USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 873 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 105 THR OG1 : rot 74:sc= 0.266 USER MOD Set 1.2: A 106 CYS SG : rot 6:sc= 0.476 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.034 (180deg=-0.238) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.469 (180deg=-0.594!) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.9) USER MOD Single : A 35 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 37 THR OG1 : rot 176:sc= 0.123 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.19) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= 0.283 (180deg=0.0501) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.22) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= 0.619 (180deg=-1.15) USER MOD Single : A 58 LYS NZ :NH3+ 133:sc= 1.01 (180deg=-0.0829) USER MOD Single : A 62 HIS : no HD1:sc= -2.69 X(o=-2.7,f=-3.1) USER MOD Single : A 63 CYS SG : rot 50:sc= -2.81! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 83:sc= 0.151 USER MOD Single : A 76 MET CE :methyl -157:sc= -0.434 (180deg=-0.771) USER MOD Single : A 77 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.531 USER MOD Single : A 82 THR OG1 : rot 56:sc= 0.0027 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot -153:sc= 0.158 USER MOD Single : A 95 LYS NZ :NH3+ -113:sc= -0.582 (180deg=-2.68!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 162:sc= -1.16 (180deg=-2.51!) USER MOD Single : A 102 TYR OH : rot -18:sc=0.000338 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -170:sc= 0.486 (180deg=0.282) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.777 14.782 -9.379 1.00 0.00 N ATOM 2 CA MET A 1 -5.502 14.918 -8.648 1.00 0.00 C ATOM 3 C MET A 1 -4.986 13.526 -8.227 1.00 0.00 C ATOM 4 O MET A 1 -4.430 12.809 -9.070 1.00 0.00 O ATOM 5 CB MET A 1 -5.665 15.887 -7.445 1.00 0.00 C ATOM 6 CG MET A 1 -6.042 17.325 -7.834 1.00 0.00 C ATOM 7 SD MET A 1 -4.832 18.108 -8.930 1.00 0.00 S ATOM 8 CE MET A 1 -3.357 18.127 -7.904 1.00 0.00 C ATOM 0 H1 MET A 1 -6.867 15.556 -10.067 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.795 13.870 -9.879 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.569 14.823 -8.706 1.00 0.00 H new ATOM 0 HA MET A 1 -4.749 15.357 -9.303 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.430 15.492 -6.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.732 15.909 -6.883 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.016 17.319 -8.324 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.144 17.924 -6.929 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.609 18.779 -8.355 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.610 18.497 -6.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.957 17.116 -7.824 1.00 0.00 H new ATOM 20 N LEU A 2 -5.183 13.113 -6.947 1.00 0.00 N ATOM 21 CA LEU A 2 -4.673 11.810 -6.467 1.00 0.00 C ATOM 22 C LEU A 2 -5.663 10.671 -6.755 1.00 0.00 C ATOM 23 O LEU A 2 -5.276 9.515 -6.721 1.00 0.00 O ATOM 24 CB LEU A 2 -4.296 11.819 -4.949 1.00 0.00 C ATOM 25 CG LEU A 2 -5.315 11.181 -3.945 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.603 10.678 -2.691 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.451 12.152 -3.592 1.00 0.00 C ATOM 0 H LEU A 2 -5.683 13.656 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.756 11.632 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.344 11.301 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.133 12.854 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.770 10.323 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.332 10.240 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.866 9.924 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.101 11.511 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.136 11.672 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.034 13.048 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.990 12.426 -4.499 1.00 0.00 H new ATOM 39 N GLU A 3 -6.950 10.996 -6.984 1.00 0.00 N ATOM 40 CA GLU A 3 -7.990 9.966 -7.204 1.00 0.00 C ATOM 41 C GLU A 3 -7.735 9.172 -8.511 1.00 0.00 C ATOM 42 O GLU A 3 -8.286 8.085 -8.708 1.00 0.00 O ATOM 43 CB GLU A 3 -9.427 10.567 -7.169 1.00 0.00 C ATOM 44 CG GLU A 3 -9.836 11.468 -8.365 1.00 0.00 C ATOM 45 CD GLU A 3 -9.198 12.873 -8.424 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.643 13.368 -7.413 1.00 0.00 O ATOM 47 OE2 GLU A 3 -9.275 13.512 -9.492 1.00 0.00 O ATOM 0 H GLU A 3 -7.295 11.955 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.922 9.263 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.138 9.744 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.530 11.150 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.588 10.943 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.919 11.587 -8.347 1.00 0.00 H new ATOM 54 N ASP A 4 -6.882 9.738 -9.382 1.00 0.00 N ATOM 55 CA ASP A 4 -6.406 9.093 -10.623 1.00 0.00 C ATOM 56 C ASP A 4 -5.330 8.023 -10.308 1.00 0.00 C ATOM 57 O ASP A 4 -5.114 7.094 -11.092 1.00 0.00 O ATOM 58 CB ASP A 4 -5.834 10.167 -11.579 1.00 0.00 C ATOM 59 CG ASP A 4 -6.799 11.345 -11.803 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.801 12.284 -10.976 1.00 0.00 O ATOM 61 OD2 ASP A 4 -7.578 11.330 -12.783 1.00 0.00 O ATOM 0 H ASP A 4 -6.496 10.672 -9.243 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.247 8.594 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.896 10.545 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.603 9.706 -12.539 1.00 0.00 H new ATOM 66 N TYR A 5 -4.658 8.176 -9.141 1.00 0.00 N ATOM 67 CA TYR A 5 -3.659 7.203 -8.611 1.00 0.00 C ATOM 68 C TYR A 5 -4.353 5.930 -8.059 1.00 0.00 C ATOM 69 O TYR A 5 -3.678 5.038 -7.521 1.00 0.00 O ATOM 70 CB TYR A 5 -2.789 7.844 -7.479 1.00 0.00 C ATOM 71 CG TYR A 5 -1.819 8.968 -7.903 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.245 10.063 -8.655 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.474 8.939 -7.518 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.373 11.074 -9.004 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.400 9.942 -7.870 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.051 11.010 -8.612 1.00 0.00 C ATOM 77 OH TYR A 5 0.812 12.032 -8.946 1.00 0.00 O ATOM 0 H TYR A 5 -4.792 8.984 -8.533 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.013 6.925 -9.444 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.460 8.243 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.207 7.052 -7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.276 10.121 -8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.113 8.108 -6.930 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.725 11.915 -9.583 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.435 9.891 -7.565 1.00 0.00 H new ATOM 0 HH TYR A 5 0.314 12.874 -9.006 1.00 0.00 H new ATOM 87 N ALA A 6 -5.704 5.888 -8.145 1.00 0.00 N ATOM 88 CA ALA A 6 -6.507 4.702 -7.801 1.00 0.00 C ATOM 89 C ALA A 6 -6.196 3.562 -8.775 1.00 0.00 C ATOM 90 O ALA A 6 -6.607 3.597 -9.939 1.00 0.00 O ATOM 91 CB ALA A 6 -8.015 5.033 -7.823 1.00 0.00 C ATOM 0 H ALA A 6 -6.264 6.681 -8.457 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.246 4.388 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.587 4.141 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.225 5.820 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.299 5.371 -8.820 1.00 0.00 H new ATOM 97 N ILE A 7 -5.410 2.591 -8.302 1.00 0.00 N ATOM 98 CA ILE A 7 -5.060 1.388 -9.062 1.00 0.00 C ATOM 99 C ILE A 7 -5.924 0.226 -8.547 1.00 0.00 C ATOM 100 O ILE A 7 -6.115 0.078 -7.331 1.00 0.00 O ATOM 101 CB ILE A 7 -3.523 1.047 -8.937 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.662 2.303 -9.312 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.149 -0.164 -9.828 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.154 2.092 -9.298 1.00 0.00 C ATOM 0 H ILE A 7 -4.994 2.618 -7.371 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.255 1.559 -10.121 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.311 0.775 -7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.955 2.639 -10.307 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.905 3.109 -8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.085 -0.378 -9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.726 -1.035 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.372 0.068 -10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.654 3.021 -9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.838 1.790 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.889 1.313 -10.013 1.00 0.00 H new ATOM 116 N SER A 8 -6.473 -0.564 -9.478 1.00 0.00 N ATOM 117 CA SER A 8 -7.304 -1.738 -9.160 1.00 0.00 C ATOM 118 C SER A 8 -6.459 -3.026 -9.193 1.00 0.00 C ATOM 119 O SER A 8 -5.419 -3.076 -9.855 1.00 0.00 O ATOM 120 CB SER A 8 -8.469 -1.820 -10.162 1.00 0.00 C ATOM 121 OG SER A 8 -9.250 -0.637 -10.124 1.00 0.00 O ATOM 0 H SER A 8 -6.354 -0.408 -10.479 1.00 0.00 H new ATOM 0 HA SER A 8 -7.707 -1.633 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.079 -1.971 -11.168 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.095 -2.682 -9.930 1.00 0.00 H new ATOM 0 HG SER A 8 -9.984 -0.709 -10.769 1.00 0.00 H new ATOM 127 N LEU A 9 -6.917 -4.059 -8.471 1.00 0.00 N ATOM 128 CA LEU A 9 -6.220 -5.365 -8.370 1.00 0.00 C ATOM 129 C LEU A 9 -6.139 -6.110 -9.742 1.00 0.00 C ATOM 130 O LEU A 9 -5.233 -6.924 -9.969 1.00 0.00 O ATOM 131 CB LEU A 9 -6.920 -6.222 -7.274 1.00 0.00 C ATOM 132 CG LEU A 9 -6.310 -7.629 -6.971 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.790 -7.557 -6.713 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.044 -8.300 -5.784 1.00 0.00 C ATOM 0 H LEU A 9 -7.784 -4.019 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.184 -5.190 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.923 -5.648 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.961 -6.361 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.455 -8.245 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.408 -8.557 -6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.290 -7.152 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.597 -6.911 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.604 -9.278 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.946 -7.675 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.099 -8.419 -6.029 1.00 0.00 H new ATOM 146 N GLU A 10 -7.064 -5.781 -10.654 1.00 0.00 N ATOM 147 CA GLU A 10 -7.138 -6.384 -12.012 1.00 0.00 C ATOM 148 C GLU A 10 -6.067 -5.804 -12.969 1.00 0.00 C ATOM 149 O GLU A 10 -5.785 -6.391 -14.020 1.00 0.00 O ATOM 150 CB GLU A 10 -8.556 -6.150 -12.599 1.00 0.00 C ATOM 151 CG GLU A 10 -8.920 -4.662 -12.832 1.00 0.00 C ATOM 152 CD GLU A 10 -10.410 -4.445 -13.139 1.00 0.00 C ATOM 153 OE1 GLU A 10 -10.825 -4.689 -14.291 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.177 -4.052 -12.226 1.00 0.00 O ATOM 0 H GLU A 10 -7.790 -5.086 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.940 -7.452 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.635 -6.682 -13.547 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.291 -6.589 -11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.650 -4.086 -11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.325 -4.274 -13.659 1.00 0.00 H new ATOM 161 N GLU A 11 -5.475 -4.661 -12.594 1.00 0.00 N ATOM 162 CA GLU A 11 -4.541 -3.901 -13.459 1.00 0.00 C ATOM 163 C GLU A 11 -3.216 -3.597 -12.735 1.00 0.00 C ATOM 164 O GLU A 11 -2.318 -2.976 -13.325 1.00 0.00 O ATOM 165 CB GLU A 11 -5.218 -2.575 -13.888 1.00 0.00 C ATOM 166 CG GLU A 11 -5.630 -1.676 -12.702 1.00 0.00 C ATOM 167 CD GLU A 11 -6.300 -0.358 -13.099 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.463 -0.392 -13.552 1.00 0.00 O ATOM 169 OE2 GLU A 11 -5.690 0.722 -12.914 1.00 0.00 O ATOM 0 H GLU A 11 -5.626 -4.231 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.308 -4.509 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.536 -2.021 -14.532 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.102 -2.805 -14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.311 -2.235 -12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.744 -1.453 -12.108 1.00 0.00 H new ATOM 176 N VAL A 12 -3.093 -4.025 -11.464 1.00 0.00 N ATOM 177 CA VAL A 12 -1.932 -3.679 -10.626 1.00 0.00 C ATOM 178 C VAL A 12 -0.713 -4.558 -10.970 1.00 0.00 C ATOM 179 O VAL A 12 -0.855 -5.717 -11.376 1.00 0.00 O ATOM 180 CB VAL A 12 -2.264 -3.778 -9.087 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.499 -5.232 -8.629 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.182 -3.081 -8.224 1.00 0.00 C ATOM 0 H VAL A 12 -3.784 -4.611 -10.996 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.683 -2.641 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.202 -3.244 -8.936 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.724 -5.246 -7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.337 -5.657 -9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.603 -5.823 -8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.445 -3.170 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.216 -3.555 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.123 -2.027 -8.496 1.00 0.00 H new ATOM 192 N ASN A 13 0.479 -3.965 -10.839 1.00 0.00 N ATOM 193 CA ASN A 13 1.762 -4.661 -10.963 1.00 0.00 C ATOM 194 C ASN A 13 2.582 -4.330 -9.713 1.00 0.00 C ATOM 195 O ASN A 13 3.292 -3.328 -9.694 1.00 0.00 O ATOM 196 CB ASN A 13 2.509 -4.215 -12.259 1.00 0.00 C ATOM 197 CG ASN A 13 1.700 -4.440 -13.543 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.765 -5.504 -14.153 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.934 -3.438 -13.966 1.00 0.00 N ATOM 0 H ASN A 13 0.579 -2.970 -10.640 1.00 0.00 H new ATOM 0 HA ASN A 13 1.610 -5.737 -11.041 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.759 -3.157 -12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.450 -4.761 -12.332 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.381 -3.543 -14.817 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.899 -2.565 -13.439 1.00 0.00 H new ATOM 206 N PHE A 14 2.430 -5.143 -8.648 1.00 0.00 N ATOM 207 CA PHE A 14 3.066 -4.875 -7.334 1.00 0.00 C ATOM 208 C PHE A 14 4.597 -4.762 -7.459 1.00 0.00 C ATOM 209 O PHE A 14 5.210 -3.877 -6.862 1.00 0.00 O ATOM 210 CB PHE A 14 2.685 -5.964 -6.290 1.00 0.00 C ATOM 211 CG PHE A 14 1.213 -5.948 -5.880 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.660 -4.806 -5.312 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.393 -7.064 -6.042 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.664 -4.775 -4.925 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.934 -7.031 -5.654 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.460 -5.885 -5.096 1.00 0.00 C ATOM 0 H PHE A 14 1.870 -5.995 -8.669 1.00 0.00 H new ATOM 0 HA PHE A 14 2.685 -3.916 -6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.926 -6.945 -6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.300 -5.830 -5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.276 -3.930 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.799 -7.966 -6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.077 -3.878 -4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.558 -7.902 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.496 -5.858 -4.793 1.00 0.00 H new ATOM 226 N ASN A 15 5.187 -5.622 -8.296 1.00 0.00 N ATOM 227 CA ASN A 15 6.653 -5.661 -8.503 1.00 0.00 C ATOM 228 C ASN A 15 7.169 -4.432 -9.299 1.00 0.00 C ATOM 229 O ASN A 15 8.378 -4.203 -9.365 1.00 0.00 O ATOM 230 CB ASN A 15 7.063 -6.986 -9.196 1.00 0.00 C ATOM 231 CG ASN A 15 6.641 -8.235 -8.408 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.562 -8.217 -7.176 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.379 -9.333 -9.104 1.00 0.00 N ATOM 0 H ASN A 15 4.674 -6.309 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 15 7.124 -5.617 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.616 -7.023 -10.190 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.144 -6.998 -9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.105 -10.189 -8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.452 -9.321 -10.121 1.00 0.00 H new ATOM 240 N ASP A 16 6.240 -3.648 -9.886 1.00 0.00 N ATOM 241 CA ASP A 16 6.567 -2.394 -10.612 1.00 0.00 C ATOM 242 C ASP A 16 6.856 -1.253 -9.625 1.00 0.00 C ATOM 243 O ASP A 16 7.672 -0.368 -9.907 1.00 0.00 O ATOM 244 CB ASP A 16 5.401 -1.985 -11.573 1.00 0.00 C ATOM 245 CG ASP A 16 5.720 -0.792 -12.502 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.787 -0.803 -13.147 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.907 0.155 -12.602 1.00 0.00 O ATOM 0 H ASP A 16 5.243 -3.863 -9.872 1.00 0.00 H new ATOM 0 HA ASP A 16 7.461 -2.578 -11.208 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.135 -2.846 -12.187 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.524 -1.738 -10.974 1.00 0.00 H new ATOM 252 N PHE A 17 6.182 -1.281 -8.461 1.00 0.00 N ATOM 253 CA PHE A 17 6.277 -0.205 -7.452 1.00 0.00 C ATOM 254 C PHE A 17 6.976 -0.732 -6.182 1.00 0.00 C ATOM 255 O PHE A 17 7.055 -1.947 -5.954 1.00 0.00 O ATOM 256 CB PHE A 17 4.860 0.345 -7.069 1.00 0.00 C ATOM 257 CG PHE A 17 3.817 0.325 -8.194 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.858 1.251 -9.221 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.804 -0.633 -8.220 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.928 1.232 -10.239 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.871 -0.653 -9.239 1.00 0.00 C ATOM 262 CZ PHE A 17 1.937 0.276 -10.250 1.00 0.00 C ATOM 0 H PHE A 17 5.560 -2.043 -8.192 1.00 0.00 H new ATOM 0 HA PHE A 17 6.859 0.607 -7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.477 -0.239 -6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.970 1.371 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.633 2.003 -9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.748 -1.370 -7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.977 1.968 -11.028 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.090 -1.399 -9.241 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.213 0.256 -11.051 1.00 0.00 H new ATOM 272 N ILE A 18 7.504 0.199 -5.382 1.00 0.00 N ATOM 273 CA ILE A 18 7.867 -0.050 -3.983 1.00 0.00 C ATOM 274 C ILE A 18 6.562 -0.047 -3.177 1.00 0.00 C ATOM 275 O ILE A 18 5.989 1.019 -2.924 1.00 0.00 O ATOM 276 CB ILE A 18 8.834 1.065 -3.434 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.110 1.184 -4.330 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.209 0.803 -1.953 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.033 2.330 -3.965 1.00 0.00 C ATOM 0 H ILE A 18 7.693 1.153 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 18 8.391 -1.002 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 18 8.306 2.018 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.669 0.251 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.799 1.302 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.877 1.589 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.305 0.797 -1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.709 -0.162 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.890 2.335 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.495 3.274 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.379 2.206 -2.939 1.00 0.00 H new ATOM 291 N VAL A 19 6.070 -1.233 -2.805 1.00 0.00 N ATOM 292 CA VAL A 19 4.744 -1.358 -2.192 1.00 0.00 C ATOM 293 C VAL A 19 4.862 -1.065 -0.689 1.00 0.00 C ATOM 294 O VAL A 19 5.942 -1.201 -0.106 1.00 0.00 O ATOM 295 CB VAL A 19 4.116 -2.784 -2.465 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.626 -2.848 -2.076 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.296 -3.197 -3.940 1.00 0.00 C ATOM 0 H VAL A 19 6.567 -2.116 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 19 4.066 -0.633 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 19 4.655 -3.489 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.239 -3.846 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.517 -2.628 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.066 -2.115 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.855 -4.181 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.802 -2.470 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.358 -3.232 -4.181 1.00 0.00 H new ATOM 307 N VAL A 20 3.759 -0.612 -0.090 1.00 0.00 N ATOM 308 CA VAL A 20 3.641 -0.314 1.346 1.00 0.00 C ATOM 309 C VAL A 20 2.295 -0.852 1.820 1.00 0.00 C ATOM 310 O VAL A 20 1.266 -0.570 1.201 1.00 0.00 O ATOM 311 CB VAL A 20 3.734 1.239 1.643 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.362 1.587 3.108 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.134 1.799 1.298 1.00 0.00 C ATOM 0 H VAL A 20 2.895 -0.436 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 20 4.467 -0.787 1.877 1.00 0.00 H new ATOM 0 HB VAL A 20 2.999 1.717 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.442 2.664 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.339 1.268 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.043 1.074 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.162 2.867 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.888 1.288 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.340 1.637 0.240 1.00 0.00 H new ATOM 323 N ASP A 21 2.300 -1.646 2.896 1.00 0.00 N ATOM 324 CA ASP A 21 1.061 -2.111 3.521 1.00 0.00 C ATOM 325 C ASP A 21 0.671 -1.091 4.595 1.00 0.00 C ATOM 326 O ASP A 21 1.332 -1.016 5.633 1.00 0.00 O ATOM 327 CB ASP A 21 1.226 -3.534 4.139 1.00 0.00 C ATOM 328 CG ASP A 21 -0.116 -4.291 4.248 1.00 0.00 C ATOM 329 OD1 ASP A 21 -1.150 -3.669 4.540 1.00 0.00 O ATOM 330 OD2 ASP A 21 -0.148 -5.504 3.950 1.00 0.00 O ATOM 0 H ASP A 21 3.150 -1.979 3.351 1.00 0.00 H new ATOM 0 HA ASP A 21 0.277 -2.191 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.918 -4.114 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.672 -3.447 5.130 1.00 0.00 H new ATOM 335 N VAL A 22 -0.370 -0.285 4.316 1.00 0.00 N ATOM 336 CA VAL A 22 -0.842 0.755 5.253 1.00 0.00 C ATOM 337 C VAL A 22 -1.920 0.179 6.196 1.00 0.00 C ATOM 338 O VAL A 22 -3.125 0.408 6.015 1.00 0.00 O ATOM 339 CB VAL A 22 -1.353 2.039 4.477 1.00 0.00 C ATOM 340 CG1 VAL A 22 -0.156 2.849 3.922 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.328 1.657 3.333 1.00 0.00 C ATOM 0 H VAL A 22 -0.902 -0.333 3.447 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.001 1.075 5.868 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.899 2.662 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.525 3.727 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.483 3.165 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.418 2.226 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.660 2.560 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.819 1.004 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.191 1.138 3.749 1.00 0.00 H new ATOM 351 N ARG A 23 -1.466 -0.557 7.239 1.00 0.00 N ATOM 352 CA ARG A 23 -2.363 -1.213 8.223 1.00 0.00 C ATOM 353 C ARG A 23 -1.668 -1.365 9.611 1.00 0.00 C ATOM 354 O ARG A 23 -1.596 -0.389 10.368 1.00 0.00 O ATOM 355 CB ARG A 23 -2.904 -2.596 7.719 1.00 0.00 C ATOM 356 CG ARG A 23 -3.886 -2.561 6.524 1.00 0.00 C ATOM 357 CD ARG A 23 -4.491 -3.938 6.195 1.00 0.00 C ATOM 358 NE ARG A 23 -3.486 -4.926 5.774 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.709 -6.225 5.542 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.893 -6.778 5.819 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.712 -6.978 5.105 1.00 0.00 N ATOM 0 H ARG A 23 -0.475 -0.712 7.422 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.225 -0.556 8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.051 -3.215 7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.400 -3.093 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.692 -1.861 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.365 -2.181 5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.017 -4.315 7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.232 -3.823 5.404 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.531 -4.590 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.642 -6.209 6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.048 -7.770 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.792 -6.566 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.864 -7.970 4.923 1.00 0.00 H new ATOM 375 N GLU A 24 -1.126 -2.579 9.924 1.00 0.00 N ATOM 376 CA GLU A 24 -0.759 -2.994 11.321 1.00 0.00 C ATOM 377 C GLU A 24 0.334 -4.085 11.326 1.00 0.00 C ATOM 378 O GLU A 24 0.475 -4.836 10.368 1.00 0.00 O ATOM 379 CB GLU A 24 -2.021 -3.549 12.073 1.00 0.00 C ATOM 380 CG GLU A 24 -2.995 -2.480 12.615 1.00 0.00 C ATOM 381 CD GLU A 24 -4.334 -3.058 13.097 1.00 0.00 C ATOM 382 OE1 GLU A 24 -4.335 -3.903 14.026 1.00 0.00 O ATOM 383 OE2 GLU A 24 -5.390 -2.686 12.542 1.00 0.00 O ATOM 0 H GLU A 24 -0.931 -3.295 9.224 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.375 -2.108 11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.568 -4.203 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.684 -4.165 12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.519 -1.951 13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.186 -1.745 11.833 1.00 0.00 H new ATOM 390 N LEU A 25 1.072 -4.199 12.444 1.00 0.00 N ATOM 391 CA LEU A 25 2.038 -5.298 12.648 1.00 0.00 C ATOM 392 C LEU A 25 1.306 -6.658 12.681 1.00 0.00 C ATOM 393 O LEU A 25 1.838 -7.654 12.201 1.00 0.00 O ATOM 394 CB LEU A 25 2.864 -5.081 13.950 1.00 0.00 C ATOM 395 CG LEU A 25 3.881 -6.216 14.332 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.899 -6.492 13.197 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.604 -5.889 15.660 1.00 0.00 C ATOM 0 H LEU A 25 1.019 -3.543 13.223 1.00 0.00 H new ATOM 0 HA LEU A 25 2.734 -5.301 11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.417 -4.147 13.852 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.168 -4.954 14.779 1.00 0.00 H new ATOM 0 HG LEU A 25 3.304 -7.130 14.474 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.582 -7.284 13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.366 -6.802 12.298 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.466 -5.585 12.988 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.302 -6.691 15.901 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.150 -4.951 15.556 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.870 -5.794 16.460 1.00 0.00 H new ATOM 409 N ASP A 26 0.073 -6.653 13.223 1.00 0.00 N ATOM 410 CA ASP A 26 -0.798 -7.847 13.307 1.00 0.00 C ATOM 411 C ASP A 26 -0.941 -8.543 11.940 1.00 0.00 C ATOM 412 O ASP A 26 -0.626 -9.739 11.801 1.00 0.00 O ATOM 413 CB ASP A 26 -2.193 -7.440 13.852 1.00 0.00 C ATOM 414 CG ASP A 26 -3.232 -8.580 13.819 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.128 -9.518 14.640 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.151 -8.545 12.966 1.00 0.00 O ATOM 0 H ASP A 26 -0.352 -5.815 13.619 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.333 -8.558 13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.084 -7.090 14.879 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.570 -6.601 13.268 1.00 0.00 H new ATOM 421 N GLU A 27 -1.388 -7.764 10.934 1.00 0.00 N ATOM 422 CA GLU A 27 -1.613 -8.282 9.583 1.00 0.00 C ATOM 423 C GLU A 27 -0.288 -8.673 8.929 1.00 0.00 C ATOM 424 O GLU A 27 -0.232 -9.671 8.249 1.00 0.00 O ATOM 425 CB GLU A 27 -2.437 -7.288 8.719 1.00 0.00 C ATOM 426 CG GLU A 27 -1.869 -5.854 8.583 1.00 0.00 C ATOM 427 CD GLU A 27 -0.708 -5.632 7.565 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.441 -6.511 6.720 1.00 0.00 O ATOM 429 OE2 GLU A 27 -0.084 -4.549 7.605 1.00 0.00 O ATOM 0 H GLU A 27 -1.599 -6.772 11.040 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.215 -9.188 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.541 -7.710 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.439 -7.219 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.690 -5.192 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.520 -5.536 9.565 1.00 0.00 H new ATOM 436 N TYR A 28 0.782 -7.895 9.185 1.00 0.00 N ATOM 437 CA TYR A 28 2.134 -8.176 8.651 1.00 0.00 C ATOM 438 C TYR A 28 2.593 -9.602 9.027 1.00 0.00 C ATOM 439 O TYR A 28 3.183 -10.322 8.209 1.00 0.00 O ATOM 440 CB TYR A 28 3.122 -7.110 9.191 1.00 0.00 C ATOM 441 CG TYR A 28 4.597 -7.311 8.790 1.00 0.00 C ATOM 442 CD1 TYR A 28 5.092 -6.805 7.591 1.00 0.00 C ATOM 443 CD2 TYR A 28 5.491 -8.009 9.613 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.411 -6.987 7.227 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.805 -8.195 9.248 1.00 0.00 C ATOM 446 CZ TYR A 28 7.261 -7.685 8.058 1.00 0.00 C ATOM 447 OH TYR A 28 8.571 -7.880 7.689 1.00 0.00 O ATOM 0 H TYR A 28 0.737 -7.057 9.765 1.00 0.00 H new ATOM 0 HA TYR A 28 2.110 -8.123 7.563 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.799 -6.130 8.841 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.058 -7.098 10.279 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.431 -6.260 6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.142 -8.409 10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.776 -6.584 6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.475 -8.741 9.896 1.00 0.00 H new ATOM 0 HH TYR A 28 9.035 -8.390 8.386 1.00 0.00 H new ATOM 457 N GLU A 29 2.278 -9.991 10.270 1.00 0.00 N ATOM 458 CA GLU A 29 2.650 -11.291 10.833 1.00 0.00 C ATOM 459 C GLU A 29 1.869 -12.443 10.165 1.00 0.00 C ATOM 460 O GLU A 29 2.445 -13.489 9.845 1.00 0.00 O ATOM 461 CB GLU A 29 2.413 -11.279 12.370 1.00 0.00 C ATOM 462 CG GLU A 29 3.269 -10.258 13.157 1.00 0.00 C ATOM 463 CD GLU A 29 4.782 -10.550 13.149 1.00 0.00 C ATOM 464 OE1 GLU A 29 5.500 -10.078 12.241 1.00 0.00 O ATOM 465 OE2 GLU A 29 5.265 -11.249 14.066 1.00 0.00 O ATOM 0 H GLU A 29 1.752 -9.404 10.918 1.00 0.00 H new ATOM 0 HA GLU A 29 3.708 -11.464 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.360 -11.069 12.558 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.614 -12.276 12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.101 -9.265 12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.922 -10.233 14.190 1.00 0.00 H new ATOM 472 N GLU A 30 0.549 -12.249 9.953 1.00 0.00 N ATOM 473 CA GLU A 30 -0.323 -13.315 9.394 1.00 0.00 C ATOM 474 C GLU A 30 -0.261 -13.384 7.845 1.00 0.00 C ATOM 475 O GLU A 30 -0.118 -14.478 7.293 1.00 0.00 O ATOM 476 CB GLU A 30 -1.782 -13.182 9.913 1.00 0.00 C ATOM 477 CG GLU A 30 -2.422 -11.799 9.747 1.00 0.00 C ATOM 478 CD GLU A 30 -3.903 -11.760 10.160 1.00 0.00 C ATOM 479 OE1 GLU A 30 -4.197 -11.555 11.358 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.787 -11.944 9.287 1.00 0.00 O ATOM 0 H GLU A 30 0.064 -11.375 10.157 1.00 0.00 H new ATOM 0 HA GLU A 30 0.068 -14.266 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.401 -13.913 9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.797 -13.445 10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.867 -11.075 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.334 -11.488 8.706 1.00 0.00 H new ATOM 487 N LEU A 31 -0.355 -12.225 7.151 1.00 0.00 N ATOM 488 CA LEU A 31 -0.299 -12.167 5.663 1.00 0.00 C ATOM 489 C LEU A 31 -0.093 -10.733 5.116 1.00 0.00 C ATOM 490 O LEU A 31 -0.656 -9.765 5.634 1.00 0.00 O ATOM 491 CB LEU A 31 -1.556 -12.846 5.012 1.00 0.00 C ATOM 492 CG LEU A 31 -2.959 -12.101 4.960 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.304 -11.301 6.236 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.129 -11.227 3.695 1.00 0.00 C ATOM 0 H LEU A 31 -0.470 -11.314 7.595 1.00 0.00 H new ATOM 0 HA LEU A 31 0.584 -12.736 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.288 -13.093 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.715 -13.789 5.535 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.685 -12.912 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.277 -10.825 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.334 -11.976 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.545 -10.537 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.106 -10.744 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.348 -10.467 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.053 -11.854 2.807 1.00 0.00 H new ATOM 506 N HIS A 32 0.686 -10.634 4.026 1.00 0.00 N ATOM 507 CA HIS A 32 0.897 -9.375 3.277 1.00 0.00 C ATOM 508 C HIS A 32 1.726 -9.680 2.010 1.00 0.00 C ATOM 509 O HIS A 32 1.899 -10.848 1.649 1.00 0.00 O ATOM 510 CB HIS A 32 1.572 -8.267 4.162 1.00 0.00 C ATOM 511 CG HIS A 32 2.985 -8.554 4.576 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.333 -9.617 5.371 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.144 -7.929 4.267 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.636 -9.636 5.518 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.151 -8.628 4.859 1.00 0.00 N ATOM 0 H HIS A 32 1.192 -11.428 3.634 1.00 0.00 H new ATOM 0 HA HIS A 32 -0.072 -8.972 2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.555 -7.326 3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.969 -8.124 5.059 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.251 -7.040 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.193 -10.364 6.089 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.144 -8.403 4.799 1.00 0.00 H new ATOM 524 N LEU A 33 2.196 -8.633 1.317 1.00 0.00 N ATOM 525 CA LEU A 33 3.086 -8.778 0.142 1.00 0.00 C ATOM 526 C LEU A 33 4.561 -8.701 0.574 1.00 0.00 C ATOM 527 O LEU A 33 4.891 -7.903 1.445 1.00 0.00 O ATOM 528 CB LEU A 33 2.784 -7.659 -0.875 1.00 0.00 C ATOM 529 CG LEU A 33 1.372 -7.714 -1.515 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.995 -6.354 -2.124 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.272 -8.841 -2.573 1.00 0.00 C ATOM 0 H LEU A 33 1.975 -7.664 1.548 1.00 0.00 H new ATOM 0 HA LEU A 33 2.906 -9.749 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.903 -6.696 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.528 -7.702 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 33 0.659 -7.943 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.001 -6.417 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.997 -5.593 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.719 -6.087 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.269 -8.851 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.002 -8.664 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.474 -9.802 -2.101 1.00 0.00 H new ATOM 543 N PRO A 34 5.479 -9.485 -0.063 1.00 0.00 N ATOM 544 CA PRO A 34 6.920 -9.469 0.293 1.00 0.00 C ATOM 545 C PRO A 34 7.601 -8.137 -0.134 1.00 0.00 C ATOM 546 O PRO A 34 8.655 -7.772 0.393 1.00 0.00 O ATOM 547 CB PRO A 34 7.483 -10.698 -0.474 1.00 0.00 C ATOM 548 CG PRO A 34 6.575 -10.852 -1.655 1.00 0.00 C ATOM 549 CD PRO A 34 5.197 -10.423 -1.186 1.00 0.00 C ATOM 0 HA PRO A 34 7.102 -9.527 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.514 -10.533 -0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.478 -11.592 0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.912 -10.236 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.563 -11.884 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.637 -9.935 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.604 -11.276 -0.856 1.00 0.00 H new ATOM 557 N ASN A 35 6.950 -7.416 -1.079 1.00 0.00 N ATOM 558 CA ASN A 35 7.410 -6.100 -1.584 1.00 0.00 C ATOM 559 C ASN A 35 6.760 -4.940 -0.793 1.00 0.00 C ATOM 560 O ASN A 35 7.013 -3.762 -1.106 1.00 0.00 O ATOM 561 CB ASN A 35 7.051 -5.964 -3.093 1.00 0.00 C ATOM 562 CG ASN A 35 7.637 -7.085 -3.956 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.745 -6.971 -4.486 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.898 -8.181 -4.099 1.00 0.00 N ATOM 0 H ASN A 35 6.085 -7.734 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 35 8.491 -6.043 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.967 -5.959 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.413 -5.004 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.243 -8.959 -4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.986 -8.243 -3.647 1.00 0.00 H new ATOM 571 N ALA A 36 5.913 -5.277 0.214 1.00 0.00 N ATOM 572 CA ALA A 36 5.149 -4.286 1.000 1.00 0.00 C ATOM 573 C ALA A 36 5.901 -3.891 2.274 1.00 0.00 C ATOM 574 O ALA A 36 6.208 -4.751 3.109 1.00 0.00 O ATOM 575 CB ALA A 36 3.747 -4.816 1.348 1.00 0.00 C ATOM 0 H ALA A 36 5.744 -6.242 0.499 1.00 0.00 H new ATOM 0 HA ALA A 36 5.035 -3.396 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.208 -4.066 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.200 -5.028 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.839 -5.730 1.935 1.00 0.00 H new ATOM 581 N THR A 37 6.176 -2.585 2.410 1.00 0.00 N ATOM 582 CA THR A 37 6.806 -1.988 3.587 1.00 0.00 C ATOM 583 C THR A 37 5.732 -1.757 4.656 1.00 0.00 C ATOM 584 O THR A 37 4.735 -1.082 4.388 1.00 0.00 O ATOM 585 CB THR A 37 7.482 -0.626 3.208 1.00 0.00 C ATOM 586 OG1 THR A 37 8.378 -0.819 2.100 1.00 0.00 O ATOM 587 CG2 THR A 37 8.250 0.009 4.392 1.00 0.00 C ATOM 0 H THR A 37 5.959 -1.902 1.684 1.00 0.00 H new ATOM 0 HA THR A 37 7.574 -2.659 3.970 1.00 0.00 H new ATOM 0 HB THR A 37 6.683 0.063 2.933 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.748 0.046 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.698 0.950 4.072 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.560 0.196 5.215 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.034 -0.672 4.724 1.00 0.00 H new ATOM 595 N LEU A 38 5.923 -2.334 5.848 1.00 0.00 N ATOM 596 CA LEU A 38 4.978 -2.188 6.952 1.00 0.00 C ATOM 597 C LEU A 38 4.996 -0.747 7.497 1.00 0.00 C ATOM 598 O LEU A 38 5.972 -0.318 8.134 1.00 0.00 O ATOM 599 CB LEU A 38 5.289 -3.181 8.090 1.00 0.00 C ATOM 600 CG LEU A 38 4.366 -3.058 9.341 1.00 0.00 C ATOM 601 CD1 LEU A 38 2.880 -3.259 8.962 1.00 0.00 C ATOM 602 CD2 LEU A 38 4.802 -4.026 10.454 1.00 0.00 C ATOM 0 H LEU A 38 6.734 -2.912 6.070 1.00 0.00 H new ATOM 0 HA LEU A 38 3.984 -2.409 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.212 -4.195 7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.323 -3.038 8.404 1.00 0.00 H new ATOM 0 HG LEU A 38 4.469 -2.046 9.732 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.261 -3.168 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.584 -2.502 8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.746 -4.250 8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.139 -3.916 11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.752 -5.051 10.085 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.825 -3.798 10.754 1.00 0.00 H new ATOM 614 N ILE A 39 3.923 -0.006 7.203 1.00 0.00 N ATOM 615 CA ILE A 39 3.657 1.321 7.774 1.00 0.00 C ATOM 616 C ILE A 39 2.193 1.360 8.224 1.00 0.00 C ATOM 617 O ILE A 39 1.312 0.864 7.530 1.00 0.00 O ATOM 618 CB ILE A 39 3.961 2.490 6.750 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.481 2.495 6.363 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.526 3.873 7.310 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.896 3.506 5.309 1.00 0.00 C ATOM 0 H ILE A 39 3.202 -0.315 6.551 1.00 0.00 H new ATOM 0 HA ILE A 39 4.323 1.481 8.622 1.00 0.00 H new ATOM 0 HB ILE A 39 3.373 2.307 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.065 2.680 7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.749 1.500 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.751 4.649 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.455 3.864 7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.067 4.078 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.966 3.418 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.350 3.314 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.670 4.512 5.661 1.00 0.00 H new ATOM 633 N SER A 40 1.941 1.925 9.400 1.00 0.00 N ATOM 634 CA SER A 40 0.585 2.114 9.900 1.00 0.00 C ATOM 635 C SER A 40 -0.059 3.312 9.171 1.00 0.00 C ATOM 636 O SER A 40 0.570 4.374 9.074 1.00 0.00 O ATOM 637 CB SER A 40 0.628 2.335 11.422 1.00 0.00 C ATOM 638 OG SER A 40 1.258 1.245 12.079 1.00 0.00 O ATOM 0 H SER A 40 2.668 2.263 10.031 1.00 0.00 H new ATOM 0 HA SER A 40 -0.021 1.229 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.165 3.257 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.386 2.457 11.804 1.00 0.00 H new ATOM 0 HG SER A 40 1.274 1.410 13.045 1.00 0.00 H new ATOM 644 N VAL A 41 -1.289 3.115 8.631 1.00 0.00 N ATOM 645 CA VAL A 41 -2.063 4.179 7.936 1.00 0.00 C ATOM 646 C VAL A 41 -2.184 5.459 8.791 1.00 0.00 C ATOM 647 O VAL A 41 -2.116 6.566 8.260 1.00 0.00 O ATOM 648 CB VAL A 41 -3.502 3.673 7.492 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.283 3.042 8.669 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.343 4.798 6.816 1.00 0.00 C ATOM 0 H VAL A 41 -1.772 2.217 8.664 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.500 4.427 7.036 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.332 2.896 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.261 2.710 8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.728 2.189 9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.412 3.782 9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.318 4.402 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.477 5.623 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.823 5.157 5.928 1.00 0.00 H new ATOM 660 N ASN A 42 -2.285 5.279 10.122 1.00 0.00 N ATOM 661 CA ASN A 42 -2.491 6.361 11.079 1.00 0.00 C ATOM 662 C ASN A 42 -1.206 7.201 11.260 1.00 0.00 C ATOM 