0.00 H new ATOM 278 N ILE A 17 -2.319 -7.521 7.369 1.00 0.00 N ATOM 279 CA ILE A 17 -3.114 -8.397 6.509 1.00 0.00 C ATOM 280 C ILE A 17 -2.226 -9.394 5.762 1.00 0.00 C ATOM 281 O ILE A 17 -1.189 -9.023 5.206 1.00 0.00 O ATOM 282 CB ILE A 17 -3.939 -7.588 5.482 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.719 -6.468 6.181 1.00 0.00 C ATOM 284 CG2 ILE A 17 -4.891 -8.503 4.721 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.041 -5.297 5.276 1.00 0.00 C ATOM 0 H ILE A 17 -1.519 -7.089 6.906 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.797 -8.941 7.162 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.250 -7.136 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.649 -6.877 6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.140 -6.110 7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.463 -7.916 4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.318 -9.265 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.573 -8.983 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.593 -4.544 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.115 -4.862 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.647 -5.641 4.438 1.00 0.00 H new ATOM 297 N ALA A 18 -2.644 -10.662 5.751 1.00 0.00 N ATOM 298 CA ALA A 18 -1.892 -11.717 5.073 1.00 0.00 C ATOM 299 C ALA A 18 -2.374 -11.904 3.635 1.00 0.00 C ATOM 300 O ALA A 18 -3.577 -11.873 3.363 1.00 0.00 O ATOM 301 CB ALA A 18 -2.005 -13.026 5.844 1.00 0.00 C ATOM 0 H ALA A 18 -3.500 -10.982 6.205 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.845 -11.416 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.440 -13.802 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.603 -12.892 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.052 -13.321 5.908 1.00 0.00 H new ATOM 307 N PHE A 19 -1.425 -12.097 2.719 1.00 0.00 N ATOM 308 CA PHE A 19 -1.736 -12.292 1.305 1.00 0.00 C ATOM 309 C PHE A 19 -1.002 -13.515 0.752 1.00 0.00 C ATOM 310 O PHE A 19 0.231 -13.549 0.728 1.00 0.00 O ATOM 311 CB PHE A 19 -1.351 -11.045 0.500 1.00 0.00 C ATOM 312 CG PHE A 19 -2.336 -9.914 0.619 1.00 0.00 C ATOM 313 CD1 PHE A 19 -2.379 -9.130 1.763 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.218 -9.636 -0.411 1.00 0.00 C ATOM 315 CE1 PHE A 19 -3.281 -8.089 1.872 1.00 0.00 C ATOM 316 CE2 PHE A 19 -4.123 -8.595 -0.307 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.157 -7.822 0.837 1.00 0.00 C ATOM 0 H PHE A 19 -0.428 -12.122 2.934 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.809 -12.459 1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.373 -10.698 0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.252 -11.319 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.700 -9.336 2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.199 -10.239 -1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.301 -7.484 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.803 -8.387 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.866 -7.012 0.922 1.00 0.00 H new ATOM 327 N SER A 20 -1.762 -14.516 0.309 1.00 0.00 N ATOM 328 CA SER A 20 -1.183 -15.742 -0.243 1.00 0.00 C ATOM 329 C SER A 20 -0.674 -15.520 -1.669 1.00 0.00 C ATOM 330 O SER A 20 -1.284 -14.786 -2.448 1.00 0.00 O ATOM 331 CB SER A 20 -2.221 -16.870 -0.237 1.00 0.00 C ATOM 332 OG SER A 20 -2.893 -16.941 1.008 1.00 0.00 O ATOM 0 H SER A 20 -2.782 -14.503 0.321 1.00 0.00 H new ATOM 0 HA SER A 20 -0.338 -16.024 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.945 -16.706 -1.035 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.730 -17.821 -0.443 1.00 0.00 H new ATOM 0 HG SER A 20 -3.550 -17.667 0.984 1.00 0.00 H new ATOM 338 N ARG A 21 0.444 -16.164 -2.001 1.00 0.00 N ATOM 339 CA ARG A 21 1.037 -16.045 -3.334 1.00 0.00 C ATOM 340 C ARG A 21 0.602 -17.201 -4.236 1.00 0.00 C ATOM 341 O ARG A 21 0.259 -18.280 -3.747 1.00 0.00 O ATOM 342 CB ARG A 21 2.563 -16.017 -3.233 1.00 0.00 C ATOM 343 CG ARG A 21 3.104 -14.843 -2.435 1.00 0.00 C ATOM 344 CD ARG A 21 4.440 -14.363 -2.982 1.00 0.00 C ATOM 345 NE ARG A 21 5.568 -14.886 -2.212 1.00 0.00 N ATOM 346 CZ ARG A 21 6.166 -16.058 -2.456 1.00 0.00 C ATOM 347 NH1 ARG A 21 5.748 -16.840 -3.452 1.00 0.00 N ATOM 348 NH2 ARG A 21 7.184 -16.451 -1.699 1.00 0.00 N ATOM 0 H ARG A 21 0.958 -16.774 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 21 0.686 -15.112 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.904 -16.945 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.984 -15.986 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.385 -14.024 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.221 -15.135 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.537 -14.672 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.466 -13.273 -2.969 1.00 0.00 H new ATOM 0 HE ARG A 21 5.922 -14.321 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.965 -16.547 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.211 -17.731 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.508 -15.860 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.641 -17.344 -1.883 1.00 0.00 H new ATOM 362 N PRO A 22 0.615 -16.992 -5.569 1.00 0.00 N ATOM 363 CA PRO A 22 1.016 -15.722 -6.188 1.00 0.00 C ATOM 364 C PRO A 22 -0.036 -14.630 -6.006 1.00 0.00 C ATOM 365 O PRO A 22 -1.237 -14.898 -6.062 1.00 0.00 O ATOM 366 CB PRO A 22 1.169 -16.068 -7.680 1.00 0.00 C ATOM 367 CG PRO A 22 1.040 -17.555 -7.772 1.00 0.00 C ATOM 368 CD PRO A 22 0.234 -17.981 -6.582 1.00 0.00 C ATOM 0 HA PRO A 22 1.926 -15.327 -5.736 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.403 -15.572 -8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.135 -15.736 -8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.547 -17.846 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.020 -18.031 -7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.836 -17.959 -6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.478 -18.996 -6.269 1.00 0.00 H new ATOM 376 N VAL A 23 0.424 -13.399 -5.791 1.00 0.00 N ATOM 377 CA VAL A 23 -0.475 -12.264 -5.601 1.00 0.00 C ATOM 378 C VAL A 23 -0.105 -11.110 -6.537 1.00 0.00 C ATOM 379 O VAL A 23 1.070 -10.914 -6.861 1.00 0.00 O ATOM 380 CB VAL A 23 -0.460 -11.774 -4.133 1.00 0.00 C ATOM 381 CG1 VAL A 23 0.928 -11.293 -3.731 1.00 0.00 C ATOM 382 CG2 VAL A 23 -1.497 -10.678 -3.916 1.00 0.00 C ATOM 0 H VAL A 23 1.415 -13.163 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.482 -12.604 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.720 -12.619 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.910 -10.954 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.640 -12.112 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.229 -10.468 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.468 -10.350 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.277 -9.834 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.489 -11.065 -4.146 1.00 0.00 H new ATOM 392 N LYS A 24 -1.111 -10.353 -6.969 1.00 0.00 N ATOM 393 CA LYS A 24 -0.891 -9.222 -7.869 1.00 0.00 C ATOM 394 C LYS A 24 -1.272 -7.906 -7.197 1.00 0.00 C ATOM 395 O LYS A 24 -2.233 -7.846 -6.425 1.00 0.00 O ATOM 396 CB LYS A 24 -1.684 -9.402 -9.170 1.00 0.00 C ATOM 397 CG LYS A 24 -3.108 -9.903 -8.970 1.00 0.00 C ATOM 398 CD LYS A 24 -3.187 -11.421 -9.053 1.00 0.00 C ATOM 399 CE LYS A 24 -2.801 -11.927 -10.436 1.00 0.00 C ATOM 400 NZ LYS A 24 -3.597 -13.118 -10.842 1.00 0.00 N ATOM 0 H LYS A 24 -2.087 -10.502 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 24 0.172 -9.189 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.717 -8.448 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.151 -10.103 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.477 -9.572 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.758 -9.463 -9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.527 -11.862 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.200 -11.747 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.945 -11.130 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.741 -12.180 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.300 -13.427 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.441 -13.889 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.607 -12.871 -10.859 1.00 0.00 H new ATOM 414 N TYR A 25 -0.511 -6.853 -7.498 1.00 0.00 N ATOM 415 CA TYR A 25 -0.755 -5.526 -6.933 1.00 0.00 C ATOM 416 C TYR A 25 -2.178 -5.049 -7.230 1.00 0.00 C ATOM 417 O TYR A 25 -2.803 -4.398 -6.394 1.00 0.00 O ATOM 418 CB TYR A 25 0.254 -4.516 -7.488 1.00 0.00 C ATOM 419 CG TYR A 25 0.133 -3.139 -6.874 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.826 -2.809 -5.719 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.679 -2.170 -7.453 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.716 -1.553 -5.155 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.794 -0.911 -6.895 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.096 -0.608 -5.746 1.00 0.00 C ATOM 425 OH TYR A 25 -0.210 0.645 -5.188 1.00 0.00 O ATOM 0 H TYR A 25 0.285 -6.895 -8.135 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.635 -5.599 -5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.263 -4.893 -7.319 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.120 -4.437 -8.567 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.462 -3.547 -5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.228 -2.405 -8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.263 -1.312 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.428 -0.168 -7.357 1.00 0.00 H new ATOM 0 HH TYR A 25 0.575 1.182 -5.426 1.00 0.00 H new ATOM 435 N GLU A 26 -2.679 -5.374 -8.422 1.00 0.00 N ATOM 436 CA GLU A 26 -4.026 -4.980 -8.823 1.00 0.00 C ATOM 437 C GLU A 26 -5.069 -5.536 -7.852 1.00 0.00 C ATOM 438 O GLU A 26 -5.983 -4.822 -7.434 1.00 0.00 O ATOM 439 CB GLU A 26 -4.323 -5.473 -10.241 1.00 0.00 C ATOM 440 CG GLU A 26 -5.348 -4.629 -10.978 1.00 0.00 C ATOM 441 CD GLU A 26 -6.581 -5.421 -11.368 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.529 -5.481 -10.555 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.597 -5.985 -12.481 1.00 0.00 O ATOM 0 H GLU A 26 -2.170 -5.909 -9.126 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.079 -3.891 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.396 -5.485 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.680 -6.502 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.643 -3.790 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.891 -4.209 -11.874 1.00 0.00 H new ATOM 450 N ASP A 27 -4.918 -6.813 -7.494 1.00 0.00 N ATOM 451 CA ASP A 27 -5.845 -7.467 -6.570 1.00 0.00 C ATOM 452 C ASP A 27 -5.691 -6.911 -5.154 1.00 0.00 C ATOM 453 O ASP A 27 -6.682 -6.630 -4.479 1.00 0.00 O ATOM 454 CB ASP A 27 -5.617 -8.986 -6.560 1.00 0.00 C ATOM 455 CG ASP A 27 -6.858 -9.767 -6.157 1.00 0.00 C ATOM 456 OD1 ASP A 27 -7.613 -9.287 -5.285 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.070 -10.865 -6.714 1.00 0.00 O ATOM 0 H ASP A 27 -4.164 -7.413 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.858 -7.262 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.298 -9.307 -7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.806 -9.222 -5.872 1.00 0.00 H new ATOM 462 N VAL A 28 -4.442 -6.748 -4.714 1.00 0.00 N ATOM 463 CA VAL A 28 -4.160 -6.222 -3.378 1.00 0.00 C ATOM 464 C VAL A 28 -4.647 -4.780 -3.247 1.00 0.00 C ATOM 465 O VAL A 28 -5.291 -4.423 -2.261 1.00 0.00 O ATOM 466 CB VAL A 28 -2.652 -6.279 -3.043 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.401 -5.850 -1.602 1.00 0.00 C ATOM 468 CG2 VAL A 28 -2.103 -7.675 -3.292 1.00 0.00 C ATOM 0 H VAL A 28 -3.612 -6.972 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.697 -6.855 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.130 -5.583 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.333 -5.898 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.754 -4.829 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.936 -6.516 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.040 -7.696 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.632 -8.391 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.243 -7.939 -4.340 1.00 0.00 H new ATOM 478 N GLU A 29 -4.338 -3.964 -4.253 1.00 0.00 N ATOM 479 CA GLU A 29 -4.739 -2.560 -4.267 1.00 0.00 C ATOM 480 C GLU A 29 -6.257 -2.416 -4.178 1.00 0.00 C ATOM 481 O GLU A 29 -6.763 -1.560 -3.453 1.00 0.00 O ATOM 482 CB GLU A 29 -4.224 -1.878 -5.535 1.00 0.00 C ATOM 483 CG GLU A 29 -4.185 -0.363 -5.438 1.00 0.00 C ATOM 484 CD GLU A 29 -4.518 0.329 -6.747 1.00 0.00 C ATOM 485 OE1 GLU A 29 -4.021 -0.120 -7.804 1.00 0.00 O ATOM 486 OE2 GLU A 29 -5.277 1.321 -6.715 1.00 0.00 O ATOM 0 H GLU A 29 -3.807 -4.255 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.300 -2.077 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.221 -2.246 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.858 -2.164 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.889 -0.036 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.192 -0.052 -5.112 1.00 0.00 H new ATOM 493 N HIS A 30 -6.979 -3.262 -4.914 1.00 0.00 N ATOM 494 CA HIS A 30 -8.439 -3.225 -4.908 1.00 0.00 C ATOM 495 C HIS A 30 -8.979 -3.409 -3.491 1.00 0.00 C ATOM 496 O HIS A 30 -9.863 -2.670 -3.053 1.00 0.00 O ATOM 497 CB HIS A 30 -9.001 -4.308 -5.834 1.00 0.00 C ATOM 498 CG HIS A 30 -10.223 -3.889 -6.596 1.00 0.00 C ATOM 499 ND1 HIS A 30 -10.978 -2.779 -6.273 1.00 0.00 N ATOM 500 CD2 HIS A 30 -10.820 -4.444 -7.677 1.00 0.00 C ATOM 501 CE1 HIS A 30 -11.986 -2.673 -7.121 1.00 0.00 C ATOM 502 NE2 HIS A 30 -11.911 -3.670 -7.982 1.00 0.00 N ATOM 0 H HIS A 30 -6.577 -3.978 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.759 -2.249 -5.273 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.227 -4.602 -6.543 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.241 -5.190 -5.240 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.497 -5.331 -8.202 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.742 -1.902 -7.111 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.560 -3.838 -8.751 1.00 0.00 H new ATOM 511 N LYS A 31 -8.436 -4.393 -2.773 1.00 0.00 N ATOM 512 CA LYS A 31 -8.858 -4.670 -1.401 1.00 0.00 C ATOM 513 C LYS A 31 -8.401 -3.560 -0.454 1.00 0.00 C ATOM 514 O LYS A 31 -9.193 -3.052 0.340 1.00 0.00 O ATOM 515 CB LYS A 31 -8.304 -6.015 -0.928 1.00 0.00 C ATOM 516 CG LYS A 31 -9.041 -6.584 0.275 1.00 0.00 C ATOM 517 CD LYS A 31 -8.341 -7.812 0.834 1.00 0.00 C ATOM 518 CE LYS A 31 -9.113 -8.413 2.003 1.00 0.00 C ATOM 519 NZ LYS A 31 -9.958 -9.572 1.586 1.00 0.00 N ATOM 0 H LYS A 31 -7.703 -5.011 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.947 -4.711 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.357 -6.730 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.250 -5.897 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.114 -5.822 1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.060 -6.845 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.231 -8.559 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.337 -7.542 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.411 -8.736 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.746 -7.647 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.464 -9.948 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.646 -9.260 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.353 -10.316 1.183 1.00 0.00 H new ATOM 533 N VAL A 32 -7.122 -3.187 -0.538 1.00 0.00 N ATOM 534 CA VAL A 32 -6.571 -2.138 0.322 1.00 0.00 C ATOM 535 C VAL A 32 -7.320 -0.818 0.138 1.00 0.00 C ATOM 536 O VAL A 32 -7.616 -0.127 1.115 1.00 0.00 O ATOM 537 CB VAL A 32 -5.065 -1.906 0.066 1.00 0.00 C ATOM 538 CG1 VAL A 32 -4.505 -0.879 1.040 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.295 -3.215 0.168 1.00 0.00 C ATOM 0 H VAL A 32 -6.451 -3.594 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.698 -2.487 1.347 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.948 -1.517 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.443 -0.731 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.033 0.066 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.637 -1.236 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.237 -3.030 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.422 -3.635 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.674 -3.919 -0.573 1.00 0.00 H new ATOM 549 N THR A 33 -7.625 -0.474 -1.114 1.00 0.00 N ATOM 550 CA THR A 33 -8.343 0.761 -1.413 1.00 0.00 C ATOM 551 C THR A 33 -9.754 0.735 -0.818 1.00 0.00 C ATOM 552 O THR A 33 -10.225 1.742 -0.302 1.00 0.00 O ATOM 553 CB THR A 33 -8.402 0.999 -2.926 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.094 1.157 -3.453 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.197 2.228 -3.319 1.00 0.00 C ATOM 0 H THR A 33 -7.386 -1.033 -1.933 1.00 0.00 H new ATOM 0 HA THR A 33 -7.798 1.586 -0.954 1.00 0.00 H new ATOM 0 HB THR A 33 -8.901 0.120 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.675 0.277 -3.558 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.194 2.331 -4.404 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.223 2.125 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.746 3.112 -2.869 1.00 0.00 H new ATOM 563 N THR A 34 -10.422 -0.419 -0.882 1.00 0.00 N ATOM 564 CA THR A 34 -11.773 -0.542 -0.332 1.00 0.00 C ATOM 565 C THR A 34 -11.756 -0.546 1.200 1.00 0.00 C ATOM 566 O THR A 34 -12.597 0.093 1.833 1.00 0.00 O ATOM 567 CB THR A 34 -12.469 -1.806 -0.851 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.495 -1.824 -2.268 1.00 0.00 O ATOM 569 CG2 THR A 34 -13.898 -1.940 -0.367 1.00 0.00 C ATOM 0 H THR A 34 -10.055 -1.272 -1.304 1.00 0.00 H new ATOM 0 HA THR A 34 -12.336 0.329 -0.667 1.00 0.00 H new ATOM 0 HB THR A 34 -11.885 -2.638 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.615 -2.090 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.334 -2.854 -0.769 1.00 0.00 H new ATOM 0 HG22 THR A 34 -13.911 -1.980 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.479 -1.082 -0.705 1.00 0.00 H new ATOM 577 N VAL A 35 -10.806 -1.274 1.789 1.00 0.00 N ATOM 578 CA VAL A 35 -10.703 -1.361 3.246 1.00 0.00 C ATOM 579 C VAL A 35 -10.431 0.007 3.876 1.00 0.00 C ATOM 580 O VAL A 35 -11.125 0.414 4.808 1.00 0.00 O ATOM 581 CB VAL A 35 -9.597 -2.345 3.693 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.551 -2.443 5.212 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.809 -3.722 3.074 1.00 0.00 C ATOM 0 H VAL A 35 -10.101 -1.809 1.283 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.668 -1.733 3.592 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.640 -1.960 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.767 -3.140 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.341 -1.460 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.512 -2.799 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.018 -4.395 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.776 -4.117 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.785 -3.640 1.987 1.00 0.00 H new ATOM 593 N PHE A 36 -9.412 0.707 3.374 1.00 0.00 N ATOM 594 CA PHE A 36 -9.051 2.021 3.912 1.00 0.00 C ATOM 595 C PHE A 36 -9.824 3.164 3.244 1.00 0.00 C ATOM 596 O PHE A 36 -9.928 4.252 3.812 1.00 0.00 O ATOM 597 CB PHE A 36 -7.548 2.263 3.766 1.00 0.00 C ATOM 598 CG PHE A 36 -6.697 1.285 4.528 1.00 0.00 C ATOM 599 CD1 PHE A 36 -6.855 1.120 5.896 1.00 0.00 C ATOM 600 CD2 PHE A 36 -5.736 0.531 3.875 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.072 0.222 6.596 1.00 0.00 C ATOM 602 CE2 PHE A 36 -4.950 -0.367 4.568 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.117 -0.521 5.930 1.00 0.00 C ATOM 0 H PHE A 36 -8.826 0.390 2.602 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.324 2.013 4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.283 2.214 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.318 3.273 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.599 1.701 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.600 0.647 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.206 0.101 7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.205 -0.949 4.046 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.501 -1.222 6.474 1.00 0.00 H new ATOM 613 N GLY A 37 -10.358 2.927 2.041 1.00 0.00 N ATOM 614 CA GLY A 37 -11.099 3.964 1.339 1.00 0.00 C ATOM 615 C GLY A 37 -10.296 4.598 0.211 1.00 0.00 C ATOM 616 O GLY A 37 -9.178 4.171 -0.079 1.00 0.00 O ATOM 0 H GLY A 37 -10.289 2.039 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.016 3.538 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.395 4.737 2.048 1.00 0.00 H new ATOM 620 N GLN A 38 -10.870 5.617 -0.425 1.00 0.00 N ATOM 621 CA GLN A 38 -10.200 6.311 -1.528 1.00 0.00 C ATOM 622 C GLN A 38 -10.521 7.804 -1.511 1.00 0.00 C ATOM 623 O GLN A 38 -11.552 8.217 -0.975 1.00 0.00 O ATOM 624 CB GLN A 38 -10.603 5.704 -2.880 1.00 0.00 C ATOM 625 CG GLN A 38 -12.084 5.373 -3.003 1.00 0.00 C ATOM 626 CD GLN A 38 -12.465 4.942 -4.406 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.471 3.751 -4.720 1.00 0.00 O ATOM 628 NE2 GLN A 38 -12.786 5.908 -5.262 1.00 0.00 N ATOM 0 H GLN A 38 -11.795 5.981 -0.198 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.126 6.185 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.332 6.401 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.025 4.794 -3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.335 4.578 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.673 6.246 -2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.768 6.883 -4.961 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.050 5.674 -6.219 1.00 0.00 H new ATOM 637 N PRO A 39 -9.638 8.642 -2.095 1.00 0.00 N ATOM 638 CA PRO A 39 -8.402 8.193 -2.744 1.00 0.00 C ATOM 639 C PRO A 39 -7.242 7.997 -1.763 1.00 0.00 C ATOM 640 O PRO A 39 -7.027 8.818 -0.869 1.00 0.00 O ATOM 641 CB PRO A 39 -8.101 9.342 -3.704 1.00 0.00 C ATOM 642 CG PRO A 39 -8.618 10.556 -3.009 1.00 0.00 C ATOM 643 CD PRO A 39 -9.790 10.109 -2.171 1.00 0.00 C ATOM 0 HA PRO A 39 -8.519 7.219 -3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.032 9.423 -3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.594 9.195 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.844 11.004 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.924 11.314 -3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.769 10.564 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.738 10.389 -2.630 1.00 0.00 H new ATOM 651 N LEU A 40 -6.494 6.906 -1.947 1.00 0.00 N ATOM 652 CA LEU A 40 -5.348 6.599 -1.092 1.00 0.00 C ATOM 653 C LEU A 40 -4.165 6.112 -1.927 1.00 0.00 C ATOM 654 O LEU A 40 -4.313 5.216 -2.760 1.00 0.00 O ATOM 655 CB LEU A 40 -5.719 5.531 -0.054 1.00 0.00 C ATOM 656 CG LEU A 40 -6.811 5.926 0.942 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.147 4.755 1.849 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.384 7.131 1.768 1.00 0.00 C ATOM 0 H LEU A 40 -6.663 6.220 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.062 7.515 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.042 4.634 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.821 5.266 0.505 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.703 6.200 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.925 5.051 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.501 3.918 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.256 4.454 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.178 7.392 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.477 6.890 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.192 7.976 1.107 1.00 0.00 H new ATOM 670 N ASP A 41 -2.988 6.698 -1.694 1.00 0.00 N ATOM 671 CA ASP A 41 -1.778 6.313 -2.421 1.00 0.00 C ATOM 672 C ASP A 41 -0.856 5.478 -1.533 1.00 0.00 C ATOM 673 O ASP A 41 -0.697 5.769 -0.345 1.00 0.00 O ATOM 674 CB ASP A 41 -1.031 7.554 -2.927 1.00 0.00 C ATOM 675 CG ASP A 41 -1.646 8.147 -4.182 1.00 0.00 C ATOM 676 OD1 ASP A 41 -1.923 7.382 -5.133 1.00 0.00 O ATOM 677 OD2 ASP A 41 -1.847 9.380 -4.217 1.00 0.00 O ATOM 0 H ASP A 41 -2.848 7.440 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.079 5.711 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.021 8.310 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.007 7.289 -3.128 1.00 0.00 H new ATOM 682 N LEU A 42 -0.247 4.442 -2.114 1.00 0.00 N ATOM 683 CA LEU A 42 0.662 3.565 -1.372 1.00 0.00 C ATOM 684 C LEU A 42 2.109 4.051 -1.490 1.00 0.00 C ATOM 685 O LEU A 42 2.725 3.948 -2.553 1.00 0.00 O ATOM 686 CB LEU A 42 0.549 2.123 -1.883 1.00 0.00 C ATOM 687 CG LEU A 42 -0.735 1.390 -1.480 1.00 0.00 C ATOM 688 CD1 LEU A 42 -0.905 0.118 -2.297 1.00 0.00 C ATOM 689 CD2 LEU A 42 -0.725 1.071 0.008 1.00 0.00 C ATOM 0 H LEU A 42 -0.367 4.190 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 42 0.374 3.592 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.617 2.133 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.404 1.555 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.581 2.045 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.822 -0.388 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.961 0.370 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.054 -0.541 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.645 0.551 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.131 0.436 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.654 1.997 0.578 1.00 0.00 H new ATOM 701 N HIS A 43 2.642 4.588 -0.391 1.00 0.00 N ATOM 702 CA HIS A 43 4.010 5.099 -0.368 1.00 0.00 C ATOM 703 C HIS A 43 4.928 4.206 0.469 1.00 0.00 C ATOM 704 O HIS A 43 4.730 4.053 1.676 1.00 0.00 O ATOM 705 CB HIS A 43 4.030 6.526 0.183 1.00 0.00 C ATOM 706 CG HIS A 43 4.986 7.430 -0.531 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.645 8.694 -0.963 1.00 0.00 N ATOM 708 CD2 HIS A 43 6.277 7.247 -0.890 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.686 9.250 -1.557 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.690 8.391 -1.526 1.00 0.00 N ATOM 0 H HIS A 43 2.145 4.679 0.495 1.00 0.00 H new ATOM 0 HA HIS A 43 4.382 5.100 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.027 6.946 0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.293 6.495 1.240 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.873 6.364 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.712 10.238 -1.993 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.620 8.552 -1.912 1.00 0.00 H new ATOM 719 N TYR A 44 5.936 3.630 -0.184 1.00 0.00 N ATOM 720 CA TYR A 44 6.895 2.761 0.488 1.00 0.00 C ATOM 721 C TYR A 44 8.146 3.551 0.882 1.00 0.00 C ATOM 722 O TYR A 44 8.785 4.180 0.036 1.00 0.00 O ATOM 723 CB TYR A 44 7.264 1.586 -0.429 1.00 0.00 C ATOM 724 CG TYR A 44 8.454 0.773 0.042 1.00 0.00 C ATOM 725 CD1 TYR A 44 9.752 1.203 -0.206 1.00 0.00 C ATOM 726 CD2 TYR A 44 8.279 -0.422 0.728 1.00 0.00 C ATOM 727 CE1 TYR A 44 10.841 0.464 0.218 1.00 0.00 C ATOM 728 CE2 TYR A 44 9.361 -1.167 1.153 1.00 0.00 C ATOM 729 CZ TYR A 44 10.641 -0.721 0.897 1.00 0.00 C ATOM 730 OH TYR A 44 11.721 -1.462 1.322 1.00 0.00 O ATOM 0 H TYR A 44 6.108 3.752 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 44 6.441 2.367 1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.401 0.926 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.475 1.972 -1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.913 2.129 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.279 -0.775 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.844 0.812 0.019 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.206 -2.095 1.684 1.00 0.00 H new ATOM 0 HH TYR A 44 12.361 -0.876 1.778 1.00 0.00 H new ATOM 740 N MET A 45 8.488 3.514 2.168 1.00 0.00 N ATOM 741 CA MET A 45 9.664 4.224 2.675 1.00 0.00 C ATOM 742 C MET A 45 10.677 3.239 3.251 1.00 0.00 C ATOM 743 O MET A 45 10.343 2.433 4.120 1.00 0.00 O ATOM 744 CB MET A 45 9.257 5.240 3.747 1.00 0.00 C ATOM 745 CG MET A 45 8.083 6.123 3.347 1.00 0.00 C ATOM 746 SD MET A 45 7.576 7.244 4.665 1.00 0.00 S ATOM 747 CE MET A 45 9.048 8.248 4.848 1.00 0.00 C ATOM 0 H MET A 45 7.968 3.000 2.880 1.00 0.00 H new ATOM 0 HA MET A 45 10.125 4.756 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.001 4.705 4.662 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.114 5.874 3.977 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.354 6.704 2.466 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.239 5.493 3.066 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.798 9.167 5.377 