USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 791 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 88 SER OG : rot 180:sc= 0.204 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.421 K(o=-0.17,f=-0.86) USER MOD Set 1.3: A 91 LYS NZ :NH3+ -155:sc= 0.0449 (180deg=0) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -0.357 K(o=-0.58,f=-2.5!) USER MOD Set 2.2: A 86 THR OG1 : rot -91:sc= -0.223 USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot -86:sc= 2.25 USER MOD Set 4.2: A 21 ASN : amide:sc= -0.615! X(o=1.6!,f=1.2) USER MOD Set 5.1: A 2 GLN :FLIP amide:sc= -0.0428 X(o=-0.31,f=-0.043) USER MOD Set 5.2: A 31 HIS :FLIP no HD1:sc= 0 X(o=-0.16,f=-0.043) USER MOD Single : A 1 ILE N :NH3+ 170:sc= -0.361 (180deg=-0.593) USER MOD Single : A 4 THR OG1 : rot 20:sc= 0.546 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 10 TYR OH : rot 68:sc= 0.612 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -2.25! C(o=-2.3!,f=-5.8!) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.158 (180deg=-0.768) USER MOD Single : A 24 ASN : amide:sc= -3.74! C(o=-3.7!,f=-4.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 170:sc= -0.0416 USER MOD Single : A 33 SER OG : rot -103:sc= 0.0219 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.83) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0329) USER MOD Single : A 51 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=-0.018) USER MOD Single : A 52 SER OG : rot 180:sc= 0.235 USER MOD Single : A 55 SER OG : rot -110:sc= 0.765 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 1.05 (180deg=0.615) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 87:sc= 1.27 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 83:sc= 0.107 USER MOD Single : A 73 THR OG1 : rot -30:sc= 1 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -163:sc= 0.0149 USER MOD Single : A 83 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.7) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 1 (180deg=-0.0791!) USER MOD Single : A 99 MET CE :methyl -171:sc=-0.00732 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.116 -8.452 -5.499 1.00 0.00 N ATOM 2 CA ILE A 1 -20.982 -9.343 -5.164 1.00 0.00 C ATOM 3 C ILE A 1 -19.807 -8.554 -4.601 1.00 0.00 C ATOM 4 O ILE A 1 -18.659 -9.006 -4.679 1.00 0.00 O ATOM 5 CB ILE A 1 -20.493 -10.136 -6.406 1.00 0.00 C ATOM 6 CG1 ILE A 1 -20.164 -9.189 -7.580 1.00 0.00 C ATOM 7 CG2 ILE A 1 -21.536 -11.165 -6.818 1.00 0.00 C ATOM 8 CD1 ILE A 1 -19.659 -9.907 -8.814 1.00 0.00 C ATOM 0 H1 ILE A 1 -22.831 -8.986 -6.033 1.00 0.00 H new ATOM 0 H2 ILE A 1 -22.540 -8.085 -4.623 1.00 0.00 H new ATOM 0 H3 ILE A 1 -21.774 -7.658 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.349 -10.041 -4.412 1.00 0.00 H new ATOM 0 HB ILE A 1 -19.575 -10.658 -6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -21.058 -8.622 -7.840 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -19.413 -8.469 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -21.181 -11.714 -7.690 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -21.706 -11.860 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -22.469 -10.659 -7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -19.448 -9.179 -9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -18.747 -10.452 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -20.418 -10.607 -9.164 1.00 0.00 H new ATOM 19 N GLN A 2 -20.094 -7.381 -4.019 1.00 0.00 N ATOM 20 CA GLN A 2 -19.057 -6.493 -3.498 1.00 0.00 C ATOM 21 C GLN A 2 -18.118 -6.065 -4.639 1.00 0.00 C ATOM 22 O GLN A 2 -18.336 -6.423 -5.800 1.00 0.00 O ATOM 23 CB GLN A 2 -18.288 -7.206 -2.369 1.00 0.00 C ATOM 24 CG GLN A 2 -17.677 -6.278 -1.328 1.00 0.00 C ATOM 25 CD GLN A 2 -18.722 -5.675 -0.406 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.260 -4.528 -0.783 1.00 0.00 O flip ATOM 27 NE2 GLN A 2 -19.041 -6.237 0.640 1.00 0.00 N flip ATOM 0 H GLN A 2 -21.043 -7.028 -3.899 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.511 -5.593 -3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.966 -7.897 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.493 -7.805 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.949 -6.831 -0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.136 -5.477 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.604 -7.122 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.743 -5.819 1.250 1.00 0.00 H new ATOM 36 N ARG A 3 -17.098 -5.280 -4.330 1.00 0.00 N ATOM 37 CA ARG A 3 -16.140 -4.861 -5.346 1.00 0.00 C ATOM 38 C ARG A 3 -14.722 -5.141 -4.876 1.00 0.00 C ATOM 39 O ARG A 3 -14.399 -4.927 -3.708 1.00 0.00 O ATOM 40 CB ARG A 3 -16.312 -3.371 -5.679 1.00 0.00 C ATOM 41 CG ARG A 3 -15.314 -2.859 -6.729 1.00 0.00 C ATOM 42 CD ARG A 3 -15.851 -1.673 -7.535 1.00 0.00 C ATOM 43 NE ARG A 3 -16.150 -0.516 -6.697 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.187 0.298 -6.893 1.00 0.00 C ATOM 45 NH1 ARG A 3 -18.058 0.059 -7.869 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.354 1.356 -6.108 1.00 0.00 N ATOM 0 H ARG A 3 -16.911 -4.922 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.329 -5.434 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.326 -3.202 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.198 -2.787 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.390 -2.565 -6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.064 -3.671 -7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.118 -1.390 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.754 -1.977 -8.064 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.527 -0.318 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.935 -0.752 -8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.849 0.687 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.690 1.544 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.147 1.981 -6.256 1.00 0.00 H new ATOM 60 N THR A 4 -13.887 -5.633 -5.785 1.00 0.00 N ATOM 61 CA THR A 4 -12.521 -5.989 -5.446 1.00 0.00 C ATOM 62 C THR A 4 -11.671 -4.736 -5.227 1.00 0.00 C ATOM 63 O THR A 4 -11.546 -3.901 -6.129 1.00 0.00 O ATOM 64 CB THR A 4 -11.866 -6.871 -6.540 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.660 -6.116 -7.739 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.725 -8.079 -6.874 1.00 0.00 C ATOM 0 H THR A 4 -14.136 -5.793 -6.761 1.00 0.00 H new ATOM 0 HA THR A 4 -12.564 -6.564 -4.521 1.00 0.00 H new ATOM 0 HB THR A 4 -10.910 -7.212 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.680 -5.159 -7.530 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.233 -8.673 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.862 -8.687 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.697 -7.745 -7.238 1.00 0.00 H new ATOM 74 N PRO A 5 -11.104 -4.569 -4.020 1.00 0.00 N ATOM 75 CA PRO A 5 -10.179 -3.484 -3.742 1.00 0.00 C ATOM 76 C PRO A 5 -8.870 -3.717 -4.476 1.00 0.00 C ATOM 77 O PRO A 5 -8.266 -4.788 -4.377 1.00 0.00 O ATOM 78 CB PRO A 5 -9.974 -3.525 -2.219 1.00 0.00 C ATOM 79 CG PRO A 5 -10.980 -4.503 -1.698 1.00 0.00 C ATOM 80 CD PRO A 5 -11.312 -5.417 -2.846 1.00 0.00 C ATOM 0 HA PRO A 5 -10.554 -2.515 -4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.960 -3.837 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.122 -2.539 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.576 -5.066 -0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.872 -3.990 -1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.665 -6.294 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.338 -5.780 -2.788 1.00 0.00 H new ATOM 88 N LYS A 6 -8.451 -2.725 -5.227 1.00 0.00 N ATOM 89 CA LYS A 6 -7.334 -2.884 -6.130 1.00 0.00 C ATOM 90 C LYS A 6 -6.062 -2.343 -5.503 1.00 0.00 C ATOM 91 O LYS A 6 -6.097 -1.362 -4.756 1.00 0.00 O ATOM 92 CB LYS A 6 -7.655 -2.159 -7.437 1.00 0.00 C ATOM 93 CG LYS A 6 -6.691 -2.427 -8.576 1.00 0.00 C ATOM 94 CD LYS A 6 -7.155 -1.713 -9.832 1.00 0.00 C ATOM 95 CE LYS A 6 -6.284 -2.027 -11.033 1.00 0.00 C ATOM 96 NZ LYS A 6 -6.805 -1.370 -12.260 1.00 0.00 N ATOM 0 H LYS A 6 -8.869 -1.795 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.171 -3.942 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.658 -2.444 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.675 -1.086 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.691 -2.088 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.624 -3.499 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.184 -1.998 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.153 -0.637 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.264 -1.693 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.243 -3.106 -11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.190 -1.602 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.770 -1.708 -12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.821 -0.339 -12.122 1.00 0.00 H new ATOM 110 N ILE A 7 -4.946 -2.992 -5.799 1.00 0.00 N ATOM 111 CA ILE A 7 -3.673 -2.615 -5.209 1.00 0.00 C ATOM 112 C ILE A 7 -2.954 -1.616 -6.087 1.00 0.00 C ATOM 113 O ILE A 7 -2.776 -1.840 -7.287 1.00 0.00 O ATOM 114 CB ILE A 7 -2.729 -3.815 -5.022 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.507 -5.068 -4.645 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.686 -3.496 -3.957 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.322 -4.917 -3.392 1.00 0.00 C ATOM 0 H ILE A 7 -4.897 -3.781 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.913 -2.189 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.223 -4.006 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.169 -5.336 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.808 -5.894 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.022 -4.351 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.105 -2.627 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.185 -3.282 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.849 -5.849 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.664 -4.680 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.046 -4.113 -3.523 1.00 0.00 H new ATOM 129 N GLN A 8 -2.536 -0.520 -5.491 1.00 0.00 N ATOM 130 CA GLN A 8 -1.700 0.445 -6.190 1.00 0.00 C ATOM 131 C GLN A 8 -0.625 0.931 -5.206 1.00 0.00 C ATOM 132 O GLN A 8 -0.937 1.517 -4.168 1.00 0.00 O ATOM 133 CB GLN A 8 -2.555 1.640 -6.728 1.00 0.00 C ATOM 134 CG GLN A 8 -4.051 1.378 -6.628 1.00 0.00 C ATOM 135 CD GLN A 8 -4.901 2.627 -6.786 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.993 2.723 -6.223 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.415 3.596 -7.546 1.00 0.00 N ATOM 0 H GLN A 8 -2.758 -0.271 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.230 -0.020 -7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.309 2.541 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.292 1.832 -7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.336 0.656 -7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.267 0.922 -5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.507 3.483 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.948 4.455 -7.680 1.00 0.00 H new ATOM 146 N VAL A 9 0.631 0.657 -5.532 1.00 0.00 N ATOM 147 CA VAL A 9 1.752 1.006 -4.665 1.00 0.00 C ATOM 148 C VAL A 9 2.858 1.685 -5.466 1.00 0.00 C ATOM 149 O VAL A 9 3.232 1.225 -6.547 1.00 0.00 O ATOM 150 CB VAL A 9 2.312 -0.230 -3.873 1.00 0.00 C ATOM 151 CG1 VAL A 9 1.966 -1.557 -4.535 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.823 -0.135 -3.687 1.00 0.00 C ATOM 0 H VAL A 9 0.902 0.190 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 9 1.373 1.707 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 9 1.826 -0.203 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.378 -2.376 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.883 -1.662 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.390 -1.584 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.177 -1.006 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.308 -0.101 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.065 0.770 -3.130 1.00 0.00 H new ATOM 162 N TYR A 10 3.355 2.796 -4.932 1.00 0.00 N ATOM 163 CA TYR A 10 4.397 3.577 -5.580 1.00 0.00 C ATOM 164 C TYR A 10 5.118 4.447 -4.552 1.00 0.00 C ATOM 165 O TYR A 10 4.663 4.590 -3.419 1.00 0.00 O ATOM 166 CB TYR A 10 3.799 4.451 -6.693 1.00 0.00 C ATOM 167 CG TYR A 10 2.776 5.464 -6.220 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.418 5.171 -6.237 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.169 6.717 -5.765 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.482 6.097 -5.815 