663 O ASN A 42 -1.274 8.400 11.569 1.00 0.00 O ATOM 664 CB ASN A 42 -2.975 5.716 12.409 1.00 0.00 C ATOM 665 CG ASN A 42 -2.695 6.545 13.659 1.00 0.00 C ATOM 666 OD1 ASN A 42 -3.503 7.372 14.088 1.00 0.00 O ATOM 667 ND2 ASN A 42 -1.528 6.314 14.238 1.00 0.00 N ATOM 0 H ASN A 42 -2.224 4.360 10.560 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.245 7.060 10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.048 5.538 12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.496 4.743 12.520 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.264 6.831 15.077 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.893 5.619 13.846 1.00 0.00 H new ATOM 674 N ASP A 43 -0.044 6.563 11.046 1.00 0.00 N ATOM 675 CA ASP A 43 1.269 7.195 11.231 1.00 0.00 C ATOM 676 C ASP A 43 1.695 7.918 9.948 1.00 0.00 C ATOM 677 O ASP A 43 2.373 7.351 9.080 1.00 0.00 O ATOM 678 CB ASP A 43 2.324 6.145 11.682 1.00 0.00 C ATOM 679 CG ASP A 43 2.080 5.626 13.109 1.00 0.00 C ATOM 680 OD1 ASP A 43 1.040 4.977 13.338 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.930 5.851 14.003 1.00 0.00 O ATOM 0 H ASP A 43 0.010 5.592 10.739 1.00 0.00 H new ATOM 0 HA ASP A 43 1.196 7.941 12.023 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.312 5.304 10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.318 6.589 11.627 1.00 0.00 H new ATOM 686 N GLN A 44 1.245 9.183 9.834 1.00 0.00 N ATOM 687 CA GLN A 44 1.684 10.114 8.778 1.00 0.00 C ATOM 688 C GLN A 44 3.193 10.388 8.911 1.00 0.00 C ATOM 689 O GLN A 44 3.875 10.589 7.915 1.00 0.00 O ATOM 690 CB GLN A 44 0.884 11.459 8.844 1.00 0.00 C ATOM 691 CG GLN A 44 -0.554 11.415 8.285 1.00 0.00 C ATOM 692 CD GLN A 44 -1.496 10.477 9.040 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.143 10.868 10.011 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.595 9.241 8.595 1.00 0.00 N ATOM 0 H GLN A 44 0.564 9.589 10.475 1.00 0.00 H new ATOM 0 HA GLN A 44 1.487 9.650 7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.839 11.782 9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.443 12.219 8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.970 12.422 8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.515 11.108 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.047 8.944 7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.220 8.581 9.058 1.00 0.00 H new ATOM 703 N GLU A 45 3.681 10.391 10.163 1.00 0.00 N ATOM 704 CA GLU A 45 5.099 10.617 10.493 1.00 0.00 C ATOM 705 C GLU A 45 6.012 9.554 9.842 1.00 0.00 C ATOM 706 O GLU A 45 7.032 9.888 9.243 1.00 0.00 O ATOM 707 CB GLU A 45 5.281 10.644 12.039 1.00 0.00 C ATOM 708 CG GLU A 45 4.778 9.379 12.776 1.00 0.00 C ATOM 709 CD GLU A 45 4.855 9.487 14.304 1.00 0.00 C ATOM 710 OE1 GLU A 45 3.991 10.172 14.898 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.781 8.908 14.919 1.00 0.00 O ATOM 0 H GLU A 45 3.096 10.235 10.984 1.00 0.00 H new ATOM 0 HA GLU A 45 5.397 11.583 10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.339 10.781 12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.755 11.512 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.745 9.186 12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.366 8.521 12.451 1.00 0.00 H new ATOM 718 N LYS A 46 5.587 8.280 9.926 1.00 0.00 N ATOM 719 CA LYS A 46 6.353 7.127 9.418 1.00 0.00 C ATOM 720 C LYS A 46 6.244 7.039 7.887 1.00 0.00 C ATOM 721 O LYS A 46 7.222 6.732 7.192 1.00 0.00 O ATOM 722 CB LYS A 46 5.836 5.818 10.079 1.00 0.00 C ATOM 723 CG LYS A 46 6.516 4.480 9.643 1.00 0.00 C ATOM 724 CD LYS A 46 8.009 4.336 10.063 1.00 0.00 C ATOM 725 CE LYS A 46 9.007 4.945 9.059 1.00 0.00 C ATOM 726 NZ LYS A 46 10.397 4.966 9.582 1.00 0.00 N ATOM 0 H LYS A 46 4.697 8.020 10.351 1.00 0.00 H new ATOM 0 HA LYS A 46 7.404 7.260 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.948 5.918 11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.768 5.736 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.953 3.648 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.449 4.392 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.150 4.812 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.239 3.278 10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.980 4.373 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.698 5.962 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.915 5.764 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.377 5.074 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.874 4.075 9.336 1.00 0.00 H new ATOM 740 N LEU A 47 5.042 7.319 7.375 1.00 0.00 N ATOM 741 CA LEU A 47 4.744 7.216 5.943 1.00 0.00 C ATOM 742 C LEU A 47 5.509 8.288 5.149 1.00 0.00 C ATOM 743 O LEU A 47 6.243 7.975 4.205 1.00 0.00 O ATOM 744 CB LEU A 47 3.219 7.335 5.734 1.00 0.00 C ATOM 745 CG LEU A 47 2.682 6.947 4.325 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.197 5.562 3.864 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.142 6.980 4.325 1.00 0.00 C ATOM 0 H LEU A 47 4.249 7.623 7.940 1.00 0.00 H new ATOM 0 HA LEU A 47 5.074 6.246 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.723 6.707 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.925 8.364 5.940 1.00 0.00 H new ATOM 0 HG LEU A 47 3.060 7.680 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.796 5.335 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.286 5.575 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.872 4.799 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.772 6.708 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.763 6.272 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.800 7.984 4.577 1.00 0.00 H new ATOM 759 N ALA A 48 5.355 9.543 5.597 1.00 0.00 N ATOM 760 CA ALA A 48 6.021 10.713 5.009 1.00 0.00 C ATOM 761 C ALA A 48 7.541 10.617 5.145 1.00 0.00 C ATOM 762 O ALA A 48 8.260 11.093 4.270 1.00 0.00 O ATOM 763 CB ALA A 48 5.509 11.993 5.671 1.00 0.00 C ATOM 0 H ALA A 48 4.756 9.776 6.389 1.00 0.00 H new ATOM 0 HA ALA A 48 5.783 10.739 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.008 12.856 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.433 12.077 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.720 11.960 6.740 1.00 0.00 H new ATOM 769 N ASP A 49 8.013 10.003 6.253 1.00 0.00 N ATOM 770 CA ASP A 49 9.447 9.727 6.472 1.00 0.00 C ATOM 771 C ASP A 49 10.005 8.861 5.334 1.00 0.00 C ATOM 772 O ASP A 49 10.958 9.255 4.668 1.00 0.00 O ATOM 773 CB ASP A 49 9.675 9.012 7.829 1.00 0.00 C ATOM 774 CG ASP A 49 11.151 8.653 8.093 1.00 0.00 C ATOM 775 OD1 ASP A 49 11.954 9.581 8.344 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.517 7.446 8.039 1.00 0.00 O ATOM 0 H ASP A 49 7.413 9.687 7.015 1.00 0.00 H new ATOM 0 HA ASP A 49 9.972 10.682 6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.315 9.653 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.077 8.101 7.856 1.00 0.00 H new ATOM 781 N PHE A 50 9.355 7.702 5.113 1.00 0.00 N ATOM 782 CA PHE A 50 9.740 6.714 4.079 1.00 0.00 C ATOM 783 C PHE A 50 9.788 7.352 2.677 1.00 0.00 C ATOM 784 O PHE A 50 10.704 7.090 1.880 1.00 0.00 O ATOM 785 CB PHE A 50 8.735 5.530 4.098 1.00 0.00 C ATOM 786 CG PHE A 50 9.035 4.419 3.084 1.00 0.00 C ATOM 787 CD1 PHE A 50 10.100 3.541 3.293 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.263 4.255 1.929 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.388 2.544 2.382 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.554 3.254 1.020 1.00 0.00 C ATOM 791 CZ PHE A 50 9.615 2.398 1.250 1.00 0.00 C ATOM 0 H PHE A 50 8.537 7.419 5.653 1.00 0.00 H new ATOM 0 HA PHE A 50 10.742 6.349 4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.723 5.097 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.734 5.917 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.708 3.643 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.430 4.918 1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.220 1.878 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.952 3.141 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.839 1.614 0.542 1.00 0.00 H new ATOM 801 N LEU A 51 8.794 8.204 2.404 1.00 0.00 N ATOM 802 CA LEU A 51 8.671 8.910 1.123 1.00 0.00 C ATOM 803 C LEU A 51 9.749 10.001 0.984 1.00 0.00 C ATOM 804 O LEU A 51 10.264 10.225 -0.108 1.00 0.00 O ATOM 805 CB LEU A 51 7.252 9.510 0.973 1.00 0.00 C ATOM 806 CG LEU A 51 6.076 8.485 1.059 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.720 9.183 0.924 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.215 7.351 0.020 1.00 0.00 C ATOM 0 H LEU A 51 8.050 8.424 3.066 1.00 0.00 H new ATOM 0 HA LEU A 51 8.827 8.190 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.111 10.264 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.193 10.024 0.014 1.00 0.00 H new ATOM 0 HG LEU A 51 6.128 8.028 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.922 8.443 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.604 9.912 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.667 9.692 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.375 6.663 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.221 7.776 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.147 6.812 0.192 1.00 0.00 H new ATOM 820 N SER A 52 10.093 10.638 2.114 1.00 0.00 N ATOM 821 CA SER A 52 11.097 11.717 2.177 1.00 0.00 C ATOM 822 C SER A 52 12.526 11.158 2.026 1.00 0.00 C ATOM 823 O SER A 52 13.414 11.858 1.526 1.00 0.00 O ATOM 824 CB SER A 52 10.964 12.489 3.509 1.00 0.00 C ATOM 825 OG SER A 52 11.835 13.609 3.573 1.00 0.00 O ATOM 0 H SER A 52 9.679 10.418 3.020 1.00 0.00 H new ATOM 0 HA SER A 52 10.913 12.400 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.934 12.825 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.179 11.816 4.339 1.00 0.00 H new ATOM 0 HG SER A 52 11.716 14.068 4.431 1.00 0.00 H new ATOM 831 N GLN A 53 12.721 9.883 2.443 1.00 0.00 N ATOM 832 CA GLN A 53 14.036 9.190 2.393 1.00 0.00 C ATOM 833 C GLN A 53 14.599 9.100 0.956 1.00 0.00 C ATOM 834 O GLN A 53 15.800 8.881 0.774 1.00 0.00 O ATOM 835 CB GLN A 53 13.939 7.756 3.006 1.00 0.00 C ATOM 836 CG GLN A 53 13.662 7.680 4.525 1.00 0.00 C ATOM 837 CD GLN A 53 14.716 8.364 5.408 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.892 8.444 5.058 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.305 8.844 6.574 1.00 0.00 N ATOM 0 H GLN A 53 11.972 9.304 2.824 1.00 0.00 H new ATOM 0 HA GLN A 53 14.723 9.792 2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.149 7.214 2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.873 7.232 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.691 8.133 4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.591 6.632 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.324 8.765 6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.970 9.292 7.204 1.00 0.00 H new ATOM 848 N HIS A 54 13.721 9.245 -0.058 1.00 0.00 N ATOM 849 CA HIS A 54 14.111 9.163 -1.479 1.00 0.00 C ATOM 850 C HIS A 54 13.457 10.292 -2.277 1.00 0.00 C ATOM 851 O HIS A 54 14.147 11.095 -2.906 1.00 0.00 O ATOM 852 CB HIS A 54 13.711 7.783 -2.071 1.00 0.00 C ATOM 853 CG HIS A 54 14.308 6.604 -1.343 1.00 0.00 C ATOM 854 ND1 HIS A 54 15.611 6.206 -1.508 1.00 0.00 N ATOM 855 CD2 HIS A 54 13.771 5.748 -0.436 1.00 0.00 C ATOM 856 CE1 HIS A 54 15.856 5.165 -0.743 1.00 0.00 C ATOM 857 NE2 HIS A 54 14.755 4.866 -0.078 1.00 0.00 N ATOM 0 H HIS A 54 12.727 9.421 0.085 1.00 0.00 H new ATOM 0 HA HIS A 54 15.194 9.271 -1.548 1.00 0.00 H new ATOM 0 HB2 HIS A 54 12.625 7.694 -2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.019 7.745 -3.116 1.00 0.00 H new ATOM 0 HD2 HIS A 54 12.756 5.761 -0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.799 4.643 -0.671 1.00 0.00 H new ATOM 0 HE2 HIS A 54 14.654 4.104 0.592 1.00 0.00 H new ATOM 866 N LYS A 55 12.111 10.322 -2.221 1.00 0.00 N ATOM 867 CA LYS A 55 11.221 11.224 -2.997 1.00 0.00 C ATOM 868 C LYS A 55 11.160 10.859 -4.494 1.00 0.00 C ATOM 869 O LYS A 55 10.060 10.745 -5.059 1.00 0.00 O ATOM 870 CB LYS A 55 11.515 12.732 -2.769 1.00 0.00 C ATOM 871 CG LYS A 55 10.989 13.267 -1.419 1.00 0.00 C ATOM 872 CD LYS A 55 11.099 14.799 -1.293 1.00 0.00 C ATOM 873 CE LYS A 55 10.409 15.553 -2.442 1.00 0.00 C ATOM 874 NZ LYS A 55 10.573 17.021 -2.315 1.00 0.00 N ATOM 0 H LYS A 55 11.587 9.695 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 55 10.222 11.054 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.591 12.896 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.066 13.308 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.946 12.972 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.547 12.800 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.659 15.112 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.152 15.080 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.823 15.222 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.348 15.306 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.094 17.494 -3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.155 17.341 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.585 17.260 -2.330 1.00 0.00 H new ATOM 888 N ASP A 56 12.321 10.665 -5.128 1.00 0.00 N ATOM 889 CA ASP A 56 12.406 10.135 -6.493 1.00 0.00 C ATOM 890 C ASP A 56 12.316 8.594 -6.440 1.00 0.00 C ATOM 891 O ASP A 56 13.330 7.886 -6.465 1.00 0.00 O ATOM 892 CB ASP A 56 13.706 10.615 -7.194 1.00 0.00 C ATOM 893 CG ASP A 56 13.828 10.132 -8.657 1.00 0.00 C ATOM 894 OD1 ASP A 56 13.037 10.596 -9.512 1.00 0.00 O ATOM 895 OD2 ASP A 56 14.705 9.286 -8.957 1.00 0.00 O ATOM 0 H ASP A 56 13.228 10.871 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 56 11.573 10.513 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.740 11.704 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.567 10.260 -6.629 1.00 0.00 H new ATOM 900 N LYS A 57 11.078 8.112 -6.252 1.00 0.00 N ATOM 901 CA LYS A 57 10.728 6.677 -6.238 1.00 0.00 C ATOM 902 C LYS A 57 