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.797 7.695 5.415 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.446 8.493 3.863 1.00 0.00 H new ATOM 757 N ASN A 46 11.917 3.311 2.767 1.00 0.00 N ATOM 758 CA ASN A 46 12.974 2.421 3.244 1.00 0.00 C ATOM 759 C ASN A 46 13.665 3.010 4.472 1.00 0.00 C ATOM 760 O ASN A 46 13.776 2.352 5.507 1.00 0.00 O ATOM 761 CB ASN A 46 13.998 2.162 2.133 1.00 0.00 C ATOM 762 CG ASN A 46 14.547 0.747 2.167 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.911 -0.167 2.693 1.00 0.00 O ATOM 764 ND2 ASN A 46 15.735 0.555 1.604 1.00 0.00 N ATOM 0 H ASN A 46 12.213 3.973 2.049 1.00 0.00 H new ATOM 0 HA ASN A 46 12.518 1.473 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.532 2.345 1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.821 2.870 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.152 -0.376 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.230 1.339 1.178 1.00 0.00 H new ATOM 771 N ASN A 47 14.118 4.257 4.345 1.00 0.00 N ATOM 772 CA ASN A 47 14.795 4.960 5.435 1.00 0.00 C ATOM 773 C ASN A 47 15.055 6.414 5.049 1.00 0.00 C ATOM 774 O ASN A 47 14.537 7.337 5.680 1.00 0.00 O ATOM 775 CB ASN A 47 16.114 4.266 5.795 1.00 0.00 C ATOM 776 CG ASN A 47 16.166 3.847 7.252 1.00 0.00 C ATOM 777 OD1 ASN A 47 16.668 4.580 8.103 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.645 2.660 7.547 1.00 0.00 N ATOM 0 H ASN A 47 14.027 4.805 3.490 1.00 0.00 H new ATOM 0 HA ASN A 47 14.144 4.938 6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.244 3.388 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.945 4.938 5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.652 2.325 8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.239 2.084 6.810 1.00 0.00 H new ATOM 785 N GLU A 48 15.859 6.606 4.004 1.00 0.00 N ATOM 786 CA GLU A 48 16.191 7.943 3.518 1.00 0.00 C ATOM 787 C GLU A 48 15.515 8.238 2.174 1.00 0.00 C ATOM 788 O GLU A 48 15.282 9.400 1.836 1.00 0.00 O ATOM 789 CB GLU A 48 17.708 8.093 3.379 1.00 0.00 C ATOM 790 CG GLU A 48 18.430 8.247 4.708 1.00 0.00 C ATOM 791 CD GLU A 48 19.703 9.063 4.590 1.00 0.00 C ATOM 792 OE1 GLU A 48 19.605 10.288 4.358 1.00 0.00 O ATOM 793 OE2 GLU A 48 20.798 8.480 4.727 1.00 0.00 O ATOM 0 H GLU A 48 16.294 5.849 3.476 1.00 0.00 H new ATOM 0 HA GLU A 48 15.820 8.662 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.105 7.221 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.923 8.961 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.763 8.723 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.671 7.260 5.103 1.00 0.00 H new ATOM 800 N LEU A 49 15.204 7.186 1.404 1.00 0.00 N ATOM 801 CA LEU A 49 14.563 7.351 0.102 1.00 0.00 C ATOM 802 C LEU A 49 13.133 6.815 0.120 1.00 0.00 C ATOM 803 O LEU A 49 12.821 5.870 0.850 1.00 0.00 O ATOM 804 CB LEU A 49 15.371 6.638 -0.987 1.00 0.00 C ATOM 805 CG LEU A 49 16.332 7.533 -1.778 1.00 0.00 C ATOM 806 CD1 LEU A 49 17.637 6.800 -2.053 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.688 7.989 -3.083 1.00 0.00 C ATOM 0 H LEU A 49 15.387 6.217 1.663 1.00 0.00 H new ATOM 0 HA LEU A 49 14.529 8.418 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.945 5.835 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.676 6.171 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 49 16.553 8.416 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.308 7.450 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.106 6.525 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.433 5.900 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.385 8.623 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.437 7.118 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.781 8.552 -2.864 1.00 0.00 H new ATOM 819 N SER A 50 12.271 7.427 -0.694 1.00 0.00 N ATOM 820 CA SER A 50 10.870 7.022 -0.784 1.00 0.00 C ATOM 821 C SER A 50 10.559 6.429 -2.158 1.00 0.00 C ATOM 822 O SER A 50 10.898 7.016 -3.187 1.00 0.00 O ATOM 823 CB SER A 50 9.947 8.215 -0.517 1.00 0.00 C ATOM 824 OG SER A 50 10.459 9.044 0.515 1.00 0.00 O ATOM 0 H SER A 50 12.521 8.207 -1.302 1.00 0.00 H new ATOM 0 HA SER A 50 10.695 6.258 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.830 8.798 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.956 7.856 -0.239 1.00 0.00 H new ATOM 0 HG SER A 50 9.850 9.797 0.662 1.00 0.00 H new ATOM 830 N ILE A 51 9.911 5.267 -2.161 1.00 0.00 N ATOM 831 CA ILE A 51 9.546 4.586 -3.402 1.00 0.00 C ATOM 832 C ILE A 51 8.036 4.371 -3.482 1.00 0.00 C ATOM 833 O ILE A 51 7.410 3.937 -2.515 1.00 0.00 O ATOM 834 CB ILE A 51 10.262 3.221 -3.530 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.762 3.367 -3.240 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.040 2.626 -4.914 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.508 2.050 -3.213 1.00 0.00 C ATOM 0 H ILE A 51 9.626 4.775 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 51 9.864 5.228 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 51 9.835 2.541 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.208 4.012 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.890 3.867 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.552 1.666 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.973 2.481 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.437 3.304 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.562 2.233 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.089 1.410 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.412 1.557 -4.180 1.00 0.00 H new ATOM 849 N LEU A 52 7.454 4.678 -4.640 1.00 0.00 N ATOM 850 CA LEU A 52 6.017 4.516 -4.844 1.00 0.00 C ATOM 851 C LEU A 52 5.730 3.299 -5.718 1.00 0.00 C ATOM 852 O LEU A 52 6.246 3.192 -6.830 1.00 0.00 O ATOM 853 CB LEU A 52 5.423 5.767 -5.494 1.00 0.00 C ATOM 854 CG LEU A 52 5.621 7.067 -4.710 1.00 0.00 C ATOM 855 CD1 LEU A 52 6.892 7.773 -5.161 1.00 0.00 C ATOM 856 CD2 LEU A 52 4.412 7.977 -4.879 1.00 0.00 C ATOM 0 H LEU A 52 7.956 5.040 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 52 5.554 4.367 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.865 5.887 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.354 5.609 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 52 5.723 6.823 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.017 8.695 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.750 7.123 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.821 8.008 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.568 8.897 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.281 8.215 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.521 7.471 -4.508 1.00 0.00 H new ATOM 868 N LEU A 53 4.904 2.389 -5.209 1.00 0.00 N ATOM 869 CA LEU A 53 4.549 1.178 -5.946 1.00 0.00 C ATOM 870 C LEU A 53 3.282 1.398 -6.768 1.00 0.00 C ATOM 871 O LEU A 53 2.170 1.206 -6.275 1.00 0.00 O ATOM 872 CB LEU A 53 4.353 -0.002 -4.985 1.00 0.00 C ATOM 873 CG LEU A 53 5.380 -0.103 -3.853 1.00 0.00 C ATOM 874 CD1 LEU A 53 4.864 0.589 -2.599 1.00 0.00 C ATOM 875 CD2 LEU A 53 5.711 -1.562 -3.563 1.00 0.00 C ATOM 0 H LEU A 53 4.468 2.466 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 53 5.369 0.944 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.358 0.070 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.380 -0.927 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 53 6.293 0.401 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.607 0.507 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.678 1.641 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.936 0.115 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.442 -1.616 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.804 -2.089 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.124 -2.026 -4.458 1.00 0.00 H new ATOM 887 N LYS A 54 3.457 1.799 -8.026 1.00 0.00 N ATOM 888 CA LYS A 54 2.323 2.040 -8.918 1.00 0.00 C ATOM 889 C LYS A 54 2.264 0.989 -10.034 1.00 0.00 C ATOM 890 O LYS A 54 1.800 1.272 -11.141 1.00 0.00 O ATOM 891 CB LYS A 54 2.407 3.450 -9.515 1.00 0.00 C ATOM 892 CG LYS A 54 1.997 4.550 -8.546 1.00 0.00 C ATOM 893 CD LYS A 54 1.495 5.786 -9.279 1.00 0.00 C ATOM 894 CE LYS A 54 1.065 6.882 -8.312 1.00 0.00 C ATOM 895 NZ LYS A 54 -0.117 6.484 -7.492 1.00 0.00 N ATOM 0 H LYS A 54 4.370 1.964 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 54 1.408 1.959 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.428 3.634 -9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.770 3.500 -10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.216 4.178 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.847 4.819 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.281 6.165 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.654 5.514 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.897 7.127 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.827 7.786 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.466 7.308 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.869 6.130 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.159 5.736 -6.825 1.00 0.00 H new ATOM 909 N ASN A 55 2.735 -0.227 -9.731 1.00 0.00 N ATOM 910 CA ASN A 55 2.737 -1.326 -10.701 1.00 0.00 C ATOM 911 C ASN A 55 3.238 -2.623 -10.057 1.00 0.00 C ATOM 912 O ASN A 55 3.788 -2.605 -8.953 1.00 0.00 O ATOM 913 CB ASN A 55 3.597 -0.973 -11.927 1.00 0.00 C ATOM 914 CG ASN A 55 4.951 -0.380 -11.563 1.00 0.00 C ATOM 915 OD1 ASN A 55 5.032 0.687 -10.955 1.00 0.00 O ATOM 916 ND2 ASN A 55 6.024 -1.068 -11.939 1.00 0.00 N