USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 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 15 ASN : amide:sc= 0.0469 K(o=0.11,f=0.66) USER MOD Set 1.2: A 35 ASN : amide:sc= 0.0679 K(o=0.11,f=0.66) USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0217 (180deg=-0.18) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.718 (180deg=-0.43) USER MOD Single : A 5 TYR OH : rot 180: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 28 TYR OH : rot 52:sc= 0.288 USER MOD Single : A 32 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-0.88) USER MOD Single : A 37 THR OG1 : rot 75:sc= 0.156 USER MOD Single : A 40 SER OG : rot 180:sc= -0.111 USER MOD Single : A 42 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.19) USER MOD Single : A 44 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.19) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0.824 (180deg=0.302) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.27) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= -1.01 (180deg=-3.39!) USER MOD Single : A 57 LYS NZ :NH3+ 139:sc= 0.921 (180deg=-0.063) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0.378 (180deg=0.348) USER MOD Single : A 62 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-3!) USER MOD Single : A 63 CYS SG : rot 60:sc= -2.31! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 81:sc= 0.327 USER MOD Single : A 76 MET CE :methyl -164:sc= -0.531 (180deg=-1.05) USER MOD Single : A 77 HIS : no HE2:sc= -0.382 K(o=0.3,f=-8.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 139:sc= -2.21 (180deg=-5.55!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 106 CYS SG : rot -4:sc= 0.0734 USER MOD Single : A 108 LYS NZ :NH3+ 140:sc= -0.221 (180deg=-1.9!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.886 15.342 -6.079 1.00 0.00 N ATOM 2 CA MET A 1 -5.589 15.111 -6.756 1.00 0.00 C ATOM 3 C MET A 1 -5.330 13.602 -6.967 1.00 0.00 C ATOM 4 O MET A 1 -5.115 13.158 -8.098 1.00 0.00 O ATOM 5 CB MET A 1 -4.435 15.741 -5.937 1.00 0.00 C ATOM 6 CG MET A 1 -3.042 15.606 -6.574 1.00 0.00 C ATOM 7 SD MET A 1 -1.700 16.093 -5.460 1.00 0.00 S ATOM 8 CE MET A 1 -2.139 17.779 -5.036 1.00 0.00 C ATOM 0 H1 MET A 1 -7.432 16.052 -6.607 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.422 14.451 -6.042 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.717 15.685 -5.112 1.00 0.00 H new ATOM 0 HA MET A 1 -5.632 15.588 -7.735 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.650 16.799 -5.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.414 15.278 -4.950 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.890 14.573 -6.886 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.000 16.220 -7.474 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.318 18.242 -4.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.333 18.345 -5.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.033 17.776 -4.413 1.00 0.00 H new ATOM 20 N LEU A 2 -5.360 12.806 -5.873 1.00 0.00 N ATOM 21 CA LEU A 2 -4.889 11.396 -5.911 1.00 0.00 C ATOM 22 C LEU A 2 -5.930 10.418 -6.483 1.00 0.00 C ATOM 23 O LEU A 2 -5.661 9.213 -6.556 1.00 0.00 O ATOM 24 CB LEU A 2 -4.416 10.901 -4.519 1.00 0.00 C ATOM 25 CG LEU A 2 -5.504 10.381 -3.528 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.840 9.738 -2.311 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.472 11.483 -3.092 1.00 0.00 C ATOM 0 H LEU A 2 -5.701 13.109 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.038 11.404 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.694 10.100 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.884 11.720 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.094 9.632 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.607 9.378 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.221 8.901 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.217 10.475 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.209 11.069 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.917 12.279 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.981 11.888 -3.967 1.00 0.00 H new ATOM 39 N GLU A 3 -7.109 10.922 -6.892 1.00 0.00 N ATOM 40 CA GLU A 3 -8.126 10.087 -7.573 1.00 0.00 C ATOM 41 C GLU A 3 -7.586 9.559 -8.938 1.00 0.00 C ATOM 42 O GLU A 3 -8.095 8.581 -9.492 1.00 0.00 O ATOM 43 CB GLU A 3 -9.481 10.836 -7.767 1.00 0.00 C ATOM 44 CG GLU A 3 -9.425 12.186 -8.539 1.00 0.00 C ATOM 45 CD GLU A 3 -9.019 13.418 -7.701 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.910 13.321 -6.449 1.00 0.00 O ATOM 47 OE2 GLU A 3 -8.820 14.507 -8.284 1.00 0.00 O ATOM 0 H GLU A 3 -7.383 11.896 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.324 9.236 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.166 10.171 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.911 11.023 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.721 12.083 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.405 12.374 -8.977 1.00 0.00 H new ATOM 54 N ASP A 4 -6.544 10.235 -9.461 1.00 0.00 N ATOM 55 CA ASP A 4 -5.825 9.831 -10.690 1.00 0.00 C ATOM 56 C ASP A 4 -4.706 8.811 -10.377 1.00 0.00 C ATOM 57 O ASP A 4 -4.210 8.127 -11.272 1.00 0.00 O ATOM 58 CB ASP A 4 -5.240 11.087 -11.379 1.00 0.00 C ATOM 59 CG ASP A 4 -6.318 12.144 -11.671 1.00 0.00 C ATOM 60 OD1 ASP A 4 -7.027 12.022 -12.695 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.482 13.081 -10.863 1.00 0.00 O ATOM 0 H ASP A 4 -6.172 11.086 -9.039 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.531 9.344 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.469 11.523 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.757 10.796 -12.312 1.00 0.00 H new ATOM 66 N TYR A 5 -4.320 8.729 -9.093 1.00 0.00 N ATOM 67 CA TYR A 5 -3.264 7.815 -8.591 1.00 0.00 C ATOM 68 C TYR A 5 -3.880 6.515 -8.023 1.00 0.00 C ATOM 69 O TYR A 5 -3.180 5.699 -7.398 1.00 0.00 O ATOM 70 CB TYR A 5 -2.420 8.537 -7.504 1.00 0.00 C ATOM 71 CG TYR A 5 -1.633 9.761 -8.018 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.288 10.942 -8.401 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.240 9.736 -8.122 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.587 12.035 -8.867 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.464 10.833 -8.588 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.212 11.978 -8.957 1.00 0.00 C ATOM 77 OH TYR A 5 0.488 13.075 -9.410 1.00 0.00 O ATOM 0 H TYR A 5 -4.735 9.302 -8.358 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.616 7.541 -9.424 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.083 8.858 -6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.718 7.823 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.364 10.996 -8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.297 8.845 -7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.113 12.932 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.541 10.793 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 5 1.447 12.873 -9.413 1.00 0.00 H new ATOM 87 N ALA A 6 -5.195 6.342 -8.247 1.00 0.00 N ATOM 88 CA ALA A 6 -5.947 5.159 -7.814 1.00 0.00 C ATOM 89 C ALA A 6 -5.713 4.002 -8.784 1.00 0.00 C ATOM 90 O ALA A 6 -6.075 4.094 -9.960 1.00 0.00 O ATOM 91 CB ALA A 6 -7.446 5.486 -7.720 1.00 0.00 C ATOM 0 H ALA A 6 -5.767 7.028 -8.739 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.595 4.861 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.992 4.600 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.599 6.289 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.811 5.802 -8.697 1.00 0.00 H new ATOM 97 N ILE A 7 -5.081 2.930 -8.296 1.00 0.00 N ATOM 98 CA ILE A 7 -4.858 1.701 -9.071 1.00 0.00 C ATOM 99 C ILE A 7 -5.748 0.588 -8.488 1.00 0.00 C ATOM 100 O ILE A 7 -5.923 0.504 -7.262 1.00 0.00 O ATOM 101 CB ILE A 7 -3.338 1.270 -9.052 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.420 2.497 -9.393 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.079 0.091 -10.034 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.929 2.207 -9.418 1.00 0.00 C ATOM 0 H ILE A 7 -4.707 2.888 -7.348 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.122 1.882 -10.113 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.092 0.924 -8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.713 2.889 -10.367 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.608 3.284 -8.663 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.025 -0.185 -10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.688 -0.765 -9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.342 0.396 -11.047 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.385 3.119 -9.663 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.612 1.847 -8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.719 1.446 -10.170 1.00 0.00 H new ATOM 116 N SER A 8 -6.345 -0.226 -9.368 1.00 0.00 N ATOM 117 CA SER A 8 -7.183 -1.376 -8.978 1.00 0.00 C ATOM 118 C SER A 8 -6.371 -2.684 -9.063 1.00 0.00 C ATOM 119 O SER A 8 -5.391 -2.756 -9.809 1.00 0.00 O ATOM 120 CB SER A 8 -8.406 -1.441 -9.909 1.00 0.00 C ATOM 121 OG SER A 8 -9.133 -0.222 -9.887 1.00 0.00 O ATOM 0 H SER A 8 -6.262 -0.108 -10.378 1.00 0.00 H new ATOM 0 HA SER A 8 -7.517 -1.252 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.080 -1.655 -10.927 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.056 -2.261 -9.603 1.00 0.00 H new ATOM 0 HG SER A 8 -9.904 -0.290 -10.488 1.00 0.00 H new ATOM 127 N LEU A 9 -6.786 -3.709 -8.295 1.00 0.00 N ATOM 128 CA LEU A 9 -6.146 -5.047 -8.306 1.00 0.00 C ATOM 129 C LEU A 9 -6.218 -5.714 -9.709 1.00 0.00 C ATOM 130 O LEU A 9 -5.291 -6.432 -10.114 1.00 0.00 O ATOM 131 CB LEU A 9 -6.789 -5.951 -7.214 1.00 0.00 C ATOM 132 CG LEU A 9 -6.369 -7.458 -7.196 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.836 -7.641 -7.086 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.103 -8.219 -6.071 1.00 0.00 C ATOM 0 H LEU A 9 -7.572 -3.638 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.088 -4.919 -8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.554 -5.523 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.872 -5.903 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.668 -7.885 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.596 -8.704 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.351 -7.166 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.480 -7.181 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.795 -9.265 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.854 -7.774 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.179 -8.157 -6.232 1.00 0.00 H new ATOM 146 N GLU A 10 -7.295 -5.423 -10.453 1.00 0.00 N ATOM 147 CA GLU A 10 -7.522 -5.978 -11.808 1.00 0.00 C ATOM 148 C GLU A 10 -6.469 -5.491 -12.833 1.00 0.00 C ATOM 149 O GLU A 10 -6.253 -6.137 -13.864 1.00 0.00 O ATOM 150 CB GLU A 10 -8.943 -5.612 -12.307 1.00 0.00 C ATOM 151 CG GLU A 10 -9.171 -4.100 -12.538 1.00 0.00 C ATOM 152 CD GLU A 10 -10.528 -3.785 -13.179 1.00 0.00 C ATOM 153 OE1 GLU A 10 -10.689 -4.038 -14.391 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.444 -3.307 -12.479 1.00 0.00 O ATOM 0 H GLU A 10 -8.037 -4.797 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.424 -7.061 -11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.135 -6.142 -13.240 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.673 -5.970 -11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.097 -3.578 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.376 -3.713 -13.176 1.00 0.00 H new ATOM 161 N GLU A 11 -5.806 -4.363 -12.536 1.00 0.00 N ATOM 162 CA GLU A 11 -4.885 -3.691 -13.481 1.00 0.00 C ATOM 163 C GLU A 11 -3.472 -3.521 -12.890 1.00 0.00 C ATOM 164 O GLU A 11 -2.571 -3.034 -13.582 1.00 0.00 O ATOM 165 CB GLU A 11 -5.467 -2.302 -13.861 1.00 0.00 C ATOM 166 CG GLU A 11 -5.662 -1.352 -12.658 1.00 0.00 C ATOM 167 CD GLU A 11 -6.059 0.078 -13.035 1.00 0.00 C ATOM 168 OE1 GLU A 11 -5.353 0.703 -13.859 1.00 0.00 O ATOM 169 OE2 GLU A 11 -7.046 0.599 -12.479 1.00 0.00 O ATOM 0 H GLU A 11 -5.889 -3.888 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.794 -4.319 -14.367 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.803 -1.826 -14.583 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.427 -2.445 -14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.428 -1.768 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.736 -1.319 -12.084 1.00 0.00 H new ATOM 176 N VAL A 12 -3.270 -3.925 -11.625 1.00 0.00 N ATOM 177 CA VAL A 12 -2.024 -3.617 -10.892 1.00 0.00 C ATOM 178 C VAL A 12 -0.873 -4.579 -11.258 1.00 0.00 C ATOM 179 O VAL A 12 -1.099 -5.716 -11.688 1.00 0.00 O ATOM 180 CB VAL A 12 -2.249 -3.645 -9.333 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.477 -5.075 -8.801 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.098 -2.943 -8.578 1.00 0.00 C ATOM 0 H VAL A 12 -3.949 -4.464 -11.087 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.739 -2.610 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.163 -3.083 -9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.627 -5.042 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.359 -5.504 -9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.606 -5.691 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.289 -2.983 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.157 -3.448 -8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.035 -1.903 -8.897 1.00 0.00 H new ATOM 192 N ASN A 13 0.355 -4.072 -11.102 1.00 0.00 N ATOM 193 CA ASN A 13 1.593 -4.858 -11.115 1.00 0.00 C ATOM 194 C ASN A 13 2.371 -4.500 -9.840 1.00 0.00 C ATOM 195 O ASN A 13 3.083 -3.505 -9.827 1.00 0.00 O ATOM 196 CB ASN A 13 2.436 -4.532 -12.382 1.00 0.00 C ATOM 197 CG ASN A 13 1.714 -4.851 -13.695 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.821 -5.955 -14.221 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.957 -3.893 -14.224 1.00 0.00 N ATOM 0 H ASN A 13 0.519 -3.075 -10.959 