USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 692 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 66 THR OG1 : rot 180:sc= -0.582 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.0859 K(o=-0.67,f=-1.7) USER MOD Set 2.1: A 67 GLN :FLIP amide:sc= -2.85! C(o=-4.6!,f=-2.8!) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.00478 K(o=-2.8,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN :FLIP amide:sc= -0.0177 F(o=-0.92,f=-0.018) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -1.53 (180deg=-1.98!) USER MOD Single : A 27 SER OG : rot -120:sc= -0.463 USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.168 (180deg=-0.863) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HE2:sc= 0.784 K(o=0.78,f=-6.6!) USER MOD Single : A 43 SER OG : rot -83:sc= 0.29 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -19:sc= 0.66 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.42 K(o=-2.4,f=-6.8!) USER MOD Single : A 74 GLN : amide:sc= -2.37! C(o=-2.4!,f=-3.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.14) USER MOD Single : A 79 ASN : amide:sc=-0.00392 X(o=-0.0039,f=-0.0039) USER MOD Single : A 80 SER OG : rot -52:sc= 0.673 USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.115 (180deg=-0.715) USER MOD Single : A 83 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 110:sc= 0.31 USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -1.71! (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.147 0.058 -20.611 1.00 0.00 N ATOM 2 CA GLY A 1 28.730 0.446 -20.865 1.00 0.00 C ATOM 3 C GLY A 1 28.081 0.899 -19.557 1.00 0.00 C ATOM 4 O GLY A 1 28.471 1.889 -18.970 1.00 0.00 O ATOM 0 H1 GLY A 1 30.588 -0.250 -21.501 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.668 0.874 -20.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.176 -0.721 -19.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.688 1.249 -21.601 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.180 -0.398 -21.283 1.00 0.00 H new ATOM 10 N SER A 2 27.093 0.182 -19.095 1.00 0.00 N ATOM 11 CA SER A 2 26.421 0.572 -17.824 1.00 0.00 C ATOM 12 C SER A 2 25.992 2.044 -17.902 1.00 0.00 C ATOM 13 O SER A 2 26.558 2.891 -17.239 1.00 0.00 O ATOM 14 CB SER A 2 27.392 0.388 -16.658 1.00 0.00 C ATOM 15 OG SER A 2 27.933 -0.927 -16.701 1.00 0.00 O ATOM 0 H SER A 2 26.723 -0.656 -19.543 1.00 0.00 H new ATOM 0 HA SER A 2 25.543 -0.055 -17.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.193 1.125 -16.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.877 0.551 -15.711 1.00 0.00 H new ATOM 0 HG SER A 2 28.558 -1.048 -15.956 1.00 0.00 H new ATOM 21 N PRO A 3 24.999 2.353 -18.704 1.00 0.00 N ATOM 22 CA PRO A 3 24.527 3.759 -18.836 1.00 0.00 C ATOM 23 C PRO A 3 23.848 4.259 -17.550 1.00 0.00 C ATOM 24 O PRO A 3 23.950 3.647 -16.506 1.00 0.00 O ATOM 25 CB PRO A 3 23.530 3.673 -20.013 1.00 0.00 C ATOM 26 CG PRO A 3 23.369 2.190 -20.417 1.00 0.00 C ATOM 27 CD PRO A 3 24.290 1.333 -19.528 1.00 0.00 C ATOM 0 HA PRO A 3 25.336 4.469 -19.007 1.00 0.00 H new ATOM 0 HB2 PRO A 3 22.567 4.093 -19.724 1.00 0.00 H new ATOM 0 HB3 PRO A 3 23.892 4.258 -20.859 1.00 0.00 H new ATOM 0 HG2 PRO A 3 22.332 1.877 -20.299 1.00 0.00 H new ATOM 0 HG3 PRO A 3 23.625 2.055 -21.468 1.00 0.00 H new ATOM 0 HD2 PRO A 3 23.722 0.638 -18.910 1.00 0.00 H new ATOM 0 HD3 PRO A 3 24.985 0.738 -20.121 1.00 0.00 H new ATOM 35 N ASN A 4 23.160 5.365 -17.623 1.00 0.00 N ATOM 36 CA ASN A 4 22.479 5.899 -16.410 1.00 0.00 C ATOM 37 C ASN A 4 23.488 6.003 -15.264 1.00 0.00 C ATOM 38 O ASN A 4 23.259 5.514 -14.176 1.00 0.00 O ATOM 39 CB ASN A 4 21.344 4.956 -16.004 1.00 0.00 C ATOM 40 CG ASN A 4 20.438 4.701 -17.210 1.00 0.00 C ATOM 41 OD1 ASN A 4 20.346 5.607 -18.145 1.00 0.00 O flip ATOM 42 ND2 ASN A 4 19.807 3.666 -17.302 1.00 0.00 N flip ATOM 0 H ASN A 4 23.040 5.922 -18.469 1.00 0.00 H new ATOM 0 HA ASN A 4 22.071 6.886 -16.628 1.00 0.00 H new ATOM 0 HB2 ASN A 4 21.753 4.015 -15.637 1.00 0.00 H new ATOM 0 HB3 ASN A 4 20.768 5.393 -15.188 1.00 0.00 H new ATOM 0 HD21 ASN A 4 19.879 2.958 -16.571 1.00 0.00 H new ATOM 0 HD22 ASN A 4 19.206 3.505 -18.110 1.00 0.00 H new ATOM 49 N SER A 5 24.604 6.638 -15.499 1.00 0.00 N ATOM 50 CA SER A 5 25.626 6.773 -14.424 1.00 0.00 C ATOM 51 C SER A 5 25.150 7.798 -13.391 1.00 0.00 C ATOM 52 O SER A 5 24.519 8.781 -13.725 1.00 0.00 O ATOM 53 CB SER A 5 26.948 7.239 -15.033 1.00 0.00 C ATOM 54 OG SER A 5 26.744 8.472 -15.711 1.00 0.00 O ATOM 0 H SER A 5 24.852 7.069 -16.390 1.00 0.00 H new ATOM 0 HA SER A 5 25.770 5.808 -13.938 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.699 7.360 -14.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.327 6.488 -15.726 1.00 0.00 H new ATOM 0 HG SER A 5 27.590 8.775 -16.101 1.00 0.00 H new ATOM 60 N TYR A 6 25.448 7.577 -12.141 1.00 0.00 N ATOM 61 CA TYR A 6 25.013 8.539 -11.090 1.00 0.00 C ATOM 62 C TYR A 6 23.497 8.730 -11.167 1.00 0.00 C ATOM 63 O TYR A 6 22.963 9.722 -10.714 1.00 0.00 O ATOM 64 CB TYR A 6 25.709 9.884 -11.311 1.00 0.00 C ATOM 65 CG TYR A 6 27.179 9.653 -11.570 1.00 0.00 C ATOM 66 CD1 TYR A 6 28.051 9.431 -10.498 1.00 0.00 C ATOM 67 CD2 TYR A 6 27.669 9.660 -12.881 1.00 0.00 C ATOM 68 CE1 TYR A 6 29.414 9.217 -10.737 1.00 0.00 C ATOM 69 CE2 TYR A 6 29.032 9.445 -13.120 1.00 0.00 C ATOM 70 CZ TYR A 6 29.904 9.223 -12.048 1.00 0.00 C ATOM 71 OH TYR A 6 31.248 9.011 -12.283 1.00 0.00 O ATOM 0 H TYR A 6 25.974 6.772 -11.802 1.00 0.00 H new ATOM 0 HA TYR A 6 25.279 8.149 -10.108 1.00 0.00 H new ATOM 0 HB2 TYR A 6 25.257 10.405 -12.155 1.00 0.00 H new ATOM 0 HB3 TYR A 6 25.579 10.521 -10.436 1.00 0.00 H new ATOM 0 HD1 TYR A 6 27.673 9.425 -9.486 1.00 0.00 H new ATOM 0 HD2 TYR A 6 26.996 9.831 -13.708 1.00 0.00 H new ATOM 0 HE1 TYR A 6 30.087 9.047 -9.910 1.00 0.00 H new ATOM 0 HE2 TYR A 6 29.410 9.450 -14.132 1.00 0.00 H new ATOM 0 HH TYR A 6 31.421 9.046 -13.247 1.00 0.00 H new ATOM 81 N GLY A 7 22.800 7.786 -11.738 1.00 0.00 N ATOM 82 CA GLY A 7 21.320 7.915 -11.841 1.00 0.00 C ATOM 83 C GLY A 7 20.696 7.730 -10.457 1.00 0.00 C ATOM 84 O GLY A 7 19.502 7.554 -10.321 1.00 0.00 O ATOM 0 H GLY A 7 23.191 6.933 -12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.056 8.893 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.926 7.170 -12.532 1.00 0.00 H new ATOM 88 N ASP A 8 21.496 7.770 -9.427 1.00 0.00 N ATOM 89 CA ASP A 8 20.952 7.598 -8.051 1.00 0.00 C ATOM 90 C ASP A 8 20.109 6.322 -7.993 1.00 0.00 C ATOM 91 O ASP A 8 18.924 6.336 -8.264 1.00 0.00 O ATOM 92 CB ASP A 8 20.079 8.804 -7.694 1.00 0.00 C ATOM 93 CG ASP A 8 20.901 10.087 -7.829 1.00 0.00 C ATOM 94 OD1 ASP A 8 21.663 10.181 -8.777 1.00 0.00 O ATOM 95 OD2 ASP A 8 20.754 10.953 -6.982 1.00 0.00 O ATOM 0 H ASP A 8 22.504 7.915 -9.479 1.00 0.00 H new ATOM 0 HA ASP A 8 21.775 7.522 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 8 19.211 8.845 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 8 19.703 8.706 -6.676 1.00 0.00 H new ATOM 100 N LEU A 9 20.711 5.218 -7.642 1.00 0.00 N ATOM 101 CA LEU A 9 19.942 3.943 -7.566 1.00 0.00 C ATOM 102 C LEU A 9 19.076 3.948 -6.305 1.00 0.00 C ATOM 103 O LEU A 9 18.083 3.254 -6.219 1.00 0.00 O ATOM 104 CB LEU A 9 20.916 2.759 -7.508 1.00 0.00 C ATOM 105 CG LEU A 9 21.763 2.704 -8.796 1.00 0.00 C ATOM 106 CD1 LEU A 9 23.048 1.916 -8.532 1.00 0.00 C ATOM 107 CD2 LEU A 9 20.977 2.013 -9.920 1.00 0.00 C ATOM 0 H LEU A 9 21.700 5.144 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 9 19.307 3.849 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 9 21.567 2.856 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.362 1.828 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 9 22.006 3.723 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 9 23.645 1.878 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 9 23.620 2.406 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 9 22.796 0.902 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 9 21.586 1.981 -10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 9 20.725 0.997 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 9 20.062 2.570 -10.119 1.00 0.00 H new ATOM 119 N GLY A 10 19.446 4.725 -5.324 1.00 0.00 N ATOM 120 CA GLY A 10 18.646 4.773 -4.069 1.00 0.00 C ATOM 121 C GLY A 10 18.530 3.364 -3.486 1.00 0.00 C ATOM 122 O GLY A 10 17.501 2.979 -2.966 1.00 0.00 O ATOM 0 H GLY A 10 20.268 5.329 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.120 5.439 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.654 5.177 -4.272 1.00 0.00 H new ATOM 126 N GLY A 11 19.578 2.591 -3.568 1.00 0.00 N ATOM 127 CA GLY A 11 19.527 1.206 -3.019 1.00 0.00 C ATOM 128 C GLY A 11 18.720 0.309 -3.968 1.00 0.00 C ATOM 129 O GLY A 11 18.019 0.797 -4.831 1.00 0.00 O ATOM 0 H GLY A 11 20.467 2.858 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.537 0.813 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.069 1.212 -2.030 1.00 0.00 H new ATOM 133 N PRO A 12 18.815 -0.996 -3.819 1.00 0.00 N ATOM 134 CA PRO A 12 18.062 -1.926 -4.711 1.00 0.00 C ATOM 135 C PRO A 12 16.542 -1.799 -4.535 1.00 0.00 C ATOM 136 O PRO A 12 16.057 -1.377 -3.504 1.00 0.00 O ATOM 137 CB PRO A 12 18.568 -3.307 -4.247 1.00 0.00 C ATOM 138 CG PRO A 12 19.286 -3.118 -2.900 1.00 0.00 C ATOM 139 CD PRO A 12 19.663 -1.634 -2.770 1.00 0.00 C ATOM 0 HA PRO A 12 18.226 -1.728 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.736 -4.003 -4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.248 -3.732 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.639 -3.421 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.177 -3.744 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.442 -1.244 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.725 -1.467 -2.949 1.00 0.00 H new ATOM 147 N ILE A 13 15.792 -2.171 -5.536 1.00 0.00 N ATOM 148 CA ILE A 13 14.307 -2.084 -5.436 1.00 0.00 C ATOM 149 C ILE A 13 13.779 -3.340 -4.738 1.00 0.00 C ATOM 150 O ILE A 13 14.278 -4.428 -4.948 1.00 0.00 O ATOM 151 CB ILE A 13 13.711 -1.994 -6.847 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.451 -0.919 -7.654 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.222 -1.638 -6.768 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.492 0.400 -6.872 1.00 0.00 C ATOM 0 H ILE A 13 16.145 -2.533 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 13 14.024 -1.200 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 13 13.822 -2.960 -7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.466 -1.252 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.953 -0.767 -8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.809 -1.577 -7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.693 -2.407 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.104 -0.677 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.020 1.153 -7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.475 0.739 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.011 0.246 -5.926 1.00 0.00 H new ATOM 166 N ILE A 14 12.793 -3.196 -3.886 1.00 0.00 N ATOM 167 CA ILE A 14 12.241 -4.368 -3.137 1.00 0.00 C ATOM 168 C ILE A 14 10.736 -4.476 -3.387 1.00 0.00 C ATOM 169 O ILE A 14 10.065 -3.482 -3.585 1.00 0.00 O ATOM 170 CB ILE A 14 12.491 -4.138 -1.644 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.999 -4.016 -1.406 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.941 -5.312 -0.829 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.258 -3.568 0.031 1.00 0.00 C ATOM 0 H ILE A 14 12.342 -2.306 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 14 12.723 -5.288 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 14 11.986 -3.224 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.485 -4.974 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.430 -3.299 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.125 -5.137 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.869 -5.404 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.438 -6.232 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.332 -3.482 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.786 -2.600 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.841 -4.301 0.721 1.00 0.00 H new ATOM 185 N THR A 15 10.194 -5.669 -3.360 1.00 0.00 N ATOM 186 CA THR A 15 8.726 -5.857 -3.572 1.00 0.00 C ATOM 187 C THR A 15 8.177 -6.698 -2.418 1.00 0.00 C ATOM 188 O THR A 15 8.777 -7.668 -1.999 1.00 0.00 O ATOM 189 CB THR A 15 8.488 -6.593 -4.893 1.00 0.00 C ATOM 190 OG1 THR A 15 9.334 -6.051 -5.897 1.00 0.00 O ATOM 191 CG2 THR A 15 7.026 -6.434 -5.312 1.00 0.00 C ATOM 0 H THR A 15 10.714 -6.531 -3.198 1.00 0.00 H new ATOM 0 HA THR A 15 8.226 -4.889 -3.607 1.00 0.00 H new ATOM 0 HB THR A 15 8.713 -7.652 -4.764 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.183 -6.523 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.858 -6.958 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.379 -6.854 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.797 -5.376 -5.441 1.00 0.00 H new ATOM 199 N THR A 16 7.037 -6.328 -1.906 1.00 0.00 N ATOM 200 CA THR A 16 6.418 -7.089 -0.777 1.00 0.00 C ATOM 201 C THR A 16 4.912 -7.183 -1.023 1.00 0.00 C ATOM 202 O THR A 16 4.323 -6.267 -1.562 1.00 0.00 O ATOM 203 CB THR A 16 6.685 -6.349 0.540 1.00 0.00 C ATOM 204 OG1 THR A 16 6.030 -7.028 1.603 1.00 0.00 O ATOM 205 CG2 THR A 16 6.161 -4.914 0.449 1.00 0.00 C ATOM 0 H THR A 16 6.499 -5.522 -2.223 1.00 0.00 H new ATOM 0 HA THR A 16 6.845 -8.090 -0.715 1.00 0.00 H new ATOM 0 HB THR A 16 7.759 -6.324 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.201 -6.558 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.355 -4.396 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.667 -4.393 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.088 -4.930 0.258 1.00 0.00 H new ATOM 213 N GLN A 17 4.277 -8.275 -0.646 1.00 0.00 N ATOM 214 CA GLN A 17 2.795 -8.402 -0.882 1.00 0.00 C ATOM 215 C GLN A 17 2.044 -8.360 0.449 1.00 0.00 C ATOM 216 O GLN A 17 2.520 -8.835 1.461 1.00 0.00 O ATOM 217 CB GLN A 17 2.494 -9.719 -1.602 1.00 0.00 C ATOM 218 CG GLN A 17 3.096 -9.688 -3.008 1.00 0.00 C ATOM 219 CD GLN A 17 2.973 -11.074 -3.645 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.645 -12.002 -3.242 1.00 0.00 O ATOM 221 NE2 GLN A 17 2.134 -11.254 -4.629 1.00 0.00 N ATOM 0 H GLN A 17 4.715 -9.076 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 17 2.465 -7.569 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.907 -10.555 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.417 -9.874 -1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.581 -8.948 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.143 -9.389 -2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.570 -10.474 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.043 -12.174 -5.060 1.00 0.00 H new ATOM 230 N VAL A 18 0.866 -7.782 0.443 1.00 0.00 N ATOM 231 CA VAL A 18 0.043 -7.676 1.688 1.00 0.00 C ATOM 232 C VAL A 18 -1.331 -8.300 1.428 1.00 0.00 C ATOM 233 O VAL A 18 -1.822 -8.296 0.319 1.00 0.00 O ATOM 234 CB VAL A 18 -0.148 -6.190 2.022 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.658 -6.036 3.457 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.186 -5.457 1.874 1.00 0.00 C ATOM 0 H VAL A 18 0.434 -7.373 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 18 0.538 -8.190 2.512 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.879 -5.762 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.790 -4.978 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.613 -6.552 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.065 -6.468 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.050 -4.402 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.917 -5.891 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.543 -5.555 0.849 1.00 0.00 H new ATOM 246 N THR A 19 -1.954 -8.820 2.454 1.00 0.00 N ATOM 247 CA THR A 19 -3.312 -9.439 2.307 1.00 0.00 C ATOM 248 C THR A 19 -4.256 -8.738 3.292 1.00 0.00 C ATOM 249 O THR A 19 -3.951 -8.599 4.460 1.00 0.00 O ATOM 250 CB THR A 19 -3.230 -10.937 2.625 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.063 -11.480 2.025 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.466 -11.654 2.073 1.00 0.00 C ATOM 0 H THR A 19 -1.577 -8.844 3.401 1.00 0.00 H new ATOM 0 HA THR A 19 -3.681 -9.324 1.288 1.00 0.00 H new ATOM 0 HB THR A 19 -3.188 -11.075 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.006 -12.437 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.402 -12.718 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.363 -11.237 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.514 -11.518 0.993 1.00 0.00 H new ATOM 260 N ILE A 20 -5.392 -8.285 2.821 1.00 0.00 N ATOM 261 CA ILE A 20 -6.374 -7.570 3.708 1.00 0.00 C ATOM 262 C ILE A 20 -7.752 -8.266 3.592 1.00 0.00 C ATOM 263 O ILE A 20 -8.197 -8.531 2.493 1.00 0.00 O ATOM 264 CB ILE A 20 -6.518 -6.100 3.215 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.069 -6.001 1.747 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.655 -5.159 4.070 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.621 -4.729 1.108 1.00 0.00 C ATOM 0 H ILE A 20 -5.688 -8.379 1.849 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.027 -7.590 4.741 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.563 -5.805 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.980 -6.001 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.416 -6.874 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.768 -4.136 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.975 -5.216 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.609 -5.456 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.295 -4.673 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.710 -4.746 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.252 -3.859 1.652 1.00 0.00 H new ATOM 279 N PRO A 21 -8.456 -8.532 4.676 1.00 0.00 N ATOM 280 CA PRO A 21 -9.800 -9.159 4.549 1.00 0.00 C ATOM 281 C PRO A 21 -10.703 -8.338 3.611 1.00 0.00 C ATOM 282 O PRO A 21 -10.592 -7.130 3.533 1.00 0.00 O ATOM 283 CB PRO A 21 -10.320 -9.159 6.001 1.00 0.00 C ATOM 284 CG PRO A 21 -9.183 -8.688 6.930 1.00 0.00 C ATOM 285 CD PRO A 21 -7.988 -8.247 6.064 1.00 0.00 C ATOM 0 HA PRO A 21 -9.778 -10.158 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.183 -8.499 6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.651 -10.158 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.523 -7.861 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.886 -9.493 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.757 -7.191 6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.085 -8.806 6.308 1.00 0.00 H new ATOM 293 N LYS A 22 -11.563 -8.983 2.875 1.00 0.00 N ATOM 294 CA LYS A 22 -12.435 -8.251 1.917 1.00 0.00 C ATOM 295 C LYS A 22 -13.179 -7.093 2.605 1.00 0.00 C ATOM 296 O LYS A 22 -13.315 -6.024 2.044 1.00 0.00 O ATOM 297 CB LYS A 22 -13.440 -9.239 1.314 1.00 0.00 C ATOM 298 CG LYS A 22 -14.310 -8.526 0.281 1.00 0.00 C ATOM 299 CD LYS A 22 -15.221 -9.542 -0.438 1.00 0.00 C ATOM 300 CE LYS A 22 -14.496 -10.147 -1.648 1.00 0.00 C ATOM 301 NZ LYS A 22 -14.296 -9.096 -2.686 1.00 0.00 N ATOM 0 H LYS A 22 -11.700 -9.994 2.896 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.813 -7.819 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.911 -10.070 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.065 -9.661 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.917 -7.764 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.679 -8.014 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.511 -10.333 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.138 -9.051 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.534 -10.557 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.078 -10.972 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.596 -9.424 -3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.199 -8.906 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.953 -8.224 -2.235 1.00 0.00 H new ATOM 315 N ASP A 23 -13.685 -7.293 3.792 1.00 0.00 N ATOM 316 CA ASP A 23 -14.442 -6.195 4.470 1.00 0.00 C ATOM 317 C ASP A 23 -13.535 -4.984 4.746 1.00 0.00 C ATOM 318 O ASP A 23 -13.882 -3.847 4.457 1.00 0.00 O ATOM 319 CB ASP A 23 -15.032 -6.716 5.784 1.00 0.00 C ATOM 320 CG ASP A 23 -13.999 -7.588 6.499 1.00 0.00 C ATOM 321 OD1 ASP A 23 -13.519 -8.527 5.886 1.00 0.00 O ATOM 322 OD2 ASP A 23 -13.707 -7.302 7.649 1.00 0.00 O ATOM 0 H ASP A 23 -13.609 -8.162 4.321 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.246 -5.871 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.321 -5.880 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.935 -7.293 5.586 1.00 0.00 H new ATOM 327 N LEU A 24 -12.364 -5.205 5.273 1.00 0.00 N ATOM 328 CA LEU A 24 -11.434 -4.083 5.546 1.00 0.00 C ATOM 329 C LEU A 24 -10.860 -3.602 4.218 1.00 0.00 C ATOM 330 O LEU A 24 -10.413 -2.480 4.088 1.00 0.00 O ATOM 331 CB LEU A 24 -10.283 -4.583 6.445 1.00 0.00 C ATOM 332 CG LEU A 24 -10.642 -4.420 7.928 