ATOM 0 H ASN A 55 3.120 -0.474 -8.819 1.00 0.00 H new ATOM 0 HA ASN A 55 1.710 -1.480 -11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.751 -1.871 -12.525 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.054 -0.264 -12.551 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.957 -0.715 -11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.915 -1.949 -12.442 1.00 0.00 H new ATOM 923 N GLN A 56 3.042 -3.744 -10.756 1.00 0.00 N ATOM 924 CA GLN A 56 3.467 -5.053 -10.259 1.00 0.00 C ATOM 925 C GLN A 56 4.988 -5.120 -10.098 1.00 0.00 C ATOM 926 O GLN A 56 5.487 -5.715 -9.143 1.00 0.00 O ATOM 927 CB GLN A 56 2.996 -6.162 -11.211 1.00 0.00 C ATOM 928 CG GLN A 56 3.353 -7.571 -10.749 1.00 0.00 C ATOM 929 CD GLN A 56 2.443 -8.084 -9.649 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.499 -7.407 -9.240 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.721 -9.289 -9.162 1.00 0.00 N ATOM 0 H GLN A 56 2.590 -3.770 -11.670 1.00 0.00 H new ATOM 0 HA GLN A 56 3.013 -5.200 -9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.914 -6.092 -11.327 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.433 -5.992 -12.195 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.303 -8.250 -11.600 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.384 -7.581 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.513 -9.817 -9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.143 -9.686 -8.421 1.00 0.00 H new ATOM 940 N ASP A 57 5.714 -4.518 -11.041 1.00 0.00 N ATOM 941 CA ASP A 57 7.178 -4.517 -11.004 1.00 0.00 C ATOM 942 C ASP A 57 7.702 -3.929 -9.690 1.00 0.00 C ATOM 943 O ASP A 57 8.619 -4.480 -9.082 1.00 0.00 O ATOM 944 CB ASP A 57 7.748 -3.734 -12.190 1.00 0.00 C ATOM 945 CG ASP A 57 9.001 -4.372 -12.759 1.00 0.00 C ATOM 946 OD1 ASP A 57 8.872 -5.269 -13.618 1.00 0.00 O ATOM 947 OD2 ASP A 57 10.111 -3.977 -12.343 1.00 0.00 O ATOM 0 H ASP A 57 5.313 -4.025 -11.839 1.00 0.00 H new ATOM 0 HA ASP A 57 7.509 -5.553 -11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.992 -3.665 -12.972 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.974 -2.716 -11.874 1.00 0.00 H new ATOM 952 N ASP A 58 7.112 -2.810 -9.261 1.00 0.00 N ATOM 953 CA ASP A 58 7.525 -2.153 -8.018 1.00 0.00 C ATOM 954 C ASP A 58 7.242 -3.041 -6.810 1.00 0.00 C ATOM 955 O ASP A 58 8.096 -3.207 -5.937 1.00 0.00 O ATOM 956 CB ASP A 58 6.810 -0.805 -7.853 1.00 0.00 C ATOM 957 CG ASP A 58 7.652 0.372 -8.310 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.877 0.369 -8.060 1.00 0.00 O ATOM 959 OD2 ASP A 58 7.082 1.304 -8.916 1.00 0.00 O ATOM 0 H ASP A 58 6.351 -2.342 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 58 8.599 -1.978 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.880 -0.821 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.542 -0.668 -6.805 1.00 0.00 H new ATOM 964 N LEU A 59 6.040 -3.616 -6.768 1.00 0.00 N ATOM 965 CA LEU A 59 5.651 -4.497 -5.669 1.00 0.00 C ATOM 966 C LEU A 59 6.571 -5.713 -5.602 1.00 0.00 C ATOM 967 O LEU A 59 6.973 -6.133 -4.518 1.00 0.00 O ATOM 968 CB LEU A 59 4.197 -4.947 -5.833 1.00 0.00 C ATOM 969 CG LEU A 59 3.639 -5.768 -4.668 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.467 -4.895 -3.431 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.319 -6.415 -5.062 1.00 0.00 C ATOM 0 H LEU A 59 5.321 -3.488 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 59 5.743 -3.939 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.572 -4.064 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.116 -5.537 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 59 4.350 -6.558 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.069 -5.497 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.433 -4.481 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.776 -4.082 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.934 -6.996 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.599 -5.641 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.477 -7.073 -5.917 1.00 0.00 H new ATOM 983 N ASP A 60 6.906 -6.268 -6.769 1.00 0.00 N ATOM 984 CA ASP A 60 7.788 -7.430 -6.841 1.00 0.00 C ATOM 985 C ASP A 60 9.159 -7.100 -6.256 1.00 0.00 C ATOM 986 O ASP A 60 9.734 -7.895 -5.510 1.00 0.00 O ATOM 987 CB ASP A 60 7.941 -7.901 -8.291 1.00 0.00 C ATOM 988 CG ASP A 60 8.399 -9.342 -8.382 1.00 0.00 C ATOM 989 OD1 ASP A 60 9.622 -9.586 -8.289 1.00 0.00 O ATOM 990 OD2 ASP A 60 7.536 -10.231 -8.549 1.00 0.00 O ATOM 0 H ASP A 60 6.579 -5.931 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 60 7.339 -8.232 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.988 -7.792 -8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.658 -7.261 -8.805 1.00 0.00 H new ATOM 995 N LYS A 61 9.674 -5.919 -6.597 1.00 0.00 N ATOM 996 CA LYS A 61 10.975 -5.472 -6.104 1.00 0.00 C ATOM 997 C LYS A 61 10.946 -5.266 -4.589 1.00 0.00 C ATOM 998 O LYS A 61 11.912 -5.589 -3.896 1.00 0.00 O ATOM 999 CB LYS A 61 11.391 -4.175 -6.803 1.00 0.00 C ATOM 1000 CG LYS A 61 11.763 -4.364 -8.263 1.00 0.00 C ATOM 1001 CD LYS A 61 12.107 -3.041 -8.929 1.00 0.00 C ATOM 1002 CE LYS A 61 13.481 -3.089 -9.582 1.00 0.00 C ATOM 1003 NZ LYS A 61 14.539 -2.518 -8.700 1.00 0.00 N ATOM 0 H LYS A 61 9.208 -5.254 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 61 11.707 -6.248 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.574 -3.457 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.240 -3.743 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.614 -5.041 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.934 -4.834 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.354 -2.803 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.082 -2.242 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.731 -4.122 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.455 -2.537 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.459 -2.570 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.315 -1.525 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.582 -3.060 -7.814 1.00 0.00 H new ATOM 1017 N ALA A 62 9.833 -4.733 -4.082 1.00 0.00 N ATOM 1018 CA ALA A 62 9.681 -4.492 -2.647 1.00 0.00 C ATOM 1019 C ALA A 62 9.737 -5.801 -1.863 1.00 0.00 C ATOM 1020 O ALA A 62 10.362 -5.870 -0.805 1.00 0.00 O ATOM 1021 CB ALA A 62 8.380 -3.758 -2.359 1.00 0.00 C ATOM 0 H ALA A 62 9.026 -4.461 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 62 10.512 -3.865 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.287 -3.589 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.380 -2.800 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.539 -4.358 -2.706 1.00 0.00 H new ATOM 1027 N ILE A 63 9.088 -6.841 -2.394 1.00 0.00 N ATOM 1028 CA ILE A 63 9.083 -8.146 -1.738 1.00 0.00 C ATOM 1029 C ILE A 63 10.490 -8.736 -1.702 1.00 0.00 C ATOM 1030 O ILE A 63 10.917 -9.268 -0.679 1.00 0.00 O ATOM 1031 CB ILE A 63 8.133 -9.149 -2.434 1.00 0.00 C ATOM 1032 CG1 ILE A 63 6.722 -8.562 -2.551 1.00 0.00 C ATOM 1033 CG2 ILE A 63 8.101 -10.465 -1.663 1.00 0.00 C ATOM 1034 CD1 ILE A 63 5.923 -9.129 -3.703 1.00 0.00 C ATOM 0 H ILE A 63 8.564 -6.803 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 63 8.722 -7.982 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 63 8.507 -9.342 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.183 -8.745 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.796 -7.481 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.429 -11.163 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.104 -10.890 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.747 -10.284 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.936 -8.667 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.439 -8.923 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.817 -10.206 -3.577 1.00 0.00 H new ATOM 1046 N ASP A 64 11.204 -8.634 -2.824 1.00 0.00 N ATOM 1047 CA ASP A 64 12.568 -9.158 -2.920 1.00 0.00 C ATOM 1048 C ASP A 64 13.458 -8.589 -1.815 1.00 0.00 C ATOM 1049 O ASP A 64 14.211 -9.326 -1.177 1.00 0.00 O ATOM 1050 CB ASP A 64 13.171 -8.833 -4.294 1.00 0.00 C ATOM 1051 CG ASP A 64 12.959 -9.943 -5.308 1.00 0.00 C ATOM 1052 OD1 ASP A 64 11.872 -10.560 -5.302 1.00 0.00 O ATOM 1053 OD2 ASP A 64 13.882 -10.194 -6.112 1.00 0.00 O ATOM 0 H ASP A 64 10.861 -8.194 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 64 12.518 -10.240 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.727 -7.912 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.239 -8.649 -4.182 1.00 0.00 H new ATOM 1058 N ILE A 65 13.365 -7.278 -1.592 1.00 0.00 N ATOM 1059 CA ILE A 65 14.166 -6.620 -0.560 1.00 0.00 C ATOM 1060 C ILE A 65 13.729 -7.050 0.844 1.00 0.00 C ATOM 1061 O ILE A 65 14.568 -7.350 1.691 1.00 0.00 O ATOM 1062 CB ILE A 65 14.082 -5.080 -0.662 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.432 -4.611 -2.078 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.011 -4.432 0.358 1.00 0.00 C ATOM 1065 CD1 ILE A 65 14.017 -3.184 -2.365 1.00 0.00 C ATOM 0 H ILE A 65 12.746 -6.653 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 65 15.198 -6.929 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 65 13.058 -4.776 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.508 -4.704 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.952 -5.272 -2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.942 -3.347 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.719 -4.739 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.037 -4.746 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.297 -2.922 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.937 -3.089 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.517 -2.512 -1.668 1.00 0.00 H new ATOM 1077 N LEU A 66 12.415 -7.076 1.079 1.00 0.00 N ATOM 1078 CA LEU A 66 11.870 -7.465 2.383 1.00 0.00 C ATOM 1079 C LEU A 66 12.161 -8.936 2.683 1.00 0.00 C ATOM 1080 O LEU A 66 12.629 -9.273 3.771 1.00 0.00 O ATOM 1081 CB LEU A 66 10.355 -7.207 2.406 1.00 0.00 C ATOM 1082 CG LEU A 66 9.581 -7.766 3.611 1.00 0.00 C ATOM 1083 CD1 LEU A 66 9.377 -9.269 3.486 1.00 0.00 C ATOM 1084 CD2 LEU A 66 10.281 -7.422 4.919 1.00 0.00 C ATOM 0 H LEU A 66 11.709 -6.833 0.384 1.00 0.00 H new ATOM 0 HA LEU A 66 12.352 -6.864 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.192 -6.130 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.924 -7.629 1.498 1.00 0.00 H new ATOM 0 HG LEU A 66 8.598 -7.294 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.827 -9.635 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.812 -9.485 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.346 -9.765 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.712 -7.830 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.283 -7.851 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.350 -6.339 5.021 1.00 0.00 H new ATOM 1096 N ASP A 67 11.885 -9.802 1.710 1.00 0.00 N ATOM 1097 CA ASP A 67 12.118 -11.239 1.862 1.00 0.00 C ATOM 1098 C ASP A 67 13.593 -11.537 2.128 1.00 0.00 C ATOM 1099 O ASP A 67 13.920 -12.380 2.964 1.00 0.00 O ATOM 1100 CB ASP A 67 11.654 -11.992 0.611 1.00 0.00 C ATOM 1101 CG ASP A 67 11.221 -13.416 0.917 1.00 0.00 C ATOM 1102 OD1 ASP A 67 10.094 -13.598 1.424 1.00 0.00 O ATOM 1103 OD2 ASP A 67 12.009 -14.346 0.648 1.00 0.00 O ATOM 0 H ASP A 67 11.499 -9.534 0.805 1.00 0.00 H new ATOM 0 HA ASP A 67 11.539 -11.579 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.824 -11.454 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.463 -12.010 -0.119 1.00 0.00 H new ATOM 1108 N ARG A 68 14.477 -10.844 1.410 1.00 0.00 N ATOM 1109 CA ARG A 68 15.918 -11.040 1.570 1.00 0.00 C ATOM 1110 C ARG A 68 16.432 -10.416 2.869 1.00 0.00 C ATOM 1111 O ARG A 68 17.384 -10.919 3.469 1.00 0.00 O ATOM 1112 CB ARG A 68 16.672 -10.450 0.378 1.00 0.00 C ATOM 1113 CG ARG A 68 18.018 -11.113 0.124 1.00 0.00 C ATOM 1114 CD ARG A 68 19.173 -10.148 0.352 1.00 0.00 C ATOM 1115 NE ARG A 68 19.278 -9.151 -0.714 1.00 0.00 N ATOM 1116 CZ ARG A 68 18.843 -7.888 -0.615 1.00 0.00 C ATOM 1117 NH1 ARG A 68 18.271 -7.447 0.506 1.00 0.00 N ATOM 1118 NH2 ARG A 68 18.984 -7.059 -1.644 1.00 0.00 N ATOM 0 H ARG A 68 14.222 -10.144 0.714 1.00 0.00 H new ATOM 0 HA ARG A 68 16.098 -12.114 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.055 -10.545 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.827 -9.384 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.129 -11.975 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.052 -11.486 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.039 -9.642 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.106 -10.709 0.416 1.00 0.00 H new ATOM 0 HE ARG A 68 19.712 -9.437 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.160 -8.074 1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.945 -6.483 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.422 -7.385 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.654 -6.097 -1.572 1.00 0.00 H new ATOM 1132 N SER A 69 15.800 -9.323 3.300 1.00 0.00 N ATOM 1133 CA SER A 69 16.198 -8.640 4.530 1.00 0.00 C ATOM 1134 C SER A 69 15.615 -9.348 5.753 1.00 0.00 C ATOM 1135 O SER A 69 14.402 -9.341 5.962 1.00 0.00 O ATOM 1136 CB SER A 69 15.750 -7.171 4.504 1.00 0.00 C ATOM 1137 OG SER A 69 14.337 -7.047 4.622 1.00 0.00 O ATOM 0 H SER A 69 15.012 -8.893 2.816 1.00 0.00 H new ATOM 0 HA SER A 69 17.286 -8.670 4.597 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.232 -6.630 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.079 -6.707 3.574 1.00 0.00 H new ATOM 0 HG SER A 69 13.965 -7.876 4.989 1.00 0.00 H new ATOM 1143 N SER A 70 16.486 -9.956 6.555 1.00 0.00 N ATOM 1144 CA SER A 70 16.057 -10.669 7.759 1.00 0.00 C ATOM 1145 C SER A 70 15.594 -9.691 8.842 1.00 0.00 C ATOM 1146 O SER A 70 14.725 -10.020 9.650 1.00 0.00 O ATOM 1147 CB SER A 70 17.191 -11.544 8.297 1.00 0.00 C ATOM 1148 OG SER A 70 17.439 -12.645 7.438 1.00 0.00 O ATOM 0 H SER A 70 17.493 -9.970 6.394 1.00 0.00 H new ATOM 0 HA SER A 70 15.215 -11.306 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.097 -10.947 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.934 -11.906 9.292 1.00 0.00 H new ATOM 0 HG SER A 70 18.169 -13.187 7.804 1.00 0.00 H new ATOM 1154 N SER A 71 16.178 -8.491 8.854 1.00 0.00 N ATOM 1155 CA SER A 71 15.825 -7.466 9.839 1.00 0.00 C ATOM 1156 C SER A 71 14.339 -7.099 9.763 1.00 0.00 C ATOM 1157 O SER A 71 13.717 -6.796 10.782 1.00 0.00 O ATOM 1158 CB SER A 71 16.681 -6.212 9.635 1.00 0.00 C ATOM 1159 OG SER A 71 17.043 -6.048 8.275 1.00 0.00 O ATOM 0 H SER A 71 16.899 -8.205 8.192 1.00 0.00 H new ATOM 0 HA SER A 71 16.021 -7.880 10.828 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.130 -5.335 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.581 -6.280 10.247 1.00 0.00 H new ATOM 0 HG SER A 71 17.900 -6.494 8.109 1.00 0.00 H new ATOM 1165 N MET A 72 13.777 -7.128 8.555 1.00 0.00 N ATOM 1166 CA MET A 72 12.368 -6.795 8.356 1.00 0.00 C ATOM 1167 C MET A 72 11.564 -8.030 7.948 1.00 0.00 C ATOM 1168 O MET A 72 12.038 -8.859 7.170 1.00 0.00 O ATOM 1169 CB MET A 72 12.233 -5.707 7.289 1.00 0.00 C ATOM 1170 CG MET A 72 11.051 -4.779 7.513 1.00 0.00 C ATOM 1171 SD MET A 72 11.302 -3.147 6.789 1.00 0.00 S ATOM 1172 CE MET A 72 12.174 -2.316 8.115 1.00 0.00 C ATOM 0 H MET A 72 14.275 -7.378 7.701 1.00 0.00 H new ATOM 0 HA MET A 72 11.969 -6.425 9.300 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.149 -5.116 7.266 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.134 -6.179 6.311 1.00 0.00 H new ATOM 0 HG2 MET A 72 10.155 -5.228 7.085 1.00 0.00 H new ATOM 0 HG3 MET A 72 10.874 -4.674 8.583 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.400 -1.292 7.816 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.551 -2.304 9.009 1.00 0.00 H new ATOM 0 HE3 MET A 72 13.103 -2.845 8.327 1.00 0.00 H new ATOM 1182 N LYS A 73 10.343 -8.141 8.476 1.00 0.00 N ATOM 1183 CA LYS A 73 9.468 -9.272 8.162 1.00 0.00 C ATOM 1184 C LYS A 73 8.215 -8.809 7.415 1.00 0.00 C ATOM 1185 O LYS A 73 7.811 -9.427 6.429 1.00 0.00 O ATOM 1186 CB LYS A 73 9.079 -10.020 9.441 1.00 0.00 C ATOM 1187 CG LYS A 73 9.957 -11.229 9.724 1.00 0.00 C ATOM 1188 CD LYS A 73 9.402 -12.076 10.859 1.00 0.00 C ATOM 1189 CE LYS A 73 10.068 -13.444 10.911 1.00 0.00 C ATOM 1190 NZ LYS A 73 9.098 -14.527 11.240 1.00 0.00 N ATOM 0 H LYS A 73 9.939 -7.463 9.122 1.00 0.00 H new ATOM 0 HA LYS A 73 10.018 -9.952 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.135 -9.334 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.041 -10.344 9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.040 -11.837 8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.964 -10.896 9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.553 -11.560 11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.326 -12.198 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.535 -13.656 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.863 -13.432 11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.594 -15.441 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.670 -14.339 12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.352 -14.557 10.516 1.00 0.00 H new ATOM 1204 N SER A 74 7.606 -7.718 7.885 1.00 0.00 N ATOM 1205 CA SER A 74 6.405 -7.174 7.253 1.00 0.00 C ATOM 1206 C SER A 74 6.754 -5.978 6.366 1.00 0.00 C ATOM 1207 O SER A 74 7.887 -5.491 6.387 1.00 0.00 O ATOM 1208 CB SER A 74 5.386 -6.755 8.319 1.00 0.00 C ATOM 1209 OG SER A 74 4.944 -7.870 9.077 1.00 0.00 O ATOM 0 H SER A 74 7.926 -7.195 8.700 1.00 0.00 H new ATOM 0 HA SER A 74 5.966 -7.953 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.834 -6.016 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.532 -6.277 7.840 1.00 0.00 H new ATOM 0 HG SER A 74 4.297 -7.572 9.750 1.00 0.00 H new ATOM 1215 N LEU A 75 5.778 -5.507 5.589 1.00 0.00 N ATOM 1216 CA LEU A 75 5.992 -4.365 4.698 1.00 0.00 C ATOM 1217 C LEU A 75 5.626 -3.057 5.396 1.00 0.00 C ATOM 1218 O LEU A 75 4.484 -2.870 5.820 1.00 0.00 O ATOM 1219 CB LEU A 75 5.160 -4.518 3.416 1.00 0.00 C ATOM 1220 CG LEU A 75 5.963 -4.758 2.131 1.00 0.00 C ATOM 1221 CD1 LEU A 75 6.883 -3.583 1.839 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.761 -6.051 2.235 1.00 0.00 C ATOM 0 H LEU A 75 4.836 -5.896 5.558 1.00 0.00 H new ATOM 0 HA LEU A 75 7.049 -4.339 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.467 -5.348 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.558 -3.619 3.285 1.00 0.00 H new ATOM 0 HG LEU A 75 5.260 -4.851 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.441 -3.777 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.289 -2.677 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.579 -3.451 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.325 -6.206 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.451 -5.986 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.080 -6.888 2.388 1.00 0.00 H new ATOM 1234 N ARG A 76 6.599 -2.153 5.509 1.00 0.00 N ATOM 1235 CA ARG A 76 6.372 -0.859 6.151 1.00 0.00 C ATOM 1236 C ARG A 76 5.956 0.188 5.116 1.00 0.00 C