1.00 0.00 H new ATOM 0 HA ASN A 13 1.371 -5.925 -11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.701 -3.475 -12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.368 -5.095 -12.343 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.446 -4.066 -15.090 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.888 -2.985 -13.764 1.00 0.00 H new ATOM 206 N PHE A 14 2.182 -5.274 -8.748 1.00 0.00 N ATOM 207 CA PHE A 14 2.853 -4.997 -7.448 1.00 0.00 C ATOM 208 C PHE A 14 4.390 -4.994 -7.589 1.00 0.00 C ATOM 209 O PHE A 14 5.078 -4.209 -6.940 1.00 0.00 O ATOM 210 CB PHE A 14 2.425 -6.021 -6.361 1.00 0.00 C ATOM 211 CG PHE A 14 0.969 -5.896 -5.920 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.545 -4.788 -5.209 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.034 -6.878 -6.211 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.765 -4.666 -4.802 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.276 -6.761 -5.806 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.677 -5.651 -5.104 1.00 0.00 C ATOM 0 H PHE A 14 1.574 -6.093 -8.736 1.00 0.00 H new ATOM 0 HA PHE A 14 2.535 -4.002 -7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.592 -7.029 -6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.068 -5.899 -5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.252 -4.007 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.340 -7.752 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.077 -3.795 -4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.987 -7.540 -6.040 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.705 -5.551 -4.790 1.00 0.00 H new ATOM 226 N ASN A 15 4.896 -5.843 -8.491 1.00 0.00 N ATOM 227 CA ASN A 15 6.343 -5.992 -8.755 1.00 0.00 C ATOM 228 C ASN A 15 6.941 -4.747 -9.464 1.00 0.00 C ATOM 229 O ASN A 15 8.165 -4.619 -9.574 1.00 0.00 O ATOM 230 CB ASN A 15 6.578 -7.269 -9.601 1.00 0.00 C ATOM 231 CG ASN A 15 6.054 -8.550 -8.933 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.038 -8.677 -7.708 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.607 -9.502 -9.737 1.00 0.00 N ATOM 0 H ASN A 15 4.314 -6.453 -9.065 1.00 0.00 H new ATOM 0 HA ASN A 15 6.856 -6.083 -7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.092 -7.149 -10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.646 -7.378 -9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.237 -10.368 -9.345 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.632 -9.369 -10.748 1.00 0.00 H new ATOM 240 N ASP A 16 6.057 -3.843 -9.933 1.00 0.00 N ATOM 241 CA ASP A 16 6.437 -2.591 -10.632 1.00 0.00 C ATOM 242 C ASP A 16 6.713 -1.461 -9.623 1.00 0.00 C ATOM 243 O ASP A 16 7.563 -0.599 -9.863 1.00 0.00 O ATOM 244 CB ASP A 16 5.297 -2.172 -11.615 1.00 0.00 C ATOM 245 CG ASP A 16 5.629 -0.964 -12.510 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.726 -0.942 -13.112 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.803 -0.029 -12.622 1.00 0.00 O ATOM 0 H ASP A 16 5.048 -3.960 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 16 7.352 -2.770 -11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.055 -3.023 -12.252 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.403 -1.942 -11.036 1.00 0.00 H new ATOM 252 N PHE A 17 5.995 -1.480 -8.480 1.00 0.00 N ATOM 253 CA PHE A 17 6.073 -0.406 -7.460 1.00 0.00 C ATOM 254 C PHE A 17 6.715 -0.961 -6.183 1.00 0.00 C ATOM 255 O PHE A 17 6.646 -2.170 -5.917 1.00 0.00 O ATOM 256 CB PHE A 17 4.655 0.151 -7.113 1.00 0.00 C ATOM 257 CG PHE A 17 3.726 0.301 -8.317 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.787 1.416 -9.147 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.823 -0.709 -8.638 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.965 1.520 -10.248 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.009 -0.607 -9.740 1.00 0.00 C ATOM 262 CZ PHE A 17 2.082 0.500 -10.548 1.00 0.00 C ATOM 0 H PHE A 17 5.350 -2.232 -8.237 1.00 0.00 H new ATOM 0 HA PHE A 17 6.675 0.406 -7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.185 -0.512 -6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.767 1.123 -6.632 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.486 2.209 -8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.762 -1.586 -8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.011 2.398 -10.876 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.311 -1.398 -9.971 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.448 0.574 -11.420 1.00 0.00 H new ATOM 272 N ILE A 18 7.348 -0.082 -5.401 1.00 0.00 N ATOM 273 CA ILE A 18 7.753 -0.395 -4.028 1.00 0.00 C ATOM 274 C ILE A 18 6.492 -0.294 -3.160 1.00 0.00 C ATOM 275 O ILE A 18 6.034 0.808 -2.836 1.00 0.00 O ATOM 276 CB ILE A 18 8.874 0.583 -3.507 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.075 0.634 -4.519 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.346 0.170 -2.084 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.187 1.603 -4.156 1.00 0.00 C ATOM 0 H ILE A 18 7.593 0.862 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 18 8.183 -1.395 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 18 8.455 1.587 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.500 -0.366 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.689 0.901 -5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.120 0.858 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.501 0.205 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.748 -0.843 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.967 1.563 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.785 2.615 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.608 1.328 -3.189 1.00 0.00 H new ATOM 291 N VAL A 19 5.922 -1.452 -2.815 1.00 0.00 N ATOM 292 CA VAL A 19 4.593 -1.525 -2.202 1.00 0.00 C ATOM 293 C VAL A 19 4.725 -1.239 -0.699 1.00 0.00 C ATOM 294 O VAL A 19 5.806 -1.406 -0.130 1.00 0.00 O ATOM 295 CB VAL A 19 3.931 -2.939 -2.472 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.452 -2.991 -2.036 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.060 -3.340 -3.960 1.00 0.00 C ATOM 0 H VAL A 19 6.366 -2.360 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 19 3.937 -0.777 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 19 4.479 -3.657 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.046 -3.981 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.380 -2.785 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.883 -2.243 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.597 -4.314 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.560 -2.597 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.114 -3.391 -4.233 1.00 0.00 H new ATOM 307 N VAL A 20 3.643 -0.751 -0.085 1.00 0.00 N ATOM 308 CA VAL A 20 3.561 -0.505 1.364 1.00 0.00 C ATOM 309 C VAL A 20 2.258 -1.108 1.892 1.00 0.00 C ATOM 310 O VAL A 20 1.181 -0.789 1.384 1.00 0.00 O ATOM 311 CB VAL A 20 3.613 1.036 1.717 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.406 1.296 3.229 1.00 0.00 C ATOM 313 CG2 VAL A 20 4.931 1.684 1.239 1.00 0.00 C ATOM 0 H VAL A 20 2.786 -0.511 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 20 4.425 -0.973 1.835 1.00 0.00 H new ATOM 0 HB VAL A 20 2.786 1.502 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.450 2.368 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.433 0.911 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.189 0.792 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.931 2.743 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.775 1.192 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.019 1.576 0.158 1.00 0.00 H new ATOM 323 N ASP A 21 2.361 -1.992 2.895 1.00 0.00 N ATOM 324 CA ASP A 21 1.189 -2.492 3.625 1.00 0.00 C ATOM 325 C ASP A 21 0.783 -1.399 4.618 1.00 0.00 C ATOM 326 O ASP A 21 1.464 -1.237 5.630 1.00 0.00 O ATOM 327 CB ASP A 21 1.542 -3.828 4.366 1.00 0.00 C ATOM 328 CG ASP A 21 0.301 -4.598 4.867 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.280 -4.231 5.909 1.00 0.00 O ATOM 330 OD2 ASP A 21 -0.099 -5.583 4.198 1.00 0.00 O ATOM 0 H ASP A 21 3.248 -2.376 3.220 1.00 0.00 H new ATOM 0 HA ASP A 21 0.365 -2.712 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.111 -4.469 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.189 -3.604 5.215 1.00 0.00 H new ATOM 335 N VAL A 22 -0.289 -0.631 4.294 1.00 0.00 N ATOM 336 CA VAL A 22 -0.774 0.482 5.144 1.00 0.00 C ATOM 337 C VAL A 22 -1.906 -0.002 6.046 1.00 0.00 C ATOM 338 O VAL A 22 -3.100 0.173 5.750 1.00 0.00 O ATOM 339 CB VAL A 22 -1.226 1.756 4.316 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.003 2.512 3.775 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.193 1.379 3.160 1.00 0.00 C ATOM 0 H VAL A 22 -0.836 -0.766 3.443 1.00 0.00 H new ATOM 0 HA VAL A 22 0.071 0.801 5.754 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.770 2.413 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.326 3.384 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.627 2.835 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.578 1.853 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.479 2.280 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.695 0.688 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.084 0.904 3.571 1.00 0.00 H new ATOM 351 N ARG A 23 -1.523 -0.625 7.160 1.00 0.00 N ATOM 352 CA ARG A 23 -2.481 -1.197 8.117 1.00 0.00 C ATOM 353 C ARG A 23 -1.860 -1.148 9.526 1.00 0.00 C ATOM 354 O ARG A 23 -1.982 -0.116 10.198 1.00 0.00 O ATOM 355 CB ARG A 23 -2.927 -2.644 7.709 1.00 0.00 C ATOM 356 CG ARG A 23 -3.826 -2.763 6.444 1.00 0.00 C ATOM 357 CD ARG A 23 -4.298 -4.207 6.161 1.00 0.00 C ATOM 358 NE ARG A 23 -3.187 -5.119 5.826 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.180 -6.450 6.029 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.168 -7.048 6.696 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.148 -7.158 5.619 1.00 0.00 N ATOM 0 H ARG A 23 -0.547 -0.749 7.427 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.394 -0.602 8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.032 -3.245 7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.461 -3.086 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.698 -2.121 6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.275 -2.393 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.825 -4.590 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.013 -4.196 5.338 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.354 -4.706 5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.944 -6.496 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.147 -8.057 6.841 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.366 -6.697 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.131 -8.167 5.767 1.00 0.00 H new ATOM 375 N GLU A 24 -1.151 -2.229 9.937 1.00 0.00 N ATOM 376 CA GLU A 24 -0.458 -2.334 11.255 1.00 0.00 C ATOM 377 C GLU A 24 0.634 -3.423 11.192 1.00 0.00 C ATOM 378 O GLU A 24 0.800 -4.090 10.162 1.00 0.00 O ATOM 379 CB GLU A 24 -1.437 -2.682 12.434 1.00 0.00 C ATOM 380 CG GLU A 24 -2.376 -1.552 12.898 1.00 0.00 C ATOM 381 CD GLU A 24 -3.156 -1.918 14.169 1.00 0.00 C ATOM 382 OE1 GLU A 24 -4.176 -2.630 14.064 1.00 0.00 O ATOM 383 OE2 GLU A 24 -2.736 -1.516 15.276 1.00 0.00 O ATOM 0 H GLU A 24 -1.041 -3.063 9.360 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.024 -1.354 11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.048 -3.532 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.842 -3.005 13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.791 -0.651 13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.079 -1.318 12.099 1.00 0.00 H new ATOM 390 N LEU A 25 1.370 -3.597 12.316 1.00 0.00 N ATOM 391 CA LEU A 25 2.283 -4.744 12.517 1.00 0.00 C ATOM 392 C LEU A 25 1.472 -6.052 12.574 1.00 0.00 C ATOM 393 O LEU A 25 1.827 -7.023 11.917 1.00 0.00 O ATOM 394 CB LEU A 25 3.114 -4.561 13.820 1.00 0.00 C ATOM 395 CG LEU A 25 3.924 -5.806 14.334 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.967 -6.291 13.304 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.588 -5.513 15.700 1.00 0.00 C ATOM 0 H LEU A 25 1.347 -2.949 13.104 1.00 0.00 H new ATOM 0 HA LEU A 25 2.976 -4.793 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.816 -3.743 13.661 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.435 -4.248 14.613 1.00 0.00 H new ATOM 0 HG LEU A 25 3.208 -6.617 14.469 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.501 -7.153 13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.462 -6.575 12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.676 -5.489 13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.142 -6.392 16.031 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.272 -4.670 15.599 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.819 -5.271 16.434 1.00 0.00 H new ATOM 409 N ASP A 26 0.363 -6.026 13.333 1.00 0.00 N ATOM 410 CA ASP A 26 -0.566 -7.174 13.496 1.00 0.00 C ATOM 411 C ASP A 26 -1.059 -7.693 12.130 1.00 0.00 C ATOM 412 O ASP A 26 -1.178 -8.906 11.898 1.00 0.00 O ATOM 413 CB ASP A 26 -1.768 -6.736 14.383 1.00 0.00 C ATOM 414 CG ASP A 26 -2.700 -7.901 14.771 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.330 -8.684 15.675 1.00 0.00 O ATOM 416 OD2 ASP A 26 -3.797 -8.045 14.189 1.00 0.00 O ATOM 0 H ASP A 26 0.077 -5.201 13.860 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.034 -7.992 13.981 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.388 -6.267 15.291 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.346 -5.980 13.851 1.00 0.00 H new ATOM 421 N GLU A 27 -1.261 -6.730 11.230 1.00 0.00 N ATOM 422 CA GLU A 27 -1.791 -6.952 9.887 1.00 0.00 C ATOM 423 C GLU A 27 -0.695 -7.448 8.915 1.00 0.00 C ATOM 424 O GLU A 27 -0.976 -8.170 7.954 1.00 0.00 O ATOM 425 CB GLU A 27 -2.415 -5.636 9.403 1.00 0.00 C ATOM 426 CG GLU A 27 -3.461 -5.033 10.364 1.00 0.00 C ATOM 427 CD GLU A 27 -4.642 -5.967 10.654 