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.848 -5.299 8.271 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.444 -4.837 8.790 1.00 0.00 C ATOM 0 H LEU A 24 -12.011 -6.127 5.528 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.959 -3.271 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.076 -5.631 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.373 -4.026 6.223 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.891 -3.377 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.098 -5.179 9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.700 -5.002 7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.606 -6.343 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.697 -4.722 9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.195 -5.879 8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.587 -4.207 8.551 1.00 0.00 H new ATOM 346 N ALA A 25 -10.847 -4.458 3.237 1.00 0.00 N ATOM 347 CA ALA A 25 -10.277 -4.073 1.926 1.00 0.00 C ATOM 348 C ALA A 25 -11.088 -2.930 1.326 1.00 0.00 C ATOM 349 O ALA A 25 -10.563 -2.048 0.680 1.00 0.00 O ATOM 350 CB ALA A 25 -10.341 -5.271 0.983 1.00 0.00 C ATOM 0 H ALA A 25 -11.209 -5.410 3.290 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.243 -3.755 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.923 -4.995 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.767 -6.097 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.379 -5.579 0.855 1.00 0.00 H new ATOM 356 N ARG A 26 -12.381 -2.954 1.529 1.00 0.00 N ATOM 357 CA ARG A 26 -13.238 -1.882 0.959 1.00 0.00 C ATOM 358 C ARG A 26 -13.042 -0.607 1.771 1.00 0.00 C ATOM 359 O ARG A 26 -13.123 0.485 1.244 1.00 0.00 O ATOM 360 CB ARG A 26 -14.712 -2.309 0.980 1.00 0.00 C ATOM 361 CG ARG A 26 -15.001 -3.244 -0.203 1.00 0.00 C ATOM 362 CD ARG A 26 -16.501 -3.601 -0.244 1.00 0.00 C ATOM 363 NE ARG A 26 -16.666 -5.039 -0.630 1.00 0.00 N ATOM 364 CZ ARG A 26 -16.028 -5.544 -1.652 1.00 0.00 C ATOM 365 NH1 ARG A 26 -15.352 -4.773 -2.458 1.00 0.00 N ATOM 366 NH2 ARG A 26 -16.109 -6.823 -1.897 1.00 0.00 N ATOM 0 H ARG A 26 -12.875 -3.669 2.063 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.954 -1.700 -0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.940 -2.814 1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.355 -1.431 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.708 -2.763 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.406 -4.152 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.954 -3.422 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.018 -2.961 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.288 -5.635 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.318 -3.767 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.857 -5.176 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.669 -7.424 -1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.613 -7.222 -2.694 1.00 0.00 H new ATOM 380 N SER A 27 -12.772 -0.715 3.044 1.00 0.00 N ATOM 381 CA SER A 27 -12.563 0.520 3.849 1.00 0.00 C ATOM 382 C SER A 27 -11.239 1.173 3.441 1.00 0.00 C ATOM 383 O SER A 27 -11.117 2.381 3.401 1.00 0.00 O ATOM 384 CB SER A 27 -12.502 0.164 5.333 1.00 0.00 C ATOM 385 OG SER A 27 -12.566 1.360 6.100 1.00 0.00 O ATOM 0 H SER A 27 -12.688 -1.594 3.555 1.00 0.00 H new ATOM 0 HA SER A 27 -13.389 1.208 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.328 -0.496 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.581 -0.375 5.553 1.00 0.00 H new ATOM 0 HG SER A 27 -11.757 1.442 6.647 1.00 0.00 H new ATOM 391 N ILE A 28 -10.227 0.379 3.189 1.00 0.00 N ATOM 392 CA ILE A 28 -8.898 0.950 2.843 1.00 0.00 C ATOM 393 C ILE A 28 -8.902 1.507 1.419 1.00 0.00 C ATOM 394 O ILE A 28 -8.394 2.579 1.157 1.00 0.00 O ATOM 395 CB ILE A 28 -7.847 -0.156 2.946 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.765 -0.654 4.391 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.490 0.391 2.515 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.983 -1.970 4.436 1.00 0.00 C ATOM 0 H ILE A 28 -10.269 -0.640 3.209 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.670 1.762 3.533 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.127 -0.984 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.276 0.093 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.767 -0.801 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.740 -0.397 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.549 0.741 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.209 1.220 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.925 -2.324 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.490 -2.716 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.976 -1.808 4.051 1.00 0.00 H new ATOM 410 N ILE A 29 -9.453 0.771 0.497 1.00 0.00 N ATOM 411 CA ILE A 29 -9.462 1.251 -0.911 1.00 0.00 C ATOM 412 C ILE A 29 -10.408 2.442 -1.050 1.00 0.00 C ATOM 413 O ILE A 29 -10.155 3.346 -1.813 1.00 0.00 O ATOM 414 CB ILE A 29 -9.898 0.118 -1.849 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.965 -1.090 -1.676 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.831 0.605 -3.300 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.612 -2.329 -2.298 1.00 0.00 C ATOM 0 H ILE A 29 -9.894 -0.135 0.655 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.455 1.567 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.919 -0.177 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.004 -0.892 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.768 -1.262 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.140 -0.199 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.496 1.459 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.809 0.901 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.950 -3.186 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.562 -2.531 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.786 -2.154 -3.360 1.00 0.00 H new ATOM 429 N GLY A 30 -11.506 2.462 -0.346 1.00 0.00 N ATOM 430 CA GLY A 30 -12.453 3.605 -0.495 1.00 0.00 C ATOM 431 C GLY A 30 -13.407 3.284 -1.645 1.00 0.00 C ATOM 432 O GLY A 30 -13.425 2.181 -2.154 1.00 0.00 O ATOM 0 H GLY A 30 -11.788 1.743 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.010 3.761 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.908 4.527 -0.698 1.00 0.00 H new ATOM 436 N LYS A 31 -14.193 4.235 -2.075 1.00 0.00 N ATOM 437 CA LYS A 31 -15.130 3.974 -3.208 1.00 0.00 C ATOM 438 C LYS A 31 -14.453 4.351 -4.528 1.00 0.00 C ATOM 439 O LYS A 31 -14.592 3.670 -5.525 1.00 0.00 O ATOM 440 CB LYS A 31 -16.393 4.818 -3.032 1.00 0.00 C ATOM 441 CG LYS A 31 -17.429 4.407 -4.086 1.00 0.00 C ATOM 442 CD LYS A 31 -18.738 5.176 -3.862 1.00 0.00 C ATOM 443 CE LYS A 31 -19.701 4.905 -5.024 1.00 0.00 C ATOM 444 NZ LYS A 31 -19.540 3.498 -5.489 1.00 0.00 N ATOM 0 H LYS A 31 -14.227 5.180 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.395 2.917 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.801 4.678 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.154 5.877 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.044 4.611 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.613 3.334 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.194 4.871 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.535 6.244 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.729 5.078 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.501 5.595 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.364 3.225 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.678 3.419 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.466 2.867 -4.666 1.00 0.00 H new ATOM 458 N GLY A 32 -13.730 5.445 -4.542 1.00 0.00 N ATOM 459 CA GLY A 32 -13.044 5.900 -5.794 1.00 0.00 C ATOM 460 C GLY A 32 -11.529 5.697 -5.683 1.00 0.00 C ATOM 461 O GLY A 32 -10.772 6.240 -6.463 1.00 0.00 O ATOM 0 H GLY A 32 -13.584 6.048 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.429 5.344 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.263 6.953 -5.973 1.00 0.00 H new ATOM 465 N GLY A 33 -11.071 4.928 -4.733 1.00 0.00 N ATOM 466 CA GLY A 33 -9.597 4.716 -4.610 1.00 0.00 C ATOM 467 C GLY A 33 -8.931 6.015 -4.152 1.00 0.00 C ATOM 468 O GLY A 33 -7.737 6.049 -3.933 1.00 0.00 O ATOM 0 H GLY A 33 -11.644 4.442 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.392 3.918 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.183 4.401 -5.568 1.00 0.00 H new ATOM 472 N GLN A 34 -9.665 7.094 -4.054 1.00 0.00 N ATOM 473 CA GLN A 34 -9.033 8.396 -3.662 1.00 0.00 C ATOM 474 C GLN A 34 -8.048 8.180 -2.500 1.00 0.00 C ATOM 475 O GLN A 34 -7.152 8.973 -2.282 1.00 0.00 O ATOM 476 CB GLN A 34 -10.136 9.363 -3.202 1.00 0.00 C ATOM 477 CG GLN A 34 -10.885 9.923 -4.420 1.00 0.00 C ATOM 478 CD GLN A 34 -12.003 10.857 -3.950 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.000 11.308 -2.822 1.00 0.00 O ATOM 480 NE2 GLN A 34 -12.965 11.169 -4.775 1.00 0.00 N ATOM 0 H GLN A 34 -10.669 7.133 -4.227 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.495 8.805 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.833 8.846 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.699 10.179 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.194 10.463 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.303 9.107 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.967 10.790 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.714 11.792 -4.473 1.00 0.00 H new ATOM 489 N ARG A 35 -8.226 7.136 -1.733 1.00 0.00 N ATOM 490 CA ARG A 35 -7.318 6.904 -0.561 1.00 0.00 C ATOM 491 C ARG A 35 -6.013 6.240 -1.011 1.00 0.00 C ATOM 492 O ARG A 35 -4.950 6.573 -0.525 1.00 0.00 O ATOM 493 CB ARG A 35 -8.025 5.998 0.469 1.00 0.00 C ATOM 494 CG ARG A 35 -7.077 5.661 1.633 1.00 0.00 C ATOM 495 CD ARG A 35 -6.519 6.943 2.267 1.00 0.00 C ATOM 496 NE ARG A 35 -7.593 7.972 2.372 1.00 0.00 N ATOM 497 CZ ARG A 35 -7.435 8.998 3.162 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.335 9.126 3.854 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.374 9.898 3.261 1.00 0.00 N ATOM 0 H ARG A 35 -8.956 6.435 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.083 7.867 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.915 6.498 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.358 5.079 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.609 5.079 2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.256 5.041 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.117 6.724 