USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 740 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 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.13) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.51 K(o=-2,f=-0.94) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.49 X(o=-2,f=-1.6!) USER MOD Set 3.1: A 6 MET CE :methyl 164:sc= -0.0875 (180deg=-0.51) USER MOD Set 3.2: A 8 GLN : amide:sc= -2.17 K(o=-2.3,f=-3.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 117:sc= 1.22 USER MOD Single : A 17 ASN : amide:sc= -0.722 K(o=-0.72,f=-2.7!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0833 (180deg=-0.348) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 24 ASN : amide:sc= -2.02! X(o=-2!,f=-2.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 33 SER OG : rot 105:sc= 0.0445 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= -0.0708 (180deg=-0.251) USER MOD Single : A 42 ASN : amide:sc= -1.77 K(o=-1.8,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Single : A 52 SER OG : rot 43:sc= 0.03 USER MOD Single : A 55 SER OG : rot -160:sc= 0.119 USER MOD Single : A 57 SER OG : rot -62:sc= 0.0378 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.114 (180deg=-0.558) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.702 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 18:sc= 0.412 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -156:sc= 1.81 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 10:sc= 0.503 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 84 HIS : no HD1:sc= -4.99 K(o=-5,f=-7.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -147:sc= -0.0694 (180deg=-2.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.708 -7.591 7.141 1.00 0.00 N ATOM 2 CA MET A 6 5.278 -7.628 6.899 1.00 0.00 C ATOM 3 C MET A 6 4.753 -6.205 6.775 1.00 0.00 C ATOM 4 O MET A 6 5.358 -5.267 7.294 1.00 0.00 O ATOM 5 CB MET A 6 4.563 -8.373 8.037 1.00 0.00 C ATOM 6 CG MET A 6 3.079 -8.597 7.788 1.00 0.00 C ATOM 7 SD MET A 6 2.287 -9.564 9.090 1.00 0.00 S ATOM 8 CE MET A 6 2.533 -8.494 10.505 1.00 0.00 C ATOM 0 HA MET A 6 5.081 -8.163 5.970 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.046 -9.338 8.187 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.686 -7.809 8.961 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.580 -7.632 7.705 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.949 -9.107 6.833 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.869 -8.801 11.313 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.568 -8.565 10.839 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.312 -7.464 10.225 1.00 0.00 H new ATOM 17 N ILE A 7 3.643 -6.048 6.075 1.00 0.00 N ATOM 18 CA ILE A 7 3.075 -4.735 5.830 1.00 0.00 C ATOM 19 C ILE A 7 1.887 -4.505 6.754 1.00 0.00 C ATOM 20 O ILE A 7 1.129 -5.432 7.029 1.00 0.00 O ATOM 21 CB ILE A 7 2.580 -4.614 4.367 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.543 -5.295 3.396 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.388 -3.159 3.971 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.845 -5.847 2.170 1.00 0.00 C ATOM 0 H ILE A 7 3.115 -6.818 5.665 1.00 0.00 H new ATOM 0 HA ILE A 7 3.852 -3.994 6.015 1.00 0.00 H new ATOM 0 HB ILE A 7 1.617 -5.121 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.304 -4.580 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.059 -6.105 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.040 -3.106 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.650 -2.698 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.336 -2.629 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.578 -6.319 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.102 -6.584 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.352 -5.035 1.636 1.00 0.00 H new ATOM 36 N GLN A 8 1.735 -3.285 7.252 1.00 0.00 N ATOM 37 CA GLN A 8 0.575 -2.945 8.068 1.00 0.00 C ATOM 38 C GLN A 8 -0.178 -1.767 7.445 1.00 0.00 C ATOM 39 O GLN A 8 0.334 -0.646 7.398 1.00 0.00 O ATOM 40 CB GLN A 8 0.984 -2.611 9.515 1.00 0.00 C ATOM 41 CG GLN A 8 1.687 -3.754 10.266 1.00 0.00 C ATOM 42 CD GLN A 8 3.072 -4.092 9.738 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.497 -5.246 9.780 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.804 -3.085 9.285 1.00 0.00 N ATOM 0 H GLN A 8 2.394 -2.520 7.108 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.082 -3.814 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.645 -1.744 9.500 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.093 -2.323 10.072 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.768 -3.485 11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.063 -4.646 10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.417 -2.141 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.755 -3.253 8.956 1.00 0.00 H new ATOM 53 N VAL A 9 -1.380 -2.030 6.942 1.00 0.00 N ATOM 54 CA VAL A 9 -2.202 -0.993 6.318 1.00 0.00 C ATOM 55 C VAL A 9 -3.157 -0.334 7.311 1.00 0.00 C ATOM 56 O VAL A 9 -3.580 -0.945 8.293 1.00 0.00 O ATOM 57 CB VAL A 9 -3.024 -1.535 5.124 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.143 -1.694 3.897 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.685 -2.858 5.483 1.00 0.00 C ATOM 0 H VAL A 9 -1.810 -2.955 6.953 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.495 -0.247 5.955 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.807 -0.813 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.739 -2.076 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.721 -0.727 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.336 -2.393 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.258 -3.222 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.919 -3.588 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.352 -2.713 6.333 1.00 0.00 H new ATOM 69 N TYR A 10 -3.492 0.917 7.014 1.00 0.00 N ATOM 70 CA TYR A 10 -4.364 1.747 7.851 1.00 0.00 C ATOM 71 C TYR A 10 -5.092 2.730 6.948 1.00 0.00 C ATOM 72 O TYR A 10 -4.827 2.776 5.743 1.00 0.00 O ATOM 73 CB TYR A 10 -3.580 2.579 8.880 1.00 0.00 C ATOM 74 CG TYR A 10 -2.818 1.806 9.950 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.469 2.069 10.173 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.434 0.840 10.747 1.00 0.00 C ATOM 77 CE1 TYR A 10 -0.757 1.400 11.147 1.00 0.00 C ATOM 78 CE2 TYR A 10 -2.721 0.160 11.726 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.384 0.448 11.918 1.00 0.00 C ATOM 80 OH TYR A 10 -0.667 -0.213 12.889 1.00 0.00 O ATOM 0 H TYR A 10 -3.163 1.394 6.174 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.038 1.077 8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.868 3.204 8.341 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.280 3.250 9.379 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.969 2.813 9.570 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.481 0.618 10.600 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.288 1.622 11.304 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.209 -0.589 12.333 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.250 -0.853 13.348 1.00 0.00 H new ATOM 90 N SER A 11 -5.980 3.535 7.513 1.00 0.00 N ATOM 91 CA SER A 11 -6.598 4.607 6.753 1.00 0.00 C ATOM 92 C SER A 11 -6.544 5.918 7.533 1.00 0.00 C ATOM 93 O SER A 11 -6.393 5.926 8.754 1.00 0.00 O ATOM 94 CB SER A 11 -8.059 4.257 6.436 1.00 0.00 C ATOM 95 OG SER A 11 -8.854 4.304 7.613 1.00 0.00 O ATOM 0 H SER A 11 -6.285 3.467 8.484 1.00 0.00 H new ATOM 0 HA SER A 11 -6.046 4.728 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.453 4.955 5.697 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.112 3.262 5.995 1.00 0.00 H new ATOM 0 HG SER A 11 -9.535 5.003 7.520 1.00 0.00 H new ATOM 101 N ARG A 12 -6.657 7.024 6.804 1.00 0.00 N ATOM 102 CA ARG A 12 -6.611 8.355 7.406 1.00 0.00 C ATOM 103 C ARG A 12 -7.991 8.776 7.912 1.00 0.00 C ATOM 104 O ARG A 12 -8.106 9.645 8.773 1.00 0.00 O ATOM 105 CB ARG A 12 -6.101 9.380 6.383 1.00 0.00 C ATOM 106 CG ARG A 12 -5.080 10.360 6.941 1.00 0.00 C ATOM 107 CD ARG A 12 -5.676 11.262 8.007 1.00 0.00 C ATOM 108 NE ARG A 12 -4.658 12.094 8.642 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.893 12.920 9.659 1.00 0.00 C ATOM 110 NH1 ARG A 12 -6.110 13.018 10.178 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.904 13.643 10.163 1.00 0.00 N ATOM 0 H ARG A 12 -6.782 7.026 5.792 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.928 8.318 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.656 8.848 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.950 9.940 5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.241 9.807 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.684 10.971 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.439 11.899 7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.172 10.653 8.763 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.705 12.039 8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.873 12.458 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.282 13.653 10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.965 13.566 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.081 14.277 10.942 1.00 0.00 H new ATOM 125 N HIS A 13 -9.030 8.147 7.383 1.00 0.00 N ATOM 126 CA HIS A 13 -10.404 8.546 7.678 1.00 0.00 C ATOM 127 C HIS A 13 -11.270 7.314 7.949 1.00 0.00 C ATOM 128 O HIS A 13 -10.868 6.193 7.625 1.00 0.00 O ATOM 129 CB HIS A 13 -10.993 9.348 6.506 1.00 0.00 C ATOM 130 CG HIS A 13 -10.307 10.658 6.240 1.00 0.00 C ATOM 131 ND1 HIS A 13 -10.145 11.601 7.226 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.771 11.130 5.086 1.00 0.00 C ATOM 133 CE1 HIS A 13 -9.515 12.615 6.655 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.269 12.374 5.361 1.00 0.00 N ATOM 0 H HIS A 13 -8.950 7.355 6.745 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.394 9.175 8.568 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.945 8.738 5.604 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.047 9.539 6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.745 10.622 4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.234 13.523 7.168 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.798 12.998 4.706 1.00 0.00 H new ATOM 142 N PRO A 14 -12.467 7.508 8.547 1.00 0.00 N ATOM 143 CA PRO A 14 -13.406 6.412 8.842 1.00 0.00 C ATOM 144 C PRO A 14 -14.020 5.829 7.567 1.00 0.00 C ATOM 145 O PRO A 14 -14.353 6.569 6.640 1.00 0.00 O ATOM 146 CB PRO A 14 -14.503 7.073 9.692 1.00 0.00 C ATOM 147 CG PRO A 14 -13.962 8.419 10.071 1.00 0.00 C ATOM 148 CD PRO A 14 -13.010 8.807 8.974 1.00 0.00 C ATOM 0 HA PRO A 14 -12.907 5.583 9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.432 7.168 9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.726 6.477 10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.765 9.149 10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.452 8.378 11.034 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.519 9.322 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.227 9.475 9.334 1.00 0.00 H new ATOM 156 N ALA A 15 -14.152 4.506 7.521 1.00 0.00 N ATOM 157 CA ALA A 15 -14.729 3.816 6.364 1.00 0.00 C ATOM 158 C ALA A 15 -16.181 4.220 6.115 1.00 0.00 C ATOM 159 O ALA A 15 -17.085 3.765 6.817 1.00 0.00 O ATOM 160 CB ALA A 15 -14.649 2.304 6.562 1.00 0.00 C ATOM 0 H ALA A 15 -13.866 3.884 8.277 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.147 4.110 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.080 1.800 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.606 2.006 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.203 2.025 7.458 1.00 0.00 H new ATOM 166 N GLU A 16 -16.410 5.077 5.126 1.00 0.00 N ATOM 167 CA GLU A 16 -17.776 5.397 4.714 1.00 0.00 C ATOM 168 C GLU A 16 -18.012 4.964 3.268 1.00 0.00 C ATOM 169 O GLU A 16 -17.260 5.352 2.372 1.00 0.00 O ATOM 170 CB GLU A 16 -18.060 6.895 4.854 1.00 0.00 C ATOM 171 CG GLU A 16 -18.541 7.318 6.230 1.00 0.00 C ATOM 172 CD GLU A 16 -19.856 6.678 6.616 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.839 6.826 5.862 1.00 0.00 O ATOM 174 OE2 GLU A 16 -19.921 6.044 7.686 1.00 0.00 O ATOM 0 H GLU A 16 -15.680 5.558 4.600 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.456 4.853 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.152 7.448 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.811 7.180 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.784 7.057 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.649 8.402 6.254 1.00 0.00 H new ATOM 181 N ASN A 17 -19.052 4.163 3.039 1.00 0.00 N ATOM 182 CA ASN A 17 -19.390 3.710 1.692 1.00 0.00 C ATOM 183 C ASN A 17 -19.811 4.902 0.829 1.00 0.00 C ATOM 184 O ASN A 17 -20.837 5.536 1.080 1.00 0.00 O ATOM 185 CB ASN A 17 -20.500 2.624 1.741 1.00 0.00 C ATOM 186 CG ASN A 17 -21.188 2.410 0.401 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.742 1.611 -0.421 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.288 3.111 0.176 1.00 0.00 N ATOM 0 H ASN A 17 -19.674 3.815 3.769 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.508 3.257 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.063 1.682 2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.245 2.909 2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.795 2.997 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.629 3.765 0.881 1.00 0.00 H new ATOM 195 N GLY A 18 -18.982 5.226 -0.161 1.00 0.00 N ATOM 196 CA GLY A 18 -19.282 6.329 -1.064 1.00 0.00 C ATOM 197 C GLY A 18 -18.252 7.442 -1.029 1.00 0.00 C ATOM 198 O GLY A 18 -18.210 8.267 -1.941 1.00 0.00 O ATOM 0 H GLY A 18 -18.105 4.743 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.354 5.945 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.258 6.741 -0.809 1.00 0.00 H new ATOM 202 N LYS A 19 -17.420 7.487 0.007 1.00 0.00 N ATOM 203 CA LYS A 19 -16.442 8.571 0.117 1.00 0.00 C ATOM 204 C LYS A 19 -15.116 8.172 -0.492 1.00 0.00 C ATOM 205 O LYS A 19 -14.747 6.999 -0.492 1.00 0.00 O ATOM 206 CB LYS A 19 -16.172 8.961 1.571 1.00 0.00 C ATOM 207 CG LYS A 19 -17.379 8.987 2.488 1.00 0.00 C ATOM 208 CD LYS A 19 -18.475 9.932 2.033 1.00 0.00 C ATOM 209 CE LYS A 19 -18.009 11.381 2.006 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.448 11.813 3.315 1.00 0.00 N ATOM 0 H LYS A 19 -17.399 6.806 0.766 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.877 9.416 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.442 8.264 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.711 9.949 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.789 7.980 2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.057 9.275 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.813 9.642 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.332 9.840 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.254 11.504 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.847 12.026 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.348 12.848 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.087 11.519 4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.516 11.374 3.455 1.00 0.00 H new ATOM 224 N SER A 20 -14.409 9.156 -1.016 1.00 0.00 N ATOM 225 CA SER A 20 -13.038 8.960 -1.429 1.00 0.00 C ATOM 226 C SER A 20 -12.080 9.489 -0.366 1.00 0.00 C ATOM 227 O SER A 20 -12.275 10.572 0.191 1.00 0.00 O ATOM 228 CB SER A 20 -12.783 9.606 -2.789 1.00 0.00 C ATOM 229 OG SER A 20 -13.625 10.734 -2.983 1.00 0.00 O ATOM 0 H SER A 20 -14.765 10.100 -1.165 1.00 0.00 H new ATOM 0 HA SER A 20 -12.856 7.891 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.739 9.911 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.958 8.877 -3.580 1.00 0.00 H new ATOM 0 HG SER A 20 -13.442 11.132 -3.860 1.00 0.00 H new ATOM 235 N ASN A 21 -11.043 8.712 -0.100 1.00 0.00 N ATOM 236 CA ASN A 21 -10.088 8.986 0.972 1.00 0.00 C ATOM 237 C ASN A 21 -8.751 8.398 0.525 1.00 0.00 C ATOM 238 O ASN A 21 -8.557 8.182 -0.673 1.00 0.00 O ATOM 239 CB ASN A 21 -10.531 8.340 2.296 1.00 0.00 C ATOM 240 CG ASN A 21 -12.014 8.505 2.618 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.854 7.763 2.115 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.346 9.439 3.492 1.00 0.00 N ATOM 0 H ASN A 21 -10.834 7.863 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.017 10.059 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.296 7.276 2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.946 8.770 3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.321 9.558 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.627 10.041 3.893 1.00 0.00 H new ATOM 249 N PHE A 22 -7.845 8.095 1.453 1.00 0.00 N ATOM 250 CA PHE A 22 -6.518 7.603 1.075 1.00 0.00 C ATOM 251 C PHE A 22 -6.162 6.308 1.798 1.00 0.00 C ATOM 252 O PHE A 22 -6.387 6.184 3.006 1.00 0.00 O ATOM 253 CB PHE A 22 -5.454 8.665 1.364 1.00 0.00 C ATOM 254 CG PHE A 22 -5.453 9.774 0.360 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.517 9.475 -0.985 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.385 11.101 0.750 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.516 10.476 -1.935 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.384 12.111 -0.193 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.449 11.798 -1.538 1.00 0.00 C ATOM 0 H PHE A 22 -8.000 8.179 2.458 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.544 7.393 0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.623 9.081 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.471 8.194 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.569 8.443 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.332 11.349 1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.567 10.227 -2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.333 13.143 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.447 12.585 -2.277 1.00 0.00 H new ATOM 269 N LEU A 23 -5.602 5.349 1.055 1.00 0.00 N ATOM 270 CA LEU A 23 -5.163 4.079 1.637 1.00 0.00 C ATOM 271 C LEU A 23 -3.674 4.152 1.971 1.00 0.00 C ATOM 272 O LEU A 23 -2.847 4.455 1.111 1.00 0.00 O ATOM 273 CB LEU A 23 -5.466 2.899 0.688 1.00 0.00 C ATOM 274 CG LEU A 23 -4.864 1.525 1.071 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.282 1.094 2.473 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.285 0.462 0.065 1.00 0.00 C ATOM 0 H LEU A 23 -5.442 5.428 0.051 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.719 3.904 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.548 2.788 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.107 3.162 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.779 1.633 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.839 0.125 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.938 1.832 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.368 1.017 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.854 -0.498 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.372 0.382 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.931 0.740 -0.928 1.00 0.00 H new ATOM 288 N ASN A 24 -3.350 3.900 3.231 1.00 0.00 N ATOM 289 CA ASN A 24 -1.965 4.014 3.722 1.00 0.00 C ATOM 290 C ASN A 24 -1.358 2.630 3.936 1.00 0.00 C ATOM 291 O ASN A 24 -1.934 1.795 4.638 1.00 0.00 O ATOM 292 CB ASN A 24 -1.902 4.864 5.024 1.00 0.00 C ATOM 293 CG ASN A 24 -0.838 4.407 6.009 1.00 0.00 C ATOM 294 OD1 ASN A 24 0.284 4.900 6.004 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.192 3.475 6.877 1.00 0.00 N ATOM 0 H ASN A 24 -4.023 3.614 3.942 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.375 4.529 2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.714 5.904 4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.875 4.831 5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.522 3.144 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.135 3.087 6.852 1.00 0.00 H new ATOM 302 N CYS A 25 -0.212 2.376 3.310 1.00 0.00 N ATOM 303 CA CYS A 25 0.483 1.104 3.433 1.00 0.00 C ATOM 304 C CYS A 25 1.926 1.343 3.892 1.00 0.00 C ATOM 305 O CYS A 25 2.708 1.958 3.169 1.00 0.00 O ATOM 306 CB CYS A 25 0.486 0.408 2.063 1.00 0.00 C ATOM 307 SG CYS A 25 1.723 -0.914 1.895 1.00 0.00 S ATOM 0 H CYS A 25 0.259 3.048 2.704 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.022 0.477 4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.503 -0.011 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.663 1.155 1.290 1.00 0.00 H new ATOM 312 N TYR A 26 2.275 0.878 5.089 1.00 0.00 N ATOM 313 CA TYR A 26 3.639 1.062 5.601 1.00 0.00 C ATOM 314 C TYR A 26 4.530 -0.099 5.209 1.00 0.00 C ATOM 315 O TYR A 26 4.179 -1.258 5.428 1.00 0.00 O ATOM 316 CB TYR A 26 3.682 1.169 7.133 1.00 0.00 C ATOM 317 CG TYR A 26 3.091 2.423 7.743 1.00 0.00 C ATOM 318 CD1 TYR A 26 3.832 3.597 7.825 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.814 2.416 8.290 1.00 0.00 C ATOM 320 CE1 TYR A 26 3.312 4.730 8.427 1.00 0.00 C ATOM 321 CE2 TYR A 26 1.287 3.547 8.884 1.00 0.00 C ATOM 322 CZ TYR A 26 2.040 4.697 8.955 1.00 0.00 C ATOM 323 OH TYR A 26 1.518 5.816 9.566 1.00 0.00 O ATOM 0 H TYR A 26 1.646 0.378 5.718 1.00 0.00 H new ATOM 0 HA TYR A 26 3.993 1.993 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.158 0.308 7.549 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.722 1.093 7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.830 3.625 7.412 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.224 1.512 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.900 5.634 8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.287 3.529 9.291 1.00 0.00 H new ATOM 0 HH TYR A 26 0.611 5.623 9.882 1.00 0.00 H new ATOM 333 N VAL A 27 5.697 0.213 4.671 1.00 0.00 N ATOM 334 CA VAL A 27 6.698 -0.799 4.389 1.00 0.00 C ATOM 335 C VAL A 27 8.005 -0.363 5.065 1.00 0.00 C ATOM 336 O VAL A 27 8.680 0.554 4.597 1.00 0.00 O ATOM 337 CB VAL A 27 6.905 -0.970 2.858 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.849 -2.121 2.552 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.569 -1.180 2.155 1.00 0.00 C ATOM 0 H VAL A 27 5.974 1.162 4.421 1.00 0.00 H new ATOM 0 HA VAL A 27 6.371 -1.764 4.777 1.00 0.00 H new ATOM 0 HB VAL A 27 7.359 -0.053 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.972 -2.213 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.818 -1.929 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.435 -3.047 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.736 -1.298 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.088 -2.076 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.926 -0.317 2.329 1.00 0.00 H new ATOM 349 N SER A 28 8.348 -1.008 6.176 1.00 0.00 N ATOM 350 CA SER A 28 9.385 -0.487 7.068 1.00 0.00 C ATOM 351 C SER A 28 10.578 -1.445 7.248 1.00 0.00 C ATOM 352 O SER A 28 10.398 -2.654 7.385 1.00 0.00 O ATOM 353 CB SER A 28 8.723 -0.183 8.416 1.00 0.00 C ATOM 354 OG SER A 28 7.993 -1.307 8.886 1.00 0.00 O ATOM 0 H SER A 28 7.928 -1.886 6.481 1.00 0.00 H new ATOM 0 HA SER A 28 9.808 0.413 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.484 0.093 9.146 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.055 0.672 8.313 1.00 0.00 H new ATOM 0 HG SER A 28 7.580 -1.092 9.748 1.00 0.00 H new ATOM 360 N GLY A 29 11.798 -0.885 7.257 1.00 0.00 N ATOM 361 CA GLY A 29 13.011 -1.691 7.436 1.00 0.00 C ATOM 362 C GLY A 29 13.653 -2.069 6.118 1.00 0.00 C ATOM 363 O GLY A 29 14.666 -2.772 6.080 1.00 0.00 O ATOM 0 H GLY A 29 11.968 0.114 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.728 -1.134 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.764 -2.597 7.989 1.00 0.00 H new ATOM 367 N PHE A 30 13.062 -1.602 5.038 1.00 0.00 N ATOM 368 CA PHE A 30 13.530 -1.942 3.707 1.00 0.00 C ATOM 369 C PHE