9.206 6.527 -6.481 1.00 0.00 C ATOM 903 O LYS A 57 8.420 7.442 -6.171 1.00 0.00 O ATOM 904 CB LYS A 57 11.140 5.997 -4.886 1.00 0.00 C ATOM 905 CG LYS A 57 10.191 6.245 -3.686 1.00 0.00 C ATOM 906 CD LYS A 57 10.104 7.729 -3.273 1.00 0.00 C ATOM 907 CE LYS A 57 8.841 8.075 -2.484 1.00 0.00 C ATOM 908 NZ LYS A 57 7.622 8.008 -3.340 1.00 0.00 N ATOM 0 H LYS A 57 10.272 8.719 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 57 11.280 6.174 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.213 4.922 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.136 6.347 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.193 5.887 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.533 5.657 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.978 7.981 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.143 8.349 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.735 7.387 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.937 9.076 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.159 8.939 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.891 7.736 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.964 7.302 -2.952 1.00 0.00 H new ATOM 922 N LYS A 58 8.799 5.372 -6.997 1.00 0.00 N ATOM 923 CA LYS A 58 7.392 5.051 -7.256 1.00 0.00 C ATOM 924 C LYS A 58 6.877 4.129 -6.140 1.00 0.00 C ATOM 925 O LYS A 58 7.321 2.993 -6.036 1.00 0.00 O ATOM 926 CB LYS A 58 7.282 4.383 -8.635 1.00 0.00 C ATOM 927 CG LYS A 58 5.851 4.315 -9.183 1.00 0.00 C ATOM 928 CD LYS A 58 5.826 4.027 -10.695 1.00 0.00 C ATOM 929 CE LYS A 58 6.587 2.742 -11.077 1.00 0.00 C ATOM 930 NZ LYS A 58 6.549 2.479 -12.541 1.00 0.00 N ATOM 0 H LYS A 58 9.441 4.621 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 58 6.781 5.953 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.906 4.929 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.684 3.372 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.298 3.537 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.342 5.258 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.791 3.941 -11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.262 4.872 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.624 2.826 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.154 1.894 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.505 2.245 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.910 1.682 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.206 3.326 -13.037 1.00 0.00 H new ATOM 944 N VAL A 59 5.968 4.640 -5.292 1.00 0.00 N ATOM 945 CA VAL A 59 5.432 3.895 -4.127 1.00 0.00 C ATOM 946 C VAL A 59 3.928 3.643 -4.292 1.00 0.00 C ATOM 947 O VAL A 59 3.190 4.521 -4.741 1.00 0.00 O ATOM 948 CB VAL A 59 5.722 4.651 -2.767 1.00 0.00 C ATOM 949 CG1 VAL A 59 4.985 4.022 -1.561 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.238 4.696 -2.488 1.00 0.00 C ATOM 0 H VAL A 59 5.581 5.579 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 59 5.945 2.934 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 59 5.339 5.664 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.222 4.583 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.909 4.053 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.303 2.987 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.420 5.219 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.625 3.680 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.742 5.221 -3.299 1.00 0.00 H new ATOM 960 N LEU A 60 3.504 2.427 -3.914 1.00 0.00 N ATOM 961 CA LEU A 60 2.101 1.995 -3.934 1.00 0.00 C ATOM 962 C LEU A 60 1.632 1.666 -2.508 1.00 0.00 C ATOM 963 O LEU A 60 2.099 0.696 -1.915 1.00 0.00 O ATOM 964 CB LEU A 60 1.951 0.730 -4.814 1.00 0.00 C ATOM 965 CG LEU A 60 0.509 0.153 -4.931 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.398 1.085 -5.756 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.522 -1.278 -5.503 1.00 0.00 C ATOM 0 H LEU A 60 4.141 1.704 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 60 1.494 2.803 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.311 0.963 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.602 -0.047 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 60 0.092 0.096 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.398 0.656 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.452 2.061 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.013 1.199 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.500 -1.652 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.973 -1.269 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.102 -1.927 -4.847 1.00 0.00 H new ATOM 979 N LEU A 61 0.703 2.462 -1.967 1.00 0.00 N ATOM 980 CA LEU A 61 0.094 2.183 -0.659 1.00 0.00 C ATOM 981 C LEU A 61 -1.076 1.213 -0.866 1.00 0.00 C ATOM 982 O LEU A 61 -2.163 1.625 -1.255 1.00 0.00 O ATOM 983 CB LEU A 61 -0.394 3.502 0.010 1.00 0.00 C ATOM 984 CG LEU A 61 0.623 4.689 0.022 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.065 5.890 0.801 1.00 0.00 C ATOM 986 CD2 LEU A 61 1.996 4.263 0.581 1.00 0.00 C ATOM 0 H LEU A 61 0.354 3.309 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 61 0.832 1.732 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.298 3.831 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.674 3.280 1.040 1.00 0.00 H new ATOM 0 HG LEU A 61 0.772 4.994 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.794 6.700 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.860 6.229 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.136 5.594 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.673 5.117 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.877 3.905 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.409 3.466 -0.037 1.00 0.00 H new ATOM 998 N HIS A 62 -0.838 -0.084 -0.655 1.00 0.00 N ATOM 999 CA HIS A 62 -1.887 -1.101 -0.824 1.00 0.00 C ATOM 1000 C HIS A 62 -2.623 -1.302 0.510 1.00 0.00 C ATOM 1001 O HIS A 62 -2.020 -1.187 1.593 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.296 -2.440 -1.373 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.913 -3.467 -0.331 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.800 -4.405 0.145 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.252 -3.714 0.306 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.198 -5.170 1.019 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.048 -4.777 1.135 1.00 0.00 N ATOM 0 H HIS A 62 0.067 -0.457 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.606 -0.754 -1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.026 -2.888 -2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.413 -2.208 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.176 -3.169 0.181 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.652 -5.990 1.556 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.749 -5.197 1.745 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.920 -1.613 0.418 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.785 -1.838 1.591 1.00 0.00 C ATOM 1018 C CYS A 63 -5.655 -3.085 1.399 1.00 0.00 C ATOM 1019 O CYS A 63 -5.823 -3.561 0.276 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.662 -0.606 1.850 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.762 -0.758 3.263 1.00 0.00 S ATOM 0 H CYS A 63 -4.405 -1.717 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.147 -2.002 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.016 0.259 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.259 -0.407 0.960 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.087 -1.165 4.297 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.124 -3.639 2.536 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.059 -4.787 2.597 1.00 0.00 C ATOM 1029 C ARG A 64 -8.352 -4.556 1.779 1.00 0.00 C ATOM 1030 O ARG A 64 -8.936 -5.510 1.264 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.371 -5.090 4.086 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.410 -6.200 4.351 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.444 -6.614 5.830 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.613 -7.442 6.176 1.00 0.00 N ATOM 1035 CZ ARG A 64 -9.976 -7.763 7.433 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -9.246 -7.373 8.477 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -11.068 -8.484 7.644 1.00 0.00 N ATOM 0 H ARG A 64 -5.859 -3.295 3.459 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.579 -5.650 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.440 -5.366 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.723 -4.172 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.398 -5.852 4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.177 -7.069 3.736 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.534 -7.165 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.445 -5.718 6.451 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.187 -7.797 5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.399 -6.823 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.534 -7.624 9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.634 -8.796 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.343 -8.727 8.596 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.797 -3.292 1.676 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.974 -2.924 0.861 1.00 0.00 C ATOM 1053 C ALA A 65 -9.628 -1.754 -0.076 1.00 0.00 C ATOM 1054 O ALA A 65 -9.797 -1.855 -1.296 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.174 -2.584 1.763 1.00 0.00 C ATOM 0 H ALA A 65 -8.358 -2.502 2.149 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.256 -3.778 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.030 -2.316 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.426 -3.450 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.917 -1.745 2.410 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.130 -0.647 0.504 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.727 0.533 -0.279 1.00 0.00 C ATOM 1063 C GLY A 66 -8.966 1.853 0.442 1.00 0.00 C ATOM 1064 O GLY A 66 -8.445 2.891 0.019 1.00 0.00 O ATOM 0 H GLY A 66 -8.998 -0.546 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.669 0.450 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.275 0.538 -1.221 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.776 1.814 1.519 1.00 0.00 N ATOM 1069 CA ARG A 67 -10.078 2.993 2.358 1.00 0.00 C ATOM 1070 C ARG A 67 -8.789 3.555 2.979 1.00 0.00 C ATOM 1071 O ARG A 67 -8.506 4.752 2.866 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.112 2.611 3.461 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.435 3.694 4.531 1.00 0.00 C ATOM 1074 CD ARG A 67 -12.046 4.999 3.957 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.015 5.947 3.474 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.240 7.036 2.719 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.455 7.323 2.271 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.228 7.830 2.401 1.00 0.00 N ATOM 0 H ARG A 67 -10.241 0.962 1.833 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.515 3.772 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.044 2.331 2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.745 1.724 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.128 3.273 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.519 3.941 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.719 4.750 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.647 5.483 4.726 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.048 5.756 3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.240 6.712 2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.605 8.154 1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.287 7.613 2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.390 8.658 1.828 1.00 0.00 H new ATOM 1092 N ARG A 68 -8.004 2.669 3.607 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.760 3.058 4.303 1.00 0.00 C ATOM 1094 C ARG A 68 -5.677 3.473 3.285 1.00 0.00 C ATOM 1095 O ARG A 68 -4.838 4.319 3.579 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.258 1.904 5.214 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.341 1.286 6.130 1.00 0.00 C ATOM 1098 CD ARG A 68 -8.055 2.307 7.041 1.00 0.00 C ATOM 1099 NE ARG A 68 -9.152 1.671 7.804 1.00 0.00 N ATOM 1100 CZ ARG A 68 -10.267 2.284 8.256 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -10.457 3.586 8.066 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -11.187 1.580 8.898 1.00 0.00 N ATOM 0 H ARG A 68 -8.207 1.670 3.650 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.973 3.918 4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.842 1.117 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.445 2.278 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.085 0.787 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.880 0.520 6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.336 2.747 7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.454 3.121 6.436 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.057 0.676 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.755 4.137 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.305 4.034 8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.051 0.580 9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.031 2.037 9.242 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.733 2.863 2.082 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.831 3.186 0.951 1.00 0.00 C ATOM 1118 C ALA A 69 -5.014 4.645 0.504 1.00 0.00 C ATOM 1119 O ALA A 69 -4.053 5.424 0.471 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.095 2.224 -0.220 1.00 0.00 C ATOM 0 H ALA A 69 -6.407 2.129 1.865 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.800 3.064 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.429 2.467 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.913 1.199 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.130 