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.695 7.326 1.666 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.450 7.874 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.599 8.424 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.211 9.928 4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.233 9.800 2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.249 10.700 3.879 1.00 0.00 H new ATOM 513 N ILE A 36 -6.065 5.311 -1.927 1.00 0.00 N ATOM 514 CA ILE A 36 -4.802 4.655 -2.378 1.00 0.00 C ATOM 515 C ILE A 36 -4.018 5.633 -3.272 1.00 0.00 C ATOM 516 O ILE A 36 -2.808 5.571 -3.357 1.00 0.00 O ATOM 517 CB ILE A 36 -5.143 3.328 -3.110 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.002 2.136 -2.137 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.238 3.109 -4.333 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.528 1.722 -1.984 1.00 0.00 C ATOM 0 H ILE A 36 -6.917 4.980 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.170 4.405 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.173 3.396 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.411 2.406 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.585 1.291 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.505 2.171 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.369 3.933 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.197 3.068 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.456 0.881 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.130 1.429 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.953 2.562 -1.594 1.00 0.00 H new ATOM 532 N LYS A 37 -4.692 6.538 -3.925 1.00 0.00 N ATOM 533 CA LYS A 37 -3.971 7.512 -4.792 1.00 0.00 C ATOM 534 C LYS A 37 -3.171 8.472 -3.907 1.00 0.00 C ATOM 535 O LYS A 37 -2.035 8.791 -4.193 1.00 0.00 O ATOM 536 CB LYS A 37 -4.982 8.300 -5.625 1.00 0.00 C ATOM 537 CG LYS A 37 -5.739 7.341 -6.547 1.00 0.00 C ATOM 538 CD LYS A 37 -6.711 8.132 -7.424 1.00 0.00 C ATOM 539 CE LYS A 37 -7.476 7.169 -8.334 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.500 7.924 -9.110 1.00 0.00 N ATOM 0 H LYS A 37 -5.706 6.646 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.294 6.981 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.681 8.821 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.470 9.060 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.036 6.790 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.284 6.605 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.408 8.691 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.166 8.861 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.786 6.669 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.956 6.393 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.020 7.269 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.165 8.382 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.031 8.649 -9.690 1.00 0.00 H new ATOM 554 N GLN A 38 -3.751 8.944 -2.839 1.00 0.00 N ATOM 555 CA GLN A 38 -3.011 9.888 -1.953 1.00 0.00 C ATOM 556 C GLN A 38 -1.762 9.204 -1.387 1.00 0.00 C ATOM 557 O GLN A 38 -0.675 9.746 -1.432 1.00 0.00 O ATOM 558 CB GLN A 38 -3.919 10.327 -0.801 1.00 0.00 C ATOM 559 CG GLN A 38 -3.218 11.418 0.012 1.00 0.00 C ATOM 560 CD GLN A 38 -4.169 11.947 1.085 1.00 0.00 C ATOM 561 OE1 GLN A 38 -4.832 12.946 0.888 1.00 0.00 O ATOM 562 NE2 GLN A 38 -4.266 11.315 2.223 1.00 0.00 N ATOM 0 H GLN A 38 -4.700 8.719 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.709 10.760 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.865 10.701 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.152 9.475 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.316 11.018 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.905 12.230 -0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.710 10.476 2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.898 11.660 2.946 1.00 0.00 H new ATOM 571 N ILE A 39 -1.903 8.024 -0.846 1.00 0.00 N ATOM 572 CA ILE A 39 -0.719 7.319 -0.271 1.00 0.00 C ATOM 573 C ILE A 39 0.407 7.258 -1.308 1.00 0.00 C ATOM 574 O ILE A 39 1.573 7.313 -0.972 1.00 0.00 O ATOM 575 CB ILE A 39 -1.116 5.894 0.127 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.184 5.953 1.223 1.00 0.00 C ATOM 577 CG2 ILE A 39 0.114 5.147 0.652 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.750 4.550 1.462 1.00 0.00 C ATOM 0 H ILE A 39 -2.786 7.517 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.372 7.864 0.607 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.513 5.370 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.753 6.345 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.983 6.634 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.169 4.133 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.875 5.107 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.512 5.669 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.510 4.592 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.196 4.176 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.947 3.882 1.774 1.00 0.00 H new ATOM 590 N ARG A 40 0.071 7.141 -2.563 1.00 0.00 N ATOM 591 CA ARG A 40 1.133 7.072 -3.611 1.00 0.00 C ATOM 592 C ARG A 40 1.878 8.409 -3.690 1.00 0.00 C ATOM 593 O ARG A 40 3.067 8.452 -3.931 1.00 0.00 O ATOM 594 CB ARG A 40 0.492 6.772 -4.969 1.00 0.00 C ATOM 595 CG ARG A 40 0.053 5.309 -5.019 1.00 0.00 C ATOM 596 CD ARG A 40 -0.597 5.018 -6.372 1.00 0.00 C ATOM 597 NE ARG A 40 0.385 5.282 -7.461 1.00 0.00 N ATOM 598 CZ ARG A 40 0.160 4.833 -8.666 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.926 4.155 -8.916 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.020 5.062 -9.619 1.00 0.00 N ATOM 0 H ARG A 40 -0.887 7.090 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 40 1.837 6.281 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.366 7.425 -5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.202 6.976 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.912 4.655 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.651 5.102 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.931 3.981 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.480 5.642 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 40 1.233 5.814 -7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.599 3.976 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.103 3.804 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.869 5.592 -9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.844 4.711 -10.560 1.00 0.00 H new ATOM 614 N HIS A 41 1.186 9.501 -3.505 1.00 0.00 N ATOM 615 CA HIS A 41 1.855 10.832 -3.589 1.00 0.00 C ATOM 616 C HIS A 41 2.579 11.149 -2.275 1.00 0.00 C ATOM 617 O HIS A 41 3.633 11.753 -2.269 1.00 0.00 O ATOM 618 CB HIS A 41 0.802 11.910 -3.855 1.00 0.00 C ATOM 619 CG HIS A 41 0.165 11.673 -5.197 1.00 0.00 C ATOM 620 ND1 HIS A 41 -0.714 10.625 -5.424 1.00 0.00 N ATOM 621 CD2 HIS A 41 0.269 12.340 -6.393 1.00 0.00 C ATOM 622 CE1 HIS A 41 -1.103 10.693 -6.710 1.00 0.00 C ATOM 623 NE2 HIS A 41 -0.532 11.720 -7.347 1.00 0.00 N ATOM 0 H HIS A 41 0.187 9.529 -3.300 1.00 0.00 H new ATOM 0 HA HIS A 41 2.583 10.811 -4.400 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.043 11.892 -3.073 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.263 12.897 -3.829 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -1.012 9.929 -4.740 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.880 13.213 -6.567 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -1.793 10.002 -7.172 1.00 0.00 H new ATOM 631 N GLU A 42 2.014 10.765 -1.163 1.00 0.00 N ATOM 632 CA GLU A 42 2.663 11.065 0.148 1.00 0.00 C ATOM 633 C GLU A 42 3.868 10.150 0.371 1.00 0.00 C ATOM 634 O GLU A 42 4.895 10.574 0.864 1.00 0.00 O ATOM 635 CB GLU A 42 1.655 10.849 1.279 1.00 0.00 C ATOM 636 CG GLU A 42 0.394 11.670 1.011 1.00 0.00 C ATOM 637 CD GLU A 42 0.719 13.161 1.135 1.00 0.00 C ATOM 638 OE1 GLU A 42 1.299 13.539 2.138 1.00 0.00 O ATOM 639 OE2 GLU A 42 0.381 13.898 0.223 1.00 0.00 O ATOM 0 H GLU A 42 1.132 10.257 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 42 3.000 12.102 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.402 9.792 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.095 11.142 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.011 11.452 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.388 11.397 1.720 1.00 0.00 H new ATOM 646 N SER A 43 3.746 8.894 0.040 1.00 0.00 N ATOM 647 CA SER A 43 4.880 7.947 0.264 1.00 0.00 C ATOM 648 C SER A 43 5.833 7.955 -0.934 1.00 0.00 C ATOM 649 O SER A 43 6.985 7.590 -0.821 1.00 0.00 O ATOM 650 CB SER A 43 4.322 6.539 0.469 1.00 0.00 C ATOM 651 OG SER A 43 4.146 5.915 -0.796 1.00 0.00 O ATOM 0 H SER A 43 2.911 8.481 -0.376 1.00 0.00 H new ATOM 0 HA SER A 43 5.435 8.260 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.003 5.952 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.371 6.586 1.000 1.00 0.00 H new ATOM 0 HG SER A 43 3.288 6.192 -1.181 1.00 0.00 H new ATOM 657 N GLY A 44 5.362 8.344 -2.087 1.00 0.00 N ATOM 658 CA GLY A 44 6.251 8.339 -3.284 1.00 0.00 C ATOM 659 C GLY A 44 6.412 6.892 -3.745 1.00 0.00 C ATOM 660 O GLY A 44 7.127 6.593 -4.680 1.00 0.00 O ATOM 0 H GLY A 44 4.407 8.663 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.822 8.947 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.221 8.772 -3.040 1.00 0.00 H new ATOM 664 N ALA A 45 5.747 5.995 -3.074 1.00 0.00 N ATOM 665 CA ALA A 45 5.832 4.552 -3.426 1.00 0.00 C ATOM 666 C ALA A 45 4.854 4.227 -4.552 1.00 0.00 C ATOM 667 O ALA A 45 3.893 4.932 -4.788 1.00 0.00 O ATOM 668 CB ALA A 45 5.468 3.718 -2.198 1.00 0.00 C ATOM 0 H ALA A 45 5.138 6.205 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 45 6.846 4.323 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.528 2.659 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.163 3.940 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.453 3.960 -1.882 1.00 0.00 H new ATOM 674 N SER A 46 5.077 3.121 -5.210 1.00 0.00 N ATOM 675 CA SER A 46 4.158 2.665 -6.293 1.00 0.00 C ATOM 676 C SER A 46 3.419 1.444 -5.755 1.00 0.00 C ATOM 677 O SER A 46 3.998 0.635 -5.059 1.00 0.00 O ATOM 678 CB SER A 46 4.970 2.273 -7.529 1.00 0.00 C ATOM 679 OG SER A 46 5.686 3.407 -8.000 1.00 0.00 O ATOM 0 H SER A 46 5.871 2.504 -5.040 1.00 0.00 H new ATOM 0 HA SER A 46 3.462 3.454 -6.578 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.662 1.468 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.308 1.897 -8.309 1.00 0.00 