A 30 14.103 -0.727 2.985 1.00 0.00 C ATOM 370 O PHE A 30 13.735 0.409 3.278 1.00 0.00 O ATOM 371 CB PHE A 30 12.378 -2.511 2.897 1.00 0.00 C ATOM 372 CG PHE A 30 11.594 -3.593 3.618 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.049 -4.908 3.645 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.386 -3.302 4.240 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.308 -5.905 4.266 1.00 0.00 C ATOM 376 CE2 PHE A 30 9.650 -4.295 4.872 1.00 0.00 C ATOM 377 CZ PHE A 30 10.109 -5.592 4.876 1.00 0.00 C ATOM 0 H PHE A 30 12.252 -0.982 5.055 1.00 0.00 H new ATOM 0 HA PHE A 30 14.324 -2.681 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.699 -1.701 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.769 -2.919 1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.990 -5.156 3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.014 -2.288 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.669 -6.923 4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.718 -4.050 5.360 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.531 -6.367 5.357 1.00 0.00 H new ATOM 387 N HIS A 31 15.007 -0.986 2.047 1.00 0.00 N ATOM 388 CA HIS A 31 15.578 0.065 1.211 1.00 0.00 C ATOM 389 C HIS A 31 14.817 0.151 -0.111 1.00 0.00 C ATOM 390 O HIS A 31 14.621 -0.857 -0.783 1.00 0.00 O ATOM 391 CB HIS A 31 17.063 -0.199 0.949 1.00 0.00 C ATOM 392 CG HIS A 31 17.882 -0.317 2.198 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.423 -1.519 2.585 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.220 0.632 3.103 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.073 -1.278 3.709 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.979 0.010 4.063 1.00 0.00 N ATOM 0 H HIS A 31 15.362 -1.921 1.845 1.00 0.00 H new ATOM 0 HA HIS A 31 15.486 1.015 1.738 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.163 -1.118 0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.464 0.609 0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.946 1.676 3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.612 -2.025 4.272 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.392 0.445 4.888 1.00 0.00 H new ATOM 404 N PRO A 32 14.407 1.367 -0.502 1.00 0.00 N ATOM 405 CA PRO A 32 13.475 1.601 -1.628 1.00 0.00 C ATOM 406 C PRO A 32 13.957 1.095 -2.991 1.00 0.00 C ATOM 407 O PRO A 32 13.145 0.886 -3.893 1.00 0.00 O ATOM 408 CB PRO A 32 13.340 3.135 -1.666 1.00 0.00 C ATOM 409 CG PRO A 32 13.749 3.589 -0.310 1.00 0.00 C ATOM 410 CD PRO A 32 14.811 2.628 0.139 1.00 0.00 C ATOM 0 HA PRO A 32 12.548 1.052 -1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.977 3.569 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.317 3.436 -1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.131 4.609 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.902 3.585 0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.804 2.944 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.841 2.538 1.225 1.00 0.00 H new ATOM 418 N SER A 33 15.255 0.889 -3.146 1.00 0.00 N ATOM 419 CA SER A 33 15.819 0.610 -4.461 1.00 0.00 C ATOM 420 C SER A 33 15.434 -0.784 -4.998 1.00 0.00 C ATOM 421 O SER A 33 15.047 -0.902 -6.165 1.00 0.00 O ATOM 422 CB SER A 33 17.344 0.807 -4.435 1.00 0.00 C ATOM 423 OG SER A 33 17.948 0.412 -5.656 1.00 0.00 O ATOM 0 H SER A 33 15.935 0.909 -2.386 1.00 0.00 H new ATOM 0 HA SER A 33 15.384 1.325 -5.160 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.572 1.855 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.771 0.230 -3.615 1.00 0.00 H new ATOM 0 HG SER A 33 18.195 1.208 -6.172 1.00 0.00 H new ATOM 429 N ASP A 34 15.494 -1.829 -4.168 1.00 0.00 N ATOM 430 CA ASP A 34 15.289 -3.197 -4.677 1.00 0.00 C ATOM 431 C ASP A 34 13.960 -3.810 -4.241 1.00 0.00 C ATOM 432 O ASP A 34 13.870 -5.031 -4.093 1.00 0.00 O ATOM 433 CB ASP A 34 16.415 -4.150 -4.242 1.00 0.00 C ATOM 434 CG ASP A 34 17.776 -3.757 -4.780 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.587 -3.196 -4.017 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.046 -4.022 -5.972 1.00 0.00 O ATOM 0 H ASP A 34 15.677 -1.764 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 34 15.288 -3.087 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.457 -4.178 -3.153 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.177 -5.159 -4.578 1.00 0.00 H new ATOM 441 N ILE A 35 12.917 -3.010 -4.044 1.00 0.00 N ATOM 442 CA ILE A 35 11.645 -3.583 -3.622 1.00 0.00 C ATOM 443 C ILE A 35 10.494 -3.097 -4.490 1.00 0.00 C ATOM 444 O ILE A 35 10.602 -2.076 -5.172 1.00 0.00 O ATOM 445 CB ILE A 35 11.323 -3.302 -2.127 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.320 -2.151 -1.956 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.596 -3.027 -1.329 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.885 -1.974 -0.518 1.00 0.00 C ATOM 0 H ILE A 35 12.924 -1.997 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 35 11.755 -4.661 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 35 10.856 -4.204 -1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.770 -1.225 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.444 -2.340 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.338 -2.834 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.255 -3.893 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.105 -2.157 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.177 -1.148 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.409 -2.890 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.755 -1.756 0.101 1.00 0.00 H new ATOM 460 N GLU A 36 9.400 -3.849 -4.455 1.00 0.00 N ATOM 461 CA GLU A 36 8.184 -3.495 -5.166 1.00 0.00 C ATOM 462 C GLU A 36 6.995 -3.528 -4.219 1.00 0.00 C ATOM 463 O GLU A 36 6.756 -4.527 -3.540 1.00 0.00 O ATOM 464 CB GLU A 36 7.943 -4.447 -6.325 1.00 0.00 C ATOM 465 CG GLU A 36 8.658 -4.015 -7.600 1.00 0.00 C ATOM 466 CD GLU A 36 8.058 -2.764 -8.213 1.00 0.00 C ATOM 467 OE1 GLU A 36 7.116 -2.896 -9.022 1.00 0.00 O ATOM 468 OE2 GLU A 36 8.536 -1.652 -7.912 1.00 0.00 O ATOM 0 H GLU A 36 9.334 -4.722 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 36 8.301 -2.486 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.279 -5.446 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.872 -4.514 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.710 -3.837 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.617 -4.826 -8.327 1.00 0.00 H new ATOM 475 N VAL A 37 6.276 -2.430 -4.176 1.00 0.00 N ATOM 476 CA VAL A 37 5.096 -2.292 -3.317 1.00 0.00 C ATOM 477 C VAL A 37 3.973 -1.591 -4.078 1.00 0.00 C ATOM 478 O VAL A 37 4.206 -0.575 -4.734 1.00 0.00 O ATOM 479 CB VAL A 37 5.410 -1.540 -1.980 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.661 -0.687 -2.116 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.232 -0.682 -1.534 1.00 0.00 C ATOM 0 H VAL A 37 6.483 -1.600 -4.732 1.00 0.00 H new ATOM 0 HA VAL A 37 4.775 -3.297 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 37 5.587 -2.296 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.857 -0.175 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.510 -1.323 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.515 0.050 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.484 -0.174 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.009 0.058 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.359 -1.316 -1.377 1.00 0.00 H new ATOM 491 N ASP A 38 2.761 -2.135 -3.997 1.00 0.00 N ATOM 492 CA ASP A 38 1.615 -1.554 -4.693 1.00 0.00 C ATOM 493 C ASP A 38 0.367 -1.596 -3.811 1.00 0.00 C ATOM 494 O ASP A 38 0.336 -2.284 -2.791 1.00 0.00 O ATOM 495 CB ASP A 38 1.305 -2.305 -6.003 1.00 0.00 C ATOM 496 CG ASP A 38 2.274 -2.014 -7.133 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.043 -2.922 -7.512 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.229 -0.894 -7.683 1.00 0.00 O ATOM 0 H ASP A 38 2.547 -2.974 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 38 1.879 -0.522 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.309 -3.377 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.298 -2.045 -6.328 1.00 0.00 H new ATOM 503 N LEU A 39 -0.666 -0.885 -4.244 1.00 0.00 N ATOM 504 CA LEU A 39 -1.956 -0.907 -3.570 1.00 0.00 C ATOM 505 C LEU A 39 -2.948 -1.677 -4.438 1.00 0.00 C ATOM 506 O LEU A 39 -3.083 -1.399 -5.633 1.00 0.00 O ATOM 507 CB LEU A 39 -2.456 0.515 -3.257 1.00 0.00 C ATOM 508 CG LEU A 39 -1.974 1.103 -1.914 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.474 1.357 -1.914 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.711 2.388 -1.591 1.00 0.00 C ATOM 0 H LEU A 39 -0.634 -0.282 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.853 -1.411 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.138 1.179 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.546 0.508 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.193 0.362 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.175 1.771 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.054 0.419 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.225 2.064 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.354 2.783 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.530 3.119 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.780 2.187 -1.522 1.00 0.00 H new ATOM 522 N LEU A 40 -3.606 -2.666 -3.842 1.00 0.00 N ATOM 523 CA LEU A 40 -4.413 -3.631 -4.584 1.00 0.00 C ATOM 524 C LEU A 40 -5.870 -3.662 -4.124 1.00 0.00 C ATOM 525 O LEU A 40 -6.235 -3.104 -3.089 1.00 0.00 O ATOM 526 CB LEU A 40 -3.878 -5.060 -4.401 1.00 0.00 C ATOM 527 CG LEU A 40 -2.413 -5.336 -4.766 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.238 -6.833 -4.993 1.00 0.00 C ATOM 529 CD2 LEU A 40 -1.971 -4.571 -6.005 1.00 0.00 C ATOM 0 H LEU A 40 -3.596 -2.822 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.354 -3.307 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.019 -5.338 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.501 -5.728 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.788 -4.995 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.201 -7.043 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.500 -7.372 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.888 -7.156 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.928 -4.800 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.590 -4.863 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.078 -3.501 -5.829 1.00 0.00 H new ATOM 541 N LYS A 41 -6.680 -4.357 -4.918 1.00 0.00 N ATOM 542 CA LYS A 41 -8.034 -4.742 -4.558 1.00 0.00 C ATOM 543 C LYS A 41 -8.122 -6.239 -4.698 1.00 0.00 C ATOM 544 O LYS A 41 -8.142 -6.721 -5.823 1.00 0.00 O ATOM 545 CB LYS A 41 -9.067 -4.145 -5.526 1.00 0.00 C ATOM 546 CG LYS A 41 -8.629 -2.830 -6.160 1.00 0.00 C ATOM 547 CD LYS A 41 -9.600 -2.319 -7.247 1.00 0.00 C ATOM 548 CE LYS A 41 -11.041 -2.117 -6.747 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.097 -1.248 -5.543 1.00 0.00 N ATOM 0 H LYS A 41 -6.404 -4.673 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.243 -4.388 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.271 -4.868 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.003 -3.985 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.536 -2.073 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.640 -2.959 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.226 -1.374 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.609 -3.027 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.641 -1.674 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.483 -3.086 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.089 -1.028 -5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.662 -1.742 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.579 -0.365 -5.728 1.00 0.00 H new ATOM 563 N ASN A 42 -8.188 -6.969 -3.582 1.00 0.00 N