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.241 7.645 -5.340 1.00 0.00 C ATOM 172 CZ TYR A 10 0.900 7.332 -5.367 1.00 0.00 C ATOM 173 OH TYR A 10 -0.026 8.258 -4.944 1.00 0.00 O ATOM 0 H TYR A 10 3.046 3.178 -4.038 1.00 0.00 H new ATOM 0 HA TYR A 10 5.118 2.893 -6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.609 4.980 -7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.333 3.803 -7.435 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.088 4.204 -6.586 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.219 6.969 -5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.570 5.854 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.565 8.613 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.447 7.945 -4.117 1.00 0.00 H new ATOM 183 N SER A 11 6.245 5.015 -4.949 1.00 0.00 N ATOM 184 CA SER A 11 7.017 5.885 -4.074 1.00 0.00 C ATOM 185 C SER A 11 6.497 7.316 -4.156 1.00 0.00 C ATOM 186 O SER A 11 6.186 7.809 -5.243 1.00 0.00 O ATOM 187 CB SER A 11 8.489 5.829 -4.487 1.00 0.00 C ATOM 188 OG SER A 11 9.272 6.750 -3.752 1.00 0.00 O ATOM 0 H SER A 11 6.648 4.889 -5.877 1.00 0.00 H new ATOM 0 HA SER A 11 6.916 5.546 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.872 4.820 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.577 6.044 -5.552 1.00 0.00 H new ATOM 0 HG SER A 11 9.248 7.625 -4.193 1.00 0.00 H new ATOM 194 N ARG A 12 6.396 7.972 -2.998 1.00 0.00 N ATOM 195 CA ARG A 12 5.914 9.352 -2.938 1.00 0.00 C ATOM 196 C ARG A 12 6.927 10.283 -3.613 1.00 0.00 C ATOM 197 O ARG A 12 6.578 11.067 -4.494 1.00 0.00 O ATOM 198 CB ARG A 12 5.694 9.767 -1.467 1.00 0.00 C ATOM 199 CG ARG A 12 4.610 10.827 -1.228 1.00 0.00 C ATOM 200 CD ARG A 12 4.653 11.954 -2.237 1.00 0.00 C ATOM 201 NE ARG A 12 3.606 11.805 -3.248 1.00 0.00 N ATOM 202 CZ ARG A 12 3.522 12.525 -4.365 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.379 13.512 -4.595 1.00 0.00 N ATOM 204 NH2 ARG A 12 2.554 12.267 -5.235 1.00 0.00 N ATOM 0 H ARG A 12 6.641 7.571 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 12 4.963 9.427 -3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.438 8.877 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.637 10.143 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.630 10.351 -1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.727 11.239 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.533 12.908 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.629 11.973 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 12 2.888 11.098 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.108 13.723 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.308 14.059 -5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.883 11.523 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.481 12.813 -6.094 1.00 0.00 H new ATOM 218 N HIS A 13 8.177 10.182 -3.198 1.00 0.00 N ATOM 219 CA HIS A 13 9.246 11.025 -3.714 1.00 0.00 C ATOM 220 C HIS A 13 10.123 10.213 -4.682 1.00 0.00 C ATOM 221 O HIS A 13 9.785 9.064 -4.981 1.00 0.00 O ATOM 222 CB HIS A 13 10.081 11.545 -2.531 1.00 0.00 C ATOM 223 CG HIS A 13 9.349 12.500 -1.632 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.623 12.550 -0.284 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.368 13.403 -1.915 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.818 13.466 0.218 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.042 14.006 -0.730 1.00 0.00 N ATOM 0 H HIS A 13 8.482 9.512 -2.492 1.00 0.00 H new ATOM 0 HA HIS A 13 8.829 11.872 -4.258 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.421 10.695 -1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.972 12.039 -2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.934 13.603 -2.883 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.788 13.745 1.261 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.338 14.732 -0.594 1.00 0.00 H new ATOM 235 N PRO A 14 11.235 10.776 -5.216 1.00 0.00 N ATOM 236 CA PRO A 14 12.183 9.991 -6.018 1.00 0.00 C ATOM 237 C PRO A 14 12.814 8.858 -5.209 1.00 0.00 C ATOM 238 O PRO A 14 13.633 9.094 -4.317 1.00 0.00 O ATOM 239 CB PRO A 14 13.261 11.000 -6.438 1.00 0.00 C ATOM 240 CG PRO A 14 13.100 12.175 -5.511 1.00 0.00 C ATOM 241 CD PRO A 14 11.640 12.199 -5.126 1.00 0.00 C ATOM 0 HA PRO A 14 11.687 9.516 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.258 10.567 -6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.132 11.301 -7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.735 12.069 -4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.390 13.104 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.497 12.594 -4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.057 12.826 -5.801 1.00 0.00 H new ATOM 249 N ALA A 15 12.413 7.632 -5.524 1.00 0.00 N ATOM 250 CA ALA A 15 12.939 6.447 -4.872 1.00 0.00 C ATOM 251 C ALA A 15 14.440 6.342 -5.070 1.00 0.00 C ATOM 252 O ALA A 15 14.919 6.272 -6.205 1.00 0.00 O ATOM 253 CB ALA A 15 12.269 5.208 -5.430 1.00 0.00 C ATOM 0 H ALA A 15 11.713 7.435 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 15 12.731 6.526 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.670 4.323 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.195 5.266 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.460 5.142 -6.501 1.00 0.00 H new ATOM 259 N GLU A 16 15.179 6.332 -3.979 1.00 0.00 N ATOM 260 CA GLU A 16 16.621 6.227 -4.058 1.00 0.00 C ATOM 261 C GLU A 16 17.148 5.134 -3.134 1.00 0.00 C ATOM 262 O GLU A 16 16.745 5.030 -1.977 1.00 0.00 O ATOM 263 CB GLU A 16 17.269 7.567 -3.718 1.00 0.00 C ATOM 264 CG GLU A 16 18.766 7.592 -3.986 1.00 0.00 C ATOM 265 CD GLU A 16 19.103 7.312 -5.435 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.182 6.123 -5.814 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.285 8.282 -6.204 1.00 0.00 O ATOM 0 H GLU A 16 14.807 6.395 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 16 16.883 5.956 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.789 8.354 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.090 7.794 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.165 8.567 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.257 6.853 -3.353 1.00 0.00 H new ATOM 274 N ASN A 17 18.047 4.323 -3.671 1.00 0.00 N ATOM 275 CA ASN A 17 18.660 3.225 -2.927 1.00 0.00 C ATOM 276 C ASN A 17 19.776 3.744 -2.030 1.00 0.00 C ATOM 277 O ASN A 17 20.688 4.437 -2.481 1.00 0.00 O ATOM 278 CB ASN A 17 19.172 2.148 -3.903 1.00 0.00 C ATOM 279 CG ASN A 17 20.359 1.338 -3.384 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.476 1.043 -2.193 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.256 0.973 -4.286 1.00 0.00 N ATOM 0 H ASN A 17 18.374 4.405 -4.634 1.00 0.00 H new ATOM 0 HA ASN A 17 17.909 2.767 -2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.354 1.465 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.457 2.629 -4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.073 0.432 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.130 1.233 -5.264 1.00 0.00 H new ATOM 288 N GLY A 18 19.678 3.405 -0.753 1.00 0.00 N ATOM 289 CA GLY A 18 20.630 3.872 0.230 1.00 0.00 C ATOM 290 C GLY A 18 20.204 5.216 0.758 1.00 0.00 C ATOM 291 O GLY A 18 21.016 6.012 1.226 1.00 0.00 O ATOM 0 H GLY A 18 18.943 2.805 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.701 3.156 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.621 3.945 -0.217 1.00 0.00 H new ATOM 295 N LYS A 19 18.913 5.470 0.653 1.00 0.00 N ATOM 296 CA LYS A 19 18.354 6.749 1.009 1.00 0.00 C ATOM 297 C LYS A 19 17.004 6.580 1.678 1.00 0.00 C ATOM 298 O LYS A 19 16.263 5.643 1.381 1.00 0.00 O ATOM 299 CB LYS A 19 18.210 7.572 -0.258 1.00 0.00 C ATOM 300 CG LYS A 19 17.662 8.964 -0.030 1.00 0.00 C ATOM 301 CD LYS A 19 18.569 9.817 0.814 1.00 0.00 C ATOM 302 CE LYS A 19 18.085 11.260 0.850 1.00 0.00 C ATOM 303 NZ LYS A 19 17.985 11.844 -0.513 1.00 0.00 N ATOM 0 H LYS A 19 18.228 4.793 0.318 1.00 0.00 H new ATOM 0 HA LYS A 19 19.013 7.253 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.184 7.651 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.554 7.043 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.506 9.450 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.687 8.891 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 19 18.610 9.418 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.583 9.780 0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.111 11.304 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.769 11.858 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.005 12.882 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.786 11.517 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.093 11.542 -0.955 1.00 0.00 H new ATOM 317 N SER A 20 16.701 7.489 2.583 1.00 0.00 N ATOM 318 CA SER A 20 15.430 7.497 3.263 1.00 0.00 C ATOM 319 C SER A 20 14.364 8.081 2.346 1.00 0.00 C ATOM 320 O SER A 20 14.585 9.098 1.688 1.00 0.00 O ATOM 321 CB SER A 20 15.546 8.316 4.537 1.00 0.00 C ATOM 322 OG SER A 20 16.522 7.771 5.414 1.00 0.00 O ATOM 0 H SER A 20 17.331 8.240 2.864 1.00 0.00 H new ATOM 0 HA SER A 20 15.143 6.478 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.811 9.344 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.580 8.349 5.040 1.00 0.00 H new ATOM 0 HG SER A 20 16.576 8.319 6.224 1.00 0.00 H new ATOM 328 N ASN A 21 13.215 7.443 2.315 1.00 0.00 N ATOM 329 CA ASN A 21 12.182 7.778 1.348 1.00 0.00 C ATOM 330 C ASN A 21 10.808 7.513 1.957 1.00 0.00 C ATOM 331 O ASN A 21 10.715 6.989 3.068 1.00 0.00 O ATOM 332 CB ASN A 21 12.406 6.923 0.087 1.00 0.00 C ATOM 333 CG ASN A 21 11.651 7.425 -1.125 1.00 0.00 C ATOM 334 OD1 ASN A 21 12.085 8.344 -1.813 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.527 6.797 -1.407 1.00 0.00 N ATOM 0 H ASN A 21 12.967 6.684 2.950 1.00 0.00 H new ATOM 0 HA ASN A 21 12.231 8.833 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.471 6.900 -0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.103 5.897 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.982 7.070 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.203 6.038 -0.808 1.00 0.00 H new ATOM 342 N PHE A 22 9.742 7.861 1.240 1.00 0.00 N ATOM 343 CA PHE A 22 8.387 7.667 1.735 1.00 0.00 C ATOM 344 C PHE A 22 7.616 6.759 0.788 1.00 0.00 C ATOM 345 O PHE A 22 7.556 7.012 -0.421 1.00 0.00 O ATOM 346 CB PHE A 22 7.646 9.003 1.853 1.00 0.00 C ATOM 347 CG PHE A 22 8.059 9.870 3.006 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.263 10.554 2.994 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.219 10.018 4.097 1.00 0.00 C ATOM 350 CE1 PHE A 22 9.623 11.363 4.056 1.00 0.00 C ATOM 351 CE2 PHE A 22 7.569 10.824 5.157 1.00 0.00 C ATOM 352 CZ PHE A 22 8.774 11.498 5.139 1.00 0.00 C ATOM 0 H PHE A 22 9.794 8.280 0.311 1.00 0.00 H new ATOM 0 HA PHE A 22 8.453 7.211 2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.792 9.563 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.578 8.800 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.927 10.455 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.275 9.493 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.566 11.889 4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.903 10.929 6.000 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.053 12.130 5.969 1.00 0.00 H new ATOM 362 N LEU A 23 7.039 5.704 1.330 1.00 0.00 N ATOM 363 CA LEU A 23 6.217 4.795 0.545 1.00 0.00 C ATOM 364 C LEU A 23 4.791 5.297 0.540 1.00 0.00 C ATOM 365 O LEU A 23 4.388 6.040 1.430 1.00 0.00 O ATOM 366 CB LEU A 23 6.240 3.400 1.162 1.00 0.00 C ATOM 367 CG LEU A 23 6.548 2.211 0.226 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.473 0.910 1.011 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.604 2.139 -0.968 1.00 0.00 C ATOM 0 H LEU A 23 7.123 5.452 2.315 1.00 0.00 H new ATOM 0 HA LEU A 23 6.609 4.749 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.980 3.398 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.270 3.221 1.625 1.00 0.00 H new ATOM 0 HG LEU A 23 7.553 2.364 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.691 0.072 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.202 0.931 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.472 0.793 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.869 1.284 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.579 2.027 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.688 3.054 -1.554 1.00 0.00 H new ATOM 381 N ASN A 24 4.045 4.891 -0.457 1.00 0.00 N ATOM 382 CA ASN A 24 2.611 5.122 -0.485 1.00 0.00 C ATOM 383 C ASN A 24 1.921 3.910 -1.070 1.00 0.00 