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.309 -6.387 9.700 1.00 0.00 O ATOM 429 OE2 GLU A 27 -4.932 -6.253 11.828 1.00 0.00 O ATOM 0 H GLU A 27 -1.055 -5.750 11.421 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.548 -7.736 9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.620 -4.907 9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.885 -5.806 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.973 -4.777 11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.840 -4.104 9.938 1.00 0.00 H new ATOM 436 N TYR A 28 0.553 -7.037 9.177 1.00 0.00 N ATOM 437 CA TYR A 28 1.743 -7.535 8.468 1.00 0.00 C ATOM 438 C TYR A 28 1.947 -9.037 8.770 1.00 0.00 C ATOM 439 O TYR A 28 2.213 -9.842 7.861 1.00 0.00 O ATOM 440 CB TYR A 28 2.971 -6.697 8.913 1.00 0.00 C ATOM 441 CG TYR A 28 4.347 -7.170 8.399 1.00 0.00 C ATOM 442 CD1 TYR A 28 5.118 -8.086 9.129 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.883 -6.677 7.211 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.357 -8.490 8.687 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.127 -7.082 6.769 1.00 0.00 C ATOM 446 CZ TYR A 28 6.857 -7.987 7.509 1.00 0.00 C ATOM 447 OH TYR A 28 8.092 -8.393 7.059 1.00 0.00 O ATOM 0 H TYR A 28 0.769 -6.343 9.893 1.00 0.00 H new ATOM 0 HA TYR A 28 1.615 -7.430 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.819 -5.668 8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.999 -6.684 10.003 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.732 -8.482 10.056 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.317 -5.967 6.627 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.934 -9.199 9.263 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.527 -6.690 5.845 1.00 0.00 H new ATOM 0 HH TYR A 28 8.129 -9.372 7.045 1.00 0.00 H new ATOM 457 N GLU A 29 1.794 -9.384 10.062 1.00 0.00 N ATOM 458 CA GLU A 29 2.077 -10.730 10.590 1.00 0.00 C ATOM 459 C GLU A 29 1.096 -11.780 10.035 1.00 0.00 C ATOM 460 O GLU A 29 1.530 -12.858 9.615 1.00 0.00 O ATOM 461 CB GLU A 29 2.020 -10.727 12.142 1.00 0.00 C ATOM 462 CG GLU A 29 2.985 -9.748 12.836 1.00 0.00 C ATOM 463 CD GLU A 29 2.787 -9.709 14.360 1.00 0.00 C ATOM 464 OE1 GLU A 29 1.960 -8.910 14.844 1.00 0.00 O ATOM 465 OE2 GLU A 29 3.432 -10.494 15.079 1.00 0.00 O ATOM 0 H GLU A 29 1.467 -8.731 10.774 1.00 0.00 H new ATOM 0 HA GLU A 29 3.081 -11.001 10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.002 -10.488 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.233 -11.735 12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.012 -10.036 12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.839 -8.748 12.428 1.00 0.00 H new ATOM 472 N GLU A 30 -0.222 -11.454 10.040 1.00 0.00 N ATOM 473 CA GLU A 30 -1.276 -12.377 9.550 1.00 0.00 C ATOM 474 C GLU A 30 -1.025 -12.788 8.071 1.00 0.00 C ATOM 475 O GLU A 30 -0.972 -13.987 7.758 1.00 0.00 O ATOM 476 CB GLU A 30 -2.697 -11.752 9.741 1.00 0.00 C ATOM 477 CG GLU A 30 -2.857 -10.327 9.186 1.00 0.00 C ATOM 478 CD GLU A 30 -4.295 -9.777 9.221 1.00 0.00 C ATOM 479 OE1 GLU A 30 -4.845 -9.595 10.314 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.892 -9.549 8.143 1.00 0.00 O ATOM 0 H GLU A 30 -0.579 -10.560 10.378 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.232 -13.287 10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.430 -12.399 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.933 -11.741 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.213 -9.656 9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.502 -10.312 8.155 1.00 0.00 H new ATOM 487 N LEU A 31 -0.811 -11.777 7.199 1.00 0.00 N ATOM 488 CA LEU A 31 -0.448 -11.962 5.777 1.00 0.00 C ATOM 489 C LEU A 31 -0.154 -10.601 5.136 1.00 0.00 C ATOM 490 O LEU A 31 -0.784 -9.596 5.484 1.00 0.00 O ATOM 491 CB LEU A 31 -1.514 -12.779 4.948 1.00 0.00 C ATOM 492 CG LEU A 31 -2.943 -12.186 4.621 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.603 -11.493 5.819 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.953 -11.277 3.375 1.00 0.00 C ATOM 0 H LEU A 31 -0.887 -10.796 7.468 1.00 0.00 H new ATOM 0 HA LEU A 31 0.453 -12.574 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.049 -13.028 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.675 -13.717 5.478 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.554 -13.058 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.580 -11.110 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.724 -12.209 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.975 -10.667 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.963 -10.903 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.276 -10.437 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.627 -11.848 2.506 1.00 0.00 H new ATOM 506 N HIS A 32 0.784 -10.587 4.183 1.00 0.00 N ATOM 507 CA HIS A 32 1.197 -9.361 3.479 1.00 0.00 C ATOM 508 C HIS A 32 1.957 -9.740 2.197 1.00 0.00 C ATOM 509 O HIS A 32 2.433 -10.869 2.067 1.00 0.00 O ATOM 510 CB HIS A 32 2.097 -8.478 4.400 1.00 0.00 C ATOM 511 CG HIS A 32 3.465 -9.065 4.660 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.670 -10.203 5.404 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.686 -8.702 4.202 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.951 -10.509 5.378 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.586 -9.619 4.663 1.00 0.00 N ATOM 0 H HIS A 32 1.280 -11.423 3.876 1.00 0.00 H new ATOM 0 HA HIS A 32 0.310 -8.785 3.216 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.214 -7.495 3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.589 -8.328 5.353 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.946 -10.726 5.897 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.908 -7.844 3.585 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.403 -11.358 5.868 1.00 0.00 H new ATOM 524 N LEU A 33 2.073 -8.781 1.269 1.00 0.00 N ATOM 525 CA LEU A 33 2.912 -8.926 0.059 1.00 0.00 C ATOM 526 C LEU A 33 4.404 -8.895 0.434 1.00 0.00 C ATOM 527 O LEU A 33 4.784 -8.118 1.306 1.00 0.00 O ATOM 528 CB LEU A 33 2.595 -7.778 -0.927 1.00 0.00 C ATOM 529 CG LEU A 33 1.197 -7.842 -1.596 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.789 -6.461 -2.136 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.145 -8.915 -2.716 1.00 0.00 C ATOM 0 H LEU A 33 1.592 -7.884 1.330 1.00 0.00 H new ATOM 0 HA LEU A 33 2.692 -9.884 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.681 -6.831 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.354 -7.774 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 33 0.479 -8.137 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.194 -6.528 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.754 -5.745 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.518 -6.129 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.150 -8.929 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.881 -8.676 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.367 -9.894 -2.292 1.00 0.00 H new ATOM 543 N PRO A 34 5.277 -9.694 -0.245 1.00 0.00 N ATOM 544 CA PRO A 34 6.726 -9.723 0.061 1.00 0.00 C ATOM 545 C PRO A 34 7.409 -8.370 -0.295 1.00 0.00 C ATOM 546 O PRO A 34 8.409 -7.988 0.315 1.00 0.00 O ATOM 547 CB PRO A 34 7.251 -10.901 -0.809 1.00 0.00 C ATOM 548 CG PRO A 34 6.275 -11.000 -1.947 1.00 0.00 C ATOM 549 CD PRO A 34 4.930 -10.600 -1.376 1.00 0.00 C ATOM 0 HA PRO A 34 6.941 -9.863 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.261 -10.707 -1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.289 -11.829 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.563 -10.342 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.244 -12.013 -2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.315 -10.093 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.367 -11.468 -1.034 1.00 0.00 H new ATOM 557 N ASN A 35 6.801 -7.642 -1.265 1.00 0.00 N ATOM 558 CA ASN A 35 7.273 -6.318 -1.741 1.00 0.00 C ATOM 559 C ASN A 35 6.653 -5.166 -0.917 1.00 0.00 C ATOM 560 O ASN A 35 6.938 -3.981 -1.184 1.00 0.00 O ATOM 561 CB ASN A 35 6.897 -6.140 -3.241 1.00 0.00 C ATOM 562 CG ASN A 35 7.449 -7.243 -4.153 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.542 -7.765 -3.936 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.681 -7.618 -5.162 1.00 0.00 N ATOM 0 H ASN A 35 5.959 -7.962 -1.744 1.00 0.00 H new ATOM 0 HA ASN A 35 8.355 -6.281 -1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.811 -6.115 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.269 -5.176 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.989 -8.361 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.780 -7.164 -5.313 1.00 0.00 H new ATOM 571 N ALA A 36 5.782 -5.517 0.050 1.00 0.00 N ATOM 572 CA ALA A 36 5.115 -4.540 0.933 1.00 0.00 C ATOM 573 C ALA A 36 6.029 -4.124 2.102 1.00 0.00 C ATOM 574 O ALA A 36 6.611 -4.973 2.789 1.00 0.00 O ATOM 575 CB ALA A 36 3.774 -5.081 1.461 1.00 0.00 C ATOM 0 H ALA A 36 5.522 -6.485 0.241 1.00 0.00 H new ATOM 0 HA ALA A 36 4.908 -3.654 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.310 -4.336 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.112 -5.295 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.948 -5.995 2.028 1.00 0.00 H new ATOM 581 N THR A 37 6.140 -2.803 2.293 1.00 0.00 N ATOM 582 CA THR A 37 6.862 -2.172 3.398 1.00 0.00 C ATOM 583 C THR A 37 5.903 -2.033 4.588 1.00 0.00 C ATOM 584 O THR A 37 4.750 -1.618 4.406 1.00 0.00 O ATOM 585 CB THR A 37 7.379 -0.756 2.964 1.00 0.00 C ATOM 586 OG1 THR A 37 8.202 -0.877 1.789 1.00 0.00 O ATOM 587 CG2 THR A 37 8.171 -0.038 4.075 1.00 0.00 C ATOM 0 H THR A 37 5.715 -2.125 1.661 1.00 0.00 H new ATOM 0 HA THR A 37 7.720 -2.783 3.677 1.00 0.00 H new ATOM 0 HB THR A 37 6.499 -0.149 2.753 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.634 -1.042 1.007 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.502 0.936 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.533 0.096 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.039 -0.638 4.349 1.00 0.00 H new ATOM 595 N LEU A 38 6.362 -2.395 5.793 1.00 0.00 N ATOM 596 CA LEU A 38 5.536 -2.315 7.003 1.00 0.00 C ATOM 597 C LEU A 38 5.432 -0.843 7.433 1.00 0.00 C ATOM 598 O LEU A 38 6.393 -0.286 7.993 1.00 0.00 O ATOM 599 CB LEU A 38 6.142 -3.174 8.159 1.00 0.00 C ATOM 600 CG LEU A 38 5.150 -3.721 9.251 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.923 -4.455 10.364 1.00 0.00 C ATOM 602 CD2 LEU A 38 4.211 -2.644 9.851 1.00 0.00 C ATOM 0 H LEU A 38 7.305 -2.748 5.955 1.00 0.00 H new ATOM 0 HA LEU A 38 4.545 -2.712 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.655 -4.026 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.900 -2.574 8.663 1.00 0.00 H new ATOM 0 HG LEU A 38 4.496 -4.424 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.221 -4.826 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.472 -5.293 9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.623 -3.766 10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.560 -3.103 10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.808 -1.863 10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.604 -2.207 9.058 1.00 0.00 H new ATOM 614 N ILE A 39 4.280 -0.219 7.142 1.00 0.00 N ATOM 615 CA ILE A 39 3.916 1.084 7.715 1.00 0.00 C ATOM 616 C ILE A 39 2.437 1.054 8.095 1.00 0.00 C ATOM 617 O ILE A 39 1.578 0.659 7.307 1.00 0.00 O ATOM 618 CB ILE A 39 4.178 2.303 6.746 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.662 2.343 6.258 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.806 3.640 7.437 1.00 0.00 C ATOM 621 CD1 ILE A 39 6.000 3.450 5.266 1.00 0.00 C ATOM 0 H ILE A 39 3.579 -0.601 6.507 1.00 0.00 H new ATOM 0 HA ILE A 39 4.555 1.239 8.584 1.00 0.00 H new ATOM 0 HB ILE A 39 3.542 2.167 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.309 2.450 7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.901 1.383 5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.994 4.468 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.751 3.627 7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.412 3.767 8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.054 3.386 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.387 3.337 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.802 4.420 5.722 1.00 0.00 H new ATOM 633 N SER A 40 2.140 1.494 9.299 1.00 0.00 N ATOM 634 CA SER A 40 0.765 1.624 9.750 1.00 0.00 C ATOM 635 C SER A 40 0.155 2.875 9.094 1.00 0.00 C ATOM 636 O SER A 40 0.807 3.924 9.049 1.00 0.00 O ATOM 637 CB SER A 40 0.706 1.711 11.284 1.00 0.00 C ATOM 638 OG SER A 40 1.384 0.617 11.893 1.00 0.00 O ATOM 0 H SER A 40 2.837 1.771 9.991 1.00 0.00 H new ATOM 0 HA SER A 40 0.189 0.746 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.154 2.648 11.614 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.334 1.723 11.610 1.00 0.00 H new ATOM 0 HG SER A 40 1.331 0.701 12.868 1.00 0.00 H new ATOM 644 N VAL A 41 -1.078 2.739 8.557 1.00 0.00 N ATOM 645 CA VAL A 41 -1.864 3.873 8.013 1.00 0.00 C ATOM 646 C VAL A 41 -2.005 5.007 9.068 1.00 0.00 C ATOM 647 O VAL A 41 -2.157 6.176 8.716 1.00 0.00 O ATOM 648 CB VAL A 41 -3.287 3.388 7.530 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.081 2.741 8.692 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.088 4.532 6.850 1.00 0.00 C ATOM 0 H VAL A 41 -1.557 1.841 8.488 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.326 4.272 7.153 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.131 2.620 6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.057 2.417 8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.531 1.881 9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.215 3.470 9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.061 4.156 6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.228 5.349 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.538 4.895 5.982 1.00 0.00 H new ATOM 660 N ASN A 42 -1.908 4.611 10.357 1.00 0.00 N ATOM 661 CA ASN A 42 -1.929 5.508 