ATOM 564 CA ASN A 42 -8.244 -8.440 -3.615 1.00 0.00 C ATOM 565 C ASN A 42 -7.331 -9.021 -4.701 1.00 0.00 C ATOM 566 O ASN A 42 -7.732 -9.883 -5.484 1.00 0.00 O ATOM 567 CB ASN A 42 -9.704 -8.932 -3.773 1.00 0.00 C ATOM 568 CG ASN A 42 -10.502 -8.144 -4.800 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.645 -8.552 -5.951 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.989 -6.977 -4.384 1.00 0.00 N ATOM 0 H ASN A 42 -8.204 -6.570 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.869 -8.807 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.696 -9.983 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.207 -8.869 -2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.506 -6.380 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.846 -6.679 -3.419 1.00 0.00 H new ATOM 577 N GLY A 43 -6.089 -8.541 -4.720 1.00 0.00 N ATOM 578 CA GLY A 43 -5.126 -8.998 -5.706 1.00 0.00 C ATOM 579 C GLY A 43 -5.232 -8.326 -7.070 1.00 0.00 C ATOM 580 O GLY A 43 -4.831 -8.913 -8.074 1.00 0.00 O ATOM 0 H GLY A 43 -5.733 -7.842 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.122 -8.834 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.246 -10.073 -5.837 1.00 0.00 H new ATOM 584 N GLU A 44 -5.758 -7.109 -7.132 1.00 0.00 N ATOM 585 CA GLU A 44 -5.882 -6.406 -8.410 1.00 0.00 C ATOM 586 C GLU A 44 -5.294 -4.999 -8.291 1.00 0.00 C ATOM 587 O GLU A 44 -5.764 -4.197 -7.485 1.00 0.00 O ATOM 588 CB GLU A 44 -7.352 -6.353 -8.856 1.00 0.00 C ATOM 589 CG GLU A 44 -7.547 -5.866 -10.290 1.00 0.00 C ATOM 590 CD GLU A 44 -6.842 -6.752 -11.298 1.00 0.00 C ATOM 591 OE1 GLU A 44 -7.474 -7.702 -11.808 1.00 0.00 O ATOM 592 OE2 GLU A 44 -5.645 -6.512 -11.574 1.00 0.00 O ATOM 0 H GLU A 44 -6.103 -6.590 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.322 -6.951 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.787 -7.348 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.902 -5.697 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.612 -5.835 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.171 -4.847 -10.380 1.00 0.00 H new ATOM 599 N ARG A 45 -4.232 -4.733 -9.053 1.00 0.00 N ATOM 600 CA ARG A 45 -3.566 -3.433 -9.034 1.00 0.00 C ATOM 601 C ARG A 45 -4.559 -2.301 -9.316 1.00 0.00 C ATOM 602 O ARG A 45 -5.238 -2.285 -10.344 1.00 0.00 O ATOM 603 CB ARG A 45 -2.408 -3.411 -10.065 1.00 0.00 C ATOM 604 CG ARG A 45 -1.300 -2.422 -9.717 1.00 0.00 C ATOM 605 CD ARG A 45 -0.035 -2.570 -10.586 1.00 0.00 C ATOM 606 NE ARG A 45 1.039 -3.250 -9.862 1.00 0.00 N ATOM 607 CZ ARG A 45 1.780 -4.232 -10.360 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.508 -4.737 -11.557 1.00 0.00 N ATOM 609 NH2 ARG A 45 2.800 -4.707 -9.655 1.00 0.00 N ATOM 0 H ARG A 45 -3.814 -5.407 -9.695 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.153 -3.275 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.981 -4.411 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.811 -3.162 -11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.685 -1.408 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.027 -2.551 -8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.277 -3.130 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.306 -1.585 -10.903 1.00 0.00 H new ATOM 0 HE ARG A 45 1.232 -2.948 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.726 -4.370 -12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.081 -5.492 -11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.010 -4.317 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.373 -5.462 -10.032 1.00 0.00 H new ATOM 623 N ILE A 46 -4.626 -1.362 -8.367 1.00 0.00 N ATOM 624 CA ILE A 46 -5.569 -0.248 -8.415 1.00 0.00 C ATOM 625 C ILE A 46 -5.272 0.702 -9.570 1.00 0.00 C ATOM 626 O ILE A 46 -6.074 0.775 -10.497 1.00 0.00 O ATOM 627 CB ILE A 46 -5.576 0.507 -7.065 1.00 0.00 C ATOM 628 CG1 ILE A 46 -5.991 -0.474 -5.960 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.507 1.725 -7.103 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.000 0.104 -4.568 1.00 0.00 C ATOM 0 H ILE A 46 -4.025 -1.356 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.562 -0.662 -8.591 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.576 0.889 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.987 -0.853 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.313 -1.327 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.485 2.230 -6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.174 2.413 -7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.524 1.399 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.306 -0.664 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.000 0.456 -4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.701 0.938 -4.525 1.00 0.00 H new ATOM 642 N GLU A 47 -4.204 1.505 -9.415 1.00 0.00 N ATOM 643 CA GLU A 47 -3.512 2.236 -10.507 1.00 0.00 C ATOM 644 C GLU A 47 -3.177 3.658 -10.070 1.00 0.00 C ATOM 645 O GLU A 47 -2.109 4.167 -10.397 1.00 0.00 O ATOM 646 CB GLU A 47 -4.287 2.331 -11.837 1.00 0.00 C ATOM 647 CG GLU A 47 -4.305 1.048 -12.659 1.00 0.00 C ATOM 648 CD GLU A 47 -4.081 1.296 -14.132 1.00 0.00 C ATOM 649 OE1 GLU A 47 -2.914 1.461 -14.539 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.072 1.318 -14.890 1.00 0.00 O ATOM 0 H GLU A 47 -3.781 1.672 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.620 1.638 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.315 2.623 -11.622 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.849 3.126 -12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.535 0.372 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.263 0.546 -12.521 1.00 0.00 H new ATOM 657 N LYS A 48 -4.074 4.304 -9.320 1.00 0.00 N ATOM 658 CA LYS A 48 -3.902 5.713 -8.985 1.00 0.00 C ATOM 659 C LYS A 48 -2.983 5.869 -7.783 1.00 0.00 C ATOM 660 O LYS A 48 -3.328 6.548 -6.817 1.00 0.00 O ATOM 661 CB LYS A 48 -5.251 6.367 -8.637 1.00 0.00 C ATOM 662 CG LYS A 48 -6.390 6.109 -9.624 1.00 0.00 C ATOM 663 CD LYS A 48 -5.936 6.268 -11.060 1.00 0.00 C ATOM 664 CE LYS A 48 -7.116 6.450 -12.002 1.00 0.00 C ATOM 665 NZ LYS A 48 -6.677 6.556 -13.417 1.00 0.00 N ATOM 0 H LYS A 48 -4.917 3.876 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.469 6.200 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.561 6.015 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.101 7.444 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.779 5.102 -9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.209 6.800 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.270 7.128 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.362 5.392 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.800 5.608 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.669 7.347 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.508 6.679 -14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.044 7.374 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.171 5.689 -13.689 1.00 0.00 H new ATOM 679 N VAL A 49 -1.819 5.255 -7.830 1.00 0.00 N ATOM 680 CA VAL A 49 -0.926 5.284 -6.697 1.00 0.00 C ATOM 681 C VAL A 49 0.381 5.932 -7.135 1.00 0.00 C ATOM 682 O VAL A 49 0.937 5.584 -8.181 1.00 0.00 O ATOM 683 CB VAL A 49 -0.694 3.864 -6.100 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.626 3.265 -6.533 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.778 3.892 -4.587 1.00 0.00 C ATOM 0 H VAL A 49 -1.473 4.734 -8.636 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.376 5.871 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.489 3.229 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.739 2.276 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.648 3.181 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.443 3.906 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.613 2.889 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.017 4.566 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.765 4.242 -4.284 1.00 0.00 H new ATOM 695 N GLU A 50 0.827 6.914 -6.382 1.00 0.00 N ATOM 696 CA GLU A 50 2.036 7.642 -6.757 1.00 0.00 C ATOM 697 C GLU A 50 2.901 7.983 -5.546 1.00 0.00 C ATOM 698 O GLU A 50 2.508 8.772 -4.687 1.00 0.00 O ATOM 699 CB GLU A 50 1.671 8.943 -7.497 1.00 0.00 C ATOM 700 CG GLU A 50 0.993 8.774 -8.863 1.00 0.00 C ATOM 701 CD GLU A 50 0.529 10.098 -9.427 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.700 10.303 -9.550 1.00 0.00 O ATOM 703 OE2 GLU A 50 1.390 10.949 -9.734 1.00 0.00 O ATOM 0 H GLU A 50 0.384 7.229 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 50 2.610 6.987 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.012 9.529 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.581 9.526 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.689 8.306 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.141 8.102 -8.765 1.00 0.00 H new ATOM 710 N HIS A 51 4.063 7.350 -5.471 1.00 0.00 N ATOM 711 CA HIS A 51 5.141 7.779 -4.592 1.00 0.00 C ATOM 712 C HIS A 51 6.350 8.101 -5.471 1.00 0.00 C ATOM 713 O HIS A 51 6.300 7.855 -6.680 1.00 0.00 O ATOM 714 CB HIS A 51 5.440 6.703 -3.517 1.00 0.00 C ATOM 715 CG HIS A 51 6.532 7.087 -2.560 1.00 0.00 C ATOM 716 ND1 HIS A 51 7.675 6.336 -2.435 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.611 8.151 -1.723 1.00 0.00 C ATOM 718 CE1 HIS A 51 8.418 6.955 -1.535 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.816 8.062 -1.076 1.00 0.00 N ATOM 0 H HIS A 51 4.285 6.520 -6.021 1.00 0.00 H new ATOM 0 HA HIS A 51 4.862 8.673 -4.035 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.529 6.504 -2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.716 5.773 -4.014 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.866 8.922 -1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.389 6.612 -1.209 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.183 8.711 -0.381 1.00 0.00 H new ATOM 727 N SER A 52 7.437 8.627 -4.913 1.00 0.00 N ATOM 728 CA SER A 52 8.488 9.132 -5.772 1.00 0.00 C ATOM 729 C SER A 52 9.771 8.403 -5.397 1.00 0.00 C ATOM 730 O SER A 52 10.260 8.531 -4.273 1.00 0.00 O ATOM 731 CB SER A 52 8.631 10.654 -5.637 1.00 0.00 C ATOM 732 OG SER A 52 8.582 11.070 -4.279 1.00 0.00 O ATOM 0 H SER A 52 7.605 8.711 -3.910 1.00 0.00 H new ATOM 0 HA SER A 52 8.251 8.946 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.575 10.971 -6.081 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.835 11.145 -6.197 1.00 0.00 H new ATOM 0 HG SER A 52 9.115 10.458 -3.730 1.00 0.00 H new ATOM 738 N ASP A 53 10.310 7.622 -6.319 1.00 0.00 N ATOM 739 CA ASP A 53 11.375 6.704 -5.968 1.00 0.00 C ATOM 740 C ASP A 53 12.725 7.289 -6.329 1.00 0.00 C ATOM 741 O ASP A 53 12.843 8.108 -7.242 1.00 0.00 O ATOM 742 CB ASP A 53 11.164 5.339 -6.634 1.00 0.00 C ATOM 743 CG ASP A 53 11.317 5.378 -8.143 1.00 0.00 C ATOM 744 OD1 ASP A 53 12.425 5.107 -8.644 1.00 0.00 O ATOM 745 OD2 ASP A 53 10.320 5.669 -8.835 1.00 0.00 O ATOM 0 H ASP A 53 10.032 7.606 -7.300 1.00 0.00 H new ATOM 0 HA ASP A 53 11.353 6.551 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.879 4.627 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.168 4.971 -6.386 1.00 0.00 H new ATOM 750 N LEU A 54 13.732 6.876 -5.584 1.00 0.00 N ATOM 751 CA LEU A 54 15.071 7.431 -5.718 1.00 0.00 C ATOM 752 C LEU A 54 16.005 6.444 -6.413 1.00 0.00 C ATOM 753 O LEU A 54 15.553 5.533 -7.103 1.00 0.00 O ATOM 754 CB LEU A 54 15.642 7.874 -4.337 1.00 0.00 C ATOM 755 CG LEU A 54 15.407 6.951 -3.103 1.00 0.00 C ATOM 756 CD1 LEU A 54 14.004 7.112 -2.513 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.663 5.485 -3.433 1.00 0.00 C ATOM 0 H LEU A 54 13.649 6.151 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 54 15.001 8.321 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 16.718 8.007 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.222 8.853 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 