C ATOM 384 O ASN A 24 2.170 3.531 -2.217 1.00 0.00 O ATOM 385 CB ASN A 24 2.225 6.377 -1.284 1.00 0.00 C ATOM 386 CG ASN A 24 2.147 7.635 -0.435 1.00 0.00 C ATOM 387 OD1 ASN A 24 1.938 7.578 0.776 1.00 0.00 O ATOM 388 ND2 ASN A 24 2.266 8.784 -1.078 1.00 0.00 N ATOM 0 H ASN A 24 4.406 4.393 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 24 2.287 5.289 0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.954 6.530 -2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.260 6.211 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.185 9.664 -0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.439 8.790 -2.083 1.00 0.00 H new ATOM 395 N CYS A 25 1.049 3.312 -0.288 1.00 0.00 N ATOM 396 CA CYS A 25 0.313 2.149 -0.723 1.00 0.00 C ATOM 397 C CYS A 25 -1.166 2.400 -0.496 1.00 0.00 C ATOM 398 O CYS A 25 -1.619 2.635 0.628 1.00 0.00 O ATOM 399 CB CYS A 25 0.855 0.892 -0.030 1.00 0.00 C ATOM 400 SG CYS A 25 2.375 0.287 -0.835 1.00 0.00 S ATOM 0 H CYS A 25 0.832 3.617 0.661 1.00 0.00 H new ATOM 0 HA CYS A 25 0.445 1.969 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.060 1.113 1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.096 0.110 -0.048 1.00 0.00 H new ATOM 405 N TYR A 26 -1.899 2.380 -1.596 1.00 0.00 N ATOM 406 CA TYR A 26 -3.264 2.860 -1.634 1.00 0.00 C ATOM 407 C TYR A 26 -4.197 1.718 -1.971 1.00 0.00 C ATOM 408 O TYR A 26 -3.988 1.006 -2.955 1.00 0.00 O ATOM 409 CB TYR A 26 -3.427 3.961 -2.696 1.00 0.00 C ATOM 410 CG TYR A 26 -3.010 5.377 -2.302 1.00 0.00 C ATOM 411 CD1 TYR A 26 -3.966 6.311 -1.900 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.688 5.810 -2.409 1.00 0.00 C ATOM 413 CE1 TYR A 26 -3.618 7.619 -1.619 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.335 7.115 -2.116 1.00 0.00 C ATOM 415 CZ TYR A 26 -2.303 8.016 -1.729 1.00 0.00 C ATOM 416 OH TYR A 26 -1.953 9.320 -1.455 1.00 0.00 O ATOM 0 H TYR A 26 -1.559 2.028 -2.491 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.507 3.270 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.851 3.671 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.474 3.988 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.998 6.006 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.926 5.113 -2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.374 8.327 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.304 7.427 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.988 9.433 -1.580 1.00 0.00 H new ATOM 426 N VAL A 27 -5.202 1.529 -1.146 1.00 0.00 N ATOM 427 CA VAL A 27 -6.237 0.561 -1.434 1.00 0.00 C ATOM 428 C VAL A 27 -7.583 1.266 -1.399 1.00 0.00 C ATOM 429 O VAL A 27 -8.055 1.657 -0.334 1.00 0.00 O ATOM 430 CB VAL A 27 -6.230 -0.612 -0.435 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.989 -1.788 -1.016 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.810 -1.020 -0.073 1.00 0.00 C ATOM 0 H VAL A 27 -5.325 2.034 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.049 0.139 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.724 -0.286 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.980 -2.614 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.019 -1.493 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.514 -2.104 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.839 -1.850 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.279 -1.328 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.293 -0.175 0.381 1.00 0.00 H new ATOM 442 N SER A 28 -8.175 1.477 -2.566 1.00 0.00 N ATOM 443 CA SER A 28 -9.408 2.247 -2.662 1.00 0.00 C ATOM 444 C SER A 28 -10.341 1.683 -3.731 1.00 0.00 C ATOM 445 O SER A 28 -10.027 0.682 -4.380 1.00 0.00 O ATOM 446 CB SER A 28 -9.077 3.710 -2.967 1.00 0.00 C ATOM 447 OG SER A 28 -8.185 4.233 -1.994 1.00 0.00 O ATOM 0 H SER A 28 -7.823 1.127 -3.457 1.00 0.00 H new ATOM 0 HA SER A 28 -9.926 2.181 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.630 3.789 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.993 4.300 -2.983 1.00 0.00 H new ATOM 0 HG SER A 28 -7.858 5.109 -2.287 1.00 0.00 H new ATOM 453 N GLY A 29 -11.499 2.322 -3.886 1.00 0.00 N ATOM 454 CA GLY A 29 -12.459 1.906 -4.890 1.00 0.00 C ATOM 455 C GLY A 29 -13.314 0.749 -4.420 1.00 0.00 C ATOM 456 O GLY A 29 -13.848 -0.011 -5.229 1.00 0.00 O ATOM 0 H GLY A 29 -11.789 3.126 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.101 2.749 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.930 1.619 -5.799 1.00 0.00 H new ATOM 460 N PHE A 30 -13.447 0.615 -3.111 1.00 0.00 N ATOM 461 CA PHE A 30 -14.175 -0.503 -2.528 1.00 0.00 C ATOM 462 C PHE A 30 -15.210 -0.023 -1.514 1.00 0.00 C ATOM 463 O PHE A 30 -15.365 1.178 -1.288 1.00 0.00 O ATOM 464 CB PHE A 30 -13.194 -1.442 -1.818 1.00 0.00 C ATOM 465 CG PHE A 30 -12.513 -0.782 -0.646 1.00 0.00 C ATOM 466 CD1 PHE A 30 -12.985 -0.969 0.643 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.420 0.043 -0.838 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.378 -0.341 1.715 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.811 0.670 0.229 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.291 0.478 1.506 1.00 0.00 C ATOM 0 H PHE A 30 -13.060 1.267 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.688 -1.025 -3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.728 -2.327 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.440 -1.781 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.836 -1.612 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.038 0.198 -1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.756 -0.493 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.958 1.311 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.815 0.969 2.342 1.00 0.00 H new ATOM 480 N HIS A 31 -15.904 -0.986 -0.919 1.00 0.00 N ATOM 481 CA HIS A 31 -16.781 -0.758 0.215 1.00 0.00 C ATOM 482 C HIS A 31 -17.008 -2.107 0.897 1.00 0.00 C ATOM 483 O HIS A 31 -16.844 -3.140 0.246 1.00 0.00 O ATOM 484 CB HIS A 31 -18.109 -0.102 -0.212 1.00 0.00 C ATOM 485 CG HIS A 31 -18.903 -0.872 -1.227 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.599 -1.175 -2.512 1.00 0.00 N flip ATOM 487 CD2 HIS A 31 -20.155 -1.353 -0.938 1.00 0.00 C flip ATOM 488 CE1 HIS A 31 -19.677 -1.850 -3.029 1.00 0.00 C flip ATOM 489 NE2 HIS A 31 -20.586 -1.931 -2.045 1.00 0.00 N flip ATOM 0 H HIS A 31 -15.870 -1.961 -1.218 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.319 -0.059 0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.726 0.043 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -17.894 0.887 -0.616 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.681 -1.275 0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.774 -2.240 -4.032 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.496 -2.382 -2.140 1.00 0.00 H new ATOM 497 N PRO A 32 -17.345 -2.156 2.202 1.00 0.00 N ATOM 498 CA PRO A 32 -17.557 -0.977 3.065 1.00 0.00 C ATOM 499 C PRO A 32 -16.296 -0.136 3.252 1.00 0.00 C ATOM 500 O PRO A 32 -15.215 -0.507 2.797 1.00 0.00 O ATOM 501 CB PRO A 32 -17.963 -1.586 4.411 1.00 0.00 C ATOM 502 CG PRO A 32 -18.383 -2.978 4.104 1.00 0.00 C ATOM 503 CD PRO A 32 -17.534 -3.407 2.950 1.00 0.00 C ATOM 0 HA PRO A 32 -18.294 -0.302 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.131 -1.573 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.776 -1.022 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.235 -3.631 4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.442 -3.021 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.584 -3.828 3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.027 -4.169 2.346 1.00 0.00 H new ATOM 511 N SER A 33 -16.454 0.996 3.934 1.00 0.00 N ATOM 512 CA SER A 33 -15.360 1.952 4.152 1.00 0.00 C ATOM 513 C SER A 33 -14.312 1.439 5.151 1.00 0.00 C ATOM 514 O SER A 33 -13.874 2.176 6.038 1.00 0.00 O ATOM 515 CB SER A 33 -15.930 3.288 4.641 1.00 0.00 C ATOM 516 OG SER A 33 -17.009 3.706 3.822 1.00 0.00 O ATOM 0 H SER A 33 -17.340 1.280 4.352 1.00 0.00 H new ATOM 0 HA SER A 33 -14.854 2.084 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.268 3.188 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.147 4.047 4.634 1.00 0.00 H new ATOM 0 HG SER A 33 -16.706 4.416 3.219 1.00 0.00 H new ATOM 522 N ASP A 34 -13.915 0.181 5.002 1.00 0.00 N ATOM 523 CA ASP A 34 -12.850 -0.385 5.816 1.00 0.00 C ATOM 524 C ASP A 34 -12.227 -1.611 5.134 1.00 0.00 C ATOM 525 O ASP A 34 -12.927 -2.489 4.626 1.00 0.00 O ATOM 526 CB ASP A 34 -13.361 -0.753 7.227 1.00 0.00 C ATOM 527 CG ASP A 34 -14.111 -2.072 7.286 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.540 -3.059 7.803 1.00 0.00 O ATOM 529 OD2 ASP A 34 -15.279 -2.124 6.845 1.00 0.00 O ATOM 0 H ASP A 34 -14.316 -0.466 4.323 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.078 0.377 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.512 -0.798 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.016 0.042 7.584 1.00 0.00 H new ATOM 534 N ILE A 35 -10.904 -1.625 5.096 1.00 0.00 N ATOM 535 CA ILE A 35 -10.132 -2.762 4.603 1.00 0.00 C ATOM 536 C ILE A 35 -8.858 -2.857 5.425 1.00 0.00 C ATOM 537 O ILE A 35 -8.420 -1.859 6.000 1.00 0.00 O ATOM 538 CB ILE A 35 -9.742 -2.631 3.106 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.298 -3.991 2.546 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.619 -1.616 2.928 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.418 -3.895 1.311 1.00 0.00 C ATOM 0 H ILE A 35 -10.328 -0.843 5.408 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.755 -3.651 4.698 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.620 -2.287 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.758 -4.533 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.183 -4.579 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.361 -1.540 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.947 -0.643 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.744 -1.939 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.148 -4.897 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.961 -3.383 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.513 -3.336 1.551 1.00 0.00 H new ATOM 553 N GLU A 36 -8.273 -4.034 5.516 1.00 0.00 N ATOM 554 CA GLU A 36 -7.015 -4.181 6.213 1.00 0.00 C ATOM 555 C GLU A 36 -5.909 -4.431 5.210 1.00 0.00 C ATOM 556 O GLU A 36 -6.001 -5.337 4.371 1.00 0.00 O ATOM 557 CB GLU A 36 -7.073 -5.336 7.206 1.00 0.00 C ATOM 558 CG GLU A 36 -5.923 -5.337 8.209 1.00 0.00 C ATOM 559 CD GLU A 36 -5.762 -4.009 8.917 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.275 -3.866 10.045 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.113 -3.106 8.356 1.00 0.00 O ATOM 0 H GLU A 36 -8.646 -4.896 5.119 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.816 -3.262 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.017 -5.291 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.066 -6.277 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.092 -6.120 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.996 -5.583 7.692 1.00 0.00 H new ATOM 568 N VAL A 37 -4.869 -3.632 5.301 1.00 0.00 N ATOM 569 CA VAL A 37 -3.758 -3.725 4.379 1.00 0.00 C ATOM 570 C VAL A 37 -2.438 -3.533 5.126 1.00 0.00 C ATOM 571 O VAL A 37 -2.309 -2.656 5.978 1.00 0.00 O ATOM 572 CB VAL A 37 -3.906 -2.735 3.183 1.00 0.00 C ATOM 573 CG1 VAL A 37 -5.053 -1.770 3.409 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.620 -1.970 2.896 1.00 0.00 C ATOM 0 H VAL A 37 -4.769 -2.905 6.010 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.759 -4.724 3.944 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.126 -3.343 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.131 -1.092 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.983 -2.329 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.871 -1.194 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.778 -1.295 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.336 -1.393 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.825 -2.674 2.652 1.00 0.00 H new ATOM 584 N ASP A 38 -1.483 -4.379 4.804 1.00 0.00 N ATOM 585 CA ASP A 38 -0.219 -4.429 5.528 1.00 0.00 C ATOM 586 C ASP A 38 0.950 -4.409 4.553 1.00 0.00 C ATOM 587 O ASP A 38 0.856 -4.959 3.458 1.00 0.00 O ATOM 588 CB ASP A 38 -0.160 -5.682 6.415 1.00 0.00 C ATOM 589 CG ASP A 38 -1.135 -5.650 7.574 1.00 0.00 C ATOM 590 OD1 ASP A 38 -0.819 -5.015 8.601 1.00 0.00 O ATOM 591 OD2 ASP A 38 -2.202 -6.291 7.478 1.00 0.00 O ATOM 0 H ASP A 38 -1.554 -5.050 4.039 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.149 -3.550 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.365 -6.560 5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.852 -5.794 6.805 1.00 0.00 H new ATOM 596 N LEU A 39 2.048 -3.766 4.937 1.00 0.00 N ATOM 597 CA LEU A 39 3.205 -3.650 4.058 1.00 0.00 C ATOM 598 C LEU A 39 4.273 -4.676 4.443 1.00 0.00 C ATOM 599 O LEU A 39 4.454 -4.985 5.624 1.00 0.00 O ATOM 600 CB LEU A 39 3.790 -2.236 4.119 1.00 0.00 C ATOM 601 CG LEU A 39 2.782 -1.085 4.021 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.507 0.251 3.917 1.00 0.00 C ATOM 603 CD2 LEU A 39 1.838 -1.274 2.850 1.00 0.00 C ATOM 0 H LEU A 39 2.160 -3.319 5.847 1.00 0.00 H new ATOM 0 HA LEU A 39 2.878 -3.848 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.340 -2.132 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.513 -2.129 3.311 1.00 0.00 H new ATOM 0 HG LEU A 39 2.183 -1.087 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.776 1.057 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.127 0.398 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.137 0.255 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.137 -0.441 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.411 -1.311 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.287 -2.206 2.974 1.00 0.00 H new ATOM 615 N LEU A 40 4.969 -5.199 3.439 1.00 0.00 N ATOM 616 CA LEU A 40 5.948 -6.266 3.630 1.00 0.00 C ATOM 617 C LEU A 40 7.310 -5.893 3.086 1.00 0.00 C ATOM 618 O LEU A 40 7.489 -4.842 2.485 1.00 0.00 O ATOM 619 CB LEU A 40 5.521 -7.526 2.901 1.00 0.00 C ATOM 620 CG LEU A 40 4.035 -7.820 2.903 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.720 -8.898 1.878 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.572 -8.236 4.288 1.00 0.00 C ATOM 0 H LEU A 40 4.871 -4.896 2.470 1.00 0.00 H new ATOM 0 HA LEU A 40 6.005 -6.428 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.856 -7.455 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.040 -8.374 3.347 1.00 0.00 H new ATOM 0 HG LEU A 40 3.496 -6.913 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.650 -9.105 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.017 -8.556 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.267 -9.808 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.502 -8.442 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.109 -9.133 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.773 -7.432 4.996 1.00 0.00 H new ATOM 634 N LYS A 41 8.270 -6.764 3.345 1.00 0.00 N ATOM 635 CA LYS A 41 9.572 -6.733 2.693 1.00 0.00 C ATOM 636 C LYS A 41 9.929 -8.132 2.231 1.00 0.00 C ATOM 637 O LYS A 41 10.246 -9.000 3.043 1.00 0.00 O ATOM 638 CB LYS A 41 10.639 -6.236 3.649 1.00 0.00 C ATOM 639 CG LYS A 41 10.518 -4.776 4.028 1.00 0.00 C ATOM 640 CD LYS A 41 11.298 -4.503 5.309 1.00 0.00 C ATOM 641 CE LYS A 41 11.176 -3.065 5.775 1.00 0.00 C ATOM 642 NZ LYS A 41 12.054 -2.789 6.945 1.00 0.00 N ATOM 0 H LYS A 41 8.168 -7.521 4.021 1.00 0.00 H new ATOM 0 HA LYS A 41 9.522 -6.054 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.602 -6.837 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.617 -6.400 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.898 -4.150 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.469 -4.514 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.940 -5.167 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.349 -4.740 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.438 -2.394 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.140 -2.855 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.944 -1.796 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.787 -3.412 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.045 -2.965 6.684 1.00 0.00 H new ATOM 656 N ASN A 42 9.839 -8.340 0.926 1.00 0.00 N ATOM 657 CA ASN A 42 10.035 -9.656 0.294 1.00 0.00 C ATOM 658 C ASN A 42 8.939 -10.643 0.688 1.00 0.00 C ATOM 659 O ASN A 42 8.665 -11.602 -0.028 1.00 0.00 O ATOM 660 CB ASN A 42 11.393 -10.271 0.651 1.00 0.00 C ATOM 661 CG ASN A 42 12.509 -9.836 -0.271 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.720 -10.432 -1.330 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.259 -8.827 0.134 1.00 0.00 N ATOM 0 H ASN A 42 9.626 -7.598 0.260 1.00 0.00 H new ATOM 0 HA ASN A 42 9.994 -9.476 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.650 -9.998 1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.310 -11.357 0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.045 -8.515 -0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.052 -8.360 1.017 1.00 0.00 H new ATOM 670 N GLY A 43 8.310 -10.390 1.821 1.00 0.00 N ATOM 671 CA GLY A 43 7.343 -11.307 2.365 1.00 0.00 C ATOM 672 C GLY A 43 7.119 -11.089 3.850 1.00 0.00 C ATOM 673 O GLY A 43 6.122 -11.556 4.398 1.00 0.00 O ATOM 0 H GLY A 43 8.457 -9.550 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.397 -11.191 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.680 -12.330 2.196 1.00 0.00 H new ATOM 677 N GLU A 44 8.030 -10.370 4.511 1.00 0.00 N ATOM 678 CA GLU A 44 7.962 -10.200 5.956 1.00 0.00 C ATOM 679 C GLU A 44 7.193 -8.939 6.333 1.00 0.00 C ATOM 680 O GLU A 44 7.288 -7.918 5.654 1.00 0.00 O ATOM 681 CB GLU A 44 9.373 -10.143 6.522 1.00 0.00 C ATOM 682 CG GLU A 44 10.151 -8.910 6.108 1.00 0.00 C ATOM 683 CD GLU A 44 11.527 -8.853 6.729 1.00 0.00 C ATOM 684 OE1 GLU A 44 11.672 -8.234 7.800 1.00 0.00 O ATOM 685 OE2 GLU A 44 12.474 -9.424 6.144 1.00 0.00 O ATOM 0 H GLU A 44 8.819 -9.900 4.067 1.00 0.00 H new ATOM 0 HA GLU A 44 7.428 -11.050 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.319 -10.178 7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.919 -11.030 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.246 -8.893 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.591 -8.019 6.393 1.00 0.00 H new ATOM 692 N ARG A 45 6.420 -9.024 7.405 1.00 0.00 N ATOM 693 CA ARG A 45 5.597 -7.898 7.845 1.00 0.00 C ATOM 694 C ARG A 45 6.453 -6.813 8.518 1.00 0.00 C ATOM 695 O ARG A 45 7.273 -7.099 9.392 1.00 0.00 O ATOM 696 CB ARG A 45 4.477 -8.373 8.789 1.00 0.00 C ATOM 697 CG ARG A 45 3.286 -7.423 8.835 1.00 0.00 C ATOM 698 CD ARG A 45 2.097 -7.985 9.616 1.00 0.00 C ATOM 699 NE ARG A 45 1.072 -6.966 9.845 1.00 0.00 N ATOM 700 CZ ARG A 45 0.593 -6.649 11.043 1.00 0.00 C ATOM 701 NH1 ARG A 45 1.064 -7.253 12.125 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.348 -5.719 11.152 1.00 0.00 N ATOM 0 H ARG A 45 6.342 -9.857 7.988 1.00 0.00 H new ATOM 0 HA ARG A 45 5.135 -7.459 6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.136 -9.358 8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.882 -8.486 9.795 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.598 -6.482 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.970 -7.198 7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.663 -8.821 9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.442 -8.376 10.573 1.00 0.00 H new ATOM 0 HE ARG A 45 0.702 -6.468 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.794 -7.960 12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.697 -7.010 13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.701 -5.250 10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.718 -5.473 12.070 1.00 0.00 H new ATOM 716 N ILE A 46 6.253 -5.576 8.065 1.00 0.00 N ATOM 717 CA ILE A 46 7.086 -4.425 8.453 1.00 0.00 C ATOM 718 C ILE A 46 6.943 -3.896 9.918 1.00 0.00 C ATOM 719 O ILE A 46 7.936 -3.516 10.521 1.00 0.00 O ATOM 720 CB ILE A 46 6.846 -3.296 7.435 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.510 -3.660 6.110 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.348 -1.972 7.949 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.344 -2.619 5.031 1.00 0.00 C ATOM 0 H ILE A 46 5.505 -5.337 7.414 1.00 0.00 H new ATOM 0 HA ILE A 46 8.112 -4.792 8.438 1.00 0.00 H new ATOM 0 HB ILE A 46 5.773 -3.188 7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.574 -3.823 6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.096 -4.604 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.162 -1.198 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.827 -1.719 8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.419 -2.039 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.844 -2.954 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.283 -2.471 4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.784 -1.678 5.362 1.00 0.00 H new ATOM 735 N GLU A 47 5.739 -3.962 10.492 1.00 0.00 N ATOM 736 CA GLU A 47 5.387 -3.452 11.857 1.00 0.00 C ATOM 737 C GLU A 47 5.730 -1.983 12.107 1.00 0.00 C ATOM 738 O GLU A 47 5.543 -1.479 13.215 1.00 0.00 O ATOM 739 CB GLU A 47 6.038 -4.320 12.937 1.00 0.00 C ATOM 740 CG GLU A 47 6.494 -5.656 12.412 1.00 0.00 C ATOM 741 CD GLU A 47 5.347 -6.637 12.256 1.00 0.00 C ATOM 742 OE1 GLU A 47 5.357 -7.687 12.936 1.00 0.00 O ATOM 743 OE2 GLU A 47 4.418 -6.357 11.474 1.00 0.00 O ATOM 0 H GLU A 47 4.941 -4.384 10.017 1.00 0.00 H new ATOM 0 HA GLU A 47 4.300 -3.518 11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.892 -3.789 13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.328 -4.476 13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.983 -5.517 11.448 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.238 -6.075 13.090 1.00 0.00 H new ATOM 750 N LYS A 48 6.209 -1.300 11.094 1.00 0.00 N ATOM 751 CA LYS A 48 6.574 0.107 11.224 1.00 0.00 C ATOM 752 C LYS A 48 5.680 0.980 10.352 1.00 0.00 C ATOM 753 O LYS A 48 5.874 2.189 10.247 1.00 0.00 O ATOM 754 CB LYS A 48 8.039 0.267 10.847 1.00 0.00 C ATOM 755 CG LYS A 48 8.808 -0.989 11.189 1.00 0.00 C ATOM 756 CD LYS A 48 9.743 -0.794 12.352 1.00 0.00 C ATOM 757 CE LYS A 48 10.257 -2.125 12.871 1.00 0.00 C ATOM 758 NZ LYS A 48 11.026 -2.866 11.840 1.00 0.00 N ATOM 0 H LYS A 48 6.359 -1.690 10.164 1.00 0.00 H new ATOM 0 HA LYS A 48 6.431 0.431 12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.127 0.476 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.467 1.119 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.105 -1.789 11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.379 -1.310 10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.583 -0.171 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.227 -0.263 13.152 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.890 -1.954 13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.416 -2.734 13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.471 -3.701 12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.384 -3.170 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.762 -2.247 11.444 1.00 0.00 H new ATOM 772 N VAL A 49 4.709 0.338 9.719 1.00 0.00 N ATOM 773 CA VAL A 49 3.733 1.001 8.880 1.00 0.00 C ATOM 774 C VAL A 49 2.722 1.800 9.697 1.00 0.00 C ATOM 775 O VAL A 49 2.351 1.406 10.806 1.00 0.00 O ATOM 776 CB VAL A 49 2.993 -0.056 8.050 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.935 0.573 7.161 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.991 -0.855 7.235 1.00 0.00 C ATOM 0 H VAL A 49 4.579 -0.672 9.777 1.00 0.00 H new ATOM 0 HA VAL A 49 4.262 1.702 8.235 1.00 0.00 H new ATOM 0 HB VAL A 49 2.474 -0.730 8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.431 -0.206 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.206 1.098 7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.407 1.279 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.463 -1.605 6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.534 -0.186 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.695 -1.349 7.905 1.00 0.00 H new ATOM 788 N GLU A 50 2.292 2.926 9.144 1.00 0.00 N ATOM 789 CA GLU A 50 1.273 3.752 9.764 1.00 0.00 C ATOM 790 C GLU A 50 0.179 4.092 8.762 1.00 0.00 C ATOM 791 O GLU A 50 0.440 4.257 7.565 1.00 0.00 O ATOM 792 CB GLU A 50 1.875 5.053 10.280 1.00 0.00 C ATOM 793 CG GLU A 50 3.066 4.866 11.195 1.00 0.00 C ATOM 794 CD GLU A 50 3.848 6.150 11.372 1.00 0.00 C ATOM 795 OE1 GLU A 50 3.367 7.050 12.093 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.944 6.272 10.781 1.00 0.00 O ATOM 0 H GLU A 50 2.640 3.289 8.256 1.00 0.00 H new ATOM 0 HA GLU A 50 0.852 3.187 10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.177 5.663 9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.105 5.610 10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.725 4.512 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.720 4.096 10.787 1.00 0.00 H new ATOM 803 N HIS A 51 -1.037 4.178 9.252 1.00 0.00 N ATOM 804 CA HIS A 51 -2.150 4.677 8.452 1.00 0.00 C ATOM 805 C HIS A 51 -2.654 5.997 9.019 1.00 0.00 C ATOM 806 O HIS A 51 -2.795 6.156 10.234 1.00 0.00 O ATOM 807 CB HIS A 51 -3.296 3.656 