2.323 -0.546 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.273 4.982 0.176 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.697 6.329 -0.237 1.00 0.00 C ATOM 1128 C LEU A 70 -6.346 7.359 0.840 1.00 0.00 C ATOM 1129 O LEU A 70 -5.630 8.313 0.565 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.230 6.320 -0.529 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.926 7.699 -0.804 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.291 8.459 -1.991 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.445 7.509 -1.028 1.00 0.00 C ATOM 0 H LEU A 70 -7.040 4.310 0.191 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.167 6.612 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.404 5.678 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.731 5.854 0.320 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.773 8.313 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.811 9.406 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.239 8.652 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.374 7.856 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.909 8.477 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.607 6.855 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.890 7.061 -0.140 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.815 7.101 2.072 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.687 8.022 3.227 1.00 0.00 C ATOM 1147 C ASP A 71 -5.219 8.407 3.491 1.00 0.00 C ATOM 1148 O ASP A 71 -4.882 9.601 3.615 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.302 7.349 4.481 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.417 8.280 5.705 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -6.445 8.403 6.477 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -8.498 8.870 5.910 1.00 0.00 O ATOM 0 H ASP A 71 -7.302 6.235 2.303 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.224 8.942 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.294 6.974 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.694 6.485 4.751 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.365 7.374 3.558 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.918 7.526 3.754 1.00 0.00 C ATOM 1159 C ALA A 72 -2.283 8.369 2.634 1.00 0.00 C ATOM 1160 O ALA A 72 -1.526 9.319 2.901 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.274 6.136 3.821 1.00 0.00 C ATOM 0 H ALA A 72 -4.664 6.402 3.477 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.743 8.055 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.199 6.240 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.701 5.577 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.464 5.602 2.890 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.643 8.036 1.378 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.105 8.700 0.184 1.00 0.00 C ATOM 1169 C ALA A 73 -2.499 10.178 0.134 1.00 0.00 C ATOM 1170 O ALA A 73 -1.691 11.003 -0.293 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.551 7.969 -1.092 1.00 0.00 C ATOM 0 H ALA A 73 -3.315 7.298 1.168 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.018 8.655 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.141 8.478 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.189 6.941 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.639 7.969 -1.150 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.735 10.504 0.586 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.237 11.892 0.608 1.00 0.00 C ATOM 1179 C LYS A 74 -3.322 12.740 1.462 1.00 0.00 C ATOM 1180 O LYS A 74 -2.732 13.694 0.961 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.700 11.993 1.117 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.731 11.180 0.298 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.184 11.677 0.461 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.414 13.036 -0.223 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.827 13.471 -0.134 1.00 0.00 N ATOM 0 H LYS A 74 -4.402 9.818 0.941 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.240 12.259 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.733 11.656 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.999 13.041 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.458 11.222 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.678 10.134 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.868 10.940 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.420 11.761 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.774 13.787 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.121 12.969 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.938 14.391 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.437 12.767 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.100 13.561 0.865 1.00 0.00 H new ATOM 1199 N SER A 75 -3.140 12.296 2.716 1.00 0.00 N ATOM 1200 CA SER A 75 -2.295 12.965 3.715 1.00 0.00 C ATOM 1201 C SER A 75 -0.885 13.281 3.169 1.00 0.00 C ATOM 1202 O SER A 75 -0.355 14.366 3.395 1.00 0.00 O ATOM 1203 CB SER A 75 -2.209 12.074 4.974 1.00 0.00 C ATOM 1204 OG SER A 75 -3.512 11.756 5.452 1.00 0.00 O ATOM 0 H SER A 75 -3.584 11.448 3.069 1.00 0.00 H new ATOM 0 HA SER A 75 -2.750 13.923 3.968 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.667 11.157 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.645 12.588 5.752 1.00 0.00 H new ATOM 0 HG SER A 75 -3.870 10.998 4.945 1.00 0.00 H new ATOM 1210 N MET A 76 -0.322 12.328 2.408 1.00 0.00 N ATOM 1211 CA MET A 76 1.024 12.452 1.810 1.00 0.00 C ATOM 1212 C MET A 76 1.055 13.501 0.679 1.00 0.00 C ATOM 1213 O MET A 76 2.006 14.279 0.580 1.00 0.00 O ATOM 1214 CB MET A 76 1.487 11.085 1.273 1.00 0.00 C ATOM 1215 CG MET A 76 1.583 9.984 2.326 1.00 0.00 C ATOM 1216 SD MET A 76 2.713 10.414 3.676 1.00 0.00 S ATOM 1217 CE MET A 76 1.593 10.774 5.029 1.00 0.00 C ATOM 0 H MET A 76 -0.786 11.447 2.188 1.00 0.00 H new ATOM 0 HA MET A 76 1.705 12.789 2.592 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.796 10.764 0.493 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.463 11.206 0.804 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.591 9.788 2.734 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.921 9.062 1.853 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.092 11.419 5.752 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.707 11.278 4.643 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.299 9.844 5.515 1.00 0.00 H new ATOM 1227 N HIS A 77 0.016 13.497 -0.179 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.136 14.492 -1.270 1.00 0.00 C ATOM 1229 C HIS A 77 -0.320 15.924 -0.715 1.00 0.00 C ATOM 1230 O HIS A 77 0.047 16.894 -1.384 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.298 14.102 -2.228 1.00 0.00 C ATOM 1232 CG HIS A 77 -0.987 12.993 -3.213 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.064 13.159 -4.581 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.647 11.694 -3.028 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.788 12.019 -5.176 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.532 11.116 -4.261 1.00 0.00 N ATOM 0 H HIS A 77 -0.738 12.812 -0.140 1.00 0.00 H new ATOM 0 HA HIS A 77 0.788 14.486 -1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.156 13.800 -1.627 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.597 14.988 -2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.494 11.204 -2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.775 11.854 -6.243 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.287 10.142 -4.440 1.00 0.00 H new ATOM 1245 N GLU A 78 -0.867 16.035 0.511 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.029 17.330 1.213 1.00 0.00 C ATOM 1247 C GLU A 78 0.326 17.812 1.777 1.00 0.00 C ATOM 1248 O GLU A 78 0.530 19.007 1.992 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.084 17.203 2.350 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.396 16.505 1.923 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.188 17.225 0.815 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -3.906 16.998 -0.384 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -5.115 18.000 1.136 1.00 0.00 O ATOM 0 H GLU A 78 -1.209 15.235 1.044 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.384 18.071 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.644 16.648 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.321 18.199 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.159 15.497 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.037 16.403 2.799 1.00 0.00 H new ATOM 1260 N LEU A 79 1.240 16.853 2.030 1.00 0.00 N ATOM 1261 CA LEU A 79 2.634 17.138 2.450 1.00 0.00 C ATOM 1262 C LEU A 79 3.546 17.385 1.233 1.00 0.00 C ATOM 1263 O LEU A 79 4.696 17.802 1.391 1.00 0.00 O ATOM 1264 CB LEU A 79 3.177 15.965 3.304 1.00 0.00 C ATOM 1265 CG LEU A 79 2.302 15.594 4.531 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.810 14.324 5.233 1.00 0.00 C ATOM 1267 CD2 LEU A 79 2.169 16.772 5.529 1.00 0.00 C ATOM 0 H LEU A 79 1.035 15.857 1.950 1.00 0.00 H new ATOM 0 HA LEU A 79 2.631 18.047 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.276 15.086 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.178 16.221 3.653 1.00 0.00 H new ATOM 0 HG LEU A 79 1.304 15.380 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.170 14.099 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.789 13.488 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.832 14.483 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.548 16.467 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.157 17.056 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.708 17.623 5.028 1.00 0.00 H new ATOM 1279 N GLY A 80 3.029 17.098 0.022 1.00 0.00 N ATOM 1280 CA GLY A 80 3.734 17.388 -1.233 1.00 0.00 C ATOM 1281 C GLY A 80 4.297 16.155 -1.931 1.00 0.00 C ATOM 1282 O GLY A 80 4.916 16.288 -2.991 1.00 0.00 O ATOM 0 H GLY A 80 2.116 16.661 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.050 17.896 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.551 18.080 -1.027 1.00 0.00 H new ATOM 1286 N TYR A 81 4.121 14.954 -1.341 1.00 0.00 N ATOM 1287 CA TYR A 81 4.555 13.686 -1.986 1.00 0.00 C ATOM 1288 C TYR A 81 3.469 13.200 -2.961 1.00 0.00 C ATOM 1289 O TYR A 81 2.362 13.735 -2.975 1.00 0.00 O ATOM 1290 CB TYR A 81 4.856 12.599 -0.921 1.00 0.00 C ATOM 1291 CG TYR A 81 5.793 13.075 0.201 1.00 0.00 C ATOM 1292 CD1 TYR A 81 7.167 13.252 -0.018 1.00 0.00 C ATOM 1293 CD2 TYR A 81 5.297 13.363 1.474 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.995 13.699 0.995 1.00 0.00 C ATOM 1295 CE2 TYR A 81 6.128 13.804 2.480 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.472 13.972 2.239 1.00 0.00 C ATOM 1297 OH TYR A 81 8.295 14.433 3.244 1.00 0.00 O ATOM 0 H TYR A 81 3.686 14.831 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 81 5.474 13.874 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.917 12.265 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.303 11.735 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.584 13.036 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.243 13.238 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.051 13.834 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.724 14.018 3.459 1.00 0.00 H new ATOM 0 HH TYR A 81 7.768 14.577 4.058 1.00 0.00 H new ATOM 1307 N THR A 82 3.775 12.170 -3.765 1.00 0.00 N ATOM 1308 CA THR A 82 2.824 11.612 -4.755 1.00 0.00 C ATOM 1309 C THR A 82 2.864 10.051 -4.773 1.00 0.00 C ATOM 1310 O THR A 82 3.231 9.449 -5.794 1.00 0.00 O ATOM 1311 CB THR A 82 3.105 12.182 -6.204 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.510 12.066 -6.512 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.658 13.653 -6.370 1.00 0.00 C ATOM 0 H THR A 82 4.680 11.699 -3.753 1.00 0.00 H new ATOM 0 HA THR A 82 1.825 11.923 -4.449 1.00 0.00 H new ATOM 0 HB THR A 82 2.513 11.586 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.792 11.133 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.877 13.987 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.587 13.731 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.195 14.279 -5.658 1.00 0.00 H new ATOM 1321 N PRO A 83 2.522 9.352 -3.635 1.00 0.00 N ATOM 1322 CA PRO A 83 2.323 7.885 -3.651 1.00 0.00 C ATOM 1323 C PRO A 83 0.987 7.490 -4.322 1.00 0.00 C ATOM 1324 O PRO A 83 -0.027 8.191 -4.186 1.00 0.00 O ATOM 1325 CB PRO A 83 2.326 7.506 -2.150 1.00 0.00 C ATOM 1326 CG PRO A 83 1.794 8.728 -1.474 1.00 0.00 C ATOM 1327 CD PRO A 83 2.355 9.895 -2.255 1.00 0.00 C ATOM 0 HA PRO A 83 3.090 7.368 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.699 6.636 -1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.329 7.260 -1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.704 8.738 -1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.106 8.767 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.678 10.749 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.305 10.234 -1.841 1.00 0.00 H new ATOM 1335 N TYR A 84 1.026 6.381 -5.060 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.163 5.703 -5.599 1.00 0.00 C ATOM 1337 C TYR A 84 -0.843 4.923 -4.475 1.00 0.00 C ATOM 1338 O TYR A 84 -0.302 4.837 -3.363 1.00 0.00 O ATOM 1339 CB TYR A 84 0.250 4.753 -6.756 1.00 0.00 C ATOM 1340 CG TYR A 84 0.898 5.477 -7.950 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.236 5.891 -7.905 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.165 5.782 -9.100 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.812 6.564 -8.965 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.741 6.460 -10.157 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.062 6.852 -10.083 1.00 0.00 C ATOM 1346 OH TYR A 84 2.637 7.532 -11.136 1.00 0.00 O ATOM 0 H TYR A 84 1.900 5.916 -5.307 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.863 6.438 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.948 