H new ATOM 0 HG SER A 46 6.209 3.159 -8.791 1.00 0.00 H new ATOM 685 N ILE A 47 2.150 1.297 -6.040 1.00 0.00 N ATOM 686 CA ILE A 47 1.389 0.123 -5.511 1.00 0.00 C ATOM 687 C ILE A 47 0.477 -0.440 -6.598 1.00 0.00 C ATOM 688 O ILE A 47 -0.184 0.293 -7.308 1.00 0.00 O ATOM 689 CB ILE A 47 0.538 0.567 -4.308 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.463 0.951 -3.145 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.387 -0.580 -3.865 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.641 1.561 -2.007 1.00 0.00 C ATOM 0 H ILE A 47 1.607 1.940 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 47 2.092 -0.649 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.069 1.425 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.998 0.071 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.214 1.664 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.985 -0.257 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.046 -0.854 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.215 -1.443 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.303 1.832 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.127 2.452 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.093 0.834 -1.658 1.00 0.00 H new ATOM 704 N LYS A 48 0.433 -1.738 -6.728 1.00 0.00 N ATOM 705 CA LYS A 48 -0.429 -2.394 -7.754 1.00 0.00 C ATOM 706 C LYS A 48 -1.394 -3.322 -7.025 1.00 0.00 C ATOM 707 O LYS A 48 -0.982 -4.146 -6.232 1.00 0.00 O ATOM 708 CB LYS A 48 0.461 -3.218 -8.692 1.00 0.00 C ATOM 709 CG LYS A 48 -0.370 -3.765 -9.856 1.00 0.00 C ATOM 710 CD LYS A 48 0.422 -4.856 -10.585 1.00 0.00 C ATOM 711 CE LYS A 48 1.796 -4.315 -10.993 1.00 0.00 C ATOM 712 NZ LYS A 48 2.377 -5.190 -12.051 1.00 0.00 N ATOM 0 H LYS A 48 0.971 -2.386 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.979 -1.654 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.273 -2.599 -9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.919 -4.041 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.311 -4.171 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.621 -2.960 -10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.541 -5.725 -9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.125 -5.187 -11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.702 -3.293 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.458 -4.283 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.310 -4.825 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.480 -6.158 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.747 -5.199 -12.879 1.00 0.00 H new ATOM 726 N ILE A 49 -2.673 -3.207 -7.269 1.00 0.00 N ATOM 727 CA ILE A 49 -3.660 -4.086 -6.577 1.00 0.00 C ATOM 728 C ILE A 49 -4.030 -5.233 -7.517 1.00 0.00 C ATOM 729 O ILE A 49 -4.327 -5.022 -8.675 1.00 0.00 O ATOM 730 CB ILE A 49 -4.902 -3.253 -6.241 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.479 -2.041 -5.405 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.894 -4.098 -5.441 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.663 -1.089 -5.231 1.00 0.00 C ATOM 0 H ILE A 49 -3.078 -2.537 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.242 -4.495 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.378 -2.922 -7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.119 -2.369 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.653 -1.523 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.774 -3.500 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.192 -4.965 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.424 -4.432 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.355 -0.230 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.003 -0.749 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.476 -1.609 -4.724 1.00 0.00 H new ATOM 745 N ASP A 50 -4.018 -6.448 -7.037 1.00 0.00 N ATOM 746 CA ASP A 50 -4.373 -7.606 -7.911 1.00 0.00 C ATOM 747 C ASP A 50 -5.861 -7.893 -7.755 1.00 0.00 C ATOM 748 O ASP A 50 -6.444 -7.621 -6.723 1.00 0.00 O ATOM 749 CB ASP A 50 -3.573 -8.834 -7.475 1.00 0.00 C ATOM 750 CG ASP A 50 -3.678 -8.994 -5.961 1.00 0.00 C ATOM 751 OD1 ASP A 50 -4.751 -9.344 -5.495 1.00 0.00 O ATOM 752 OD2 ASP A 50 -2.686 -8.762 -5.292 1.00 0.00 O ATOM 0 H ASP A 50 -3.777 -6.690 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.142 -7.375 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.953 -9.726 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.529 -8.725 -7.769 1.00 0.00 H new ATOM 757 N GLU A 51 -6.486 -8.456 -8.747 1.00 0.00 N ATOM 758 CA GLU A 51 -7.932 -8.769 -8.614 1.00 0.00 C ATOM 759 C GLU A 51 -8.098 -9.872 -7.556 1.00 0.00 C ATOM 760 O GLU A 51 -7.228 -10.707 -7.407 1.00 0.00 O ATOM 761 CB GLU A 51 -8.455 -9.278 -9.960 1.00 0.00 C ATOM 762 CG GLU A 51 -8.487 -8.125 -10.965 1.00 0.00 C ATOM 763 CD GLU A 51 -9.046 -8.624 -12.299 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.766 -9.759 -12.648 1.00 0.00 O ATOM 765 OE2 GLU A 51 -9.745 -7.863 -12.949 1.00 0.00 O ATOM 0 H GLU A 51 -6.062 -8.712 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.487 -7.879 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.816 -10.080 -10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.454 -9.697 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.104 -7.312 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.483 -7.724 -11.107 1.00 0.00 H new ATOM 772 N PRO A 52 -9.192 -9.902 -6.828 1.00 0.00 N ATOM 773 CA PRO A 52 -9.387 -10.965 -5.803 1.00 0.00 C ATOM 774 C PRO A 52 -9.377 -12.367 -6.430 1.00 0.00 C ATOM 775 O PRO A 52 -9.879 -12.574 -7.518 1.00 0.00 O ATOM 776 CB PRO A 52 -10.772 -10.615 -5.218 1.00 0.00 C ATOM 777 CG PRO A 52 -11.403 -9.518 -6.095 1.00 0.00 C ATOM 778 CD PRO A 52 -10.294 -8.908 -6.966 1.00 0.00 C ATOM 0 HA PRO A 52 -8.595 -10.994 -5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.410 -11.499 -5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.673 -10.269 -4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.191 -9.937 -6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.864 -8.751 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.609 -8.793 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.997 -7.921 -6.612 1.00 0.00 H new ATOM 786 N LEU A 53 -8.808 -13.329 -5.753 1.00 0.00 N ATOM 787 CA LEU A 53 -8.765 -14.711 -6.312 1.00 0.00 C ATOM 788 C LEU A 53 -10.093 -15.414 -6.031 1.00 0.00 C ATOM 789 O LEU A 53 -10.599 -15.390 -4.926 1.00 0.00 O ATOM 790 CB LEU A 53 -7.629 -15.500 -5.656 1.00 0.00 C ATOM 791 CG LEU A 53 -6.336 -14.680 -5.689 1.00 0.00 C ATOM 792 CD1 LEU A 53 -5.239 -15.435 -4.935 1.00 0.00 C ATOM 793 CD2 LEU A 53 -5.898 -14.457 -7.143 1.00 0.00 C ATOM 0 H LEU A 53 -8.372 -13.217 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.596 -14.658 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.890 -15.741 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.483 -16.446 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.509 -13.714 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.317 -14.854 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.548 -15.588 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.070 -16.401 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.978 -13.873 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.726 -15.420 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.679 -13.919 -7.680 1.00 0.00 H new ATOM 805 N GLU A 54 -10.660 -16.041 -7.023 1.00 0.00 N ATOM 806 CA GLU A 54 -11.950 -16.747 -6.820 1.00 0.00 C ATOM 807 C GLU A 54 -11.796 -17.779 -5.702 1.00 0.00 C ATOM 808 O GLU A 54 -10.883 -18.581 -5.704 1.00 0.00 O ATOM 809 CB GLU A 54 -12.348 -17.453 -8.117 1.00 0.00 C ATOM 810 CG GLU A 54 -13.812 -17.880 -8.031 1.00 0.00 C ATOM 811 CD GLU A 54 -14.243 -18.503 -9.360 1.00 0.00 C ATOM 812 OE1 GLU A 54 -13.405 -19.106 -10.008 1.00 0.00 O ATOM 813 OE2 GLU A 54 -15.406 -18.364 -9.705 1.00 0.00 O ATOM 0 H GLU A 54 -10.282 -16.094 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.722 -16.028 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.201 -16.787 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.712 -18.323 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.945 -18.597 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.440 -17.019 -7.801 1.00 0.00 H new ATOM 820 N GLY A 55 -12.684 -17.761 -4.747 1.00 0.00 N ATOM 821 CA GLY A 55 -12.600 -18.737 -3.620 1.00 0.00 C ATOM 822 C GLY A 55 -11.740 -18.150 -2.499 1.00 0.00 C ATOM 823 O GLY A 55 -11.019 -18.854 -1.823 1.00 0.00 O ATOM 0 H GLY A 55 -13.468 -17.110 -4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.598 -18.964 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.170 -19.676 -3.969 1.00 0.00 H new ATOM 827 N SER A 56 -11.813 -16.863 -2.298 1.00 0.00 N ATOM 828 CA SER A 56 -11.002 -16.229 -1.222 1.00 0.00 C ATOM 829 C SER A 56 -11.551 -14.831 -0.930 1.00 0.00 C ATOM 830 O SER A 56 -11.307 -13.892 -1.662 1.00 0.00 O ATOM 831 CB SER A 56 -9.546 -16.121 -1.677 1.00 0.00 C ATOM 832 OG SER A 56 -9.044 -17.422 -1.954 1.00 0.00 O ATOM 0 H SER A 56 -12.400 -16.223 -2.833 1.00 0.00 H new ATOM 0 HA SER A 56 -11.055 -16.837 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.476 -15.495 -2.566 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.945 -15.644 -0.903 1.00 0.00 H new ATOM 0 HG SER A 56 -9.605 -18.091 -1.509 1.00 0.00 H new ATOM 838 N GLU A 57 -12.289 -14.683 0.136 1.00 0.00 N ATOM 839 CA GLU A 57 -12.850 -13.346 0.474 1.00 0.00 C ATOM 840 C GLU A 57 -11.717 -12.419 0.922 1.00 0.00 C ATOM 841 O GLU A 57 -11.794 -11.784 1.956 1.00 0.00 O ATOM 842 CB GLU A 57 -13.869 -13.491 1.606 1.00 0.00 C ATOM 843 CG GLU A 57 -15.025 -14.378 1.138 1.00 0.00 C ATOM 844 CD GLU A 57 -14.551 -15.829 1.046 1.00 0.00 C ATOM 845 OE1 GLU A 57 -14.238 -16.396 2.080 1.00 0.00 O ATOM 846 OE2 GLU A 57 -14.507 -16.349 -0.057 1.00 0.00 O ATOM 0 H GLU A 57 -12.527 -15.431 0.787 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.341 -12.924 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.394 -13.927 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.244 -12.511 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.861 -14.301 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.386 -14.040 0.167 1.00 0.00 H new ATOM 853 N ASP A 58 -10.658 -12.350 0.155 1.00 0.00 N ATOM 854 CA ASP A 58 -9.504 -11.475 0.532 1.00 0.00 C ATOM 855 C ASP A 58 -8.927 -10.797 -0.712 1.00 0.00 C ATOM 856 O ASP A 58 -9.013 -11.297 -1.816 1.00 0.00 O ATOM 857 CB ASP A 58 -8.420 -12.330 1.194 1.00 0.00 