8.374 1.00 0.00 C ATOM 808 CG HIS A 51 -3.866 3.239 9.700 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.088 3.704 10.123 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.363 2.402 10.644 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.300 3.148 11.301 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.283 2.352 11.659 1.00 0.00 N ATOM 0 H HIS A 51 -1.288 3.910 10.203 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.784 4.839 7.438 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.097 4.078 7.767 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.936 2.768 7.854 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.420 1.877 10.603 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.182 3.314 11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.208 1.812 12.521 1.00 0.00 H new ATOM 820 N SER A 52 -2.871 6.960 8.132 1.00 0.00 N ATOM 821 CA SER A 52 -3.413 8.256 8.526 1.00 0.00 C ATOM 822 C SER A 52 -4.922 8.150 8.757 1.00 0.00 C ATOM 823 O SER A 52 -5.471 7.045 8.794 1.00 0.00 O ATOM 824 CB SER A 52 -3.095 9.312 7.455 1.00 0.00 C ATOM 825 OG SER A 52 -3.339 10.630 7.929 1.00 0.00 O ATOM 0 H SER A 52 -2.680 6.869 7.134 1.00 0.00 H new ATOM 0 HA SER A 52 -2.946 8.566 9.461 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.052 9.221 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.701 9.126 6.569 1.00 0.00 H new ATOM 0 HG SER A 52 -3.125 11.276 7.224 1.00 0.00 H new ATOM 831 N ASP A 53 -5.587 9.289 8.917 1.00 0.00 N ATOM 832 CA ASP A 53 -7.026 9.301 9.163 1.00 0.00 C ATOM 833 C ASP A 53 -7.772 8.651 8.001 1.00 0.00 C ATOM 834 O ASP A 53 -7.380 8.818 6.844 1.00 0.00 O ATOM 835 CB ASP A 53 -7.536 10.728 9.389 1.00 0.00 C ATOM 836 CG ASP A 53 -9.015 10.759 9.726 1.00 0.00 C ATOM 837 OD1 ASP A 53 -9.836 10.979 8.812 1.00 0.00 O ATOM 838 OD2 ASP A 53 -9.361 10.560 10.912 1.00 0.00 O ATOM 0 H ASP A 53 -5.156 10.213 8.881 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.216 8.725 10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.971 11.191 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.356 11.323 8.494 1.00 0.00 H new ATOM 843 N LEU A 54 -8.837 7.916 8.339 1.00 0.00 N ATOM 844 CA LEU A 54 -9.595 7.099 7.383 1.00 0.00 C ATOM 845 C LEU A 54 -9.757 7.773 6.022 1.00 0.00 C ATOM 846 O LEU A 54 -9.024 7.456 5.091 1.00 0.00 O ATOM 847 CB LEU A 54 -10.971 6.737 7.953 1.00 0.00 C ATOM 848 CG LEU A 54 -11.791 5.761 7.096 1.00 0.00 C ATOM 849 CD1 LEU A 54 -11.089 4.414 6.986 1.00 0.00 C ATOM 850 CD2 LEU A 54 -13.195 5.584 7.664 1.00 0.00 C ATOM 0 H LEU A 54 -9.201 7.871 9.291 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.013 6.191 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.835 6.302 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.546 7.654 8.084 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.877 6.186 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.689 3.740 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.111 4.550 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.964 3.987 7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.755 4.888 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.130 5.190 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.705 6.547 7.681 1.00 0.00 H new ATOM 862 N SER A 55 -10.696 8.705 5.914 1.00 0.00 N ATOM 863 CA SER A 55 -10.945 9.391 4.648 1.00 0.00 C ATOM 864 C SER A 55 -12.045 10.429 4.796 1.00 0.00 C ATOM 865 O SER A 55 -12.845 10.380 5.731 1.00 0.00 O ATOM 866 CB SER A 55 -11.354 8.386 3.559 1.00 0.00 C ATOM 867 OG SER A 55 -11.454 9.001 2.280 1.00 0.00 O ATOM 0 H SER A 55 -11.296 9.004 6.683 1.00 0.00 H new ATOM 0 HA SER A 55 -10.019 9.888 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.623 7.578 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.312 7.936 3.821 1.00 0.00 H new ATOM 0 HG SER A 55 -12.395 9.041 2.009 1.00 0.00 H new ATOM 873 N PHE A 56 -12.061 11.372 3.871 1.00 0.00 N ATOM 874 CA PHE A 56 -13.170 12.291 3.725 1.00 0.00 C ATOM 875 C PHE A 56 -13.844 12.007 2.391 1.00 0.00 C ATOM 876 O PHE A 56 -13.198 11.513 1.464 1.00 0.00 O ATOM 877 CB PHE A 56 -12.688 13.750 3.790 1.00 0.00 C ATOM 878 CG PHE A 56 -11.771 14.153 2.665 1.00 0.00 C ATOM 879 CD1 PHE A 56 -10.413 13.876 2.724 1.00 0.00 C ATOM 880 CD2 PHE A 56 -12.265 14.815 1.550 1.00 0.00 C ATOM 881 CE1 PHE A 56 -9.571 14.246 1.695 1.00 0.00 C ATOM 882 CE2 PHE A 56 -11.426 15.188 0.518 1.00 0.00 C ATOM 883 CZ PHE A 56 -10.076 14.904 0.592 1.00 0.00 C ATOM 0 H PHE A 56 -11.306 11.520 3.202 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.878 12.149 4.541 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -13.557 14.408 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.172 13.908 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.010 13.365 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -13.319 15.042 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.516 14.021 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.825 15.701 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.417 15.196 -0.212 1.00 0.00 H new ATOM 893 N SER A 57 -15.131 12.277 2.296 1.00 0.00 N ATOM 894 CA SER A 57 -15.847 12.064 1.054 1.00 0.00 C ATOM 895 C SER A 57 -15.890 13.367 0.264 1.00 0.00 C ATOM 896 O SER A 57 -15.881 14.453 0.846 1.00 0.00 O ATOM 897 CB SER A 57 -17.264 11.550 1.335 1.00 0.00 C ATOM 898 OG SER A 57 -17.800 10.888 0.197 1.00 0.00 O ATOM 0 H SER A 57 -15.700 12.642 3.060 1.00 0.00 H new ATOM 0 HA SER A 57 -15.328 11.309 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.245 10.866 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.909 12.384 1.613 1.00 0.00 H new ATOM 0 HG SER A 57 -18.703 10.567 0.400 1.00 0.00 H new ATOM 904 N LYS A 58 -15.932 13.258 -1.053 1.00 0.00 N ATOM 905 CA LYS A 58 -15.889 14.435 -1.908 1.00 0.00 C ATOM 906 C LYS A 58 -16.803 14.256 -3.114 1.00 0.00 C ATOM 907 O LYS A 58 -17.881 14.849 -3.174 1.00 0.00 O ATOM 908 CB LYS A 58 -14.457 14.726 -2.376 1.00 0.00 C ATOM 909 CG LYS A 58 -14.321 16.058 -3.097 1.00 0.00 C ATOM 910 CD LYS A 58 -12.948 16.215 -3.735 1.00 0.00 C ATOM 911 CE LYS A 58 -12.808 17.545 -4.469 1.00 0.00 C ATOM 912 NZ LYS A 58 -13.977 17.823 -5.347 1.00 0.00 N ATOM 0 H LYS A 58 -15.996 12.371 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.239 15.284 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.791 14.718 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.129 13.926 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.090 16.136 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.490 16.872 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.180 16.143 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.777 15.396 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.701 18.350 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.898 17.534 -5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.682 18.436 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.348 16.928 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.719 18.300 -4.796 1.00 0.00 H new ATOM 926 N ASP A 59 -16.387 13.432 -4.072 1.00 0.00 N ATOM 927 CA ASP A 59 -17.183 13.201 -5.264 1.00 0.00 C ATOM 928 C ASP A 59 -17.444 11.720 -5.438 1.00 0.00 C ATOM 929 O ASP A 59 -18.588 11.271 -5.395 1.00 0.00 O ATOM 930 CB ASP A 59 -16.474 13.737 -6.513 1.00 0.00 C ATOM 931 CG ASP A 59 -16.222 15.226 -6.457 1.00 0.00 C ATOM 932 OD1 ASP A 59 -15.040 15.629 -6.370 1.00 0.00 O ATOM 933 OD2 ASP A 59 -17.200 16.000 -6.503 1.00 0.00 O ATOM 0 H ASP A 59 -15.507 12.917 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.128 13.730 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.523 13.218 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.077 13.509 -7.392 1.00 0.00 H new ATOM 938 N TRP A 60 -16.371 10.963 -5.607 1.00 0.00 N ATOM 939 CA TRP A 60 -16.489 9.550 -5.913 1.00 0.00 C ATOM 940 C TRP A 60 -16.638 8.702 -4.650 1.00 0.00 C ATOM 941 O TRP A 60 -17.753 8.455 -4.189 1.00 0.00 O ATOM 942 CB TRP A 60 -15.288 9.075 -6.735 1.00 0.00 C ATOM 943 CG TRP A 60 -15.115 9.823 -8.025 1.00 0.00 C ATOM 944 CD1 TRP A 60 -14.141 10.731 -8.321 1.00 0.00 C ATOM 945 CD2 TRP A 60 -15.947 9.733 -9.188 1.00 0.00 C ATOM 946 NE1 TRP A 60 -14.311 11.205 -9.600 1.00 0.00 N ATOM 947 CE2 TRP A 60 -15.413 10.607 -10.154 1.00 0.00 C ATOM 948 CE3 TRP A 60 -17.088 8.991 -9.509 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -15.983 10.764 -11.416 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -17.658 9.144 -10.759 1.00 0.00 C ATOM 951 CH2 TRP A 60 -17.100 10.029 -11.705 1.00 0.00 C ATOM 0 H TRP A 60 -15.412 11.304 -5.537 1.00 0.00 H new ATOM 0 HA TRP A 60 -17.396 9.421 -6.504 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -14.383 9.182 -6.137 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -15.403 8.013 -6.952 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -13.352 11.033 -7.649 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -13.714 11.891 -10.062 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -17.518 8.308 -8.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -15.558 11.442 -12.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -18.542 8.579 -11.015 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -17.563 10.128 -12.676 1.00 0.00 H new ATOM 962 N SER A 61 -15.521 8.279 -4.077 1.00 0.00 N ATOM 963 CA SER A 61 -15.549 7.325 -2.976 1.00 0.00 C ATOM 964 C SER A 61 -14.570 7.717 -1.872 1.00 0.00 C ATOM 965 O SER A 61 -14.042 8.829 -1.863 1.00 0.00 O ATOM 966 CB SER A 61 -15.209 5.926 -3.506 1.00 0.00 C ATOM 967 OG SER A 61 -16.211 5.464 -4.398 1.00 0.00 O ATOM 0 H SER A 61 -14.586 8.579 -4.354 1.00 0.00 H new ATOM 0 HA SER A 61 -16.551 7.325 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.246 5.950 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.111 5.231 -2.672 1.00 0.00 H new ATOM 0 HG SER A 61 -15.972 4.571 -4.724 1.00 0.00 H new ATOM 973 N PHE A 62 -14.346 6.796 -0.941 1.00 0.00 N ATOM 974 CA PHE A 62 -13.410 7.014 0.154 1.00 0.00 C ATOM 975 C PHE A 62 -12.084 6.342 -0.171 1.00 0.00 C ATOM 976 O PHE A 62 -12.024 5.438 -1.009 1.00 0.00 O ATOM 977 CB PHE A 62 -13.966 6.449 1.477 1.00 0.00 C ATOM 978 CG PHE A 62 -15.368 6.894 1.836 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.584 7.934 2.736 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.472 6.251 1.290 1.00 0.00 C ATOM 981 CE1 PHE A 62 -16.874 8.320 3.078 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.757 6.636 1.627 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.958 7.669 2.520 1.00 0.00 C ATOM 0 H PHE A 62 -14.804 5.885 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.263 8.087 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.952 5.360 1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.294 6.736 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -14.740 8.446 3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.325 5.439 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.029 9.127 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.604 6.128 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.962 7.968 2.783 1.00 0.00 H new ATOM 993 N TYR A 63 -11.029 6.791 0.490 1.00 0.00 N ATOM 994 CA TYR A 63 -9.682 6.296 0.235 1.00 0.00 C ATOM 995 C TYR A 63 -9.038 5.888 1.553 1.00 0.00 C ATOM 996 O TYR A 63 -9.332 6.475 2.585 1.00 0.00 O ATOM 997 CB TYR A 63 -8.842 7.398 -0.426 1.00 0.00 C ATOM 998 CG TYR A 63 -9.634 8.278 -1.366 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.895 7.893 -2.675 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.134 9.495 -0.926 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.634 8.701 -3.519 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.870 10.306 -1.759 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.119 9.909 -3.055 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.854 10.720 -3.890 1.00 0.00 O ATOM 0 H TYR A 63 -11.080 7.506 1.216 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.732 5.434 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.396 8.019 0.351 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.022 6.938 -0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.515 6.949 -3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.942 9.812 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.831 8.390 -4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.251 11.250 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.120 11.531 -3.408 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.168 4.896 1.531 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.446 4.517 2.740 1.00 0.00 C