11.526 1.00 0.00 C ATOM 662 C ASN A 42 -0.734 6.495 11.505 1.00 0.00 C ATOM 663 O ASN A 42 -0.890 7.677 11.820 1.00 0.00 O ATOM 664 CB ASN A 42 -1.882 4.657 12.827 1.00 0.00 C ATOM 665 CG ASN A 42 -2.966 3.566 12.886 1.00 0.00 C ATOM 666 OD1 ASN A 42 -4.064 3.734 12.364 1.00 0.00 O ATOM 667 ND2 ASN A 42 -2.651 2.429 13.497 1.00 0.00 N ATOM 0 H ASN A 42 -1.810 3.629 10.616 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.848 6.093 11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.901 4.189 12.910 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.994 5.317 13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.329 1.669 13.541 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.731 2.317 13.922 1.00 0.00 H new ATOM 674 N ASP A 43 0.454 5.976 11.126 1.00 0.00 N ATOM 675 CA ASP A 43 1.713 6.748 11.082 1.00 0.00 C ATOM 676 C ASP A 43 1.852 7.487 9.743 1.00 0.00 C ATOM 677 O ASP A 43 2.418 6.951 8.781 1.00 0.00 O ATOM 678 CB ASP A 43 2.952 5.825 11.313 1.00 0.00 C ATOM 679 CG ASP A 43 2.997 5.182 12.706 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.384 4.111 12.896 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.647 5.737 13.616 1.00 0.00 O ATOM 0 H ASP A 43 0.566 5.003 10.840 1.00 0.00 H new ATOM 0 HA ASP A 43 1.676 7.481 11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.951 5.037 10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.860 6.408 11.163 1.00 0.00 H new ATOM 686 N GLN A 44 1.311 8.714 9.683 1.00 0.00 N ATOM 687 CA GLN A 44 1.560 9.637 8.560 1.00 0.00 C ATOM 688 C GLN A 44 3.036 10.063 8.534 1.00 0.00 C ATOM 689 O GLN A 44 3.585 10.331 7.476 1.00 0.00 O ATOM 690 CB GLN A 44 0.663 10.910 8.623 1.00 0.00 C ATOM 691 CG GLN A 44 -0.804 10.704 8.218 1.00 0.00 C ATOM 692 CD GLN A 44 -1.665 10.057 9.297 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.254 10.744 10.136 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.767 8.749 9.273 1.00 0.00 N ATOM 0 H GLN A 44 0.695 9.093 10.402 1.00 0.00 H new ATOM 0 HA GLN A 44 1.309 9.094 7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.690 11.302 9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.097 11.672 7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.236 11.670 7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.838 10.085 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.266 8.211 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.347 8.270 9.962 1.00 0.00 H new ATOM 703 N GLU A 45 3.645 10.134 9.721 1.00 0.00 N ATOM 704 CA GLU A 45 5.045 10.555 9.892 1.00 0.00 C ATOM 705 C GLU A 45 6.043 9.530 9.301 1.00 0.00 C ATOM 706 O GLU A 45 7.081 9.910 8.765 1.00 0.00 O ATOM 707 CB GLU A 45 5.322 10.819 11.390 1.00 0.00 C ATOM 708 CG GLU A 45 5.054 9.617 12.324 1.00 0.00 C ATOM 709 CD GLU A 45 5.239 9.960 13.805 1.00 0.00 C ATOM 710 OE1 GLU A 45 6.388 10.126 14.244 1.00 0.00 O ATOM 711 OE2 GLU A 45 4.238 10.111 14.527 1.00 0.00 O ATOM 0 H GLU A 45 3.180 9.900 10.598 1.00 0.00 H new ATOM 0 HA GLU A 45 5.196 11.478 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.362 11.124 11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.707 11.658 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.037 9.258 12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.726 8.800 12.059 1.00 0.00 H new ATOM 718 N LYS A 46 5.703 8.233 9.398 1.00 0.00 N ATOM 719 CA LYS A 46 6.525 7.132 8.839 1.00 0.00 C ATOM 720 C LYS A 46 6.288 7.008 7.320 1.00 0.00 C ATOM 721 O LYS A 46 7.221 6.733 6.558 1.00 0.00 O ATOM 722 CB LYS A 46 6.206 5.806 9.582 1.00 0.00 C ATOM 723 CG LYS A 46 6.954 4.521 9.113 1.00 0.00 C ATOM 724 CD LYS A 46 8.485 4.478 9.412 1.00 0.00 C ATOM 725 CE LYS A 46 9.359 5.109 8.306 1.00 0.00 C ATOM 726 NZ LYS A 46 10.817 4.885 8.531 1.00 0.00 N ATOM 0 H LYS A 46 4.854 7.913 9.864 1.00 0.00 H new ATOM 0 HA LYS A 46 7.582 7.354 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.421 5.953 10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.135 5.622 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.486 3.658 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.810 4.412 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.676 4.996 10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.788 3.441 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.075 4.690 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.162 6.180 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.355 5.686 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.002 4.804 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.111 4.008 8.055 1.00 0.00 H new ATOM 740 N LEU A 47 5.030 7.221 6.897 1.00 0.00 N ATOM 741 CA LEU A 47 4.652 7.307 5.472 1.00 0.00 C ATOM 742 C LEU A 47 5.409 8.454 4.762 1.00 0.00 C ATOM 743 O LEU A 47 5.950 8.280 3.659 1.00 0.00 O ATOM 744 CB LEU A 47 3.115 7.513 5.373 1.00 0.00 C ATOM 745 CG LEU A 47 2.256 6.227 5.536 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.754 6.550 5.665 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.525 5.239 4.372 1.00 0.00 C ATOM 0 H LEU A 47 4.243 7.339 7.535 1.00 0.00 H new ATOM 0 HA LEU A 47 4.929 6.380 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.812 8.230 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.887 7.961 4.406 1.00 0.00 H new ATOM 0 HG LEU A 47 2.555 5.746 6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.191 5.623 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.591 7.181 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.416 7.074 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.915 4.346 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.271 5.715 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.579 4.961 4.367 1.00 0.00 H new ATOM 759 N ALA A 48 5.461 9.610 5.447 1.00 0.00 N ATOM 760 CA ALA A 48 6.125 10.825 4.961 1.00 0.00 C ATOM 761 C ALA A 48 7.634 10.633 4.930 1.00 0.00 C ATOM 762 O ALA A 48 8.280 11.062 3.985 1.00 0.00 O ATOM 763 CB ALA A 48 5.763 12.022 5.844 1.00 0.00 C ATOM 0 H ALA A 48 5.036 9.725 6.367 1.00 0.00 H new ATOM 0 HA ALA A 48 5.779 11.022 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.264 12.915 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.684 12.176 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.083 11.829 6.868 1.00 0.00 H new ATOM 769 N ASP A 49 8.173 9.967 5.976 1.00 0.00 N ATOM 770 CA ASP A 49 9.616 9.667 6.088 1.00 0.00 C ATOM 771 C ASP A 49 10.077 8.800 4.916 1.00 0.00 C ATOM 772 O ASP A 49 11.109 9.079 4.318 1.00 0.00 O ATOM 773 CB ASP A 49 9.949 8.957 7.427 1.00 0.00 C ATOM 774 CG ASP A 49 11.432 8.530 7.534 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.290 9.390 7.798 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.749 7.343 7.309 1.00 0.00 O ATOM 0 H ASP A 49 7.621 9.624 6.763 1.00 0.00 H new ATOM 0 HA ASP A 49 10.148 10.618 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.708 9.624 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.315 8.077 7.532 1.00 0.00 H new ATOM 781 N PHE A 50 9.273 7.773 4.592 1.00 0.00 N ATOM 782 CA PHE A 50 9.565 6.819 3.505 1.00 0.00 C ATOM 783 C PHE A 50 9.690 7.560 2.153 1.00 0.00 C ATOM 784 O PHE A 50 10.575 7.269 1.336 1.00 0.00 O ATOM 785 CB PHE A 50 8.441 5.748 3.447 1.00 0.00 C ATOM 786 CG PHE A 50 8.724 4.585 2.496 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.701 3.639 2.814 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.032 4.437 1.291 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.970 2.584 1.968 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.304 3.376 0.446 1.00 0.00 C ATOM 791 CZ PHE A 50 9.276 2.454 0.783 1.00 0.00 C ATOM 0 H PHE A 50 8.398 7.579 5.078 1.00 0.00 H new ATOM 0 HA PHE A 50 10.516 6.325 3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.282 5.351 4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.512 6.231 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.254 3.735 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.277 5.159 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.725 1.859 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.756 3.268 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.493 1.631 0.118 1.00 0.00 H new ATOM 801 N LEU A 51 8.790 8.534 1.963 1.00 0.00 N ATOM 802 CA LEU A 51 8.755 9.407 0.771 1.00 0.00 C ATOM 803 C LEU A 51 9.774 10.566 0.861 1.00 0.00 C ATOM 804 O LEU A 51 10.080 11.197 -0.145 1.00 0.00 O ATOM 805 CB LEU A 51 7.320 9.938 0.566 1.00 0.00 C ATOM 806 CG LEU A 51 6.225 8.841 0.375 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.832 9.464 0.276 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.513 7.951 -0.855 1.00 0.00 C ATOM 0 H LEU A 51 8.055 8.744 2.638 1.00 0.00 H new ATOM 0 HA LEU A 51 9.047 8.812 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.051 10.551 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.313 10.591 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 51 6.253 8.203 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.090 8.677 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.615 10.017 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.797 10.143 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.728 7.201 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.539 8.568 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.475 7.455 -0.728 1.00 0.00 H new ATOM 820 N SER A 52 10.233 10.886 2.079 1.00 0.00 N ATOM 821 CA SER A 52 11.264 11.920 2.306 1.00 0.00 C ATOM 822 C SER A 52 12.667 11.352 2.012 1.00 0.00 C ATOM 823 O SER A 52 13.577 12.104 1.649 1.00 0.00 O ATOM 824 CB SER A 52 11.186 12.464 3.754 1.00 0.00 C ATOM 825 OG SER A 52 12.109 13.527 3.974 1.00 0.00 O ATOM 0 H SER A 52 9.904 10.439 2.935 1.00 0.00 H new ATOM 0 HA SER A 52 11.077 12.749 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.174 12.815 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.389 11.656 4.457 1.00 0.00 H new ATOM 0 HG SER A 52 12.029 13.844 4.898 1.00 0.00 H new ATOM 831 N GLN A 53 12.826 10.014 2.166 1.00 0.00 N ATOM 832 CA GLN A 53 14.086 9.298 1.843 1.00 0.00 C ATOM 833 C GLN A 53 14.424 9.443 0.339 1.00 0.00 C ATOM 834 O GLN A 53 15.587 9.565 -0.041 1.00 0.00 O ATOM 835 CB GLN A 53 13.963 7.786 2.207 1.00 0.00 C ATOM 836 CG GLN A 53 13.738 7.467 3.701 1.00 0.00 C ATOM 837 CD GLN A 53 14.872 7.917 4.629 1.00 0.00 C ATOM 838 OE1 GLN A 53 16.036 7.985 4.233 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.543 8.212 5.881 1.00 0.00 N ATOM 0 H GLN A 53 12.088 9.403 2.516 1.00 0.00 H new ATOM 0 HA GLN A 53 14.888 9.743 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.137 7.361 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.871 7.279 1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.812 7.942 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.601 6.391 3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.570 8.147 6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.263 8.504 6.542 1.00 0.00 H new ATOM 848 N HIS A 54 13.358 9.428 -0.478 1.00 0.00 N ATOM 849 CA HIS A 54 13.371 9.569 -1.942 1.00 0.00 C ATOM 850 C HIS A 54 11.956 9.993 -2.317 1.00 0.00 C ATOM 851 O HIS A 54 11.019 9.292 -1.991 1.00 0.00 O ATOM 852 CB HIS A 54 13.723 8.228 -2.676 1.00 0.00 C ATOM 853 CG HIS A 54 15.174 7.824 -2.604 1.00 0.00 C ATOM 854 ND1 HIS A 54 15.664 6.921 -1.689 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.233 8.193 -3.356 1.00 0.00 C ATOM 856 CE1 HIS A 54 16.955 6.759 -1.875 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.326 7.521 -2.884 1.00 0.00 N ATOM 0 H HIS A 54 12.412 9.311 -0.114 1.00 0.00 H new ATOM 0 HA HIS A 54 14.133 10.288 -2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.117 7.428 -2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.438 8.320 -3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.219 8.891 -4.180 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.601 6.112 -1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.274 7.597 -3.253 1.00 0.00 H new ATOM 866 N LYS A 55 11.782 11.175 -2.887 1.00 0.00 N ATOM 867 CA LYS A 55 10.465 11.594 -3.419 1.00 0.00 C ATOM 868 C LYS A 55 10.200 10.935 -4.782 1.00 0.00 C ATOM 869 O LYS A 55 9.062 10.562 -5.097 1.00 0.00 O ATOM 870 CB LYS A 55 10.372 13.132 -3.507 1.00 0.00 C ATOM 871 CG LYS A 55 10.408 13.840 -2.138 1.00 0.00 C ATOM 872 CD LYS A 55 10.114 15.364 -2.210 1.00 0.00 C ATOM 873 CE LYS A 55 8.687 15.713 -2.696 1.00 0.00 C ATOM 874 NZ LYS A 55 8.527 15.597 -4.177 1.00 0.00 N ATOM 0 H LYS A 55 12.522 11.868 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 55 9.691 11.258 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.196 13.502 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.449 13.401 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.679 13.370 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.389 13.690 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.266 15.799 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.838 15.831 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.971 15.052 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.444 16.730 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.089 16.464 -4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.460 15.464 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.920 14.782 -4.398 1.00 0.00 H new ATOM 888 N ASP A 56 11.271 10.782 -5.569 1.00 0.00 N ATOM 889 CA ASP A 56 11.218 10.154 -6.898 1.00 0.00 C ATOM 890 C ASP A 56 11.413 8.631 -6.779 1.00 0.00 C ATOM 891 O ASP A 56 12.527 8.118 -6.931 1.00 0.00 O ATOM 892 CB ASP A 56 12.284 10.768 -7.849 1.00 0.00 C ATOM 893 CG ASP A 56 12.088 12.271 -8.087 1.00 0.00 C ATOM 894 OD1 ASP A 56 12.635 13.087 -7.306 1.00 0.00 O ATOM 895 OD2 ASP A 56 11.394 12.648 -9.058 1.00 0.00 O ATOM 0 H ASP A 56 12.205 11.092 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 56 10.234 10.348 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.276 10.600 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.250 10.248 -8.806 1.00 