4.009 -6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.631 4.214 -7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.827 5.680 -7.026 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.871 5.482 -9.164 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.848 6.864 -8.917 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.159 6.683 -11.039 1.00 0.00 H new ATOM 0 HH TYR A 84 1.974 7.655 -11.847 1.00 0.00 H new ATOM 1356 N TYR A 85 -2.018 4.354 -4.754 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.728 3.544 -3.767 1.00 0.00 C ATOM 1358 C TYR A 85 -3.543 2.447 -4.462 1.00 0.00 C ATOM 1359 O TYR A 85 -4.187 2.690 -5.491 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.597 4.434 -2.835 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.748 5.210 -3.500 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.542 6.470 -4.066 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -6.044 4.683 -3.545 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.579 7.165 -4.642 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -7.077 5.380 -4.121 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.841 6.617 -4.671 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.874 7.308 -5.256 1.00 0.00 O ATOM 0 H TYR A 85 -2.495 4.440 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.998 3.047 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.019 3.800 -2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.942 5.152 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.554 6.905 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.235 3.709 -3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.403 8.140 -5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.071 4.958 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.698 6.781 -5.193 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.467 1.234 -3.901 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.147 0.048 -4.419 1.00 0.00 C ATOM 1379 C LEU A 86 -5.420 -0.197 -3.603 1.00 0.00 C ATOM 1380 O LEU A 86 -5.362 -0.454 -2.376 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.175 -1.179 -4.375 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.657 -2.565 -4.959 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.538 -3.370 -3.977 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.368 -2.391 -6.314 1.00 0.00 C ATOM 0 H LEU A 86 -2.921 1.050 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.437 0.198 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.266 -0.897 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.897 -1.341 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.751 -3.151 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.834 -4.311 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.974 -3.576 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.428 -2.792 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.686 -3.365 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.240 -1.749 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.682 -1.936 -7.029 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.553 -0.118 -4.308 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.858 -0.524 -3.806 1.00 0.00 C ATOM 1398 C GLU A 87 -8.110 -1.947 -4.313 1.00 0.00 C ATOM 1399 O GLU A 87 -8.277 -2.153 -5.524 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.959 0.453 -4.299 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.757 1.918 -3.855 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.888 2.851 -4.320 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.886 3.009 -3.585 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.794 3.403 -5.438 1.00 0.00 O ATOM 0 H GLU A 87 -6.583 0.238 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.883 -0.501 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.998 0.418 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.926 0.106 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.687 1.956 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.808 2.283 -4.248 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.071 -2.914 -3.395 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.213 -4.328 -3.727 1.00 0.00 C ATOM 1413 C GLY A 88 -8.059 -5.204 -2.496 1.00 0.00 C ATOM 1414 O GLY A 88 -7.355 -4.829 -1.557 1.00 0.00 O ATOM 0 H GLY A 88 -7.940 -2.736 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.190 -4.501 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.465 -4.606 -4.469 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.699 -6.379 -2.514 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.726 -7.295 -1.360 1.00 0.00 C ATOM 1420 C ASN A 89 -7.366 -7.998 -1.165 1.00 0.00 C ATOM 1421 O ASN A 89 -6.910 -8.713 -2.060 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.844 -8.337 -1.537 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.244 -7.742 -1.449 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.825 -7.323 -2.451 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.801 -7.716 -0.246 1.00 0.00 N ATOM 0 H ASN A 89 -9.212 -6.724 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.926 -6.703 -0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.725 -8.826 -2.504 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.736 -9.108 -0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.742 -7.340 -0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.289 -8.072 0.561 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.750 -7.804 0.028 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.379 -8.283 0.329 1.00 0.00 C ATOM 1434 C VAL A 90 -5.266 -9.823 0.273 1.00 0.00 C ATOM 1435 O VAL A 90 -4.304 -10.353 -0.274 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.844 -7.723 1.711 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.667 -8.237 2.902 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.339 -8.020 1.916 1.00 0.00 C ATOM 0 H VAL A 90 -7.189 -7.312 0.806 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.740 -7.885 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.966 -6.641 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.263 -7.827 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.705 -7.924 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.618 -9.325 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.016 -7.618 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.175 -9.098 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.764 -7.554 1.116 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.286 -10.529 0.794 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.319 -12.013 0.801 1.00 0.00 C ATOM 1450 C TYR A 91 -6.497 -12.555 -0.635 1.00 0.00 C ATOM 1451 O TYR A 91 -6.032 -13.656 -0.962 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.460 -12.539 1.727 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.313 -12.146 3.212 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.728 -10.894 3.668 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -6.742 -13.013 4.146 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.581 -10.519 4.989 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -6.600 -12.644 5.476 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.015 -11.399 5.891 1.00 0.00 C ATOM 1459 OH TYR A 91 -6.865 -11.025 7.212 1.00 0.00 O ATOM 0 H TYR A 91 -7.106 -10.097 1.220 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.368 -12.373 1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.413 -12.162 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.498 -13.626 1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.175 -10.201 2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.405 -13.988 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.907 -9.542 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.164 -13.333 6.185 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.112 -11.513 7.607 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.147 -11.739 -1.484 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.460 -12.087 -2.878 1.00 0.00 C ATOM 1471 C ASP A 92 -6.256 -11.892 -3.824 1.00 0.00 C ATOM 1472 O ASP A 92 -6.297 -12.390 -4.945 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.683 -11.271 -3.394 1.00 0.00 C ATOM 1474 CG ASP A 92 -10.032 -11.704 -2.771 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.191 -11.616 -1.529 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.947 -12.117 -3.521 1.00 0.00 O ATOM 0 H ASP A 92 -7.472 -10.810 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.709 -13.148 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.518 -10.215 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.745 -11.373 -4.477 1.00 0.00 H new ATOM 1481 N PHE A 93 -5.189 -11.193 -3.382 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.970 -10.995 -4.216 1.00 0.00 C ATOM 1483 C PHE A 93 -3.425 -12.351 -4.714 1.00 0.00 C ATOM 1484 O PHE A 93 -3.137 -12.532 -5.901 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.842 -10.268 -3.429 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.133 -8.845 -2.960 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.214 -8.116 -3.440 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.304 -8.236 -2.033 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.449 -6.824 -3.019 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.537 -6.949 -1.618 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.611 -6.241 -2.099 1.00 0.00 C ATOM 0 H PHE A 93 -5.140 -10.757 -2.461 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.266 -10.375 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.597 -10.870 -2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.952 -10.242 -4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.883 -8.570 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.463 -8.781 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.290 -6.271 -3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.869 -6.488 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.796 -5.233 -1.757 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.349 -13.297 -3.766 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.778 -14.629 -3.982 1.00 0.00 C ATOM 1503 C GLU A 94 -3.599 -15.415 -5.039 1.00 0.00 C ATOM 1504 O GLU A 94 -3.022 -16.021 -5.948 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.699 -15.380 -2.609 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.520 -16.374 -2.461 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.618 -17.612 -3.376 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.572 -18.400 -3.217 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -0.741 -17.809 -4.247 1.00 0.00 O ATOM 0 H GLU A 94 -3.688 -13.153 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.767 -14.540 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.629 -14.639 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.631 -15.924 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.589 -15.850 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.467 -16.706 -1.424 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.950 -15.357 -4.936 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.852 -16.111 -5.841 1.00 0.00 C ATOM 1518 C LYS A 95 -5.978 -15.429 -7.227 1.00 0.00 C ATOM 1519 O LYS A 95 -6.402 -16.069 -8.193 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.258 -16.303 -5.203 1.00 0.00 C ATOM 1521 CG LYS A 95 -8.061 -15.003 -5.013 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.482 -15.197 -4.424 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.456 -15.922 -5.373 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.241 -17.393 -5.428 1.00 0.00 N ATOM 0 H LYS A 95 -5.438 -14.797 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.403 -17.093 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.836 -16.983 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.139 -16.786 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.499 -14.338 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.148 -14.502 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.406 -15.763 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.896 -14.221 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.479 -15.723 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.350 -15.509 -6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.897 -17.658 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.537 -17.668 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.138 -17.882 -5.236 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.640 -14.124 -7.307 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.537 -13.392 -8.594 1.00 0.00 C ATOM 1540 C TYR A 96 -4.214 -13.749 -9.303 1.00 0.00 C ATOM 1541 O TYR A 96 -4.105 -13.600 -10.523 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.658 -11.847 -8.377 1.00 0.00 C ATOM 1543 CG TYR A 96 -7.107 -11.302 -8.279 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.995 -11.763 -7.308 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -7.579 -10.321 -9.166 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -9.283 -11.270 -7.214 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.867 -9.825 -9.074 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.715 -10.303 -8.098 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.999 -9.810 -8.005 1.00 0.00 O ATOM 0 H TYR A 96 -5.432 -13.550 -6.490 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.366 -13.699 -9.231 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.125 -11.582 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.152 -11.341 -9.199 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.669 -12.523 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.922 -9.946 -9.937 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.950 -11.641 -6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.207 -9.067 -9.764 