ATOM 1016 C LEU A 64 -5.975 4.297 2.416 1.00 0.00 C ATOM 1017 O LEU A 64 -5.629 3.618 1.445 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.124 3.299 3.406 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.339 2.569 4.503 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.305 2.025 5.537 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.528 1.431 3.905 1.00 0.00 C ATOM 0 H LEU A 64 -7.943 4.342 0.704 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.485 5.324 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.070 3.631 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.363 2.577 2.625 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.654 3.272 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.748 1.506 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.867 2.848 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.995 1.329 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.976 0.923 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.199 0.723 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.827 1.830 3.172 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.116 4.900 3.229 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.698 4.961 2.934 1.00 0.00 C ATOM 1035 C LEU A 65 -2.889 4.216 3.988 1.00 0.00 C ATOM 1036 O LEU A 65 -3.106 4.381 5.188 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.259 6.428 2.890 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.123 6.778 1.917 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.868 8.277 1.916 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.846 6.031 2.263 1.00 0.00 C ATOM 0 H LEU A 65 -5.383 5.355 4.102 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.519 4.486 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.127 7.036 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.950 6.721 3.893 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.435 6.469 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.060 8.508 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.773 8.800 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.588 8.599 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.063 6.302 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.531 6.297 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.027 4.957 2.211 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.949 3.411 3.528 1.00 0.00 N ATOM 1053 CA TYR A 66 -1.008 2.729 4.401 1.00 0.00 C ATOM 1054 C TYR A 66 0.415 2.972 3.908 1.00 0.00 C ATOM 1055 O TYR A 66 0.772 2.571 2.802 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.310 1.236 4.447 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.204 0.791 5.591 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.577 0.632 5.434 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.651 0.479 6.824 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.363 0.171 6.474 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.431 0.027 7.869 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.783 -0.128 7.688 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.558 -0.591 8.724 1.00 0.00 O ATOM 0 H TYR A 66 -1.815 3.210 2.537 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.107 3.126 5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.780 0.948 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.367 0.693 4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.036 0.872 4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.587 0.592 6.970 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.427 0.046 6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.981 -0.203 8.823 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.645 -1.565 8.657 1.00 0.00 H new ATOM 1073 N TYR A 67 1.217 3.651 4.720 1.00 0.00 N ATOM 1074 CA TYR A 67 2.567 4.031 4.309 1.00 0.00 C ATOM 1075 C TYR A 67 3.584 3.772 5.408 1.00 0.00 C ATOM 1076 O TYR A 67 3.222 3.530 6.561 1.00 0.00 O ATOM 1077 CB TYR A 67 2.620 5.515 3.901 1.00 0.00 C ATOM 1078 CG TYR A 67 2.305 6.495 5.016 1.00 0.00 C ATOM 1079 CD1 TYR A 67 0.994 6.867 5.299 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.326 7.066 5.769 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.713 7.778 6.302 1.00 0.00 C ATOM 1082 CE2 TYR A 67 3.052 7.973 6.773 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.746 8.325 7.037 1.00 0.00 C ATOM 1084 OH TYR A 67 1.474 9.235 8.035 1.00 0.00 O ATOM 0 H TYR A 67 0.960 3.949 5.661 1.00 0.00 H new ATOM 0 HA TYR A 67 2.823 3.411 3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.615 5.735 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.917 5.678 3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.184 6.438 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.351 6.795 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.309 8.060 6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.857 8.405 7.349 1.00 0.00 H new ATOM 0 HH TYR A 67 2.312 9.521 8.454 1.00 0.00 H new ATOM 1094 N THR A 68 4.856 3.823 5.039 1.00 0.00 N ATOM 1095 CA THR A 68 5.941 3.683 5.997 1.00 0.00 C ATOM 1096 C THR A 68 7.202 4.373 5.465 1.00 0.00 C ATOM 1097 O THR A 68 7.450 4.386 4.254 1.00 0.00 O ATOM 1098 CB THR A 68 6.234 2.193 6.302 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.209 2.079 7.341 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.721 1.453 5.061 1.00 0.00 C ATOM 0 H THR A 68 5.162 3.961 4.076 1.00 0.00 H new ATOM 0 HA THR A 68 5.635 4.161 6.928 1.00 0.00 H new ATOM 0 HB THR A 68 5.300 1.736 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.770 2.166 8.213 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.917 0.411 5.312 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.957 1.502 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.638 1.917 4.697 1.00 0.00 H new ATOM 1108 N GLU A 69 7.959 4.991 6.366 1.00 0.00 N ATOM 1109 CA GLU A 69 9.240 5.596 6.011 1.00 0.00 C ATOM 1110 C GLU A 69 10.294 4.493 5.944 1.00 0.00 C ATOM 1111 O GLU A 69 10.445 3.712 6.886 1.00 0.00 O ATOM 1112 CB GLU A 69 9.607 6.682 7.045 1.00 0.00 C ATOM 1113 CG GLU A 69 10.765 7.600 6.656 1.00 0.00 C ATOM 1114 CD GLU A 69 12.136 6.997 6.868 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.577 6.917 8.032 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.800 6.651 5.869 1.00 0.00 O ATOM 0 H GLU A 69 7.708 5.087 7.350 1.00 0.00 H new ATOM 0 HA GLU A 69 9.183 6.082 5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.726 7.297 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.856 6.192 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.660 7.873 5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.693 8.521 7.234 1.00 0.00 H new ATOM 1123 N PHE A 70 11.009 4.421 4.830 1.00 0.00 N ATOM 1124 CA PHE A 70 11.869 3.273 4.557 1.00 0.00 C ATOM 1125 C PHE A 70 13.150 3.698 3.848 1.00 0.00 C ATOM 1126 O PHE A 70 13.225 4.787 3.277 1.00 0.00 O ATOM 1127 CB PHE A 70 11.120 2.211 3.729 1.00 0.00 C ATOM 1128 CG PHE A 70 10.778 2.611 2.314 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.743 1.658 1.310 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.489 3.921 1.989 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.429 2.006 0.010 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.175 4.278 0.691 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.144 3.319 -0.302 1.00 0.00 C ATOM 0 H PHE A 70 11.013 5.137 4.104 1.00 0.00 H new ATOM 0 HA PHE A 70 12.145 2.832 5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.728 1.307 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.197 1.955 4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.964 0.628 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.508 4.678 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.407 1.250 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.954 5.308 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.898 3.595 -1.317 1.00 0.00 H new ATOM 1143 N THR A 71 14.157 2.841 3.896 1.00 0.00 N ATOM 1144 CA THR A 71 15.399 3.070 3.180 1.00 0.00 C ATOM 1145 C THR A 71 15.647 1.935 2.175 1.00 0.00 C ATOM 1146 O THR A 71 16.235 0.910 2.525 1.00 0.00 O ATOM 1147 CB THR A 71 16.584 3.154 4.161 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.254 4.038 5.240 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.844 3.651 3.463 1.00 0.00 C ATOM 0 H THR A 71 14.136 1.972 4.430 1.00 0.00 H new ATOM 0 HA THR A 71 15.315 4.016 2.645 1.00 0.00 H new ATOM 0 HB THR A 71 16.778 2.153 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.008 4.089 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.663 3.700 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.108 2.966 2.657 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.664 4.644 3.050 1.00 0.00 H new ATOM 1157 N PRO A 72 15.142 2.078 0.934 1.00 0.00 N ATOM 1158 CA PRO A 72 15.366 1.099 -0.140 1.00 0.00 C ATOM 1159 C PRO A 72 16.845 0.797 -0.366 1.00 0.00 C ATOM 1160 O PRO A 72 17.704 1.665 -0.197 1.00 0.00 O ATOM 1161 CB PRO A 72 14.769 1.771 -1.394 1.00 0.00 C ATOM 1162 CG PRO A 72 14.473 3.187 -1.004 1.00 0.00 C ATOM 1163 CD PRO A 72 14.286 3.186 0.488 1.00 0.00 C ATOM 0 HA PRO A 72 14.910 0.140 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.471 1.735 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.863 1.258 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.290 3.848 -1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.577 3.549 -1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.590 4.134 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.244 3.025 0.763 1.00 0.00 H new ATOM 1171 N THR A 73 17.123 -0.438 -0.749 1.00 0.00 N ATOM 1172 CA THR A 73 18.478 -0.901 -1.001 1.00 0.00 C ATOM 1173 C THR A 73 18.539 -1.530 -2.387 1.00 0.00 C ATOM 1174 O THR A 73 17.541 -1.521 -3.109 1.00 0.00 O ATOM 1175 CB THR A 73 18.955 -1.924 0.053 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.254 -3.158 -0.098 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.742 -1.389 1.461 1.00 0.00 C ATOM 0 H THR A 73 16.410 -1.153 -0.895 1.00 0.00 H new ATOM 0 HA THR A 73 19.142 -0.039 -0.939 1.00 0.00 H new ATOM 0 HB THR A 73 20.020 -2.093 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.360 -2.984 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.085 -2.127 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.306 -0.465 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.682 -1.191 1.619 1.00 0.00 H new ATOM 1185 N GLU A 74 19.687 -2.060 -2.781 1.00 0.00 N ATOM 1186 CA GLU A 74 19.784 -2.682 -4.092 1.00 0.00 C ATOM 1187 C GLU A 74 19.198 -4.096 -4.028 1.00 0.00 C ATOM 1188 O GLU A 74 18.633 -4.603 -4.998 1.00 0.00 O ATOM 1189 CB GLU A 74 21.243 -2.771 -4.523 1.00 0.00 C ATOM 1190 CG GLU A 74 21.437 -2.963 -6.001 1.00 0.00 C ATOM 1191 CD GLU A 74 21.174 -1.700 -6.801 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.020 -1.498 -7.232 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.119 -0.908 -7.008 1.00 0.00 O ATOM 0 H GLU A 74 20.544 -2.073 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 74 19.230 -2.079 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.757 -1.861 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.717 -3.599 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.457 -3.299 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.772 -3.753 -6.350 1.00 0.00 H new ATOM 1200 N LYS A 75 19.346 -4.722 -2.860 1.00 0.00 N ATOM 1201 CA LYS A 75 19.010 -6.108 -2.661 1.00 0.00 C ATOM 1202 C LYS A 75 17.536 -6.320 -2.326 1.00 0.00 C ATOM 1203 O LYS A 75 16.951 -7.308 -2.755 1.00 0.00 O ATOM 1204 CB LYS A 75 19.829 -6.666 -1.497 1.00 0.00 C ATOM 1205 CG LYS A 75 21.333 -6.549 -1.652 1.00 0.00 C ATOM 1206 CD LYS A 75 21.969 -6.161 -0.336 1.00 0.00 C ATOM 1207 CE LYS A 75 23.485 -6.112 -0.431 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.108 -5.728 0.862 1.00 0.00 N ATOM 0 H LYS A 75 19.708 -4.264 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 75 19.229 -6.618 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.532 -6.149 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.574 -7.718 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.745 -7.498 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.570 -5.804 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.593 -5.186 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.677 -6.876 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.861 -7.087 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.778 -5.399 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.142 -5.706 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.769 -4.786 