0.00 H new ATOM 900 N LYS A 57 10.325 7.936 -6.421 1.00 0.00 N ATOM 901 CA LYS A 57 10.192 6.477 -6.588 1.00 0.00 C ATOM 902 C LYS A 57 8.697 6.105 -6.563 1.00 0.00 C ATOM 903 O LYS A 57 7.884 6.791 -5.915 1.00 0.00 O ATOM 904 CB LYS A 57 11.012 5.638 -5.541 1.00 0.00 C ATOM 905 CG LYS A 57 10.400 5.442 -4.134 1.00 0.00 C ATOM 906 CD LYS A 57 10.254 6.750 -3.350 1.00 0.00 C ATOM 907 CE LYS A 57 9.858 6.540 -1.881 1.00 0.00 C ATOM 908 NZ LYS A 57 10.893 5.820 -1.108 1.00 0.00 N ATOM 0 H LYS A 57 9.503 8.372 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 57 10.627 6.217 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.191 4.651 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.985 6.114 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.420 4.975 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.026 4.754 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.197 7.296 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.503 7.374 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.672 7.509 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.923 5.981 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.987 6.253 -0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.618 4.822 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.803 5.878 -1.608 1.00 0.00 H new ATOM 922 N LYS A 58 8.346 5.026 -7.270 1.00 0.00 N ATOM 923 CA LYS A 58 6.966 4.523 -7.347 1.00 0.00 C ATOM 924 C LYS A 58 6.633 3.746 -6.083 1.00 0.00 C ATOM 925 O LYS A 58 7.295 2.761 -5.768 1.00 0.00 O ATOM 926 CB LYS A 58 6.778 3.650 -8.607 1.00 0.00 C ATOM 927 CG LYS A 58 6.361 4.465 -9.859 1.00 0.00 C ATOM 928 CD LYS A 58 6.993 3.953 -11.147 1.00 0.00 C ATOM 929 CE LYS A 58 6.678 2.478 -11.436 1.00 0.00 C ATOM 930 NZ LYS A 58 7.396 1.984 -12.636 1.00 0.00 N ATOM 0 H LYS A 58 9.013 4.473 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 58 6.280 5.366 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.709 3.123 -8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.021 2.892 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.276 4.436 -9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.641 5.509 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.644 4.562 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.074 4.081 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.954 1.872 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.604 2.358 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.280 0.953 -12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.005 2.439 -13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.407 2.213 -12.554 1.00 0.00 H new ATOM 944 N VAL A 59 5.629 4.228 -5.338 1.00 0.00 N ATOM 945 CA VAL A 59 5.178 3.594 -4.094 1.00 0.00 C ATOM 946 C VAL A 59 3.685 3.322 -4.182 1.00 0.00 C ATOM 947 O VAL A 59 2.915 4.192 -4.602 1.00 0.00 O ATOM 948 CB VAL A 59 5.491 4.482 -2.843 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.048 3.807 -1.535 1.00 0.00 C ATOM 950 CG2 VAL A 59 6.983 4.818 -2.788 1.00 0.00 C ATOM 0 H VAL A 59 5.107 5.069 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 59 5.721 2.657 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 59 4.920 5.405 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.284 4.457 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.973 3.626 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.572 2.858 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.185 5.436 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.561 3.896 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.267 5.362 -3.689 1.00 0.00 H new ATOM 960 N LEU A 60 3.295 2.113 -3.776 1.00 0.00 N ATOM 961 CA LEU A 60 1.912 1.651 -3.862 1.00 0.00 C ATOM 962 C LEU A 60 1.384 1.302 -2.465 1.00 0.00 C ATOM 963 O LEU A 60 1.656 0.217 -1.946 1.00 0.00 O ATOM 964 CB LEU A 60 1.852 0.420 -4.785 1.00 0.00 C ATOM 965 CG LEU A 60 0.433 -0.094 -5.131 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.339 0.938 -5.977 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.514 -1.447 -5.845 1.00 0.00 C ATOM 0 H LEU A 60 3.933 1.425 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 60 1.285 2.442 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.367 0.661 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.407 -0.391 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.118 -0.233 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.332 0.551 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.432 1.870 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.201 1.124 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.492 -1.794 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.086 -1.339 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.005 -2.172 -5.196 1.00 0.00 H new ATOM 979 N LEU A 61 0.638 2.231 -1.862 1.00 0.00 N ATOM 980 CA LEU A 61 0.052 2.038 -0.529 1.00 0.00 C ATOM 981 C LEU A 61 -1.177 1.120 -0.663 1.00 0.00 C ATOM 982 O LEU A 61 -2.255 1.571 -1.029 1.00 0.00 O ATOM 983 CB LEU A 61 -0.317 3.420 0.112 1.00 0.00 C ATOM 984 CG LEU A 61 0.883 4.334 0.575 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.804 4.735 -0.586 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.379 5.600 1.301 1.00 0.00 C ATOM 0 H LEU A 61 0.422 3.136 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 61 0.773 1.564 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.912 3.981 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.955 3.234 0.976 1.00 0.00 H new ATOM 0 HG LEU A 61 1.468 3.732 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.612 5.363 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.224 3.839 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.231 5.288 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.231 6.208 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.255 6.177 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.195 5.310 2.181 1.00 0.00 H new ATOM 998 N HIS A 62 -0.992 -0.185 -0.409 1.00 0.00 N ATOM 999 CA HIS A 62 -2.052 -1.193 -0.608 1.00 0.00 C ATOM 1000 C HIS A 62 -2.816 -1.432 0.706 1.00 0.00 C ATOM 1001 O HIS A 62 -2.216 -1.496 1.787 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.472 -2.534 -1.179 1.00 0.00 C ATOM 1003 CG HIS A 62 -1.033 -3.560 -0.148 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.884 -4.522 0.350 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.151 -3.769 0.469 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.241 -5.264 1.226 1.00 0.00 C ATOM 1007 NE2 HIS A 62 -0.006 -4.834 1.317 1.00 0.00 N ATOM 0 H HIS A 62 -0.114 -0.571 -0.063 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.752 -0.805 -1.348 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.227 -2.991 -1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.618 -2.297 -1.813 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.861 -4.641 0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.057 -3.200 0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.661 -6.091 1.779 1.00 0.00 H new ATOM 1016 N CYS A 63 -4.138 -1.582 0.588 1.00 0.00 N ATOM 1017 CA CYS A 63 -5.038 -1.878 1.722 1.00 0.00 C ATOM 1018 C CYS A 63 -5.814 -3.172 1.461 1.00 0.00 C ATOM 1019 O CYS A 63 -5.920 -3.614 0.313 1.00 0.00 O ATOM 1020 CB CYS A 63 -6.009 -0.712 1.956 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.240 -1.007 3.239 1.00 0.00 S ATOM 0 H CYS A 63 -4.625 -1.502 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.433 -2.009 2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.434 0.175 2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.524 -0.492 1.021 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.642 -1.234 4.371 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.288 -3.804 2.554 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.163 -4.989 2.497 1.00 0.00 C ATOM 1029 C ARG A 64 -8.460 -4.721 1.714 1.00 0.00 C ATOM 1030 O ARG A 64 -8.896 -5.558 0.920 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.480 -5.489 3.923 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.554 -6.602 3.992 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.567 -7.321 5.341 1.00 0.00 C ATOM 1034 NE ARG A 64 -8.535 -6.380 6.468 1.00 0.00 N ATOM 1035 CZ ARG A 64 -7.696 -6.458 7.507 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -6.874 -7.497 7.636 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -7.691 -5.509 8.420 1.00 0.00 N ATOM 0 H ARG A 64 -6.073 -3.504 3.505 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.622 -5.767 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.561 -5.861 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.813 -4.643 4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.536 -6.167 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.372 -7.327 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.460 -7.941 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.709 -7.990 5.403 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.203 -5.609 6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.880 -8.242 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.238 -7.548 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.326 -4.716 8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.052 -5.567 9.213 1.00 0.00 H new ATOM 1051 N ALA A 65 -9.078 -3.565 1.965 1.00 0.00 N ATOM 1052 CA ALA A 65 -10.287 -3.144 1.240 1.00 0.00 C ATOM 1053 C ALA A 65 -9.943 -2.040 0.225 1.00 0.00 C ATOM 1054 O ALA A 65 -9.992 -2.272 -0.993 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.372 -2.705 2.233 1.00 0.00 C ATOM 0 H ALA A 65 -8.762 -2.898 2.668 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.685 -3.987 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.262 -2.395 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.622 -3.538 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.004 -1.870 2.829 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.544 -0.855 0.727 1.00 0.00 N ATOM 1062 CA GLY A 66 -9.212 0.272 -0.155 1.00 0.00 C ATOM 1063 C GLY A 66 -9.200 1.629 0.539 1.00 0.00 C ATOM 1064 O GLY A 66 -8.522 2.550 0.066 1.00 0.00 O ATOM 0 H GLY A 66 -9.446 -0.658 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.232 0.095 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.931 0.302 -0.973 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.957 1.769 1.648 1.00 0.00 N ATOM 1069 CA ARG A 67 -10.074 3.058 2.373 1.00 0.00 C ATOM 1070 C ARG A 67 -8.731 3.481 2.989 1.00 0.00 C ATOM 1071 O ARG A 67 -8.362 4.643 2.896 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.178 3.022 3.474 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.298 4.338 4.291 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.634 5.564 3.404 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.237 6.830 4.042 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.319 8.046 3.477 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.908 8.215 2.298 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.815 9.097 4.100 1.00 0.00 N ATOM 0 H ARG A 67 -10.496 1.009 2.062 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.368 3.799 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.138 2.809 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.968 2.200 4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.072 4.221 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.361 4.521 4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.127 5.467 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.704 5.581 3.199 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.869 6.780 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.307 7.414 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.962 9.145 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.365 8.984 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.876 10.021 3.673 1.00 0.00 H new ATOM 1092 N ARG A 68 -8.014 2.536 3.618 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.713 2.840 4.265 1.00 0.00 C ATOM 1094 C ARG A 68 -5.644 3.189 3.218 1.00 0.00 C ATOM 1095 O ARG A 68 -4.727 3.950 3.499 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.232 1.656 5.137 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.210 1.239 6.247 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.585 2.403 7.186 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.300 1.946 8.393 1.00 0.00 N ATOM 1100 CZ ARG A 68 -8.709 2.740 9.402 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -8.555 4.058 9.345 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -9.276 2.215 10.474 1.00 0.00 N ATOM 0 H ARG A 68 -8.304 1.561 3.696 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.865 3.705 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.049 0.797 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.278 1.922 5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.117 0.838 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.765 0.435 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.680 2.933 7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.209 3.115 6.646 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.501 0.949 8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.121 4.486 8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.871 4.642 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.405 1.205 10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.584 2.819 11.236 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.788 2.598 2.021 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.932 2.899 0.858 1.00 0.00 C ATOM 1118 C ALA A 69 -5.082 4.371 0.468 1.00 0.00 C ATOM 1119 O ALA A 69 -4.094 5.114 0.380 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.299 1.986 -0.326 1.00 0.00 C ATOM 0 H ALA A 69 -6.503 1.896 1.830 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.892 2.712 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.659 2.219 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.156 0.944 