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.142 -9.135 -8.701 1.00 0.00 H new ATOM 1559 N GLY A 97 -3.213 -14.212 -8.527 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.952 -14.732 -9.083 1.00 0.00 C ATOM 1561 C GLY A 97 -0.745 -13.868 -8.748 1.00 0.00 C ATOM 1562 O GLY A 97 0.246 -13.864 -9.491 1.00 0.00 O ATOM 0 H GLY A 97 -3.257 -14.235 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.785 -15.740 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.045 -14.810 -10.166 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.821 -13.136 -7.627 1.00 0.00 N ATOM 1567 CA PHE A 98 0.270 -12.271 -7.138 1.00 0.00 C ATOM 1568 C PHE A 98 0.977 -12.946 -5.952 1.00 0.00 C ATOM 1569 O PHE A 98 0.318 -13.553 -5.096 1.00 0.00 O ATOM 1570 CB PHE A 98 -0.284 -10.877 -6.728 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.876 -10.082 -7.899 1.00 0.00 C ATOM 1572 CD1 PHE A 98 -0.052 -9.302 -8.710 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -2.238 -10.127 -8.194 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.572 -8.587 -9.771 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.758 -9.415 -9.260 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.924 -8.645 -10.050 1.00 0.00 C ATOM 0 H PHE A 98 -1.646 -13.125 -7.028 1.00 0.00 H new ATOM 0 HA PHE A 98 0.994 -12.124 -7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.052 -11.010 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.519 -10.296 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.007 -9.256 -8.505 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.896 -10.726 -7.582 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.079 -7.981 -10.384 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.815 -9.460 -9.475 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.329 -8.090 -10.883 1.00 0.00 H new ATOM 1586 N ARG A 99 2.319 -12.840 -5.930 1.00 0.00 N ATOM 1587 CA ARG A 99 3.172 -13.385 -4.858 1.00 0.00 C ATOM 1588 C ARG A 99 2.863 -12.699 -3.518 1.00 0.00 C ATOM 1589 O ARG A 99 2.919 -11.472 -3.405 1.00 0.00 O ATOM 1590 CB ARG A 99 4.675 -13.225 -5.240 1.00 0.00 C ATOM 1591 CG ARG A 99 5.708 -13.398 -4.092 1.00 0.00 C ATOM 1592 CD ARG A 99 5.691 -14.782 -3.425 1.00 0.00 C ATOM 1593 NE ARG A 99 6.594 -14.829 -2.264 1.00 0.00 N ATOM 1594 CZ ARG A 99 7.037 -15.944 -1.659 1.00 0.00 C ATOM 1595 NH1 ARG A 99 6.697 -17.149 -2.098 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.825 -15.840 -0.605 1.00 0.00 N ATOM 0 H ARG A 99 2.847 -12.368 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 99 2.959 -14.448 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.907 -13.951 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.812 -12.235 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.707 -13.211 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.519 -12.640 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.676 -15.023 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.987 -15.541 -4.149 1.00 0.00 H new ATOM 0 HE ARG A 99 6.912 -13.937 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.087 -17.243 -2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.045 -17.982 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.092 -14.919 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.167 -16.680 -0.139 1.00 0.00 H new ATOM 1610 N MET A 100 2.547 -13.531 -2.516 1.00 0.00 N ATOM 1611 CA MET A 100 2.268 -13.098 -1.135 1.00 0.00 C ATOM 1612 C MET A 100 3.104 -13.918 -0.142 1.00 0.00 C ATOM 1613 O MET A 100 3.789 -14.880 -0.526 1.00 0.00 O ATOM 1614 CB MET A 100 0.761 -13.237 -0.778 1.00 0.00 C ATOM 1615 CG MET A 100 -0.203 -12.437 -1.666 1.00 0.00 C ATOM 1616 SD MET A 100 -1.839 -12.295 -0.924 1.00 0.00 S ATOM 1617 CE MET A 100 -1.453 -11.338 0.539 1.00 0.00 C ATOM 0 H MET A 100 2.476 -14.541 -2.642 1.00 0.00 H new ATOM 0 HA MET A 100 2.538 -12.044 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.488 -14.291 -0.832 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.620 -12.924 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.205 -11.441 -1.839 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.286 -12.921 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.366 -10.894 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.009 -11.989 1.293 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.748 -10.548 0.281 1.00 0.00 H new ATOM 1627 N VAL A 101 3.024 -13.521 1.144 1.00 0.00 N ATOM 1628 CA VAL A 101 3.714 -14.181 2.267 1.00 0.00 C ATOM 1629 C VAL A 101 2.739 -14.336 3.467 1.00 0.00 C ATOM 1630 O VAL A 101 2.309 -13.352 4.081 1.00 0.00 O ATOM 1631 CB VAL A 101 5.036 -13.410 2.689 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.147 -13.616 1.640 1.00 0.00 C ATOM 1633 CG2 VAL A 101 4.781 -11.902 2.905 1.00 0.00 C ATOM 0 H VAL A 101 2.467 -12.717 1.435 1.00 0.00 H new ATOM 0 HA VAL A 101 4.026 -15.172 1.939 1.00 0.00 H new ATOM 0 HB VAL A 101 5.363 -13.831 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.044 -13.079 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.373 -14.679 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.811 -13.236 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.712 -11.413 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.409 -11.460 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.042 -11.767 3.695 1.00 0.00 H new ATOM 1643 N TYR A 102 2.354 -15.594 3.730 1.00 0.00 N ATOM 1644 CA TYR A 102 1.479 -15.995 4.859 1.00 0.00 C ATOM 1645 C TYR A 102 2.331 -16.660 5.953 1.00 0.00 C ATOM 1646 O TYR A 102 3.369 -17.254 5.639 1.00 0.00 O ATOM 1647 CB TYR A 102 0.358 -16.963 4.366 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.780 -16.291 3.560 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.535 -15.670 2.328 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -2.101 -16.280 4.035 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.551 -15.054 1.617 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -3.116 -15.660 3.324 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.836 -15.057 2.114 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.844 -14.425 1.416 1.00 0.00 O ATOM 0 H TYR A 102 2.645 -16.384 3.155 1.00 0.00 H new ATOM 0 HA TYR A 102 0.997 -15.109 5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.813 -17.736 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.077 -17.462 5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.467 -15.672 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.331 -16.764 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.337 -14.572 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.123 -15.649 3.715 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.453 -13.799 0.771 1.00 0.00 H new ATOM 1664 N ASP A 103 1.871 -16.565 7.224 1.00 0.00 N ATOM 1665 CA ASP A 103 2.606 -17.057 8.416 1.00 0.00 C ATOM 1666 C ASP A 103 4.027 -16.452 8.477 1.00 0.00 C ATOM 1667 O ASP A 103 4.986 -17.101 8.918 1.00 0.00 O ATOM 1668 CB ASP A 103 2.645 -18.614 8.448 1.00 0.00 C ATOM 1669 CG ASP A 103 1.252 -19.246 8.604 1.00 0.00 C ATOM 1670 OD1 ASP A 103 0.791 -19.428 9.752 1.00 0.00 O ATOM 1671 OD2 ASP A 103 0.602 -19.544 7.575 1.00 0.00 O ATOM 0 H ASP A 103 0.972 -16.141 7.453 1.00 0.00 H new ATOM 0 HA ASP A 103 2.069 -16.726 9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.103 -18.980 7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.280 -18.939 9.272 1.00 0.00 H new ATOM 1676 N ASP A 104 4.118 -15.170 8.072 1.00 0.00 N ATOM 1677 CA ASP A 104 5.395 -14.443 7.901 1.00 0.00 C ATOM 1678 C ASP A 104 6.097 -14.189 9.255 1.00 0.00 C ATOM 1679 O ASP A 104 7.319 -14.009 9.288 1.00 0.00 O ATOM 1680 CB ASP A 104 5.128 -13.108 7.152 1.00 0.00 C ATOM 1681 CG ASP A 104 6.405 -12.298 6.831 1.00 0.00 C ATOM 1682 OD1 ASP A 104 7.084 -12.605 5.820 1.00 0.00 O ATOM 1683 OD2 ASP A 104 6.726 -11.331 7.564 1.00 0.00 O ATOM 0 H ASP A 104 3.299 -14.603 7.852 1.00 0.00 H new ATOM 0 HA ASP A 104 6.070 -15.061 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.605 -13.325 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.462 -12.492 7.756 1.00 0.00 H new ATOM 1688 N THR A 105 5.295 -14.193 10.344 1.00 0.00 N ATOM 1689 CA THR A 105 5.748 -13.958 11.735 1.00 0.00 C ATOM 1690 C THR A 105 7.045 -14.736 12.091 1.00 0.00 C ATOM 1691 O THR A 105 8.087 -14.124 12.367 1.00 0.00 O ATOM 1692 CB THR A 105 4.591 -14.276 12.766 1.00 0.00 C ATOM 1693 OG1 THR A 105 5.077 -14.266 14.119 1.00 0.00 O ATOM 1694 CG2 THR A 105 3.857 -15.601 12.483 1.00 0.00 C ATOM 0 H THR A 105 4.291 -14.364 10.279 1.00 0.00 H new ATOM 0 HA THR A 105 5.997 -12.899 11.806 1.00 0.00 H new ATOM 0 HB THR A 105 3.863 -13.475 12.636 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.243 -13.342 14.400 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.078 -15.752 13.230 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.406 -15.563 11.491 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.567 -16.427 12.527 1.00 0.00 H new ATOM 1702 N CYS A 106 6.983 -16.069 12.017 1.00 0.00 N ATOM 1703 CA CYS A 106 8.097 -16.967 12.366 1.00 0.00 C ATOM 1704 C CYS A 106 7.927 -18.302 11.619 1.00 0.00 C ATOM 1705 O CYS A 106 6.970 -18.474 10.847 1.00 0.00 O ATOM 1706 CB CYS A 106 8.166 -17.196 13.903 1.00 0.00 C ATOM 1707 SG CYS A 106 8.532 -15.711 14.873 1.00 0.00 S ATOM 0 H CYS A 106 6.147 -16.565 11.709 1.00 0.00 H new ATOM 0 HA CYS A 106 9.036 -16.505 12.062 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.214 -17.607 14.239 1.00 0.00 H new ATOM 0 HB3 CYS A 106 8.929 -17.947 14.111 1.00 0.00 H new ATOM 0 HG CYS A 106 8.555 -14.675 14.088 1.00 0.00 H new ATOM 1713 N ASP A 107 8.864 -19.236 11.853 1.00 0.00 N ATOM 1714 CA ASP A 107 8.838 -20.573 11.237 1.00 0.00 C ATOM 1715 C ASP A 107 7.721 -21.448 11.851 1.00 0.00 C ATOM 1716 O ASP A 107 7.533 -21.467 13.074 1.00 0.00 O ATOM 1717 CB ASP A 107 10.223 -21.256 11.396 1.00 0.00 C ATOM 1718 CG ASP A 107 10.255 -22.705 10.881 1.00 0.00 C ATOM 1719 OD1 ASP A 107 9.819 -22.946 9.731 1.00 0.00 O ATOM 1720 OD2 ASP A 107 10.678 -23.610 11.633 1.00 0.00 O ATOM 0 H ASP A 107 9.659 -19.086 12.473 1.00 0.00 H new ATOM 0 HA ASP A 107 8.621 -20.460 10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.971 -20.672 10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.505 -21.247 12.449 1.00 0.00 H new ATOM 1725 N LYS A 108 7.004 -22.166 10.969 1.00 0.00 N ATOM 1726 CA LYS A 108 5.884 -23.066 11.337 1.00 0.00 C ATOM 1727 C LYS A 108 5.820 -24.278 10.381 1.00 0.00 C ATOM 1728 O LYS A 108 5.030 -25.201 10.607 1.00 0.00 O ATOM 1729 CB LYS A 108 4.513 -22.271 11.318 1.00 0.00 C ATOM 1730 CG LYS A 108 3.873 -21.984 12.716 1.00 0.00 C ATOM 1731 CD LYS A 108 2.639 -22.868 13.050 1.00 0.00 C ATOM 1732 CE LYS A 108 2.958 -24.370 13.152 1.00 0.00 C ATOM 1733 NZ LYS A 108 1.753 -25.172 13.487 1.00 0.00 N ATOM 0 H LYS A 108 7.184 -22.141 9.965 1.00 0.00 H new ATOM 0 HA LYS A 108 6.058 -23.438 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.673 -21.320 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 108 3.796 -22.834 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 108 4.630 -22.132 13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.576 -20.936 12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.209 -22.533 13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.879 -22.719 12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.374 -24.718 12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.722 -24.528 13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.011 -26.178 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.370 -24.858 14.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.033 -25.042 12.748 1.00 0.00 H new ATOM 1747 N LYS A 109 6.671 -24.286 9.332 1.00 0.00 N ATOM 1748 CA LYS A 109 6.494 -25.185 8.175 1.00 0.00 C ATOM 1749 C LYS A 109 7.823 -25.451 7.443 1.00 0.00 C ATOM 1750 O LYS A 109 8.743 -24.628 7.482 1.00 0.00 O ATOM 1751 CB LYS A 109 5.442 -24.566 7.208 1.00 0.00 C ATOM 1752 CG LYS A 109 5.781 -23.138 6.711 1.00 0.00 C ATOM 1753 CD LYS A 109 4.594 -22.447 6.001 1.00 0.00 C ATOM 1754 CE LYS A 109 3.414 -22.162 6.950 1.00 0.00 C ATOM 1755 NZ LYS A 109 2.279 -21.509 6.247 1.00 0.00 N ATOM 0 H LYS A 109 7.488 -23.679 9.265 1.00 0.00 H new ATOM 0 HA LYS A 109 6.139 -26.150 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.334 -25.221 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.476 -24.541 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.094 -22.529 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.627 -23.189 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.935 -21.510 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.250 -23.077 5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.074 -23.096 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.751 -21.523 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.580 -21.182 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.630 -20.696 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.831 -22.191 5.602 1.00 0.00 H new ATOM 1769 N ASN A 110 7.911 -26.633 6.806 1.00 0.00 N ATOM 1770 CA ASN A 110 9.047 -27.034 5.948 1.00 0.00 C ATOM 1771 C ASN A 110 8.497 -27.311 4.530 1.00 0.00 C ATOM 1772 O ASN A 110 7.829 -28.356 4.339 1.00 0.00 O ATOM 1773 CB ASN A 110 9.788 -28.284 6.524 1.00 0.00 C ATOM 1774 CG ASN A 110 10.610 -27.977 7.779 1.00 0.00 C ATOM 1775 OD1 ASN A 110 11.796 -27.655 7.694 1.00 0.00 O ATOM 1776 ND2 ASN A 110 9.997 -28.068 8.949 1.00 0.00 N ATOM 1777 OXT ASN A 110 8.690 -26.469 3.623 1.00 0.00 O ATOM 0 H ASN A 110 7.186 -27.348 6.872 1.00 0.00 H new ATOM 0 HA ASN A 110 9.784 -26.232 5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.055 -29.056 6.758 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.447 -28.692 5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.508 -27.869 9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.014 -28.337 8.990 1.00 0.00 H new TER 1784 ASN A 110