C ATOM 858 CG ASP A 58 -8.997 -13.017 2.432 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.655 -14.031 2.270 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.772 -12.517 3.522 1.00 0.00 O ATOM 0 H ASP A 58 -10.542 -12.863 -0.719 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.848 -10.708 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.050 -13.076 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.571 -11.707 1.474 1.00 0.00 H new ATOM 865 N ARG A 59 -8.310 -9.659 -0.515 1.00 0.00 N ATOM 866 CA ARG A 59 -7.673 -8.902 -1.636 1.00 0.00 C ATOM 867 C ARG A 59 -6.178 -8.782 -1.331 1.00 0.00 C ATOM 868 O ARG A 59 -5.788 -8.578 -0.201 1.00 0.00 O ATOM 869 CB ARG A 59 -8.289 -7.495 -1.729 1.00 0.00 C ATOM 870 CG ARG A 59 -9.678 -7.560 -2.413 1.00 0.00 C ATOM 871 CD ARG A 59 -10.025 -6.221 -3.081 1.00 0.00 C ATOM 872 NE ARG A 59 -11.445 -6.252 -3.531 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.052 -5.143 -3.857 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.417 -4.006 -3.783 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.293 -5.174 -4.256 1.00 0.00 N ATOM 0 H ARG A 59 -8.219 -9.213 0.398 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.833 -9.420 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.387 -7.067 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.628 -6.838 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.683 -8.355 -3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.440 -7.811 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.871 -5.400 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.366 -6.043 -3.930 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.943 -7.140 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.446 -3.983 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.891 -3.140 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.788 -6.064 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.768 -4.308 -4.511 1.00 0.00 H new ATOM 889 N ILE A 60 -5.337 -8.935 -2.326 1.00 0.00 N ATOM 890 CA ILE A 60 -3.857 -8.856 -2.086 1.00 0.00 C ATOM 891 C ILE A 60 -3.274 -7.593 -2.733 1.00 0.00 C ATOM 892 O ILE A 60 -3.670 -7.194 -3.810 1.00 0.00 O ATOM 893 CB ILE A 60 -3.208 -10.109 -2.675 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.621 -11.313 -1.819 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.682 -9.969 -2.654 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.326 -12.601 -2.572 1.00 0.00 C ATOM 0 H ILE A 60 -5.609 -9.111 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.656 -8.802 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.534 -10.245 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.080 -11.301 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.683 -11.255 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.228 -10.866 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.388 -9.102 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.343 -9.839 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.620 -13.455 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.887 -12.613 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.259 -12.660 -2.788 1.00 0.00 H new ATOM 908 N ILE A 61 -2.343 -6.960 -2.066 1.00 0.00 N ATOM 909 CA ILE A 61 -1.720 -5.711 -2.612 1.00 0.00 C ATOM 910 C ILE A 61 -0.204 -5.881 -2.735 1.00 0.00 C ATOM 911 O ILE A 61 0.423 -6.533 -1.926 1.00 0.00 O ATOM 912 CB ILE A 61 -2.010 -4.544 -1.662 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.511 -4.245 -1.686 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.231 -3.303 -2.122 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.858 -3.232 -0.594 1.00 0.00 C ATOM 0 H ILE A 61 -1.983 -7.256 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.141 -5.512 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.702 -4.806 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.797 -3.853 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.076 -5.165 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.437 -2.473 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.163 -3.520 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.539 -3.034 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.928 -3.024 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.589 -3.640 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.305 -2.308 -0.766 1.00 0.00 H new ATOM 927 N THR A 62 0.381 -5.291 -3.750 1.00 0.00 N ATOM 928 CA THR A 62 1.862 -5.397 -3.957 1.00 0.00 C ATOM 929 C THR A 62 2.487 -4.001 -3.869 1.00 0.00 C ATOM 930 O THR A 62 2.111 -3.098 -4.589 1.00 0.00 O ATOM 931 CB THR A 62 2.133 -5.996 -5.342 1.00 0.00 C ATOM 932 OG1 THR A 62 1.510 -7.269 -5.435 1.00 0.00 O ATOM 933 CG2 THR A 62 3.640 -6.148 -5.545 1.00 0.00 C ATOM 0 H THR A 62 -0.109 -4.735 -4.451 1.00 0.00 H new ATOM 0 HA THR A 62 2.299 -6.037 -3.190 1.00 0.00 H new ATOM 0 HB THR A 62 1.729 -5.337 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.681 -7.653 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.833 -6.574 -6.530 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.117 -5.171 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.046 -6.808 -4.778 1.00 0.00 H new ATOM 941 N ILE A 63 3.440 -3.820 -2.986 1.00 0.00 N ATOM 942 CA ILE A 63 4.105 -2.487 -2.829 1.00 0.00 C ATOM 943 C ILE A 63 5.496 -2.531 -3.464 1.00 0.00 C ATOM 944 O ILE A 63 6.252 -3.449 -3.216 1.00 0.00 O ATOM 945 CB ILE A 63 4.265 -2.187 -1.336 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.922 -2.406 -0.629 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.721 -0.732 -1.159 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.031 -1.982 0.835 1.00 0.00 C ATOM 0 H ILE A 63 3.789 -4.547 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 63 3.500 -1.720 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 63 5.011 -2.852 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.141 -1.831 -1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.634 -3.455 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.836 -0.513 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.675 -0.586 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.976 -0.062 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.074 -2.140 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.799 -2.576 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.298 -0.927 0.889 1.00 0.00 H new ATOM 960 N THR A 64 5.855 -1.554 -4.263 1.00 0.00 N ATOM 961 CA THR A 64 7.225 -1.558 -4.886 1.00 0.00 C ATOM 962 C THR A 64 7.889 -0.201 -4.650 1.00 0.00 C ATOM 963 O THR A 64 7.302 0.835 -4.896 1.00 0.00 O ATOM 964 CB THR A 64 7.109 -1.818 -6.390 1.00 0.00 C ATOM 965 OG1 THR A 64 6.270 -2.943 -6.611 1.00 0.00 O ATOM 966 CG2 THR A 64 8.497 -2.092 -6.972 1.00 0.00 C ATOM 0 H THR A 64 5.267 -0.759 -4.511 1.00 0.00 H new ATOM 0 HA THR A 64 7.828 -2.345 -4.433 1.00 0.00 H new ATOM 0 HB THR A 64 6.680 -0.943 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.193 -3.110 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.412 -2.277 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.140 -1.228 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.929 -2.967 -6.486 1.00 0.00 H new ATOM 974 N GLY A 65 9.103 -0.187 -4.164 1.00 0.00 N ATOM 975 CA GLY A 65 9.804 1.100 -3.896 1.00 0.00 C ATOM 976 C GLY A 65 10.984 0.839 -2.952 1.00 0.00 C ATOM 977 O GLY A 65 11.293 -0.292 -2.633 1.00 0.00 O ATOM 0 H GLY A 65 9.643 -1.023 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.158 1.537 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.116 1.817 -3.449 1.00 0.00 H new ATOM 981 N THR A 66 11.646 1.870 -2.500 1.00 0.00 N ATOM 982 CA THR A 66 12.801 1.666 -1.575 1.00 0.00 C ATOM 983 C THR A 66 12.287 1.267 -0.187 1.00 0.00 C ATOM 984 O THR A 66 11.139 1.476 0.152 1.00 0.00 O ATOM 985 CB THR A 66 13.620 2.954 -1.473 1.00 0.00 C ATOM 986 OG1 THR A 66 12.752 4.044 -1.189 1.00 0.00 O ATOM 987 CG2 THR A 66 14.342 3.204 -2.798 1.00 0.00 C ATOM 0 H THR A 66 11.439 2.842 -2.730 1.00 0.00 H new ATOM 0 HA THR A 66 13.436 0.871 -1.966 1.00 0.00 H new ATOM 0 HB THR A 66 14.355 2.858 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.275 4.870 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.926 4.122 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.006 2.367 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.609 3.302 -3.599 1.00 0.00 H new ATOM 995 N GLN A 67 13.142 0.679 0.612 1.00 0.00 N ATOM 996 CA GLN A 67 12.733 0.242 1.982 1.00 0.00 C ATOM 997 C GLN A 67 11.964 1.363 2.681 1.00 0.00 C ATOM 998 O GLN A 67 10.924 1.142 3.270 1.00 0.00 O ATOM 999 CB GLN A 67 13.992 -0.103 2.800 1.00 0.00 C ATOM 1000 CG GLN A 67 13.633 -1.074 3.931 1.00 0.00 C ATOM 1001 CD GLN A 67 12.571 -0.443 4.835 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.340 -0.875 4.773 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 12.863 0.450 5.603 1.00 0.00 N flip ATOM 0 H GLN A 67 14.113 0.482 0.372 1.00 0.00 H new ATOM 0 HA GLN A 67 12.090 -0.635 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.746 -0.550 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.427 0.806 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.261 -2.010 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.523 -1.315 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.824 0.787 5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.147 0.863 6.200 1.00 0.00 H new ATOM 1012 N ASP A 68 12.472 2.560 2.633 1.00 0.00 N ATOM 1013 CA ASP A 68 11.778 3.689 3.309 1.00 0.00 C ATOM 1014 C ASP A 68 10.463 3.989 2.593 1.00 0.00 C ATOM 1015 O ASP A 68 9.439 4.175 3.221 1.00 0.00 O ATOM 1016 CB ASP A 68 12.671 4.931 3.283 1.00 0.00 C ATOM 1017 CG ASP A 68 13.995 4.623 3.983 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.797 3.908 3.404 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.186 5.106 5.088 1.00 0.00 O ATOM 0 H ASP A 68 13.339 2.806 2.155 1.00 0.00 H new ATOM 0 HA ASP A 68 11.570 3.415 4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.855 5.238 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.170 5.762 3.779 1.00 0.00 H new ATOM 1024 N GLN A 69 10.469 4.054 1.290 1.00 0.00 N ATOM 1025 CA GLN A 69 9.205 4.358 0.570 1.00 0.00 C ATOM 1026 C GLN A 69 8.165 3.286 0.905 1.00 0.00 C ATOM 1027 O GLN A 69 6.994 3.565 1.072 1.00 0.00 O ATOM 1028 CB GLN A 69 9.459 4.373 -0.939 1.00 0.00 C ATOM 1029 CG GLN A 69 10.255 5.624 -1.313 1.00 0.00 C ATOM 1030 CD GLN A 69 10.678 5.536 -2.781 1.00 0.00 C ATOM 1031 OE1 GLN A 69 10.096 4.798 -3.550 1.00 0.00 O ATOM 1032 NE2 GLN A 69 11.674 6.265 -3.204 1.00 0.00 N ATOM 0 H GLN A 69 11.288 3.911 0.699 1.00 0.00 H new ATOM 0 HA GLN A 69 8.837 5.336 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.008 3.479 -1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.511 4.358 -1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.650 6.516 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.134 5.714 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.163 6.885 -2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.964 6.215 -4.181 1.00 0.00 H new ATOM 1041 N ILE A 70 8.598 2.055 1.004 1.00 0.00 N ATOM 1042 CA ILE A 70 7.664 0.941 1.330 1.00 0.00 C ATOM 1043 C ILE A 70 7.180 1.061 2.777 1.00 0.00 C ATOM 1044 O ILE A 70 6.004 0.930 3.053 1.00 0.00 O ATOM 1045 CB ILE A 70 8.397 -0.400 1.153 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.666 -0.641 -0.336 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.537 -1.545 1.708 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.610 -1.836 -0.500 1.00 0.00 C ATOM 0 H ILE A 70 9.569 1.774 0.871 1.00 0.00 H new ATOM 0 HA ILE A 70 6.804 0.991 0.662 1.00 0.00 H new ATOM 0 HB ILE A 70 9.341 -0.366 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.729 -0.830 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.108 0.249 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.063 -2.491 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.348 -1.377 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.589 -1.581 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.801 -2.006 -1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.551 -1.629 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.151 -2.724 -0.066 1.00 0.00 H new ATOM 1060 N GLN A 71 8.063 1.310 3.710 1.00 0.00 N ATOM 1061 CA GLN A 71 7.640 1.436 5.132 1.00 0.00 C ATOM 1062 C GLN A 71 6.643 2.586 5.270 1.00 0.00 C ATOM 1063 O GLN A 71 5.640 2.471 5.947 1.00 0.00 O ATOM 1064 CB GLN A 71 8.872 1.723 5.996 1.00 0.00 C ATOM 1065 CG GLN A 71 8.475 1.723 7.473 1.00 0.00 C ATOM 1066 CD GLN A 71 9.737 1.881 8.334 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.827 1.983 7.807 1.00 0.00 O ATOM 1068 NE2 GLN A 71 9.647 1.906 9.644 1.00 0.00 N ATOM 0 H GLN A 71 9.062 1.431 3.545 1.00 0.00 H new ATOM 0 HA GLN A 71 7.168 0.509 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.639 0.970 5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.302 2.687 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.778 2.537 7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.962 0.794 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.736 1.821 10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.488 2.010 10.211 1.00 0.00 H new ATOM 1077 N ASN A 72 6.905 3.696 4.634 1.00 0.00 N ATOM 1078 CA ASN A 72 5.961 4.843 4.732 1.00 0.00 C ATOM 1079 C ASN A 72 4.610 4.419 4.162 1.00 0.00 C ATOM 1080 O ASN A 72 3.567 4.796 4.658 1.00 0.00 O ATOM 1081 CB ASN A 72 6.505 6.031 3.935 1.00 0.00 C ATOM 1082 CG ASN A 72 5.629 7.258 4.187 1.00 0.00 C ATOM 1083 OD1 ASN A 72 4.434 7.138 4.367 1.00 0.00 O ATOM 1084 ND2 ASN A 72 6.176 8.443 4.208 1.00 0.00 N ATOM 0 H ASN A 72 7.728 3.857 4.054 1.00 0.00 H new ATOM 0 HA ASN A 72 5.848 5.139 5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.534 6.239 4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.519 5.793 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.600 9.268 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.180 8.544 4.057 1.00 0.00 H new ATOM 1091 N ALA A 73 4.626 3.636 3.120 1.00 0.00 N ATOM 1092 CA ALA A 73 3.350 3.182 2.504 1.00 0.00 C ATOM 1093 C ALA A 73 2.687 2.137 3.404 1.00 0.00 C ATOM 1094 O ALA A 73 1.502 2.193 3.668 1.00 0.00 O ATOM 1095 CB ALA A 73 3.644 2.563 1.137 1.00 0.00 C ATOM 0 H ALA A 73 5.472 3.290 2.667 1.00 0.00 H new ATOM 0 HA ALA A 73 2.679 4.033 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.712 2.229 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.116 3.307 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.314 1.712 1.259 1.00 0.00 H new ATOM 1101 N GLN A 74 3.440 1.176 3.867 1.00 0.00 N ATOM 1102 CA GLN A 74 2.861 0.115 4.739 1.00 0.00 C ATOM 1103 C GLN A 74 2.268 0.736 6.006 1.00 0.00 C ATOM 1104 O GLN A 74 1.171 0.406 6.409 1.00 0.00 O ATOM 1105 CB GLN A 74 3.962 -0.873 5.131 1.00 0.00 C ATOM 1106 CG GLN A 74 4.328 -1.735 3.921 1.00 0.00 C ATOM 1107 CD GLN A 74 5.401 -2.749 4.323 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.063 -3.318 3.477 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.603 -3.001 5.587 1.00 0.00 N ATOM 0 H GLN A 74 4.438 1.080 3.677 1.00 0.00 H new ATOM 0 HA GLN A 74 2.072 -0.402 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.840 -0.333 5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.623 -1.505 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.444 -2.253 3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.693 -1.105 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.048 -2.524 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.316 -3.675 5.865 1.00 0.00 H new ATOM 1118 N TYR A 75 2.984 1.618 6.647 1.00 0.00 N ATOM 1119 CA TYR A 75 2.452 2.234 7.895 1.00 0.00 C ATOM 1120 C TYR A 75 1.164 3.004 7.589 1.00 0.00 C ATOM 1121 O TYR A 75 0.263 3.057 8.403 1.00 0.00 O ATOM 1122 CB TYR A 75 3.501 3.177 8.496 1.00 0.00 C ATOM 1123 CG TYR A 75 3.186 3.434 9.952 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.291 4.451 10.307 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.792 2.657 10.946 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.002 4.689 11.656 1.00 0.00 C ATOM 1127 CE2 TYR A 75 3.503 2.896 12.295 1.00 0.00 C ATOM 1128 CZ TYR A 75 2.607 3.911 12.650 1.00 0.00 C ATOM 1129 OH TYR A 75 2.322 4.147 13.980 1.00 0.00 O ATOM 0 H TYR A 75 3.910 1.938 6.363 1.00 0.00 H new ATOM 0 HA TYR A 75 2.228 1.447 8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.494 2.738 8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.515 4.118 7.946 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.824 5.051 9.540 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.483 1.873 10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.312 5.473 11.930 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.972 2.297 13.062 1.00 0.00 H new ATOM 0 HH TYR A 75 2.825 3.518 14.539 1.00 0.00 H new ATOM 1139 N LEU A 76 1.053 3.595 6.429 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.198 4.343 6.108 1.00 0.00 C ATOM 1141 C LEU A 76 -1.314 3.339 5.809 1.00 0.00 C ATOM 1142 O LEU A 76 -2.482 3.635 5.968 1.00 0.00 O ATOM 1143 CB LEU A 76 0.016 5.256 4.895 1.00 0.00 C ATOM 1144 CG LEU A 76 1.003 6.386 5.239 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.569 6.980 3.946 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.290 7.498 6.022 1.00 0.00 C ATOM 0 H LEU A 76 1.764 3.593 5.698 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.473 4.964 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.399 4.674 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.937 5.681 4.579 1.00 0.00 H new ATOM 0 HG LEU A 76 1.807 5.973 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.268 7.780 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.088 6.203 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.754 7.380 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.001 8.290 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.520 7.906 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.117 7.088 6.946 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.970 2.150 5.400 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.022 1.133 5.121 1.00 0.00 C ATOM 1160 C LEU A 77 -2.564 0.617 6.457 1.00 0.00 C ATOM 1161 O LEU A 77 -3.756 0.489 6.650 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.424 -0.031 4.307 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.363 0.342 2.809 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.324 -0.537 2.101 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.731 0.125 2.141 1.00 0.00 C ATOM 0 H LEU A 77 -0.011 1.839 5.247 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.830 1.580 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.424 -0.264 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.029 -0.927 4.442 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.086 1.393 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.283 -0.272 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.655 -0.379 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.605 -1.585 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.668 0.393 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.018 -0.922 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.478 0.750 2.630 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.688 0.329 7.382 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.132 -0.171 8.714 1.00 0.00 C ATOM 1179 C GLN A 78 -2.992 0.892 9.405 1.00 0.00 C ATOM 1180 O GLN A 78 -3.966 0.582 10.061 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.898 -0.463 9.576 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.321 -1.236 10.827 1.00 0.00 C ATOM 1183 CD GLN A 78 -1.713 -2.664 10.439 1.00 0.00 C ATOM 1184 OE1 GLN A 78 -2.795 -3.116 10.756 1.00 0.00 O ATOM 1185 NE2 GLN A 78 -0.872 -3.396 9.761 1.00 0.00 N ATOM 0 H GLN A 78 -0.678 0.419 7.271 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.719 -1.080 8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.172 -1.042 9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.410 0.470 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.504 -1.255 11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.161 -0.736 11.310 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.036 -3.015 9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.123 -4.349 9.497 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.638 2.146 9.270 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.444 3.216 9.928 1.00 0.00 C ATOM 1196 C ASN A 79 -4.701 3.493 9.099 1.00 0.00 C ATOM 1197 O ASN A 79 -5.691 3.968 9.618 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.616 4.491 10.095 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.425 5.525 10.880 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.012 6.418 10.304 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.481 5.441 12.182 1.00 0.00 N ATOM 0 H ASN A 79 -1.832 2.472 8.737 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.740 2.878 10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.686 