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.341 2.147 -0.600 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.349 4.760 0.267 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.742 6.123 -0.096 1.00 0.00 C ATOM 1128 C LEU A 70 -6.278 7.117 0.975 1.00 0.00 C ATOM 1129 O LEU A 70 -5.450 7.977 0.695 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.290 6.185 -0.281 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.917 7.596 -0.532 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.361 8.256 -1.809 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.461 7.522 -0.580 1.00 0.00 C ATOM 0 H LEU A 70 -7.141 4.123 0.354 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.264 6.399 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.558 5.541 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.755 5.760 0.609 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.631 8.225 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.824 9.234 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.281 8.375 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.584 7.627 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.868 8.518 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.768 6.857 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.837 7.139 0.369 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.769 6.913 2.212 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.622 7.860 3.343 1.00 0.00 C ATOM 1147 C ASP A 71 -5.148 8.156 3.652 1.00 0.00 C ATOM 1148 O ASP A 71 -4.775 9.321 3.881 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.326 7.299 4.611 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.441 8.332 5.757 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.444 9.074 5.798 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.527 8.404 6.616 1.00 0.00 O ATOM 0 H ASP A 71 -7.289 6.072 2.462 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.096 8.796 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.324 6.954 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.775 6.430 4.969 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.332 7.084 3.678 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.873 7.182 3.843 1.00 0.00 C ATOM 1159 C ALA A 72 -2.271 8.102 2.776 1.00 0.00 C ATOM 1160 O ALA A 72 -1.684 9.138 3.093 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.247 5.781 3.760 1.00 0.00 C ATOM 0 H ALA A 72 -4.669 6.126 3.585 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.656 7.611 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.167 5.857 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.658 5.151 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.472 5.339 2.789 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.510 7.745 1.505 1.00 0.00 N ATOM 1168 CA ALA A 73 -1.951 8.461 0.355 1.00 0.00 C ATOM 1169 C ALA A 73 -2.476 9.909 0.266 1.00 0.00 C ATOM 1170 O ALA A 73 -1.772 10.763 -0.265 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.221 7.676 -0.935 1.00 0.00 C ATOM 0 H ALA A 73 -3.097 6.951 1.249 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.872 8.535 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.802 8.216 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.757 6.692 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.296 7.561 -1.073 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.704 10.186 0.795 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.272 11.560 0.809 1.00 0.00 C ATOM 1179 C LYS A 74 -3.371 12.447 1.645 1.00 0.00 C ATOM 1180 O LYS A 74 -2.881 13.449 1.154 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.728 11.636 1.362 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.764 10.754 0.632 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.230 11.205 0.850 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.607 12.415 -0.024 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.950 12.948 0.318 1.00 0.00 N ATOM 0 H LYS A 74 -4.311 9.480 1.212 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.321 11.895 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.713 11.353 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.062 12.672 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.546 10.761 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.656 9.724 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.900 10.375 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.377 11.458 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.862 13.200 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.589 12.124 -1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.166 13.762 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.665 12.207 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.961 13.250 1.313 1.00 0.00 H new ATOM 1199 N SER A 75 -3.112 11.985 2.881 1.00 0.00 N ATOM 1200 CA SER A 75 -2.272 12.675 3.870 1.00 0.00 C ATOM 1201 C SER A 75 -0.882 12.999 3.286 1.00 0.00 C ATOM 1202 O SER A 75 -0.379 14.104 3.445 1.00 0.00 O ATOM 1203 CB SER A 75 -2.145 11.793 5.131 1.00 0.00 C ATOM 1204 OG SER A 75 -3.416 11.412 5.622 1.00 0.00 O ATOM 0 H SER A 75 -3.490 11.102 3.225 1.00 0.00 H new ATOM 0 HA SER A 75 -2.742 13.622 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.561 10.903 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.602 12.336 5.904 1.00 0.00 H new ATOM 0 HG SER A 75 -3.753 10.653 5.102 1.00 0.00 H new ATOM 1210 N MET A 76 -0.307 12.021 2.564 1.00 0.00 N ATOM 1211 CA MET A 76 1.002 12.161 1.887 1.00 0.00 C ATOM 1212 C MET A 76 0.959 13.240 0.786 1.00 0.00 C ATOM 1213 O MET A 76 1.889 14.039 0.664 1.00 0.00 O ATOM 1214 CB MET A 76 1.452 10.793 1.314 1.00 0.00 C ATOM 1215 CG MET A 76 1.987 9.774 2.346 1.00 0.00 C ATOM 1216 SD MET A 76 0.942 9.552 3.800 1.00 0.00 S ATOM 1217 CE MET A 76 1.601 10.746 4.965 1.00 0.00 C ATOM 0 H MET A 76 -0.736 11.105 2.431 1.00 0.00 H new ATOM 0 HA MET A 76 1.735 12.488 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.607 10.343 0.792 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.229 10.970 0.570 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.110 8.809 1.853 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.977 10.094 2.672 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.241 10.513 5.967 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.690 10.704 4.952 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.273 11.747 4.685 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.131 13.251 -0.004 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.371 14.282 -1.038 1.00 0.00 C ATOM 1229 C HIS A 77 -0.539 15.687 -0.418 1.00 0.00 C ATOM 1230 O HIS A 77 -0.144 16.687 -1.030 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.591 13.908 -1.919 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.299 12.914 -3.023 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.427 13.224 -4.359 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.915 11.615 -2.992 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -1.134 12.173 -5.090 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.820 11.184 -4.285 1.00 0.00 N ATOM 0 H HIS A 77 -0.869 12.549 0.054 1.00 0.00 H new ATOM 0 HA HIS A 77 0.511 14.316 -1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.372 13.498 -1.278 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.991 14.818 -2.366 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.707 14.134 -4.726 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.720 11.028 -2.107 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.149 12.129 -6.169 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.099 15.741 0.806 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.304 16.999 1.560 1.00 0.00 C ATOM 1247 C GLU A 78 0.033 17.520 2.127 1.00 0.00 C ATOM 1248 O GLU A 78 0.188 18.720 2.372 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.339 16.770 2.694 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.696 16.212 2.207 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.553 17.216 1.423 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -4.320 17.406 0.206 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -5.479 17.806 2.017 1.00 0.00 O ATOM 0 H GLU A 78 -1.424 14.912 1.304 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.694 17.758 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.916 16.080 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.511 17.714 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.512 15.342 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.263 15.866 3.071 1.00 0.00 H new ATOM 1260 N LEU A 79 0.997 16.593 2.328 1.00 0.00 N ATOM 1261 CA LEU A 79 2.382 16.939 2.739 1.00 0.00 C ATOM 1262 C LEU A 79 3.264 17.288 1.519 1.00 0.00 C ATOM 1263 O LEU A 79 4.456 17.568 1.669 1.00 0.00 O ATOM 1264 CB LEU A 79 3.023 15.779 3.544 1.00 0.00 C ATOM 1265 CG LEU A 79 2.217 15.306 4.785 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.919 14.151 5.513 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.902 16.468 5.759 1.00 0.00 C ATOM 0 H LEU A 79 0.842 15.592 2.212 1.00 0.00 H new ATOM 0 HA LEU A 79 2.322 17.820 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.162 14.929 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.014 16.091 3.873 1.00 0.00 H new ATOM 0 HG LEU A 79 1.264 14.933 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.324 13.849 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.029 13.306 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.904 14.477 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.338 16.087 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.834 16.911 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.313 17.226 5.243 1.00 0.00 H new ATOM 1279 N GLY A 80 2.670 17.243 0.314 1.00 0.00 N ATOM 1280 CA GLY A 80 3.338 17.670 -0.918 1.00 0.00 C ATOM 1281 C GLY A 80 3.891 16.524 -1.755 1.00 0.00 C ATOM 1282 O GLY A 80 4.414 16.762 -2.848 1.00 0.00 O ATOM 0 H GLY A 80 1.716 16.910 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.632 18.240 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.154 18.345 -0.661 1.00 0.00 H new ATOM 1286 N TYR A 81 3.795 15.278 -1.244 1.00 0.00 N ATOM 1287 CA TYR A 81 4.248 14.074 -1.988 1.00 0.00 C ATOM 1288 C TYR A 81 3.167 13.639 -2.998 1.00 0.00 C ATOM 1289 O TYR A 81 2.066 14.195 -3.009 1.00 0.00 O ATOM 1290 CB TYR A 81 4.564 12.920 -1.009 1.00 0.00 C ATOM 1291 CG TYR A 81 5.569 13.291 0.088 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.913 13.522 -0.218 1.00 0.00 C ATOM 1293 CD2 TYR A 81 5.176 13.405 1.423 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.817 13.857 0.766 1.00 0.00 C ATOM 1295 CE2 TYR A 81 6.084 13.742 2.408 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.402 13.964 2.073 1.00 0.00 C ATOM 1297 OH TYR A 81 8.309 14.313 3.044 1.00 0.00 O ATOM 0 H TYR A 81 3.409 15.075 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 81 5.159 14.322 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.637 12.590 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.955 12.074 -1.575 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.248 13.437 -1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.145 13.227 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.851 14.036 0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.763 13.831 3.435 1.00 0.00 H new ATOM 0 HH TYR A 81 7.860 14.347 3.914 1.00 0.00 H new ATOM 1307 N THR A 82 3.478 12.640 -3.845 1.00 0.00 N ATOM 1308 CA THR A 82 2.518 12.079 -4.821 1.00 0.00 C ATOM 1309 C THR A 82 2.736 10.547 -4.999 1.00 0.00 C ATOM 1310 O THR A 82 3.182 10.101 -6.067 1.00 0.00 O ATOM 1311 CB THR A 82 2.596 12.815 -6.220 1.00 0.00 C ATOM 1312 OG1 THR A 82 3.969 12.992 -6.603 1.00 0.00 O ATOM 1313 CG2 THR A 82 1.867 14.177 -6.227 1.00 0.00 C ATOM 0 H THR A 82 4.397 12.199 -3.874 1.00 0.00 H new ATOM 0 HA THR A 82 1.519 12.245 -4.418 1.00 0.00 H new ATOM 0 HB THR A 82 2.084 12.179 -6.942 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.011 13.446 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.956 14.632 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.814 14.027 -5.990 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.316 14.834 -5.482 1.00 0.00 H new ATOM 1321 N PRO A 83 2.475 9.710 -3.935 1.00 0.00 N ATOM 1322 CA PRO A 83 2.446 8.227 -4.079 1.00 0.00 C ATOM 1323 C PRO A 83 1.146 7.717 -4.749 1.00 0.00 C ATOM 1324 O PRO A 83 0.151 8.449 -4.860 1.00 0.00 O ATOM 1325 CB PRO A 83 2.522 7.740 -2.609 1.00 0.00 C ATOM 1326 CG PRO A 83 1.836 8.825 -1.843 1.00 0.00 C ATOM 1327 CD PRO A 83 2.269 10.111 -2.510 1.00 0.00 C ATOM 0 HA PRO A 83 3.250 7.860 -4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.023 6.780 -2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.554 7.610 -2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.753 8.708 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.125 8.809 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.510 10.887 -2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.184 10.505 -2.067 1.00 0.00 H new ATOM 1335 N TYR A 84 1.182 6.449 -5.181 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.002 5.699 -5.651 1.00 0.00 C ATOM 1337 C TYR A 84 -0.619 4.929 -4.475 1.00 0.00 C ATOM 1338 O TYR A 84 -0.045 4.892 -3.376 1.00 0.00 O ATOM 1339 CB TYR A 84 0.405 4.703 -6.772 1.00 0.00 C ATOM 1340 CG TYR A 84 1.080 5.368 -7.980 1.00 0.00 C ATOM 1341 CD1 TYR A 84 0.335 6.140 -8.872 1.00 0.00 C ATOM 1342 CD2 TYR A 84 2.459 5.243 -8.222 1.00 0.00 C ATOM 1343 CE1 TYR A 84 0.930 6.757 -9.954 1.00 0.00 C ATOM 1344 CE2 TYR A 84 3.049 5.863 -9.304 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.282 6.614 -10.164 1.00 0.00 C ATOM 1346 OH TYR A 84 2.874 7.228 -11.241 1.00 0.00 O ATOM 0 H TYR A 84 2.043 5.904 -5.216 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.733 6.401 -6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.082 