ATOM 1237 O ARG A 76 6.744 1.066 4.752 1.00 0.00 O ATOM 1238 CB ARG A 76 7.629 -0.402 6.901 1.00 0.00 C ATOM 1239 CG ARG A 76 7.850 -1.118 8.224 1.00 0.00 C ATOM 1240 CD ARG A 76 6.803 -0.730 9.258 1.00 0.00 C ATOM 1241 NE ARG A 76 6.364 -1.878 10.052 1.00 0.00 N ATOM 1242 CZ ARG A 76 7.046 -2.377 11.087 1.00 0.00 C ATOM 1243 NH1 ARG A 76 8.205 -1.834 11.461 1.00 0.00 N ATOM 1244 NH2 ARG A 76 6.572 -3.425 11.752 1.00 0.00 N ATOM 0 H ARG A 76 7.549 -2.292 5.165 1.00 0.00 H new ATOM 0 HA ARG A 76 5.563 -0.971 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.499 -0.561 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.561 0.670 7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.820 -2.196 8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.843 -0.880 8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.213 0.033 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.943 -0.287 8.755 1.00 0.00 H new ATOM 0 HE ARG A 76 5.483 -2.325 9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.578 -1.030 10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.718 -2.222 12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.687 -3.849 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.093 -3.806 12.542 1.00 0.00 H new ATOM 1258 N ILE A 77 4.713 0.086 4.646 1.00 0.00 N ATOM 1259 CA ILE A 77 4.183 1.015 3.653 1.00 0.00 C ATOM 1260 C ILE A 77 3.098 1.902 4.263 1.00 0.00 C ATOM 1261 O ILE A 77 2.116 1.405 4.819 1.00 0.00 O ATOM 1262 CB ILE A 77 3.594 0.268 2.432 1.00 0.00 C ATOM 1263 CG1 ILE A 77 4.587 -0.772 1.903 1.00 0.00 C ATOM 1264 CG2 ILE A 77 3.222 1.254 1.331 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.989 -1.717 0.883 1.00 0.00 C ATOM 0 H ILE A 77 4.053 -0.634 4.940 1.00 0.00 H new ATOM 0 HA ILE A 77 5.017 1.633 3.320 1.00 0.00 H new ATOM 0 HB ILE A 77 2.691 -0.251 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.436 -0.256 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.973 -1.352 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.810 0.711 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.479 1.957 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.111 1.800 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.749 -2.425 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.158 -2.260 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.628 -1.147 0.027 1.00 0.00 H new ATOM 1277 N LEU A 78 3.281 3.217 4.153 1.00 0.00 N ATOM 1278 CA LEU A 78 2.319 4.177 4.689 1.00 0.00 C ATOM 1279 C LEU A 78 1.447 4.753 3.575 1.00 0.00 C ATOM 1280 O LEU A 78 1.954 5.384 2.645 1.00 0.00 O ATOM 1281 CB LEU A 78 3.048 5.310 5.420 1.00 0.00 C ATOM 1282 CG LEU A 78 2.136 6.339 6.095 1.00 0.00 C ATOM 1283 CD1 LEU A 78 1.881 5.959 7.547 1.00 0.00 C ATOM 1284 CD2 LEU A 78 2.739 7.734 5.999 1.00 0.00 C ATOM 0 H LEU A 78 4.088 3.642 3.697 1.00 0.00 H new ATOM 0 HA LEU A 78 1.676 3.653 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.700 4.873 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.690 5.828 4.707 1.00 0.00 H new ATOM 0 HG LEU A 78 1.179 6.345 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.231 6.702 8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.401 4.981 7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.828 5.921 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.077 8.451 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.710 7.745 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.862 8.006 4.951 1.00 0.00 H new ATOM 1296 N LEU A 79 0.133 4.542 3.677 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.803 5.053 2.678 1.00 0.00 C ATOM 1298 C LEU A 79 -1.597 6.234 3.230 1.00 0.00 C ATOM 1299 O LEU A 79 -2.237 6.128 4.279 1.00 0.00 O ATOM 1300 CB LEU A 79 -1.756 3.950 2.190 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.654 3.322 3.264 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.080 3.846 3.147 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -2.634 1.803 3.151 1.00 0.00 C ATOM 0 H LEU A 79 -0.304 4.023 4.439 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.218 5.397 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.392 4.365 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.162 3.159 1.732 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.266 3.603 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.700 3.388 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.082 4.928 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.480 3.597 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.276 1.372 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.997 1.507 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.614 1.442 3.285 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.551 7.359 2.516 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.267 8.561 2.933 1.00 0.00 C ATOM 1317 C LEU A 80 -3.335 8.950 1.916 1.00 0.00 C ATOM 1318 O LEU A 80 -3.309 8.500 0.768 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.298 9.735 3.147 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.181 9.887 2.108 1.00 0.00 C ATOM 1321 CD1 LEU A 80 -0.753 10.230 0.739 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.813 10.951 2.551 1.00 0.00 C ATOM 0 H LEU A 80 -1.026 7.461 1.648 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.757 8.333 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.877 10.658 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.840 9.626 4.130 1.00 0.00 H new ATOM 0 HG LEU A 80 0.340 8.933 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.060 10.332 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.425 9.435 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.304 11.169 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.600 11.047 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.299 11.906 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.253 10.663 3.506 1.00 0.00 H new ATOM 1334 N SER A 81 -4.269 9.794 2.347 1.00 0.00 N ATOM 1335 CA SER A 81 -5.347 10.254 1.483 1.00 0.00 C ATOM 1336 C SER A 81 -4.933 11.502 0.710 1.00 0.00 C ATOM 1337 O SER A 81 -4.322 12.415 1.269 1.00 0.00 O ATOM 1338 CB SER A 81 -6.601 10.546 2.311 1.00 0.00 C ATOM 1339 OG SER A 81 -7.646 11.063 1.505 1.00 0.00 O ATOM 0 H SER A 81 -4.299 10.173 3.293 1.00 0.00 H new ATOM 0 HA SER A 81 -5.567 9.463 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.936 9.632 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.360 11.260 3.099 1.00 0.00 H new ATOM 0 HG SER A 81 -8.433 11.238 2.062 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.281 11.538 -0.573 1.00 0.00 N ATOM 1346 CA GLN A 82 -4.959 12.681 -1.426 1.00 0.00 C ATOM 1347 C GLN A 82 -6.041 13.764 -1.354 1.00 0.00 C ATOM 1348 O GLN A 82 -5.990 14.757 -2.084 1.00 0.00 O ATOM 1349 CB GLN A 82 -4.736 12.225 -2.872 1.00 0.00 C ATOM 1350 CG GLN A 82 -3.935 13.211 -3.710 1.00 0.00 C ATOM 1351 CD GLN A 82 -2.494 13.339 -3.249 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -1.610 12.641 -3.744 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.251 14.234 -2.298 1.00 0.00 N ATOM 0 H GLN A 82 -5.786 10.789 -1.046 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.034 13.122 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.220 11.265 -2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.704 12.063 -3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.951 12.893 -4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.414 14.189 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.015 14.792 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.301 14.363 -1.950 1.00 0.00 H new ATOM 1362 N ASP A 83 -7.012 13.563 -0.468 1.00 0.00 N ATOM 1363 CA ASP A 83 -8.107 14.511 -0.282 1.00 0.00 C ATOM 1364 C ASP A 83 -7.707 15.624 0.690 1.00 0.00 C ATOM 1365 O ASP A 83 -6.591 15.633 1.213 1.00 0.00 O ATOM 1366 CB ASP A 83 -9.352 13.780 0.236 1.00 0.00 C ATOM 1367 CG ASP A 83 -10.640 14.351 -0.324 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -11.054 13.913 -1.417 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -11.228 15.241 0.327 1.00 0.00 O ATOM 0 H ASP A 83 -7.063 12.744 0.138 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.335 14.966 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.283 12.724 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.376 13.838 1.324 1.00 0.00 H new ATOM 1374 N ARG A 84 -8.630 16.556 0.930 1.00 0.00 N ATOM 1375 CA ARG A 84 -8.384 17.676 1.841 1.00 0.00 C ATOM 1376 C ARG A 84 -9.324 17.624 3.054 1.00 0.00 C ATOM 1377 O ARG A 84 -9.745 18.664 3.566 1.00 0.00 O ATOM 1378 CB ARG A 84 -8.553 19.011 1.104 1.00 0.00 C ATOM 1379 CG ARG A 84 -9.828 19.100 0.278 1.00 0.00 C ATOM 1380 CD ARG A 84 -10.256 20.543 0.062 1.00 0.00 C ATOM 1381 NE ARG A 84 -11.712 20.692 0.091 1.00 0.00 N ATOM 1382 CZ ARG A 84 -12.344 21.855 0.264 1.00 0.00 C ATOM 1383 NH1 ARG A 84 -11.659 22.987 0.406 1.00 0.00 N ATOM 1384 NH2 ARG A 84 -13.672 21.886 0.291 1.00 0.00 N ATOM 0 H ARG A 84 -9.557 16.558 0.505 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.358 17.594 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.546 19.821 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.695 19.165 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.671 18.618 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.627 18.554 0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.811 21.173 0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.874 20.895 -0.896 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.280 19.853 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.639 