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.850 -6.423 1.592 1.00 0.00 H new ATOM 1222 N ASP A 76 16.932 -5.403 -1.566 1.00 0.00 N ATOM 1223 CA ASP A 76 15.678 -5.723 -0.880 1.00 0.00 C ATOM 1224 C ASP A 76 14.442 -5.238 -1.641 1.00 0.00 C ATOM 1225 O ASP A 76 14.543 -4.515 -2.631 1.00 0.00 O ATOM 1226 CB ASP A 76 15.692 -5.152 0.556 1.00 0.00 C ATOM 1227 CG ASP A 76 15.378 -3.669 0.662 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.753 -2.891 -0.241 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.787 -3.274 1.689 1.00 0.00 O ATOM 0 H ASP A 76 17.280 -4.456 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 76 15.609 -6.810 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.970 -5.704 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.674 -5.332 0.993 1.00 0.00 H new ATOM 1234 N GLU A 77 13.271 -5.663 -1.162 1.00 0.00 N ATOM 1235 CA GLU A 77 11.995 -5.257 -1.747 1.00 0.00 C ATOM 1236 C GLU A 77 10.980 -5.078 -0.638 1.00 0.00 C ATOM 1237 O GLU A 77 10.996 -5.814 0.343 1.00 0.00 O ATOM 1238 CB GLU A 77 11.414 -6.276 -2.776 1.00 0.00 C ATOM 1239 CG GLU A 77 12.145 -7.596 -2.914 1.00 0.00 C ATOM 1240 CD GLU A 77 13.215 -7.594 -3.993 1.00 0.00 C ATOM 1241 OE1 GLU A 77 13.063 -6.866 -4.996 1.00 0.00 O ATOM 1242 OE2 GLU A 77 14.192 -8.356 -3.861 1.00 0.00 O ATOM 0 H GLU A 77 13.182 -6.293 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 77 12.188 -4.330 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.381 -6.487 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.391 -5.796 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.606 -7.847 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.421 -8.380 -3.135 1.00 0.00 H new ATOM 1249 N TYR A 78 10.100 -4.109 -0.796 1.00 0.00 N ATOM 1250 CA TYR A 78 8.980 -3.933 0.090 1.00 0.00 C ATOM 1251 C TYR A 78 7.732 -4.307 -0.692 1.00 0.00 C ATOM 1252 O TYR A 78 7.707 -4.165 -1.914 1.00 0.00 O ATOM 1253 CB TYR A 78 8.895 -2.483 0.596 1.00 0.00 C ATOM 1254 CG TYR A 78 10.165 -1.982 1.267 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.164 -1.606 2.603 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.365 -1.887 0.567 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.312 -1.153 3.220 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.518 -1.438 1.180 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.485 -1.073 2.508 1.00 0.00 C ATOM 1260 OH TYR A 78 13.626 -0.620 3.127 1.00 0.00 O ATOM 0 H TYR A 78 10.147 -3.421 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 78 9.088 -4.565 0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.659 -1.830 -0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.069 -2.404 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.247 -1.669 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.394 -2.170 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.289 -0.862 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.440 -1.373 0.622 1.00 0.00 H new ATOM 0 HH TYR A 78 14.285 -0.362 2.449 1.00 0.00 H new ATOM 1270 N ALA A 79 6.721 -4.814 -0.021 1.00 0.00 N ATOM 1271 CA ALA A 79 5.520 -5.267 -0.705 1.00 0.00 C ATOM 1272 C ALA A 79 4.290 -4.700 -0.022 1.00 0.00 C ATOM 1273 O ALA A 79 4.364 -4.272 1.120 1.00 0.00 O ATOM 1274 CB ALA A 79 5.478 -6.786 -0.714 1.00 0.00 C ATOM 0 H ALA A 79 6.702 -4.924 0.993 1.00 0.00 H new ATOM 0 HA ALA A 79 5.534 -4.913 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.577 -7.122 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.356 -7.171 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.471 -7.156 0.311 1.00 0.00 H new ATOM 1280 N CYS A 80 3.169 -4.681 -0.711 1.00 0.00 N ATOM 1281 CA CYS A 80 1.946 -4.169 -0.120 1.00 0.00 C ATOM 1282 C CYS A 80 0.797 -5.175 -0.269 1.00 0.00 C ATOM 1283 O CYS A 80 0.481 -5.625 -1.372 1.00 0.00 O ATOM 1284 CB CYS A 80 1.648 -2.767 -0.690 1.00 0.00 C ATOM 1285 SG CYS A 80 2.823 -1.523 -0.026 1.00 0.00 S ATOM 0 H CYS A 80 3.076 -5.010 -1.672 1.00 0.00 H new ATOM 0 HA CYS A 80 2.069 -4.047 0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.715 -2.791 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.627 -2.478 -0.440 1.00 0.00 H new ATOM 1290 N ARG A 81 0.203 -5.537 0.878 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.773 -6.634 0.983 1.00 0.00 C ATOM 1292 C ARG A 81 -2.141 -6.087 1.368 1.00 0.00 C ATOM 1293 O ARG A 81 -2.219 -5.162 2.168 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.346 -7.590 2.098 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.077 -8.924 2.117 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.111 -9.519 3.525 1.00 0.00 C ATOM 1297 NE ARG A 81 0.211 -9.776 4.091 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.422 -9.981 5.396 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -0.564 -9.805 6.271 1.00 0.00 N ATOM 1300 NH2 ARG A 81 1.614 -10.361 5.829 1.00 0.00 N ATOM 0 H ARG A 81 0.388 -5.073 1.767 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.819 -7.141 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.723 -7.780 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.498 -7.096 3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.095 -8.788 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.585 -9.620 1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.651 -8.839 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.673 -10.453 3.501 1.00 0.00 H new ATOM 0 HE ARG A 81 1.012 -9.800 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.486 -9.512 5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.398 -9.963 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.377 -10.499 5.166 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.769 -10.516 6.825 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.217 -6.660 0.830 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.560 -6.300 1.291 1.00 0.00 C ATOM 1316 C VAL A 82 -5.440 -7.530 1.450 1.00 0.00 C ATOM 1317 O VAL A 82 -5.321 -8.504 0.703 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.275 -5.291 0.366 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.307 -4.253 -0.128 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.974 -5.977 -0.795 1.00 0.00 C ATOM 0 H VAL A 82 -3.190 -7.361 0.090 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.411 -5.820 2.258 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.047 -4.797 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.828 -3.550 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.884 -3.716 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.506 -4.738 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.463 -5.229 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.241 -6.523 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.720 -6.673 -0.411 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.301 -7.479 2.447 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.252 -8.548 2.703 1.00 0.00 C ATOM 1332 C ASN A 83 -8.678 -8.044 2.574 1.00 0.00 C ATOM 1333 O ASN A 83 -9.059 -7.078 3.238 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.070 -9.114 4.120 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.655 -9.569 4.425 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.347 -10.755 4.381 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.776 -8.628 4.726 1.00 0.00 N ATOM 0 H ASN A 83 -6.363 -6.699 3.102 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.066 -9.328 1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.360 -8.353 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.749 -9.957 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.809 -8.880 4.930 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.065 -7.650 4.754 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.463 -8.687 1.721 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.880 -8.397 1.626 1.00 0.00 C ATOM 1346 C HIS A 84 -11.609 -9.673 1.243 1.00 0.00 C ATOM 1347 O HIS A 84 -10.992 -10.608 0.731 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.135 -7.311 0.582 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.407 -6.552 0.804 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.502 -6.739 -0.004 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.698 -5.606 1.735 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.430 -5.908 0.447 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.987 -5.203 1.497 1.00 0.00 N ATOM 0 H HIS A 84 -9.138 -9.415 1.084 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.245 -8.033 2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.299 -6.612 0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.163 -7.769 -0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.042 -5.242 2.512 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.418 -5.811 0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.509 -4.500 2.020 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.915 -9.712 1.476 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.703 -10.907 1.205 1.00 0.00 C ATOM 1363 C VAL A 85 -13.756 -11.203 -0.289 1.00 0.00 C ATOM 1364 O VAL A 85 -14.034 -12.330 -0.696 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.146 -10.772 1.739 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.142 -10.515 3.236 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.893 -9.669 1.003 1.00 0.00 C ATOM 0 H VAL A 85 -13.451 -8.930 1.852 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.209 -11.730 1.722 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.666 -11.712 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.168 -10.423 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.654 -11.345 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.601 -9.592 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.907 -9.592 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.375 -8.721 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.933 -9.904 -0.061 1.00 0.00 H new ATOM 1377 N THR A 86 -13.502 -10.179 -1.095 1.00 0.00 N ATOM 1378 CA THR A 86 -13.579 -10.293 -2.536 1.00 0.00 C ATOM 1379 C THR A 86 -12.436 -11.120 -3.097 1.00 0.00 C ATOM 1380 O THR A 86 -12.643 -12.016 -3.921 1.00 0.00 O ATOM 1381 CB THR A 86 -13.529 -8.902 -3.173 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.406 -8.178 -2.662 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.789 -8.122 -2.887 1.00 0.00 C ATOM 0 H THR A 86 -13.238 -9.251 -0.764 1.00 0.00 H new ATOM 0 HA THR A 86 -14.520 -10.790 -2.771 1.00 0.00 H new ATOM 0 HB THR A 86 -13.437 -9.030 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.678 -7.669 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.722 -7.139 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.648 -8.657 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.908 -8.006 -1.810 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.233 -10.809 -2.645 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.044 -11.472 -3.132 1.00 0.00 C ATOM 1393 C LEU A 87 -9.998 -12.893 -2.583 1.00 0.00 C ATOM 1394 O LEU A 87 -9.963 -13.095 -1.367 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.780 -10.693 -2.721 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.654 -9.279 -3.310 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.331 -8.631 -2.910 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.789 -9.319 -4.823 1.00 0.00 C ATOM 0 H LEU A 87 -11.058 -10.096 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.076 -11.508 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.758 -10.618 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.905 -11.271 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.463 -8.672 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.270 -7.632 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.274 -8.562 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.503 -9.236 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.697 -8.309 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.004 -9.948 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.763 -9.728 -5.091 1.00 0.00 H new ATOM 1410 N SER A 88 -10.026 -13.875 -3.485 1.00 0.00 N ATOM 1411 CA SER A 88 -9.963 -15.283 -3.100 1.00 0.00 C ATOM 1412 C SER A 88 -8.692 -15.552 -2.302 1.00 0.00 C ATOM 1413 O SER A 88 -8.611 -16.511 -1.535 1.00 0.00 O ATOM 1414 CB SER A 88 -10.022 -16.176 -4.343 1.00 0.00 C ATOM 1415 OG SER A 88 -9.036 -15.802 -5.291 1.00 0.00 O ATOM 0 H SER A 88 -10.092 -13.719 -4.491 1.00 0.00 H new ATOM 0 HA SER A 88 -10.822 -15.516 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.876 -17.217 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.011 -16.107 -4.797 1.00 0.00 