54 16.129 7.270 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.891 6.448 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 54 13.860 8.144 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.260 6.859 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.488 4.876 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.989 5.168 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.695 5.361 -3.760 1.00 0.00 H new ATOM 769 N SER A 55 17.298 6.622 -6.214 1.00 0.00 N ATOM 770 CA SER A 55 18.294 5.810 -6.890 1.00 0.00 C ATOM 771 C SER A 55 18.544 4.509 -6.131 1.00 0.00 C ATOM 772 O SER A 55 18.436 3.419 -6.692 1.00 0.00 O ATOM 773 CB SER A 55 19.578 6.620 -7.027 1.00 0.00 C ATOM 774 OG SER A 55 19.723 7.503 -5.925 1.00 0.00 O ATOM 0 H SER A 55 17.685 7.326 -5.586 1.00 0.00 H new ATOM 0 HA SER A 55 17.930 5.539 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 55 20.435 5.949 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.560 7.188 -7.957 1.00 0.00 H new ATOM 0 HG SER A 55 20.347 8.221 -6.161 1.00 0.00 H new ATOM 780 N PHE A 56 18.845 4.626 -4.844 1.00 0.00 N ATOM 781 CA PHE A 56 19.085 3.466 -3.997 1.00 0.00 C ATOM 782 C PHE A 56 18.792 3.831 -2.550 1.00 0.00 C ATOM 783 O PHE A 56 17.892 3.277 -1.919 1.00 0.00 O ATOM 784 CB PHE A 56 20.535 2.983 -4.149 1.00 0.00 C ATOM 785 CG PHE A 56 20.898 1.816 -3.267 1.00 0.00 C ATOM 786 CD1 PHE A 56 21.516 2.020 -2.043 1.00 0.00 C ATOM 787 CD2 PHE A 56 20.623 0.518 -3.664 1.00 0.00 C ATOM 788 CE1 PHE A 56 21.851 0.952 -1.234 1.00 0.00 C ATOM 789 CE2 PHE A 56 20.956 -0.553 -2.858 1.00 0.00 C ATOM 790 CZ PHE A 56 21.570 -0.336 -1.642 1.00 0.00 C ATOM 0 H PHE A 56 18.929 5.521 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 56 18.425 2.654 -4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 56 20.705 2.704 -5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.207 3.813 -3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 56 21.738 3.026 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.143 0.341 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 56 22.332 1.125 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 56 20.736 -1.560 -3.180 1.00 0.00 H new ATOM 0 HZ PHE A 56 21.830 -1.173 -1.010 1.00 0.00 H new ATOM 800 N SER A 57 19.553 4.790 -2.057 1.00 0.00 N ATOM 801 CA SER A 57 19.398 5.318 -0.710 1.00 0.00 C ATOM 802 C SER A 57 20.081 6.682 -0.646 1.00 0.00 C ATOM 803 O SER A 57 20.991 6.917 0.152 1.00 0.00 O ATOM 804 CB SER A 57 20.002 4.352 0.316 1.00 0.00 C ATOM 805 OG SER A 57 19.701 4.747 1.644 1.00 0.00 O ATOM 0 H SER A 57 20.306 5.231 -2.585 1.00 0.00 H new ATOM 0 HA SER A 57 18.340 5.429 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.620 3.347 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.083 4.310 0.184 1.00 0.00 H new ATOM 0 HG SER A 57 20.091 5.629 1.819 1.00 0.00 H new ATOM 811 N LYS A 58 19.652 7.570 -1.528 1.00 0.00 N ATOM 812 CA LYS A 58 20.273 8.876 -1.673 1.00 0.00 C ATOM 813 C LYS A 58 19.368 9.948 -1.088 1.00 0.00 C ATOM 814 O LYS A 58 18.217 10.084 -1.512 1.00 0.00 O ATOM 815 CB LYS A 58 20.535 9.153 -3.154 1.00 0.00 C ATOM 816 CG LYS A 58 21.531 10.267 -3.411 1.00 0.00 C ATOM 817 CD LYS A 58 21.760 10.453 -4.900 1.00 0.00 C ATOM 818 CE LYS A 58 22.960 11.339 -5.177 1.00 0.00 C ATOM 819 NZ LYS A 58 24.217 10.755 -4.636 1.00 0.00 N ATOM 0 H LYS A 58 18.868 7.407 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 58 21.221 8.890 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.899 8.240 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.591 9.406 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.164 11.197 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.476 10.037 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 58 21.910 9.481 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 58 20.871 10.892 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.062 11.487 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.796 12.321 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.033 11.172 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.285 10.959 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.213 9.725 -4.783 1.00 0.00 H new ATOM 833 N ASP A 59 19.894 10.697 -0.117 1.00 0.00 N ATOM 834 CA ASP A 59 19.112 11.703 0.607 1.00 0.00 C ATOM 835 C ASP A 59 17.856 11.047 1.175 1.00 0.00 C ATOM 836 O ASP A 59 16.730 11.501 0.963 1.00 0.00 O ATOM 837 CB ASP A 59 18.757 12.880 -0.315 1.00 0.00 C ATOM 838 CG ASP A 59 18.164 14.062 0.430 1.00 0.00 C ATOM 839 OD1 ASP A 59 18.909 14.750 1.157 1.00 0.00 O ATOM 840 OD2 ASP A 59 16.954 14.332 0.271 1.00 0.00 O ATOM 0 H ASP A 59 20.865 10.625 0.188 1.00 0.00 H new ATOM 0 HA ASP A 59 19.705 12.102 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.654 13.204 -0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.048 12.541 -1.070 1.00 0.00 H new ATOM 845 N TRP A 60 18.071 9.956 1.892 1.00 0.00 N ATOM 846 CA TRP A 60 16.983 9.120 2.364 1.00 0.00 C ATOM 847 C TRP A 60 17.084 8.899 3.862 1.00 0.00 C ATOM 848 O TRP A 60 18.078 8.372 4.363 1.00 0.00 O ATOM 849 CB TRP A 60 17.016 7.769 1.636 1.00 0.00 C ATOM 850 CG TRP A 60 15.846 6.880 1.941 1.00 0.00 C ATOM 851 CD1 TRP A 60 14.650 6.852 1.275 1.00 0.00 C ATOM 852 CD2 TRP A 60 15.751 5.885 2.980 1.00 0.00 C ATOM 853 NE1 TRP A 60 13.827 5.912 1.827 1.00 0.00 N ATOM 854 CE2 TRP A 60 14.471 5.307 2.869 1.00 0.00 C ATOM 855 CE3 TRP A 60 16.614 5.419 3.994 1.00 0.00 C ATOM 856 CZ2 TRP A 60 14.029 4.304 3.714 1.00 0.00 C ATOM 857 CZ3 TRP A 60 16.166 4.416 4.834 1.00 0.00 C ATOM 858 CH2 TRP A 60 14.886 3.868 4.691 1.00 0.00 C ATOM 0 H TRP A 60 18.999 9.628 2.161 1.00 0.00 H new ATOM 0 HA TRP A 60 16.041 9.626 2.153 1.00 0.00 H new ATOM 0 HB2 TRP A 60 17.052 7.948 0.561 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.935 7.247 1.903 1.00 0.00 H new ATOM 0 HD1 TRP A 60 14.395 7.482 0.435 1.00 0.00 H new ATOM 0 HE1 TRP A 60 12.881 5.696 1.511 1.00 0.00 H new ATOM 0 HE3 TRP A 60 17.603 5.836 4.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.042 3.879 3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 16.816 4.049 5.615 1.00 0.00 H new ATOM 0 HH2 TRP A 60 14.567 3.086 5.364 1.00 0.00 H new ATOM 869 N SER A 61 16.065 9.337 4.567 1.00 0.00 N ATOM 870 CA SER A 61 15.903 9.011 5.966 1.00 0.00 C ATOM 871 C SER A 61 14.434 8.702 6.237 1.00 0.00 C ATOM 872 O SER A 61 14.118 7.851 7.071 1.00 0.00 O ATOM 873 CB SER A 61 16.425 10.147 6.860 1.00 0.00 C ATOM 874 OG SER A 61 15.958 11.403 6.396 1.00 0.00 O ATOM 0 H SER A 61 15.326 9.929 4.187 1.00 0.00 H new ATOM 0 HA SER A 61 16.495 8.128 6.207 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.097 9.988 7.887 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.515 10.139 6.868 1.00 0.00 H new ATOM 0 HG SER A 61 16.299 12.114 6.978 1.00 0.00 H new ATOM 880 N PHE A 62 13.535 9.411 5.534 1.00 0.00 N ATOM 881 CA PHE A 62 12.102 9.134 5.562 1.00 0.00 C ATOM 882 C PHE A 62 11.733 7.670 5.322 1.00 0.00 C ATOM 883 O PHE A 62 12.515 6.869 4.816 1.00 0.00 O ATOM 884 CB PHE A 62 11.389 10.031 4.534 1.00 0.00 C ATOM 885 CG PHE A 62 11.837 9.870 3.099 1.00 0.00 C ATOM 886 CD1 PHE A 62 13.077 10.328 2.678 1.00 0.00 C ATOM 887 CD2 PHE A 62 10.999 9.281 2.163 1.00 0.00 C ATOM 888 CE1 PHE A 62 13.472 10.199 1.360 1.00 0.00 C ATOM 889 CE2 PHE A 62 11.391 9.151 0.843 1.00 0.00 C ATOM 890 CZ PHE A 62 12.627 9.611 0.442 1.00 0.00 C ATOM 0 H PHE A 62 13.790 10.193 4.931 1.00 0.00 H new ATOM 0 HA PHE A 62 11.769 9.356 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.319 9.831 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.533 11.071 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.743 10.792 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.028 8.920 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.442 10.558 1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.728 8.689 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.933 9.511 -0.589 1.00 0.00 H new ATOM 900 N TYR A 63 10.497 7.369 5.693 1.00 0.00 N ATOM 901 CA TYR A 63 9.930 6.030 5.641 1.00 0.00 C ATOM 902 C TYR A 63 9.309 5.779 4.261 1.00 0.00 C ATOM 903 O TYR A 63 9.196 6.703 3.456 1.00 0.00 O ATOM 904 CB TYR A 63 8.894 5.936 6.782 1.00 0.00 C ATOM 905 CG TYR A 63 9.160 4.826 7.791 1.00 0.00 C ATOM 906 CD1 TYR A 63 10.455 4.379 8.050 1.00 0.00 C ATOM 907 CD2 TYR A 63 8.113 4.239 8.499 1.00 0.00 C ATOM 908 CE1 TYR A 63 10.697 3.380 8.981 1.00 0.00 C ATOM 909 CE2 TYR A 63 8.349 3.238 9.431 1.00 0.00 C ATOM 910 CZ TYR A 63 9.641 2.817 9.666 1.00 0.00 C ATOM 911 OH TYR A 63 9.872 1.821 10.587 1.00 0.00 O ATOM 0 H TYR A 63 9.844 8.068 6.048 1.00 0.00 H new ATOM 0 HA TYR A 63 10.689 5.260 5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.867 6.889 7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.906 5.784 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.285 4.819 7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 63 7.100 4.569 8.319 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.706 3.045 9.168 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.526 2.791 9.969 1.00 0.00 H new ATOM 0 HH TYR A 63 9.021 1.535 10.980 1.00 0.00 H new ATOM 921 N LEU A 64 8.894 4.543 3.991 1.00 0.00 N ATOM 922 CA LEU A 64 8.303 4.203 2.695 1.00 0.00 C ATOM 923 C LEU A 64 6.799 4.111 2.862 1.00 0.00 C ATOM 924 O LEU A 64 6.296 3.325 3.669 1.00 0.00 O ATOM 925 CB LEU A 64 8.828 2.838 2.213 1.00 0.00 C ATOM 926 CG LEU A 64 10.059 2.847 1.293 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.690 1.456 1.253 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.663 3.271 -0.119 1.00 0.00 C ATOM 0 H LEU A 64 8.955 3.764 4.646 1.00 0.00 H new ATOM 0 HA LEU A 64 8.568 4.968 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.066 2.238 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.018 2.330 1.690 1.00 0.00 H new ATOM 0 HG LEU A 64 10.783 3.561 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.562 1.471 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.995 1.166 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.963 0.738 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.545 3.273 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.928 2.571 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.233 4.272 -0.091 1.00 0.00 H new ATOM 940 N LEU A 65 6.096 4.924 2.097 1.00 0.00 N ATOM 941 CA LEU A 65 4.643 4.951 2.112 1.00 0.00 C ATOM 942 C LEU A 65 4.118 5.373 0.741 1.00 0.00 C ATOM 943 O LEU A 65 4.728 6.195 0.062 1.00 0.00 O ATOM 944 CB LEU A 65 4.161 5.931 3.185 1.00 0.00 C ATOM 945 CG LEU A 65 2.659 6.219 3.202 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.868 4.948 3.442 1.00 0.00 C ATOM 947 CD2 LEU A 65 2.331 7.262 4.261 1.00 0.00 C ATOM 0 H LEU A 65 6.516 5.587 1.445 1.00 0.00 H new ATOM 0 HA LEU A 65 4.264 3.955 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.447 5.540 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.691 6.874 3.052 1.00 0.00 H new ATOM 0 HG LEU A 65 2.376 6.614 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.803 5.178 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.079 4.233 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.153 4.518 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.258 7.456 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.633 6.893 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.867 8.185 4.041 1.00 0.00 H new ATOM 959 N TYR A 66 2.992 4.804 0.345 1.00 0.00 N ATOM 960 CA TYR A 66 2.377 5.099 -0.943 1.00 0.00 C ATOM 961 C TYR A 66 0.925 5.523 -0.717 1.00 0.00 C ATOM 962 O TYR A 66 0.359 5.216 0.333 1.00 0.00 O ATOM 963 CB TYR A 66 2.449 3.856 -1.852 1.00 0.00 C ATOM 964 CG TYR A 66 3.860 3.530 -2.349 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.189 3.684 -3.692 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.862 3.081 -1.485 