3.958 -6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.484 4.171 -7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.727 6.257 -8.713 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.066 4.653 -7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.336 7.350 -10.634 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.110 5.759 -9.475 1.00 0.00 H new ATOM 0 HH TYR A 84 3.833 7.028 -11.245 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.779 4.305 -4.713 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.420 3.428 -3.730 1.00 0.00 C ATOM 1358 C TYR A 85 -3.243 2.359 -4.448 1.00 0.00 C ATOM 1359 O TYR A 85 -3.645 2.544 -5.606 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.287 4.231 -2.730 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.508 4.955 -3.327 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.383 6.218 -3.898 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.787 4.378 -3.295 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.476 6.874 -4.410 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.882 5.042 -3.806 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.720 6.290 -4.362 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.811 6.967 -4.866 1.00 0.00 O ATOM 0 H TYR A 85 -2.296 4.394 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.641 2.936 -3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.637 3.550 -1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.653 4.971 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.412 6.689 -3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.916 3.397 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.358 7.852 -4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.860 4.586 -3.770 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.615 6.418 -4.757 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.497 1.251 -3.743 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.149 0.073 -4.310 1.00 0.00 C ATOM 1379 C LEU A 86 -5.429 -0.238 -3.530 1.00 0.00 C ATOM 1380 O LEU A 86 -5.384 -0.576 -2.329 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.156 -1.131 -4.295 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.533 -2.402 -5.136 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.586 -3.305 -4.457 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -3.977 -2.007 -6.550 1.00 0.00 C ATOM 0 H LEU A 86 -3.253 1.149 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.430 0.265 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.189 -0.772 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.023 -1.442 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.625 -3.001 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.796 -4.163 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.203 -3.653 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.503 -2.738 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.233 -2.903 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.848 -1.355 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.165 -1.481 -7.053 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.559 -0.128 -4.238 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.862 -0.589 -3.760 1.00 0.00 C ATOM 1398 C GLU A 87 -8.100 -2.003 -4.316 1.00 0.00 C ATOM 1399 O GLU A 87 -8.298 -2.175 -5.530 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.991 0.378 -4.206 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.844 1.822 -3.683 1.00 0.00 C ATOM 1402 CD GLU A 87 -10.115 2.663 -3.885 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -11.014 2.610 -3.018 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -10.236 3.347 -4.919 1.00 0.00 O ATOM 0 H GLU A 87 -6.592 0.288 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.872 -0.610 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.022 0.402 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.948 -0.021 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.597 1.795 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.010 2.305 -4.193 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.031 -2.999 -3.429 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.193 -4.397 -3.805 1.00 0.00 C ATOM 1413 C GLY A 88 -8.123 -5.310 -2.596 1.00 0.00 C ATOM 1414 O GLY A 88 -7.455 -4.984 -1.605 1.00 0.00 O ATOM 0 H GLY A 88 -7.862 -2.855 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.151 -4.531 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.417 -4.675 -4.518 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.789 -6.471 -2.695 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.863 -7.458 -1.602 1.00 0.00 C ATOM 1420 C ASN A 89 -7.493 -8.125 -1.394 1.00 0.00 C ATOM 1421 O ASN A 89 -6.976 -8.766 -2.310 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.937 -8.516 -1.916 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.333 -7.911 -2.027 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.734 -7.434 -3.088 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -12.083 -7.924 -0.937 1.00 0.00 N ATOM 0 H ASN A 89 -9.293 -6.754 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.140 -6.945 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.686 -9.018 -2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.934 -9.276 -1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.024 -7.531 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.720 -8.327 -0.073 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.921 -7.959 -0.177 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.534 -8.370 0.139 1.00 0.00 C ATOM 1434 C VAL A 90 -5.314 -9.886 -0.058 1.00 0.00 C ATOM 1435 O VAL A 90 -4.242 -10.311 -0.460 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.102 -7.912 1.592 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.843 -8.683 2.700 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.580 -7.989 1.793 1.00 0.00 C ATOM 0 H VAL A 90 -7.409 -7.536 0.612 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.889 -7.857 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.396 -6.866 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.509 -8.329 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.916 -8.518 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.629 -9.748 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.330 -7.666 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.245 -9.016 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.084 -7.340 1.071 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.371 -10.674 0.167 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.320 -12.148 0.060 1.00 0.00 C ATOM 1450 C TYR A 91 -6.377 -12.588 -1.416 1.00 0.00 C ATOM 1451 O TYR A 91 -5.865 -13.652 -1.781 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.491 -12.771 0.867 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.594 -12.218 2.300 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.806 -12.721 3.338 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -8.458 -11.165 2.597 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.887 -12.193 4.613 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -8.541 -10.638 3.866 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.751 -11.151 4.873 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.825 -10.614 6.141 1.00 0.00 O ATOM 0 H TYR A 91 -7.289 -10.314 0.429 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.377 -12.502 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.428 -12.582 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.361 -13.852 0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.123 -13.534 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.077 -10.753 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.274 -12.597 5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.222 -9.826 4.072 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.956 -10.704 6.585 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.988 -11.729 -2.259 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.180 -12.003 -3.698 1.00 0.00 C ATOM 1471 C ASP A 92 -5.902 -11.743 -4.508 1.00 0.00 C ATOM 1472 O ASP A 92 -5.812 -12.188 -5.647 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.375 -11.193 -4.290 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.752 -11.779 -3.927 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.212 -11.583 -2.787 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.373 -12.459 -4.776 1.00 0.00 O ATOM 0 H ASP A 92 -7.361 -10.828 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.418 -13.063 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.320 -10.165 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.278 -11.158 -5.375 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.918 -11.047 -3.916 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.612 -10.795 -4.570 1.00 0.00 C ATOM 1483 C PHE A 93 -2.927 -12.133 -4.938 1.00 0.00 C ATOM 1484 O PHE A 93 -2.406 -12.311 -6.049 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.666 -9.985 -3.633 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.160 -8.611 -3.154 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.271 -7.981 -3.709 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.478 -7.939 -2.146 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.685 -6.738 -3.269 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.886 -6.698 -1.709 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.987 -6.092 -2.269 1.00 0.00 C ATOM 0 H PHE A 93 -4.997 -10.645 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.801 -10.216 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.458 -10.595 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.718 -9.841 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.820 -8.473 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.611 -8.399 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.555 -6.272 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.339 -6.198 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.303 -5.117 -1.928 1.00 0.00 H new ATOM 1501 N GLU A 94 -2.995 -13.071 -3.980 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.321 -14.374 -4.054 1.00 0.00 C ATOM 1503 C GLU A 94 -2.926 -15.246 -5.184 1.00 0.00 C ATOM 1504 O GLU A 94 -2.190 -15.796 -6.013 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.399 -15.062 -2.651 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.195 -15.956 -2.276 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.042 -17.210 -3.152 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -1.883 -18.131 -3.027 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -0.088 -17.292 -3.958 1.00 0.00 O ATOM 0 H GLU A 94 -3.528 -12.942 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.270 -14.239 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.503 -14.287 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.304 -15.668 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.282 -15.364 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.296 -16.264 -1.235 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.272 -15.322 -5.232 1.00 0.00 N ATOM 1517 CA LYS A 95 -4.991 -16.083 -6.283 1.00 0.00 C ATOM 1518 C LYS A 95 -4.921 -15.369 -7.658 1.00 0.00 C ATOM 1519 O LYS A 95 -5.106 -16.013 -8.693 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.470 -16.368 -5.878 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.290 -15.119 -5.514 1.00 0.00 C ATOM 1522 CD LYS A 95 -8.769 -15.431 -5.162 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.606 -15.843 -6.386 1.00 0.00 C ATOM 1524 NZ LYS A 95 -11.027 -16.093 -6.025 1.00 0.00 N ATOM 0 H LYS A 95 -4.886 -14.867 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.483 -17.042 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -6.965 -16.883 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.474 -17.049 -5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.820 -14.620 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.263 -14.420 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.799 -16.231 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.220 -14.553 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.556 -15.059 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.180 -16.742 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.558 -16.368 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.077 -16.859 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.441 -15.227 -5.624 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.647 -14.040 -7.660 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.374 -13.267 -8.903 1.00 0.00 C ATOM 1540 C TYR A 96 -2.973 -13.598 -9.452 1.00 0.00 C ATOM 1541 O TYR A 96 -2.699 -13.374 -10.633 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.536 -11.725 -8.667 1.00 0.00 C ATOM 1543 CG TYR A 96 -5.952 -11.177 -8.960 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.087 -11.719 -8.347 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.150 -10.128 -9.866 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.351 -11.231 -8.617 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -7.415 -9.638 -10.135 1.00 0.00 C ATOM 1548 CZ TYR A 96 -8.510 -10.195 -9.514 1.00 0.00 C ATOM 1549 OH TYR A 96 -9.771 -9.710 -9.791 1.00 0.00 O ATOM 0 H TYR A 96 -4.609 -13.477 -6.810 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.112 -13.562 -9.649 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.280 -11.500 -7.632 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.819 -11.197 -9.295 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.973 -12.535 -7.649 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.297 -9.692 -10.365 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.213 -11.660 -8.127 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.543 -8.821 -10.830 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.705 -8.981 -10.442 