H new ATOM 0 HG SER A 88 -9.095 -16.389 -6.073 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.718 -14.672 -2.472 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.483 -14.704 -1.721 1.00 0.00 C ATOM 1423 C GLN A 89 -6.035 -13.273 -1.503 1.00 0.00 C ATOM 1424 O GLN A 89 -6.048 -12.487 -2.451 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.379 -15.471 -2.474 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.647 -15.713 -3.966 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.565 -14.447 -4.823 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.474 -14.021 -5.208 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -6.711 -13.884 -5.207 1.00 0.00 N ATOM 0 H GLN A 89 -7.768 -13.907 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.656 -15.217 -0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.444 -14.919 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.233 -16.435 -1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.928 -16.441 -4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.637 -16.154 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.600 -14.257 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.699 -13.080 -5.835 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.694 -12.880 -0.263 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.121 -11.563 -0.013 1.00 0.00 C ATOM 1440 C PRO A 90 -4.019 -11.218 -0.988 1.00 0.00 C ATOM 1441 O PRO A 90 -3.142 -12.031 -1.281 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.570 -11.683 1.386 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.524 -12.600 2.051 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.884 -13.635 1.000 1.00 0.00 C ATOM 0 HA PRO A 90 -5.859 -10.769 -0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.558 -12.087 1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.527 -10.715 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.074 -13.068 2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.409 -12.065 2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.236 -14.510 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.909 -13.989 1.112 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.070 -10.002 -1.472 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.248 -9.597 -2.577 1.00 0.00 C ATOM 1454 C LYS A 91 -1.956 -8.962 -2.112 1.00 0.00 C ATOM 1455 O LYS A 91 -1.957 -8.080 -1.256 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.008 -8.625 -3.463 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.302 -8.372 -4.770 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.191 -9.648 -5.571 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.522 -10.064 -6.165 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.378 -11.253 -7.041 1.00 0.00 N ATOM 0 H LYS A 91 -4.681 -9.270 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.996 -10.492 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.004 -9.020 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.139 -7.681 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.846 -7.622 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.308 -7.968 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.464 -9.511 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.814 -10.446 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.227 -10.285 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.940 -9.237 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.149 -11.265 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.464 -11.211 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.420 -12.117 -6.463 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.862 -9.428 -2.679 1.00 0.00 N ATOM 1475 CA ILE A 92 0.441 -8.829 -2.452 1.00 0.00 C ATOM 1476 C ILE A 92 0.983 -8.282 -3.761 1.00 0.00 C ATOM 1477 O ILE A 92 0.991 -8.971 -4.782 1.00 0.00 O ATOM 1478 CB ILE A 92 1.489 -9.820 -1.881 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.116 -10.317 -0.477 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.869 -9.172 -1.849 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.023 -11.362 -0.452 1.00 0.00 C ATOM 0 H ILE A 92 -0.849 -10.230 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 92 0.287 -8.043 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 92 1.505 -10.685 -2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.007 -10.729 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.800 -9.465 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.594 -9.879 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.162 -8.889 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.839 -8.284 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.176 -11.656 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.884 -10.950 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.341 -12.235 -1.023 1.00 0.00 H new ATOM 1493 N VAL A 93 1.426 -7.048 -3.727 1.00 0.00 N ATOM 1494 CA VAL A 93 2.095 -6.450 -4.858 1.00 0.00 C ATOM 1495 C VAL A 93 3.437 -5.922 -4.395 1.00 0.00 C ATOM 1496 O VAL A 93 3.519 -5.198 -3.402 1.00 0.00 O ATOM 1497 CB VAL A 93 1.260 -5.320 -5.504 1.00 0.00 C ATOM 1498 CG1 VAL A 93 2.031 -4.652 -6.636 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.060 -5.870 -6.020 1.00 0.00 C ATOM 0 H VAL A 93 1.334 -6.432 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 93 2.229 -7.211 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 93 1.056 -4.569 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.422 -3.861 -7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.954 -4.225 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.269 -5.392 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.638 -5.064 -6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.134 -6.641 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.623 -6.300 -5.192 1.00 0.00 H new ATOM 1509 N LYS A 94 4.487 -6.309 -5.089 1.00 0.00 N ATOM 1510 CA LYS A 94 5.808 -5.919 -4.702 1.00 0.00 C ATOM 1511 C LYS A 94 6.100 -4.550 -5.289 1.00 0.00 C ATOM 1512 O LYS A 94 5.692 -4.238 -6.410 1.00 0.00 O ATOM 1513 CB LYS A 94 6.820 -6.971 -5.154 1.00 0.00 C ATOM 1514 CG LYS A 94 7.807 -6.467 -6.182 1.00 0.00 C ATOM 1515 CD LYS A 94 8.914 -7.475 -6.428 1.00 0.00 C ATOM 1516 CE LYS A 94 10.306 -6.897 -6.177 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.467 -5.525 -6.735 1.00 0.00 N ATOM 0 H LYS A 94 4.441 -6.894 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 94 5.886 -5.852 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.368 -7.331 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.283 -7.824 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.287 -6.260 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.239 -5.526 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.762 -8.340 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.853 -7.831 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.497 -6.873 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.054 -7.555 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.469 -5.356 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.899 -5.434 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.146 -4.826 -6.035 1.00 0.00 H new ATOM 1531 N TRP A 95 6.762 -3.723 -4.510 1.00 0.00 N ATOM 1532 CA TRP A 95 7.058 -2.364 -4.925 1.00 0.00 C ATOM 1533 C TRP A 95 8.153 -2.368 -5.984 1.00 0.00 C ATOM 1534 O TRP A 95 9.224 -2.954 -5.794 1.00 0.00 O ATOM 1535 CB TRP A 95 7.461 -1.515 -3.705 1.00 0.00 C ATOM 1536 CG TRP A 95 7.827 -0.100 -4.023 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.981 0.908 -4.376 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.142 0.469 -3.988 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.687 2.069 -4.566 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.015 1.825 -4.334 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.412 -0.040 -3.699 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.106 2.682 -4.397 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.501 0.810 -3.764 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.341 2.163 -4.110 1.00 0.00 C ATOM 0 H TRP A 95 7.108 -3.966 -3.582 1.00 0.00 H new ATOM 0 HA TRP A 95 6.166 -1.919 -5.365 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.636 -1.511 -2.993 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.307 -1.993 -3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.912 0.808 -4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.288 2.968 -4.836 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.540 -1.078 -3.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.985 3.722 -4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.488 0.429 -3.546 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.208 2.806 -4.150 1.00 0.00 H new ATOM 1555 N ASP A 96 7.857 -1.728 -7.105 1.00 0.00 N ATOM 1556 CA ASP A 96 8.798 -1.614 -8.211 1.00 0.00 C ATOM 1557 C ASP A 96 8.901 -0.160 -8.618 1.00 0.00 C ATOM 1558 O ASP A 96 7.903 0.565 -8.616 1.00 0.00 O ATOM 1559 CB ASP A 96 8.377 -2.462 -9.418 1.00 0.00 C ATOM 1560 CG ASP A 96 8.540 -3.950 -9.191 1.00 0.00 C ATOM 1561 OD1 ASP A 96 7.530 -4.682 -9.280 1.00 0.00 O ATOM 1562 OD2 ASP A 96 9.677 -4.393 -8.925 1.00 0.00 O ATOM 0 H ASP A 96 6.960 -1.274 -7.274 1.00 0.00 H new ATOM 0 HA ASP A 96 9.765 -1.988 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.335 -2.250 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.969 -2.167 -10.285 1.00 0.00 H new ATOM 1567 N ARG A 97 10.099 0.268 -8.967 1.00 0.00 N ATOM 1568 CA ARG A 97 10.364 1.675 -9.195 1.00 0.00 C ATOM 1569 C ARG A 97 10.579 1.968 -10.671 1.00 0.00 C ATOM 1570 O ARG A 97 10.232 3.040 -11.166 1.00 0.00 O ATOM 1571 CB ARG A 97 11.598 2.084 -8.378 1.00 0.00 C ATOM 1572 CG ARG A 97 12.896 1.386 -8.780 1.00 0.00 C ATOM 1573 CD ARG A 97 13.772 2.259 -9.667 1.00 0.00 C ATOM 1574 NE ARG A 97 14.286 3.427 -8.962 1.00 0.00 N ATOM 1575 CZ ARG A 97 15.564 3.797 -8.990 1.00 0.00 C ATOM 1576 NH1 ARG A 97 16.457 3.070 -9.658 1.00 0.00 N ATOM 1577 NH2 ARG A 97 15.954 4.881 -8.335 1.00 0.00 N ATOM 0 H ARG A 97 10.907 -0.341 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 97 9.499 2.255 -8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.737 3.161 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.403 1.879 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.451 1.112 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.660 0.460 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.607 1.668 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.197 2.585 -10.534 1.00 0.00 H new ATOM 0 HE ARG A 97 13.632 3.990 -8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.162 2.227 -10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.436 3.356 -9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.275 5.431 -7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.933 5.165 -8.356 1.00 0.00 H new ATOM 1591 N ASP A 98 11.171 1.014 -11.362 1.00 0.00 N ATOM 1592 CA ASP A 98 11.560 1.210 -12.749 1.00 0.00 C ATOM 1593 C ASP A 98 10.725 0.329 -13.648 1.00 0.00 C ATOM 1594 O ASP A 98 10.713 0.480 -14.866 1.00 0.00 O ATOM 1595 CB ASP A 98 13.043 0.886 -12.916 1.00 0.00 C ATOM 1596 CG ASP A 98 13.580 1.275 -14.275 1.00 0.00 C ATOM 1597 OD1 ASP A 98 13.880 2.472 -14.472 1.00 0.00 O ATOM 1598 OD2 ASP A 98 13.735 0.384 -15.134 1.00 0.00 O ATOM 0 H ASP A 98 11.395 0.092 -10.987 1.00 0.00 H new ATOM 0 HA ASP A 98 11.391 2.250 -13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.612 1.404 -12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.196 -0.182 -12.762 1.00 0.00 H new ATOM 1603 N MET A 99 9.994 -0.565 -13.024 1.00 0.00 N ATOM 1604 CA MET A 99 9.197 -1.538 -13.755 1.00 0.00 C ATOM 1605 C MET A 99 7.756 -1.491 -13.273 1.00 0.00 C ATOM 1606 CB MET A 99 9.796 -2.955 -13.597 1.00 0.00 C ATOM 1607 CG MET A 99 10.437 -3.185 -12.239 1.00 0.00 C ATOM 1608 SD MET A 99 11.419 -4.699 -12.170 1.00 0.00 S ATOM 1609 CE MET A 99 10.151 -5.940 -12.433 1.00 0.00 C ATOM 0 H MET A 99 9.931 -0.643 -12.009 1.00 0.00 H new ATOM 0 HA MET A 99 9.212 -1.289 -14.816 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.010 -3.694 -13.750 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.542 -3.116 -14.376 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.073 -2.334 -11.995 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.658 -3.229 -11.478 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.570 -6.931 -12.259 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.326 -5.769 -11.742 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.785 -5.875 -13.458 1.00 0.00 H new TER 1619 MET A 99