4.268 10.618 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.344 4.891 9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.018 6.126 12.715 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.988 4.691 12.666 1.00 0.00 H new ATOM 1208 N SER A 80 -4.692 3.202 7.828 1.00 0.00 N ATOM 1209 CA SER A 80 -5.923 3.468 7.032 1.00 0.00 C ATOM 1210 C SER A 80 -7.033 2.585 7.604 1.00 0.00 C ATOM 1211 O SER A 80 -8.180 2.976 7.688 1.00 0.00 O ATOM 1212 CB SER A 80 -5.682 3.131 5.561 1.00 0.00 C ATOM 1213 OG SER A 80 -5.436 1.736 5.432 1.00 0.00 O ATOM 0 H SER A 80 -3.906 2.801 7.315 1.00 0.00 H new ATOM 0 HA SER A 80 -6.201 4.520 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.549 3.416 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.833 3.698 5.181 1.00 0.00 H new ATOM 0 HG SER A 80 -4.727 1.470 6.055 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.680 1.387 7.989 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.677 0.430 8.557 1.00 0.00 C ATOM 1221 C VAL A 81 -8.610 1.165 9.528 1.00 0.00 C ATOM 1222 O VAL A 81 -9.817 1.050 9.442 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.942 -0.689 9.304 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.938 -1.783 9.693 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.862 -1.287 8.397 1.00 0.00 C ATOM 0 H VAL A 81 -5.728 1.025 7.933 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.267 0.003 7.746 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.479 -0.280 10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.415 -2.579 10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.708 -1.361 10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.401 -2.190 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.340 -2.082 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.326 -1.695 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.151 -0.510 8.117 1.00 0.00 H new ATOM 1235 N LYS A 82 -8.070 1.913 10.449 1.00 0.00 N ATOM 1236 CA LYS A 82 -8.938 2.645 11.419 1.00 0.00 C ATOM 1237 C LYS A 82 -10.056 3.374 10.657 1.00 0.00 C ATOM 1238 O LYS A 82 -11.101 3.653 11.212 1.00 0.00 O ATOM 1239 CB LYS A 82 -8.076 3.636 12.226 1.00 0.00 C ATOM 1240 CG LYS A 82 -7.621 3.006 13.553 1.00 0.00 C ATOM 1241 CD LYS A 82 -6.614 1.886 13.279 1.00 0.00 C ATOM 1242 CE LYS A 82 -6.156 1.277 14.606 1.00 0.00 C ATOM 1243 NZ LYS A 82 -5.506 2.329 15.438 1.00 0.00 N ATOM 0 H LYS A 82 -7.067 2.050 10.574 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.400 1.944 12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.205 3.929 11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.646 4.543 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.169 3.766 14.190 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.482 2.609 14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.069 1.119 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.757 2.279 12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.008 0.853 15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.457 0.461 14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.908 1.880 16.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.920 2.938 14.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.237 2.905 15.903 1.00 0.00 H new ATOM 1257 N GLN A 83 -9.879 3.657 9.395 1.00 0.00 N ATOM 1258 CA GLN A 83 -10.981 4.327 8.648 1.00 0.00 C ATOM 1259 C GLN A 83 -12.197 3.406 8.705 1.00 0.00 C ATOM 1260 O GLN A 83 -13.312 3.785 8.411 1.00 0.00 O ATOM 1261 CB GLN A 83 -10.564 4.555 7.192 1.00 0.00 C ATOM 1262 CG GLN A 83 -11.614 5.420 6.489 1.00 0.00 C ATOM 1263 CD GLN A 83 -11.106 5.807 5.098 1.00 0.00 C ATOM 1264 OE1 GLN A 83 -9.918 5.795 4.848 1.00 0.00 O ATOM 1265 NE2 GLN A 83 -11.964 6.151 4.176 1.00 0.00 N ATOM 0 H GLN A 83 -9.036 3.458 8.857 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.212 5.296 9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.590 5.043 7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.462 3.599 6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.554 4.875 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.816 6.316 7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.962 6.161 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.636 6.410 3.245 1.00 0.00 H new ATOM 1274 N TYR A 84 -11.957 2.192 9.105 1.00 0.00 N ATOM 1275 CA TYR A 84 -13.056 1.195 9.222 1.00 0.00 C ATOM 1276 C TYR A 84 -14.154 1.788 10.100 1.00 0.00 C ATOM 1277 O TYR A 84 -14.172 1.601 11.300 1.00 0.00 O ATOM 1278 CB TYR A 84 -12.530 -0.092 9.859 1.00 0.00 C ATOM 1279 CG TYR A 84 -13.675 -1.061 10.039 1.00 0.00 C ATOM 1280 CD1 TYR A 84 -14.127 -1.817 8.951 1.00 0.00 C ATOM 1281 CD2 TYR A 84 -14.288 -1.201 11.291 1.00 0.00 C ATOM 1282 CE1 TYR A 84 -15.190 -2.713 9.114 1.00 0.00 C ATOM 1283 CE2 TYR A 84 -15.351 -2.097 11.454 1.00 0.00 C ATOM 1284 CZ TYR A 84 -15.802 -2.853 10.365 1.00 0.00 C ATOM 1285 OH TYR A 84 -16.851 -3.735 10.525 1.00 0.00 O ATOM 0 H TYR A 84 -11.033 1.842 9.360 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.449 0.960 8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.759 -0.535 9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.068 0.127 10.822 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.655 -1.709 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.940 -0.617 12.131 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.538 -3.296 8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.823 -2.205 12.419 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.160 -3.711 11.455 1.00 0.00 H new ATOM 1295 N SER A 85 -15.056 2.521 9.512 1.00 0.00 N ATOM 1296 CA SER A 85 -16.146 3.153 10.309 1.00 0.00 C ATOM 1297 C SER A 85 -15.535 4.255 11.179 1.00 0.00 C ATOM 1298 O SER A 85 -16.177 4.798 12.056 1.00 0.00 O ATOM 1299 CB SER A 85 -16.828 2.097 11.193 1.00 0.00 C ATOM 1300 OG SER A 85 -16.792 0.839 10.532 1.00 0.00 O ATOM 0 H SER A 85 -15.087 2.711 8.510 1.00 0.00 H new ATOM 0 HA SER A 85 -16.896 3.581 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.322 2.030 12.156 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.860 2.386 11.395 1.00 0.00 H new ATOM 0 HG SER A 85 -16.172 0.241 11.000 1.00 0.00 H new ATOM 1306 N GLY A 86 -14.293 4.583 10.941 1.00 0.00 N ATOM 1307 CA GLY A 86 -13.627 5.642 11.748 1.00 0.00 C ATOM 1308 C GLY A 86 -13.106 5.034 13.050 1.00 0.00 C ATOM 1309 O GLY A 86 -13.537 3.979 13.470 1.00 0.00 O ATOM 0 H GLY A 86 -13.710 4.160 10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.804 6.081 11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.330 6.446 11.965 1.00 0.00 H new ATOM 1313 N LYS A 87 -12.180 5.690 13.688 1.00 0.00 N ATOM 1314 CA LYS A 87 -11.629 5.153 14.957 1.00 0.00 C ATOM 1315 C LYS A 87 -12.787 4.919 15.927 1.00 0.00 C ATOM 1316 O LYS A 87 -13.745 5.664 15.958 1.00 0.00 O ATOM 1317 CB LYS A 87 -10.653 6.171 15.570 1.00 0.00 C ATOM 1318 CG LYS A 87 -9.296 6.141 14.839 1.00 0.00 C ATOM 1319 CD LYS A 87 -9.375 6.837 13.464 1.00 0.00 C ATOM 1320 CE LYS A 87 -9.794 8.312 13.612 1.00 0.00 C ATOM 1321 NZ LYS A 87 -9.325 8.844 14.924 1.00 0.00 N ATOM 0 H LYS A 87 -11.781 6.578 13.383 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.099 4.220 14.766 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.080 7.172 15.511 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.506 5.949 16.627 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.541 6.632 15.453 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.977 5.107 14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.406 6.779 12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.090 6.314 12.829 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.372 8.902 12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.878 8.400 13.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.380 9.883 14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.927 8.471 15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.341 8.550 15.086 1.00 0.00 H new ATOM 1335 N PHE A 88 -12.705 3.883 16.713 1.00 0.00 N ATOM 1336 CA PHE A 88 -13.796 3.582 17.681 1.00 0.00 C ATOM 1337 C PHE A 88 -15.137 3.543 16.944 1.00 0.00 C ATOM 1338 O PHE A 88 -15.719 4.564 16.636 1.00 0.00 O ATOM 1339 CB PHE A 88 -13.833 4.665 18.762 1.00 0.00 C ATOM 1340 CG PHE A 88 -12.596 4.560 19.622 1.00 0.00 C ATOM 1341 CD1 PHE A 88 -12.506 3.564 20.601 1.00 0.00 C ATOM 1342 CD2 PHE A 88 -11.538 5.461 19.442 1.00 0.00 C ATOM 1343 CE1 PHE A 88 -11.360 3.467 21.400 1.00 0.00 C ATOM 1344 CE2 PHE A 88 -10.391 5.363 20.241 1.00 0.00 C ATOM 1345 CZ PHE A 88 -10.302 4.366 21.219 1.00 0.00 C ATOM 0 H PHE A 88 -11.924 3.227 16.727 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.612 2.614 18.147 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.886 5.652 18.302 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -14.726 4.551 19.376 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.321 2.869 20.740 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.607 6.231 18.688 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.292 2.699 22.156 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.575 6.057 20.102 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.417 4.290 21.834 1.00 0.00 H new ATOM 1355 N PHE A 89 -15.632 2.369 16.659 1.00 0.00 N ATOM 1356 CA PHE A 89 -16.933 2.261 15.939 1.00 0.00 C ATOM 1357 C PHE A 89 -18.026 2.954 16.756 1.00 0.00 C ATOM 1358 O PHE A 89 -18.657 3.851 16.223 1.00 0.00 O ATOM 1359 CB PHE A 89 -17.293 0.785 15.758 1.00 0.00 C ATOM 1360 CG PHE A 89 -18.548 0.670 14.927 1.00 0.00 C ATOM 1361 CD1 PHE A 89 -19.802 0.862 15.522 1.00 0.00 C ATOM 1362 CD2 PHE A 89 -18.461 0.372 13.562 1.00 0.00 C ATOM 1363 CE1 PHE A 89 -20.965 0.757 14.752 1.00 0.00 C ATOM 1364 CE2 PHE A 89 -19.626 0.267 12.792 1.00 0.00 C ATOM 1365 CZ PHE A 89 -20.878 0.459 13.387 1.00 0.00 C ATOM 1366 OXT PHE A 89 -18.213 2.575 17.901 1.00 0.00 O ATOM 0 H PHE A 89 -15.191 1.480 16.894 1.00 0.00 H new ATOM 0 HA PHE A 89 -16.850 2.739 14.963 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -16.473 0.257 15.272 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -17.443 0.315 16.730 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -19.871 1.091 16.575 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -17.495 0.223 13.103 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -21.931 0.906 15.211 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -19.558 0.038 11.739 1.00 0.00 H new ATOM 0 HZ PHE A 89 -21.777 0.377 12.793 1.00 0.00 H new TER 1376 PHE A 89