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.461 3.401 -4.162 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.140 2.800 -1.953 1.00 0.00 C ATOM 969 CZ TYR A 66 6.429 2.962 -3.288 1.00 0.00 C ATOM 970 OH TYR A 66 7.695 2.680 -3.750 1.00 0.00 O ATOM 0 H TYR A 66 2.477 4.125 0.905 1.00 0.00 H new ATOM 0 HA TYR A 66 2.911 5.912 -1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.059 2.996 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.798 4.009 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.436 4.032 -4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.640 2.950 -0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.692 3.524 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.903 2.456 -1.271 1.00 0.00 H new ATOM 0 HH TYR A 66 8.257 2.383 -3.004 1.00 0.00 H new ATOM 980 N TYR A 67 0.310 6.220 -1.679 1.00 0.00 N ATOM 981 CA TYR A 67 -1.062 6.699 -1.483 1.00 0.00 C ATOM 982 C TYR A 67 -1.900 6.597 -2.760 1.00 0.00 C ATOM 983 O TYR A 67 -1.416 6.879 -3.857 1.00 0.00 O ATOM 984 CB TYR A 67 -1.112 8.132 -0.903 1.00 0.00 C ATOM 985 CG TYR A 67 -0.176 9.156 -1.530 1.00 0.00 C ATOM 986 CD1 TYR A 67 1.000 9.526 -0.886 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.477 9.776 -2.738 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.848 10.473 -1.425 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.370 10.722 -3.287 1.00 0.00 C ATOM 990 CZ TYR A 67 1.530 11.066 -2.626 1.00 0.00 C ATOM 991 OH TYR A 67 2.374 12.007 -3.165 1.00 0.00 O ATOM 0 H TYR A 67 0.727 6.460 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.506 6.033 -0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.133 8.502 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.890 8.076 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.255 9.063 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.388 9.514 -3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.755 10.747 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.124 11.189 -4.229 1.00 0.00 H new ATOM 0 HH TYR A 67 2.006 12.328 -4.015 1.00 0.00 H new ATOM 1001 N THR A 68 -3.159 6.178 -2.596 1.00 0.00 N ATOM 1002 CA THR A 68 -4.092 6.017 -3.712 1.00 0.00 C ATOM 1003 C THR A 68 -5.500 6.425 -3.268 1.00 0.00 C ATOM 1004 O THR A 68 -5.856 6.282 -2.091 1.00 0.00 O ATOM 1005 CB THR A 68 -4.115 4.553 -4.245 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.499 4.541 -5.620 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.089 3.673 -3.478 1.00 0.00 C ATOM 0 H THR A 68 -3.558 5.942 -1.687 1.00 0.00 H new ATOM 0 HA THR A 68 -3.753 6.661 -4.524 1.00 0.00 H new ATOM 0 HB THR A 68 -3.108 4.157 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.379 5.436 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.067 2.663 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.803 3.644 -2.427 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.096 4.080 -3.569 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.275 6.967 -4.203 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.670 7.339 -3.950 1.00 0.00 C ATOM 1017 C GLU A 69 -8.542 6.087 -3.807 1.00 0.00 C ATOM 1018 O GLU A 69 -8.468 5.187 -4.643 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.212 8.191 -5.112 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.674 8.582 -4.954 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.225 9.219 -6.206 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.745 8.481 -7.068 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.123 10.457 -6.342 1.00 0.00 O ATOM 0 H GLU A 69 -5.959 7.161 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.704 7.913 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.610 9.096 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.092 7.638 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.262 7.698 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.776 9.275 -4.119 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.386 6.036 -2.775 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.250 4.876 -2.580 1.00 0.00 C ATOM 1032 C PHE A 70 -11.698 5.282 -2.365 1.00 0.00 C ATOM 1033 O PHE A 70 -11.978 6.416 -1.993 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.748 4.007 -1.413 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.035 4.492 -0.004 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.328 4.734 0.434 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -8.996 4.668 0.893 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.576 5.146 1.727 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -9.242 5.084 2.193 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.537 5.322 2.608 1.00 0.00 C ATOM 0 H PHE A 70 -9.488 6.771 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.208 4.283 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.183 3.014 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.669 3.895 -1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.154 4.598 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.981 4.479 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.591 5.331 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.421 5.222 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.732 5.645 3.620 1.00 0.00 H new ATOM 1050 N THR A 71 -12.608 4.360 -2.644 1.00 0.00 N ATOM 1051 CA THR A 71 -14.007 4.511 -2.269 1.00 0.00 C ATOM 1052 C THR A 71 -14.588 3.151 -1.848 1.00 0.00 C ATOM 1053 O THR A 71 -14.716 2.258 -2.684 1.00 0.00 O ATOM 1054 CB THR A 71 -14.811 5.097 -3.455 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.180 6.305 -3.906 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.252 5.395 -3.064 1.00 0.00 C ATOM 0 H THR A 71 -12.399 3.490 -3.134 1.00 0.00 H new ATOM 0 HA THR A 71 -14.078 5.197 -1.425 1.00 0.00 H new ATOM 0 HB THR A 71 -14.825 4.355 -4.253 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.686 6.677 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.785 5.805 -3.922 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.739 4.475 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.266 6.119 -2.249 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.917 2.943 -0.547 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.421 1.651 -0.088 1.00 0.00 C ATOM 1066 C PRO A 72 -16.828 1.380 -0.566 1.00 0.00 C ATOM 1067 O PRO A 72 -17.712 2.238 -0.511 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.380 1.713 1.442 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.973 3.109 1.816 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.842 3.930 0.552 1.00 0.00 C ATOM 0 HA PRO A 72 -14.812 0.840 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.355 1.470 1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.671 0.986 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.714 3.554 2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.027 3.095 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.640 4.669 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.899 4.476 0.530 1.00 0.00 H new ATOM 1078 N THR A 73 -16.999 0.170 -1.043 1.00 0.00 N ATOM 1079 CA THR A 73 -18.255 -0.303 -1.577 1.00 0.00 C ATOM 1080 C THR A 73 -18.607 -1.613 -0.892 1.00 0.00 C ATOM 1081 O THR A 73 -17.773 -2.178 -0.194 1.00 0.00 O ATOM 1082 CB THR A 73 -18.131 -0.532 -3.097 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.200 -1.593 -3.340 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.657 0.733 -3.797 1.00 0.00 C ATOM 0 H THR A 73 -16.255 -0.527 -1.072 1.00 0.00 H new ATOM 0 HA THR A 73 -19.034 0.438 -1.398 1.00 0.00 H new ATOM 0 HB THR A 73 -19.111 -0.798 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.827 -1.501 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.577 0.548 -4.868 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.372 1.536 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.682 1.022 -3.405 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.821 -2.095 -1.066 1.00 0.00 N ATOM 1093 CA GLU A 74 -20.183 -3.416 -0.583 1.00 0.00 C ATOM 1094 C GLU A 74 -19.296 -4.523 -1.205 1.00 0.00 C ATOM 1095 O GLU A 74 -19.301 -5.659 -0.739 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.683 -3.645 -0.854 1.00 0.00 C ATOM 1097 CG GLU A 74 -22.152 -5.076 -0.651 1.00 0.00 C ATOM 1098 CD GLU A 74 -22.260 -5.463 0.808 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -23.289 -5.135 1.432 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.332 -6.109 1.332 1.00 0.00 O ATOM 0 H GLU A 74 -20.574 -1.594 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 74 -20.005 -3.471 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.261 -2.991 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.903 -3.346 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.124 -5.205 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.459 -5.754 -1.150 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.504 -4.197 -2.228 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.742 -5.238 -2.922 1.00 0.00 C ATOM 1109 C LYS A 75 -16.204 -5.166 -2.771 1.00 0.00 C ATOM 1110 O LYS A 75 -15.562 -6.207 -2.657 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.114 -5.275 -4.414 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.577 -5.631 -4.719 1.00 0.00 C ATOM 1113 CD LYS A 75 -19.834 -7.144 -4.769 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.662 -7.831 -3.420 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.210 -9.213 -3.425 1.00 0.00 N ATOM 0 H LYS A 75 -18.375 -3.251 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.034 -6.161 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.897 -4.300 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.470 -5.998 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.219 -5.185 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.860 -5.189 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.846 -7.321 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.153 -7.597 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.604 -7.862 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.162 -7.245 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.073 -9.644 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.226 -9.183 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.716 -9.780 -4.143 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.597 -3.978 -2.762 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.158 -3.890 -2.997 1.00 0.00 C ATOM 1131 C ASP A 76 -13.326 -3.946 -1.697 1.00 0.00 C ATOM 1132 O ASP A 76 -13.512 -3.144 -0.782 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.818 -2.603 -3.756 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.669 -2.382 -4.988 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -14.652 -3.240 -5.885 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.331 -1.326 -5.080 1.00 0.00 O ATOM 0 H ASP A 76 -16.065 -3.087 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.894 -4.764 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.938 -1.753 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.769 -2.631 -4.050 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.388 -4.887 -1.662 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.409 -5.054 -0.570 1.00 0.00 C ATOM 1143 C GLU A 77 -10.137 -4.307 -0.964 1.00 0.00 C ATOM 1144 O GLU A 77 -9.825 -4.217 -2.152 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.085 -6.546 -0.401 1.00 0.00 C ATOM 1146 CG GLU A 77 -10.041 -6.874 0.669 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.627 -8.329 0.613 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -10.260 -9.162 1.294 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.674 -8.646 -0.127 1.00 0.00 O ATOM 0 H GLU A 77 -12.277 -5.576 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.810 -4.665 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.007 -7.075 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.735 -6.935 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.165 -6.240 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.446 -6.648 1.655 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.413 -3.768 0.000 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.172 -3.051 -0.306 1.00 0.00 C ATOM 1158 C TYR A 78 -6.973 -3.702 0.379 1.00 0.00 C ATOM 1159 O TYR A 78 -7.013 -3.988 1.575 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.291 -1.578 0.103 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.305 -0.811 -0.713 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.664 -0.912 -0.443 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.901 0.012 -1.755 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.592 -0.219 -1.200 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.825 0.709 -2.509 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.166 0.588 -2.226 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.088 1.269 -2.982 1.00 0.00 O ATOM 0 H TYR A 78 -9.652 -3.807 0.991 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.010 -3.103 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.565 -1.522 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.317 -1.100 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.001 -1.540 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.849 0.109 -1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.646 -0.312 -0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.496 1.346 -3.317 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.972 1.196 -2.564 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.914 -3.945 -0.394 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.720 -4.623 0.096 1.00 0.00 C ATOM 1179 C ALA A 79 -3.454 -3.904 -0.371 1.00 0.00 C ATOM 1180 O ALA A 79 -3.512 -3.085 -1.281 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.713 -6.054 -0.419 1.00 0.00 C ATOM 0 H ALA A 79 -5.863 -3.676 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.735 -4.617 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.822 -6.567 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.602 -6.574 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.710 -6.048 -1.509 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.320 -4.186 0.265 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.041 -3.675 -0.219 1.00 0.00 C ATOM 1189 C CYS A 80 -0.032 -4.819 -0.385 1.00 0.00 C ATOM 1190 O CYS A 80 0.099 -5.669 0.497 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.505 -2.591 0.718 1.00 0.00 C ATOM 1192 SG CYS A 80 1.131 -1.943 0.254 1.00 0.00 S ATOM 0 H CYS A 80 -2.260 -4.759 1.107 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.195 -3.222 -1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.216 -1.765 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.449 -2.996 1.729 1.00 0.00 H new ATOM 1197 N ARG A 81 0.640 -4.856 -1.537 1.00 0.00 N ATOM 1198 CA ARG A 81 1.561 -5.944 -1.887 1.00 0.00 C ATOM 1199 C ARG A 81 3.013 -5.468 -1.812 1.00 0.00 C ATOM 1200 O ARG A 81 3.327 -4.394 -2.310 1.00 0.00 O ATOM 1201 CB ARG A 81 1.274 -6.405 -3.323 1.00 0.00 C ATOM 1202 CG ARG A 81 1.911 -7.752 -3.710 1.00 0.00 C ATOM 1203 CD ARG A 81 0.880 -8.826 -4.109 1.00 0.00 C ATOM 1204 NE ARG A 81 1.244 -10.140 -3.575 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.090 -11.284 -4.246 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.610 -11.274 -5.483 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.437 -12.439 -3.691 1.00 0.00 N ATOM 0 H ARG A 81 0.563 -4.135 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 81 1.414 -6.762 -1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.195 -6.478 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.630 -5.640 -4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.600 -7.594 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.502 -8.120 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.105 -8.542 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.810 -8.880 -5.195 1.00 0.00 H new ATOM 0 HE ARG A 81 1.638 -10.184 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.357 -10.390 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.494 -12.150 -5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.823 -12.456 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.317 -13.310 -4.208 1.00 0.00 H new ATOM 1221 N VAL A 82 3.893 -6.256 -1.196 1.00 0.00 N ATOM 1222 CA VAL A 82 5.322 -5.940 -1.218 1.00 0.00 C ATOM 1223 C VAL A 82 6.162 -7.180 -1.530 1.00 0.00 C ATOM 1224 O VAL A 82 5.897 -8.278 -1.030 1.00 0.00 O ATOM 1225 CB VAL A 82 5.810 -5.268 0.093 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.070 -6.286 1.199 1.00 0.00 C ATOM 1227 CG2 VAL A 82 7.047 -4.427 -0.184 1.00 0.00 C ATOM 0 H VAL A 82 3.649 -7.104 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 82 5.460 -5.215 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 82 5.014 -4.616 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.410 -5.769 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.150 -6.828 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.836 -6.989 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.383 -3.959 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.839 -5.064 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.806 -3.655 -0.915 1.00 0.00 H new ATOM 1237 N ASN A 83 7.128 -6.987 -2.418 1.00 0.00 N ATOM 1238 CA ASN A 83 8.048 -8.045 -2.820 1.00 0.00 C ATOM 1239 C ASN A 83 9.481 -7.563 -2.761 1.00 0.00 C ATOM 1240 O ASN A 83 9.801 -6.471 -3.240 1.00 0.00 O ATOM 1241 CB ASN A 83 7.726 -8.523 -4.238 1.00 0.00 C ATOM 1242 CG ASN A 83 8.506 -9.767 -4.623 1.00 0.00 C ATOM 1243 OD1 ASN A 83 8.863 -10.581 -3.770 1.00 0.00 O ATOM 1244 ND2 ASN A 83 8.763 -9.931 -5.912 1.00 0.00 N ATOM 0 H ASN A 83 7.297 -6.094 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 83 7.928 -8.876 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.658 -8.729 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.948 -7.725 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.274 -10.755 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.450 -9.233 -6.587 1.00 0.00 H new ATOM 1251 N HIS A 84 10.343 -8.380 -2.175 1.00 0.00 N ATOM 1252 CA HIS A 84 11.735 -8.069 -2.054 1.00 0.00 C ATOM 1253 C HIS A 84 12.550 -9.258 -2.543 1.00 0.00 C ATOM 1254 O HIS A 84 12.008 -10.356 -2.692 1.00 0.00 O ATOM 1255 CB HIS A 84 12.099 -7.786 -0.599 1.00 0.00 C ATOM 1256 CG HIS A 84 11.183 -6.868 0.135 1.00 0.00 C ATOM 1257 ND1 HIS A 84 9.897 -7.222 0.438 1.00 0.00 N ATOM 1258 CD2 HIS A 84 11.430 -5.631 0.614 1.00 0.00 C ATOM 1259 CE1 HIS A 84 9.388 -6.199 1.086 1.00 0.00 C ATOM 1260 NE2 HIS A 84 10.275 -5.207 1.214 1.00 0.00 N ATOM 0 H HIS A 84 10.082 -9.280 -1.772 1.00 0.00 H new ATOM 0 HA HIS A 84 11.951 -7.183 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.137 -8.735 -0.063 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.104 -7.364 -0.572 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.357 -5.083 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.378 -6.164 1.468 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.121 -4.308 1.671 1.00 0.00 H new ATOM 1268 N VAL A 85 13.836 -9.044 -2.790 1.00 0.00 N ATOM 1269 CA VAL A 85 14.739 -10.133 -3.191 1.00 0.00 C ATOM 1270 C VAL A 85 14.661 -11.320 -2.215 1.00 0.00 C ATOM 1271 O VAL A 85 14.793 -12.478 -2.614 1.00 0.00 O ATOM 1272 CB VAL A 85 16.210 -9.653 -3.285 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.121 -10.767 -3.793 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.328 -8.428 -4.180 1.00 0.00 C ATOM 0 H VAL A 85 14.284 -8.130 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 85 14.408 -10.458 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 85 16.531 -9.379 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.146 -10.402 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.075 -11.615 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.794 -11.081 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.370 -8.112 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.976 -8.674 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.722 -7.619 -3.771 1.00 0.00 H new ATOM 1284 N THR A 86 14.411 -11.028 -0.943 1.00 0.00 N ATOM 1285 CA THR A 86 14.411 -12.061 0.095 1.00 0.00 C ATOM 1286 C THR A 86 13.151 -12.940 0.048 1.00 0.00 C ATOM 1287 O THR A 86 13.258 -14.159 -0.098 1.00 0.00 O ATOM 1288 CB THR A 86 14.578 -11.441 1.509 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.239 -12.395 2.522 1.00 0.00 O ATOM 1290 CG2 THR A 86 13.724 -10.189 1.677 1.00 0.00 C ATOM 0 H THR A 86 14.206 -10.088 -0.603 1.00 0.00 H new ATOM 0 HA THR A 86 15.268 -12.702 -0.111 1.00 0.00 H new ATOM 0 HB THR A 86 15.625 -11.158 1.617 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.352 -11.987 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.867 -9.783 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.020 -9.445 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.674 -10.443 1.535 1.00 0.00 H new ATOM 1298 N LEU A 87 11.971 -12.324 0.181 1.00 0.00 N ATOM 1299 CA LEU A 87 10.705 -13.067 0.254 1.00 0.00 C ATOM 1300 C LEU A 87 10.554 -14.094 -0.860 1.00 0.00 C ATOM 1301 O LEU A 87 10.170 -15.232 -0.599 1.00 0.00 O ATOM 1302 CB LEU A 87 9.504 -12.126 0.194 1.00 0.00 C ATOM 1303 CG LEU A 87 9.527 -10.963 1.181 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.405 -9.995 0.877 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.431 -11.466 2.614 1.00 0.00 C ATOM 0 H LEU A 87 11.865 -11.311 0.240 1.00 0.00 H new ATOM 0 HA LEU A 87 10.733 -13.589 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.433 -11.721 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.600 -12.709 0.368 1.00 0.00 H new ATOM 0 HG LEU A 87 10.476 -10.438 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.433 -9.170 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.524 -9.606 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.448 -10.511 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.449 -10.618 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.500 -12.018 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.275 -12.123 2.826 1.00 0.00 H new ATOM 1317 N SER A 88 10.833 -13.669 -2.094 1.00 0.00 N ATOM 1318 CA SER A 88 10.648 -14.495 -3.291 1.00 0.00 C ATOM 1319 C SER A 88 9.170 -14.545 -3.694 1.00 0.00 C ATOM 1320 O SER A 88 8.849 -14.651 -4.878 1.00 0.00 O ATOM 1321 CB SER A 88 11.218 -15.912 -3.098 1.00 0.00 C ATOM 1322 OG SER A 88 11.091 -16.691 -4.276 1.00 0.00 O ATOM 0 H SER A 88 11.196 -12.737 -2.293 1.00 0.00 H new ATOM 0 HA SER A 88 11.207 -14.029 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.269 -15.847 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.698 -16.405 -2.277 1.00 0.00 H new ATOM 0 HG SER A 88 11.464 -17.584 -4.120 1.00 0.00 H new ATOM 1328 N GLN A 89 8.274 -14.454 -2.716 1.00 0.00 N ATOM 1329 CA GLN A 89 6.846 -14.360 -2.993 1.00 0.00 C ATOM 1330 C GLN A 89 6.279 -13.126 -2.273 1.00 0.00 C ATOM 1331 O GLN A 89 6.402 -13.018 -1.051 1.00 0.00 O ATOM 1332 CB GLN A 89 6.095 -15.652 -2.563 1.00 0.00 C ATOM 1333 CG GLN A 89 5.951 -15.862 -1.056 1.00 0.00 C ATOM 1334 CD GLN A 89 7.213 -16.366 -0.385 1.00 0.00 C ATOM 1335 OE1 GLN A 89 7.475 -16.054 0.777 1.00 0.00 O ATOM 1336 NE2 GLN A 89 7.990 -17.165 -1.100 1.00 0.00 N ATOM 0 H GLN A 89 8.512 -14.443 -1.724 1.00 0.00 H new ATOM 0 HA GLN A 89 6.699 -14.254 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.099 -15.636 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.618 -16.511 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.656 -14.920 -0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.145 -16.572 -0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.736 -17.398 -2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.843 -17.547 -0.691 1.00 0.00 H new ATOM 1345 N PRO A 90 5.703 -12.143 -3.004 1.00 0.00 N ATOM 1346 CA PRO A 90 5.153 -10.940 -2.367 1.00 0.00 C ATOM 1347 C PRO A 90 3.988 -11.241 -1.445 1.00 0.00 C ATOM 1348 O PRO A 90 3.272 -12.231 -1.616 1.00 0.00 O ATOM 1349 CB PRO A 90 4.671 -10.058 -3.514 1.00 0.00 C ATOM 1350 CG PRO A 90 4.584 -10.955 -4.707 1.00 0.00 C ATOM 1351 CD PRO A 90 5.574 -12.095 -4.478 1.00 0.00 C ATOM 0 HA PRO A 90 5.915 -10.468 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.702 -9.615 -3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.363 -9.235 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.572 -11.341 -4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.827 -10.410 -5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.202 -13.037 -4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.532 -11.899 -4.959 1.00 0.00 H new ATOM 1359 N LYS A 91 3.783 -10.358 -0.489 1.00 0.00 N ATOM 1360 CA LYS A 91 2.736 -10.542 0.499 1.00 0.00 C ATOM 1361 C LYS A 91 1.602 -9.555 0.261 1.00 0.00 C ATOM 1362 O LYS A 91 1.815 -8.473 -0.286 1.00 0.00 O ATOM 1363 CB LYS A 91 3.277 -10.366 1.928 1.00 0.00 C ATOM 1364 CG LYS A 91 4.492 -11.232 2.262 1.00 0.00 C ATOM 1365 CD LYS A 91 4.294 -12.687 1.846 1.00 0.00 C ATOM 1366 CE LYS A 91 4.852 -13.662 2.877 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.608 -15.073 2.480 1.00 0.00 N ATOM 0 H LYS A 91 4.328 -9.504 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 91 2.361 -11.560 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.543 -9.319 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.479 -10.595 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.372 -10.829 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.686 -11.185 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.231 -12.881 1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.781 -12.858 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.923 -13.496 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.392 -13.471 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.000 -15.710 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.585 -15.237 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.068 -15.261 1.567 1.00 0.00 H new ATOM 1381 N ILE A 92 0.406 -9.952 0.655 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.739 -9.059 0.625 1.00 0.00 C ATOM 1383 C ILE A 92 -1.215 -8.763 2.036 1.00 0.00 C ATOM 1384 O ILE A 92 -1.403 -9.668 2.853 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.920 -9.581 -0.256 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.916 -8.891 -1.624 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.269 -9.369 0.412 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.575 -7.423 -1.554 1.00 0.00 C ATOM 0 H ILE A 92 0.201 -10.890 1.001 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.396 -8.138 0.153 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.770 -10.653 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.198 -9.392 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.897 -9.007 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.059 -9.747 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.293 -9.903 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.424 -8.305 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.590 -6.998 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.307 -6.909 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.581 -7.300 -1.123 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.381 -7.486 2.315 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.949 -7.038 3.566 1.00 0.00 C ATOM 1402 C VAL A 93 -3.263 -6.346 3.263 1.00 0.00 C ATOM 1403 O VAL A 93 -3.304 -5.393 2.490 1.00 0.00 O ATOM 1404 CB VAL A 93 -1.009 -6.069 4.322 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.711 -4.820 3.511 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.599 -5.698 5.674 1.00 0.00 C ATOM 0 H VAL A 93 -1.125 -6.731 1.679 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.099 -7.903 4.212 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.064 -6.589 4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.048 -4.167 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.229 -5.101 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.642 -4.294 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.924 -5.016 6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.564 -5.213 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.732 -6.599 6.272 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.340 -6.830 3.830 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.636 -6.285 3.507 1.00 0.00 C ATOM 1418 C LYS A 94 -6.147 -5.449 4.658 1.00 0.00 C ATOM 1419 O LYS A 94 -5.870 -5.739 5.821 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.616 -7.401 3.192 1.00 0.00 C ATOM 1421 CG LYS A 94 -6.125 -8.341 2.115 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.756 -9.713 2.265 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.259 -10.425 3.519 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.814 -11.799 3.649 1.00 0.00 N ATOM 0 H LYS A 94 -4.347 -7.591 4.509 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.540 -5.651 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.811 -7.971 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.565 -6.965 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.364 -7.932 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.040 -8.427 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.840 -9.613 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.527 -10.318 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.170 -10.476 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.533 -9.841 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.447 -12.241 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.852 -11.751 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.532 -12.367 2.825 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.884 -4.411 4.335 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.414 -3.533 5.358 1.00 0.00 C ATOM 1440 C TRP A 95 -8.661 -4.158 5.976 1.00 0.00 C ATOM 1441 O TRP A 95 -9.604 -4.525 5.271 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.705 -2.133 4.787 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.301 -1.172 5.781 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.837 -0.880 7.038 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.472 -0.363 5.592 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.650 0.035 7.644 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.666 0.372 6.784 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.379 -0.188 4.533 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.729 1.254 6.949 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.428 0.692 4.694 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.603 1.401 5.891 1.00 0.00 C ATOM 0 H TRP A 95 -7.130 -4.153 3.379 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.667 -3.409 6.142 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.777 -1.710 4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.386 -2.232 3.941 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.954 -1.312 7.485 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.523 0.408 8.585 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.256 -0.733 3.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.865 1.802 7.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -12.127 0.838 3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.440 2.077 5.987 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.630 -4.296 7.295 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.714 -4.913 8.053 1.00 0.00 C ATOM 1464 C ASP A 96 -11.012 -4.122 7.893 1.00 0.00 C ATOM 1465 O ASP A 96 -11.197 -3.078 8.519 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.320 -5.018 9.545 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.699 -3.745 10.091 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -9.398 -2.981 10.792 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.499 -3.510 9.823 1.00 0.00 O ATOM 0 H ASP A 96 -7.850 -3.982 7.873 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.884 -5.916 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.206 -5.263 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.616 -5.841 9.671 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.913 -4.622 7.045 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.202 -3.967 6.846 1.00 0.00 C ATOM 1476 C ARG A 97 -14.148 -4.862 6.037 1.00 0.00 C ATOM 1477 O ARG A 97 -15.356 -4.632 6.002 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.987 -2.600 6.154 1.00 0.00 C ATOM 1479 CG ARG A 97 -13.034 -2.634 4.611 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.459 -2.552 4.065 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.524 -2.796 2.630 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.654 -3.093 1.996 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.804 -3.109 2.658 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.639 -3.375 0.706 1.00 0.00 N ATOM 0 H ARG A 97 -11.774 -5.468 6.492 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.670 -3.795 7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.748 -1.906 6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.021 -2.201 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.449 -1.804 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.565 -3.552 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -15.085 -3.279 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.871 -1.566 4.281 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.663 -2.736 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.822 -2.893 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.670 -3.337 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.758 -3.365 0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.508 -3.602 0.224 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.598 -5.911 5.442 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.347 -6.745 4.489 1.00 0.00 C ATOM 1500 C ASP A 98 -13.630 -8.071 4.193 1.00 0.00 C ATOM 1501 O ASP A 98 -14.146 -8.899 3.450 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.530 -5.989 3.179 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.493 -6.672 2.223 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.695 -6.784 2.562 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -15.059 -7.086 1.129 1.00 0.00 O ATOM 0 H ASP A 98 -12.636 -6.212 5.597 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.311 -6.970 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.894 -4.984 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.561 -5.880 2.692 1.00 0.00 H new ATOM 1510 N MET A 99 -12.451 -8.270 4.781 1.00 0.00 N ATOM 1511 CA MET A 99 -11.619 -9.446 4.474 1.00 0.00 C ATOM 1512 C MET A 99 -12.255 -10.757 4.955 1.00 0.00 C ATOM 1513 CB MET A 99 -10.205 -9.308 5.069 1.00 0.00 C ATOM 1514 CG MET A 99 -10.122 -8.522 6.392 1.00 0.00 C ATOM 1515 SD MET A 99 -11.431 -8.930 7.566 1.00 0.00 S ATOM 1516 CE MET A 99 -10.818 -8.141 9.050 1.00 0.00 C ATOM 0 H MET A 99 -12.046 -7.638 5.471 1.00 0.00 H new ATOM 0 HA MET A 99 -11.546 -9.486 3.387 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.798 -10.306 5.232 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.565 -8.819 4.334 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.156 -8.715 6.858 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.163 -7.455 6.173 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.117 -8.723 9.922 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.730 -8.083 9.008 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.233 -7.136 9.125 1.00 0.00 H new TER 1525 MET A 99