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.087 -14.096 -8.575 1.00 0.00 N ATOM 1560 CA GLY A 97 -0.770 -14.603 -8.988 1.00 0.00 C ATOM 1561 C GLY A 97 0.371 -13.969 -8.217 1.00 0.00 C ATOM 1562 O GLY A 97 1.494 -14.489 -8.224 1.00 0.00 O ATOM 0 H GLY A 97 -2.261 -14.158 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.741 -15.684 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.631 -14.416 -10.053 1.00 0.00 H new ATOM 1566 N PHE A 98 0.082 -12.834 -7.561 1.00 0.00 N ATOM 1567 CA PHE A 98 1.051 -12.120 -6.724 1.00 0.00 C ATOM 1568 C PHE A 98 1.155 -12.828 -5.368 1.00 0.00 C ATOM 1569 O PHE A 98 0.285 -12.644 -4.512 1.00 0.00 O ATOM 1570 CB PHE A 98 0.611 -10.649 -6.525 1.00 0.00 C ATOM 1571 CG PHE A 98 0.361 -9.880 -7.822 1.00 0.00 C ATOM 1572 CD1 PHE A 98 1.421 -9.342 -8.555 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -0.941 -9.663 -8.281 1.00 0.00 C ATOM 1574 CE1 PHE A 98 1.187 -8.613 -9.703 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -1.169 -8.938 -9.430 1.00 0.00 C ATOM 1576 CZ PHE A 98 -0.107 -8.410 -10.141 1.00 0.00 C ATOM 0 H PHE A 98 -0.834 -12.387 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 98 2.024 -12.121 -7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.300 -10.634 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.378 -10.128 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.436 -9.498 -8.219 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.777 -10.068 -7.729 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.016 -8.201 -10.259 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.180 -8.782 -9.776 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.289 -7.839 -11.039 1.00 0.00 H new ATOM 1586 N ARG A 99 2.203 -13.663 -5.205 1.00 0.00 N ATOM 1587 CA ARG A 99 2.447 -14.432 -3.966 1.00 0.00 C ATOM 1588 C ARG A 99 2.462 -13.523 -2.725 1.00 0.00 C ATOM 1589 O ARG A 99 2.725 -12.312 -2.818 1.00 0.00 O ATOM 1590 CB ARG A 99 3.791 -15.181 -4.037 1.00 0.00 C ATOM 1591 CG ARG A 99 5.018 -14.247 -4.150 1.00 0.00 C ATOM 1592 CD ARG A 99 6.334 -14.965 -3.867 1.00 0.00 C ATOM 1593 NE ARG A 99 7.489 -14.116 -4.192 1.00 0.00 N ATOM 1594 CZ ARG A 99 8.577 -13.939 -3.427 1.00 0.00 C ATOM 1595 NH1 ARG A 99 8.705 -14.560 -2.259 1.00 0.00 N ATOM 1596 NH2 ARG A 99 9.537 -13.129 -3.841 1.00 0.00 N ATOM 0 H ARG A 99 2.904 -13.823 -5.929 1.00 0.00 H new ATOM 0 HA ARG A 99 1.628 -15.146 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.899 -15.801 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.777 -15.853 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.051 -13.818 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.904 -13.418 -3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.375 -15.251 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.381 -15.885 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 99 7.461 -13.616 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.968 -15.184 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.540 -14.412 -1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.446 -12.646 -4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.368 -12.988 -3.267 1.00 0.00 H new ATOM 1610 N MET A 100 2.197 -14.123 -1.563 1.00 0.00 N ATOM 1611 CA MET A 100 2.055 -13.392 -0.292 1.00 0.00 C ATOM 1612 C MET A 100 2.625 -14.232 0.853 1.00 0.00 C ATOM 1613 O MET A 100 2.432 -15.453 0.896 1.00 0.00 O ATOM 1614 CB MET A 100 0.568 -13.036 -0.001 1.00 0.00 C ATOM 1615 CG MET A 100 -0.164 -12.313 -1.140 1.00 0.00 C ATOM 1616 SD MET A 100 -1.726 -11.621 -0.626 1.00 0.00 S ATOM 1617 CE MET A 100 -1.157 -10.345 0.482 1.00 0.00 C ATOM 0 H MET A 100 2.074 -15.131 -1.471 1.00 0.00 H new ATOM 0 HA MET A 100 2.611 -12.458 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.029 -13.955 0.230 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.528 -12.410 0.890 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.472 -11.517 -1.527 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.333 -13.012 -1.959 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.751 -9.443 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.262 -10.684 1.512 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.109 -10.126 0.277 1.00 0.00 H new ATOM 1627 N VAL A 101 3.319 -13.567 1.785 1.00 0.00 N ATOM 1628 CA VAL A 101 3.943 -14.217 2.936 1.00 0.00 C ATOM 1629 C VAL A 101 3.001 -14.115 4.157 1.00 0.00 C ATOM 1630 O VAL A 101 2.764 -13.019 4.695 1.00 0.00 O ATOM 1631 CB VAL A 101 5.350 -13.585 3.266 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.097 -14.414 4.336 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.210 -13.427 1.985 1.00 0.00 C ATOM 0 H VAL A 101 3.462 -12.557 1.758 1.00 0.00 H new ATOM 0 HA VAL A 101 4.109 -15.266 2.692 1.00 0.00 H new ATOM 0 HB VAL A 101 5.176 -12.590 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.063 -13.954 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.506 -14.444 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.249 -15.429 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.174 -12.989 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.367 -14.405 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.695 -12.776 1.279 1.00 0.00 H new ATOM 1643 N TYR A 102 2.430 -15.266 4.524 1.00 0.00 N ATOM 1644 CA TYR A 102 1.549 -15.431 5.696 1.00 0.00 C ATOM 1645 C TYR A 102 2.381 -15.799 6.937 1.00 0.00 C ATOM 1646 O TYR A 102 3.504 -16.308 6.801 1.00 0.00 O ATOM 1647 CB TYR A 102 0.499 -16.556 5.422 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.559 -16.245 4.337 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.189 -15.884 3.038 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.931 -16.303 4.620 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.133 -15.591 2.076 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.877 -16.009 3.655 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.475 -15.655 2.386 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.416 -15.361 1.423 1.00 0.00 O ATOM 0 H TYR A 102 2.568 -16.133 4.005 1.00 0.00 H new ATOM 0 HA TYR A 102 1.031 -14.489 5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.033 -17.461 5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.020 -16.777 6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.859 -15.833 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.256 -16.583 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.821 -15.312 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.929 -16.057 3.896 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.314 -15.455 1.804 1.00 0.00 H new ATOM 1664 N ASP A 103 1.810 -15.535 8.136 1.00 0.00 N ATOM 1665 CA ASP A 103 2.375 -15.970 9.442 1.00 0.00 C ATOM 1666 C ASP A 103 3.786 -15.403 9.711 1.00 0.00 C ATOM 1667 O ASP A 103 4.508 -15.903 10.583 1.00 0.00 O ATOM 1668 CB ASP A 103 2.375 -17.526 9.556 1.00 0.00 C ATOM 1669 CG ASP A 103 0.965 -18.146 9.586 1.00 0.00 C ATOM 1670 OD1 ASP A 103 0.385 -18.396 8.506 1.00 0.00 O ATOM 1671 OD2 ASP A 103 0.438 -18.391 10.693 1.00 0.00 O ATOM 0 H ASP A 103 0.939 -15.011 8.228 1.00 0.00 H new ATOM 0 HA ASP A 103 1.723 -15.557 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.927 -17.943 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.908 -17.815 10.462 1.00 0.00 H new ATOM 1676 N ASP A 104 4.145 -14.327 8.993 1.00 0.00 N ATOM 1677 CA ASP A 104 5.478 -13.709 9.076 1.00 0.00 C ATOM 1678 C ASP A 104 5.492 -12.681 10.212 1.00 0.00 C ATOM 1679 O ASP A 104 5.344 -11.471 9.992 1.00 0.00 O ATOM 1680 CB ASP A 104 5.860 -13.071 7.718 1.00 0.00 C ATOM 1681 CG ASP A 104 7.321 -12.559 7.642 1.00 0.00 C ATOM 1682 OD1 ASP A 104 8.255 -13.350 7.929 1.00 0.00 O ATOM 1683 OD2 ASP A 104 7.542 -11.388 7.255 1.00 0.00 O ATOM 0 H ASP A 104 3.518 -13.860 8.338 1.00 0.00 H new ATOM 0 HA ASP A 104 6.225 -14.471 9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.703 -13.805 6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.185 -12.239 7.518 1.00 0.00 H new ATOM 1688 N THR A 105 5.592 -13.204 11.440 1.00 0.00 N ATOM 1689 CA THR A 105 5.583 -12.396 12.659 1.00 0.00 C ATOM 1690 C THR A 105 6.984 -11.805 12.904 1.00 0.00 C ATOM 1691 O THR A 105 7.163 -10.581 12.981 1.00 0.00 O ATOM 1692 CB THR A 105 5.102 -13.251 13.889 1.00 0.00 C ATOM 1693 OG1 THR A 105 5.998 -14.355 14.126 1.00 0.00 O ATOM 1694 CG2 THR A 105 3.679 -13.806 13.682 1.00 0.00 C ATOM 0 H THR A 105 5.682 -14.205 11.614 1.00 0.00 H new ATOM 0 HA THR A 105 4.878 -11.574 12.535 1.00 0.00 H new ATOM 0 HB THR A 105 5.097 -12.583 14.751 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.682 -14.873 14.896 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.386 -14.390 14.554 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.982 -12.979 13.548 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.662 -14.442 12.797 1.00 0.00 H new ATOM 1702 N CYS A 106 7.970 -12.701 12.991 1.00 0.00 N ATOM 1703 CA CYS A 106 9.376 -12.361 13.225 1.00 0.00 C ATOM 1704 C CYS A 106 10.272 -13.391 12.520 1.00 0.00 C ATOM 1705 O CYS A 106 9.796 -14.440 12.060 1.00 0.00 O ATOM 1706 CB CYS A 106 9.669 -12.333 14.746 1.00 0.00 C ATOM 1707 SG CYS A 106 8.689 -11.128 15.683 1.00 0.00 S ATOM 0 H CYS A 106 7.810 -13.704 12.899 1.00 0.00 H new ATOM 0 HA CYS A 106 9.585 -11.372 12.819 1.00 0.00 H new ATOM 0 HB2 CYS A 106 9.487 -13.327 15.156 1.00 0.00 H new ATOM 0 HB3 CYS A 106 10.727 -12.115 14.895 1.00 0.00 H new ATOM 0 HG CYS A 106 7.952 -10.437 14.864 1.00 0.00 H new ATOM 1713 N ASP A 107 11.580 -13.103 12.483 1.00 0.00 N ATOM 1714 CA ASP A 107 12.603 -13.966 11.841 1.00 0.00 C ATOM 1715 C ASP A 107 13.121 -15.049 12.822 1.00 0.00 C ATOM 1716 O ASP A 107 14.262 -15.498 12.726 1.00 0.00 O ATOM 1717 CB ASP A 107 13.763 -13.070 11.309 1.00 0.00 C ATOM 1718 CG ASP A 107 14.495 -12.285 12.419 1.00 0.00 C ATOM 1719 OD1 ASP A 107 13.880 -11.362 13.005 1.00 0.00 O ATOM 1720 OD2 ASP A 107 15.671 -12.589 12.716 1.00 0.00 O ATOM 0 H ASP A 107 11.970 -12.258 12.900 1.00 0.00 H new ATOM 0 HA ASP A 107 12.152 -14.496 11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.483 -13.697 10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.362 -12.365 10.581 1.00 0.00 H new ATOM 1725 N LYS A 108 12.218 -15.515 13.711 1.00 0.00 N ATOM 1726 CA LYS A 108 12.511 -16.528 14.752 1.00 0.00 C ATOM 1727 C LYS A 108 12.637 -17.956 14.165 1.00 0.00 C ATOM 1728 O LYS A 108 12.894 -18.916 14.897 1.00 0.00 O ATOM 1729 CB LYS A 108 11.400 -16.465 15.837 1.00 0.00 C ATOM 1730 CG LYS A 108 9.958 -16.714 15.321 1.00 0.00 C ATOM 1731 CD LYS A 108 8.842 -16.320 16.340 1.00 0.00 C ATOM 1732 CE LYS A 108 8.739 -17.247 17.581 1.00 0.00 C ATOM 1733 NZ LYS A 108 9.881 -17.107 18.530 1.00 0.00 N ATOM 0 H LYS A 108 11.250 -15.194 13.727 1.00 0.00 H new ATOM 0 HA LYS A 108 13.479 -16.298 15.198 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.625 -17.202 16.608 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.434 -15.485 16.313 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.810 -16.150 14.400 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.850 -17.769 15.070 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.023 -15.300 16.679 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.882 -16.319 15.824 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.810 -17.030 18.109 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.681 -18.283 17.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.527 -17.145 19.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.557 -17.882 18.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.356 -16.196 18.369 1.00 0.00 H new ATOM 1747 N LYS A 109 12.443 -18.068 12.840 1.00 0.00 N ATOM 1748 CA LYS A 109 12.626 -19.309 12.070 1.00 0.00 C ATOM 1749 C LYS A 109 13.344 -18.993 10.747 1.00 0.00 C ATOM 1750 O LYS A 109 13.517 -17.819 10.391 1.00 0.00 O ATOM 1751 CB LYS A 109 11.249 -19.983 11.822 1.00 0.00 C ATOM 1752 CG LYS A 109 10.191 -19.082 11.127 1.00 0.00 C ATOM 1753 CD LYS A 109 8.817 -19.784 10.975 1.00 0.00 C ATOM 1754 CE LYS A 109 8.175 -20.153 12.324 1.00 0.00 C ATOM 1755 NZ LYS A 109 6.920 -20.927 12.149 1.00 0.00 N ATOM 0 H LYS A 109 12.148 -17.281 12.262 1.00 0.00 H new ATOM 0 HA LYS A 109 13.244 -20.007 12.634 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.402 -20.874 11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 109 10.847 -20.317 12.779 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.065 -18.166 11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 109 10.557 -18.791 10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 109 8.141 -19.130 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 109 8.942 -20.688 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.882 -20.736 12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.965 -19.243 12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.520 -21.155 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.236 -20.361 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.124 -21.808 11.635 1.00 0.00 H new ATOM 1769 N ASN A 110 13.764 -20.046 10.027 1.00 0.00 N ATOM 1770 CA ASN A 110 14.510 -19.904 8.761 1.00 0.00 C ATOM 1771 C ASN A 110 13.892 -20.847 7.699 1.00 0.00 C ATOM 1772 O ASN A 110 14.298 -22.022 7.605 1.00 0.00 O ATOM 1773 CB ASN A 110 16.025 -20.178 9.009 1.00 0.00 C ATOM 1774 CG ASN A 110 16.879 -20.029 7.743 1.00 0.00 C ATOM 1775 OD1 ASN A 110 17.182 -21.011 7.057 1.00 0.00 O ATOM 1776 ND2 ASN A 110 17.245 -18.800 7.405 1.00 0.00 N ATOM 1777 OXT ASN A 110 12.956 -20.417 7.002 1.00 0.00 O ATOM 0 H ASN A 110 13.599 -21.014 10.302 1.00 0.00 H new ATOM 0 HA ASN A 110 14.432 -18.886 8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 110 16.392 -19.490 9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 110 16.146 -21.186 9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.792 -18.646 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 110 16.979 -18.009 7.992 1.00 0.00 H new TER 1784 ASN A 110