22.972 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.154 23.869 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.205 21.023 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.159 22.773 0.423 1.00 0.00 H new ATOM 1398 N ASN A 85 -9.649 16.412 3.505 1.00 0.00 N ATOM 1399 CA ASN A 85 -10.537 16.232 4.652 1.00 0.00 C ATOM 1400 C ASN A 85 -9.737 15.996 5.935 1.00 0.00 C ATOM 1401 O ASN A 85 -9.465 14.853 6.312 1.00 0.00 O ATOM 1402 CB ASN A 85 -11.494 15.060 4.401 1.00 0.00 C ATOM 1403 CG ASN A 85 -12.874 15.302 4.981 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -13.700 15.986 4.378 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -13.134 14.738 6.155 1.00 0.00 N ATOM 0 H ASN A 85 -9.311 15.542 3.094 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.118 17.145 4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -11.579 14.888 3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.074 14.153 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.048 14.865 6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.420 14.178 6.621 1.00 0.00 H new ATOM 1412 N LEU A 86 -9.356 17.088 6.603 1.00 0.00 N ATOM 1413 CA LEU A 86 -8.585 17.003 7.843 1.00 0.00 C ATOM 1414 C LEU A 86 -8.824 18.230 8.723 1.00 0.00 C ATOM 1415 O LEU A 86 -8.114 19.235 8.613 1.00 0.00 O ATOM 1416 CB LEU A 86 -7.089 16.861 7.526 1.00 0.00 C ATOM 1417 CG LEU A 86 -6.233 16.270 8.654 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -5.165 15.349 8.080 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -5.595 17.378 9.482 1.00 0.00 C ATOM 0 H LEU A 86 -9.569 18.040 6.305 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.918 16.122 8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.980 16.233 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.694 17.844 7.269 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.880 15.686 9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.565 14.937 8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.642 14.536 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.522 15.914 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.992 16.938 10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.960 17.991 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.375 18.000 9.921 1.00 0.00 H new ATOM 1431 N GLU A 87 -9.827 18.141 9.595 1.00 0.00 N ATOM 1432 CA GLU A 87 -10.167 19.240 10.498 1.00 0.00 C ATOM 1433 C GLU A 87 -10.600 18.708 11.864 1.00 0.00 C ATOM 1434 O GLU A 87 -11.779 18.418 12.084 1.00 0.00 O ATOM 1435 CB GLU A 87 -11.276 20.104 9.895 1.00 0.00 C ATOM 1436 CG GLU A 87 -10.907 20.724 8.556 1.00 0.00 C ATOM 1437 CD GLU A 87 -11.900 21.780 8.109 1.00 0.00 C ATOM 1438 OE1 GLU A 87 -12.971 21.405 7.586 1.00 0.00 O ATOM 1439 OE2 GLU A 87 -11.606 22.981 8.282 1.00 0.00 O ATOM 0 H GLU A 87 -10.420 17.317 9.696 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.276 19.854 10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.171 19.495 9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.527 20.899 10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.915 21.170 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.850 19.941 7.800 1.00 0.00 H new ATOM 1446 N HIS A 88 -9.636 18.581 12.776 1.00 0.00 N ATOM 1447 CA HIS A 88 -9.910 18.083 14.126 1.00 0.00 C ATOM 1448 C HIS A 88 -9.382 19.047 15.190 1.00 0.00 C ATOM 1449 O HIS A 88 -10.104 19.411 16.120 1.00 0.00 O ATOM 1450 CB HIS A 88 -9.290 16.693 14.329 1.00 0.00 C ATOM 1451 CG HIS A 88 -9.561 15.729 13.213 1.00 0.00 C ATOM 1452 ND1 HIS A 88 -10.752 15.689 12.519 1.00 0.00 N ATOM 1453 CD2 HIS A 88 -8.782 14.761 12.673 1.00 0.00 C ATOM 1454 CE1 HIS A 88 -10.695 14.739 11.603 1.00 0.00 C ATOM 1455 NE2 HIS A 88 -9.511 14.162 11.674 1.00 0.00 N ATOM 0 H HIS A 88 -8.658 18.816 12.605 1.00 0.00 H new ATOM 0 HA HIS A 88 -10.992 18.008 14.235 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.212 16.802 14.446 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.670 16.271 15.259 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.553 16.298 12.687 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -7.776 14.507 12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.484 14.479 10.913 1.00 0.00 H new ATOM 1464 N HIS A 89 -8.120 19.456 15.045 1.00 0.00 N ATOM 1465 CA HIS A 89 -7.487 20.380 15.992 1.00 0.00 C ATOM 1466 C HIS A 89 -6.113 20.832 15.495 1.00 0.00 C ATOM 1467 O HIS A 89 -5.735 21.990 15.677 1.00 0.00 O ATOM 1468 CB HIS A 89 -7.357 19.741 17.382 1.00 0.00 C ATOM 1469 CG HIS A 89 -6.836 18.335 17.370 1.00 0.00 C ATOM 1470 ND1 HIS A 89 -5.526 18.015 17.661 1.00 0.00 N ATOM 1471 CD2 HIS A 89 -7.460 17.159 17.117 1.00 0.00 C ATOM 1472 CE1 HIS A 89 -5.366 16.705 17.584 1.00 0.00 C ATOM 1473 NE2 HIS A 89 -6.525 16.164 17.256 1.00 0.00 N ATOM 0 H HIS A 89 -7.514 19.162 14.279 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.131 21.256 16.068 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -6.694 20.356 17.991 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.334 19.750 17.866 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -8.500 17.029 16.855 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.445 16.169 17.759 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -6.698 15.167 17.127 1.00 0.00 H new ATOM 1482 N HIS A 90 -5.367 19.911 14.873 1.00 0.00 N ATOM 1483 CA HIS A 90 -4.034 20.215 14.350 1.00 0.00 C ATOM 1484 C HIS A 90 -4.066 21.456 13.453 1.00 0.00 C ATOM 1485 O HIS A 90 -4.463 21.383 12.288 1.00 0.00 O ATOM 1486 CB HIS A 90 -3.487 19.017 13.563 1.00 0.00 C ATOM 1487 CG HIS A 90 -2.879 17.949 14.425 1.00 0.00 C ATOM 1488 ND1 HIS A 90 -2.207 16.860 13.909 1.00 0.00 N ATOM 1489 CD2 HIS A 90 -2.844 17.805 15.772 1.00 0.00 C ATOM 1490 CE1 HIS A 90 -1.785 16.094 14.900 1.00 0.00 C ATOM 1491 NE2 HIS A 90 -2.158 16.645 16.040 1.00 0.00 N ATOM 0 H HIS A 90 -5.667 18.948 14.721 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.378 20.418 15.196 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.295 18.580 12.977 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.736 19.371 12.857 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.275 18.477 16.499 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.229 15.174 14.795 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.968 16.270 16.969 1.00 0.00 H new ATOM 1500 N HIS A 91 -3.649 22.595 14.008 1.00 0.00 N ATOM 1501 CA HIS A 91 -3.626 23.855 13.269 1.00 0.00 C ATOM 1502 C HIS A 91 -2.594 24.815 13.865 1.00 0.00 C ATOM 1503 O HIS A 91 -1.663 25.237 13.178 1.00 0.00 O ATOM 1504 CB HIS A 91 -5.014 24.506 13.274 1.00 0.00 C ATOM 1505 CG HIS A 91 -5.366 25.192 11.988 1.00 0.00 C ATOM 1506 ND1 HIS A 91 -6.098 24.588 10.986 1.00 0.00 N ATOM 1507 CD2 HIS A 91 -5.093 26.443 11.549 1.00 0.00 C ATOM 1508 CE1 HIS A 91 -6.260 25.440 9.988 1.00 0.00 C ATOM 1509 NE2 HIS A 91 -5.659 26.570 10.304 1.00 0.00 N ATOM 0 H HIS A 91 -3.322 22.669 14.971 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.343 23.638 12.239 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -5.762 23.742 13.484 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.062 25.231 14.087 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -4.534 27.200 12.079 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.794 25.244 9.070 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -5.621 27.404 9.718 1.00 0.00 H new ATOM 1518 N HIS A 92 -2.764 25.147 15.150 1.00 0.00 N ATOM 1519 CA HIS A 92 -1.846 26.050 15.850 1.00 0.00 C ATOM 1520 C HIS A 92 -1.851 27.449 15.227 1.00 0.00 C ATOM 1521 O HIS A 92 -2.632 27.730 14.315 1.00 0.00 O ATOM 1522 CB HIS A 92 -0.423 25.470 15.845 1.00 0.00 C ATOM 1523 CG HIS A 92 0.037 24.987 17.185 1.00 0.00 C ATOM 1524 ND1 HIS A 92 0.540 23.720 17.396 1.00 0.00 N ATOM 1525 CD2 HIS A 92 0.075 25.608 18.388 1.00 0.00 C ATOM 1526 CE1 HIS A 92 0.864 23.583 18.669 1.00 0.00 C ATOM 1527 NE2 HIS A 92 0.593 24.714 19.292 1.00 0.00 N ATOM 0 H HIS A 92 -3.531 24.802 15.727 1.00 0.00 H new ATOM 0 HA HIS A 92 -2.190 26.143 16.880 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.380 24.643 15.137 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.269 26.232 15.487 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -0.243 26.619 18.597 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.280 22.696 19.123 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.744 24.895 20.284 1.00 0.00 H new ATOM 1536 N HIS A 93 -0.974 28.320 15.731 1.00 0.00 N ATOM 1537 CA HIS A 93 -0.868 29.691 15.232 1.00 0.00 C ATOM 1538 C HIS A 93 0.489 29.940 14.570 1.00 0.00 C ATOM 1539 O HIS A 93 1.450 29.202 14.881 1.00 0.00 O ATOM 1540 CB HIS A 93 -1.084 30.687 16.378 1.00 0.00 C ATOM 1541 CG HIS A 93 -1.787 31.948 15.964 1.00 0.00 C ATOM 1542 ND1 HIS A 93 -2.461 32.760 16.852 1.00 0.00 N ATOM 1543 CD2 HIS A 93 -1.913 32.537 14.750 1.00 0.00 C ATOM 1544 CE1 HIS A 93 -2.971 33.793 16.203 1.00 0.00 C ATOM 1545 NE2 HIS A 93 -2.652 33.681 14.925 1.00 0.00 N ATOM 1546 OXT HIS A 93 0.578 30.873 13.745 1.00 0.00 O ATOM 0 H HIS A 93 -0.326 28.098 16.487 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.642 29.835 14.478 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.662 30.202 17.164 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -0.117 30.946 16.808 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.507 32.174 13.817 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.550 34.592 16.642 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.912 34.337 14.189 1.00 0.00 H new TER 1555 HIS A 93