USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 73 MET CE :methyl 178:sc=-0.00159 (180deg=-0.00654) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 TYR OH : rot -2:sc= 1.86 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -110:sc= 0.679 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.928 X(o=-0.93,f=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.029) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -175:sc= 0 (180deg=-0.0489) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.806 K(o=0.81,f=-0.52) USER MOD Single : A 61 MET CE :methyl 176:sc=-0.00223 (180deg=-0.0425) USER MOD Single : A 64 GLN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.27! C(o=-3.5!,f=-2.3!) USER MOD Single : A 69 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 71 GLN : amide:sc= 0.952 K(o=0.95,f=-0.098) USER MOD Single : A 72 HIS : no HD1:sc= -0.0043 K(o=-0.0043,f=-2.1!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.515 USER MOD Single : A 88 GLN : amide:sc= 0.529 K(o=0.53,f=-2.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.587 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 79:sc= 1.32 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -169:sc= -0.816 (180deg=-1.22) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.641 K(o=0.64,f=-0.0016) USER MOD Single : A 108 THR OG1 : rot -160:sc= 0.0584 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 15.621 4.845 9.796 1.00 0.00 N ATOM 2 CA GLN A 23 15.722 3.462 9.312 1.00 0.00 C ATOM 3 C GLN A 23 14.420 2.965 8.642 1.00 0.00 C ATOM 4 O GLN A 23 14.112 1.768 8.634 1.00 0.00 O ATOM 5 CB GLN A 23 16.215 2.529 10.437 1.00 0.00 C ATOM 6 CG GLN A 23 17.613 2.900 10.960 1.00 0.00 C ATOM 7 CD GLN A 23 18.129 1.875 11.970 1.00 0.00 C ATOM 8 OE1 GLN A 23 18.037 2.047 13.180 1.00 0.00 O ATOM 9 NE2 GLN A 23 18.684 0.764 11.524 1.00 0.00 N ATOM 0 HA GLN A 23 16.470 3.443 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 23 15.505 2.559 11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.232 1.503 10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 23 18.308 2.968 10.123 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.578 3.885 11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.769 0.604 10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.028 0.066 12.183 1.00 0.00 H new ATOM 18 N ILE A 24 13.644 3.891 8.069 1.00 0.00 N ATOM 19 CA ILE A 24 12.419 3.602 7.308 1.00 0.00 C ATOM 20 C ILE A 24 12.699 2.884 5.977 1.00 0.00 C ATOM 21 O ILE A 24 13.796 2.965 5.423 1.00 0.00 O ATOM 22 CB ILE A 24 11.572 4.871 7.082 1.00 0.00 C ATOM 23 CG1 ILE A 24 12.369 6.071 6.499 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.844 5.260 8.378 1.00 0.00 C ATOM 25 CD1 ILE A 24 11.530 7.330 6.202 1.00 0.00 C ATOM 0 H ILE A 24 13.854 4.888 8.122 1.00 0.00 H new ATOM 0 HA ILE A 24 11.839 2.914 7.924 1.00 0.00 H new ATOM 0 HB ILE A 24 10.839 4.619 6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.160 6.337 7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.855 5.751 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.249 6.157 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.190 4.445 8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.576 5.455 9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.175 8.111 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.756 7.088 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.065 7.683 7.123 1.00 0.00 H new ATOM 37 N ASN A 25 11.681 2.205 5.427 1.00 0.00 N ATOM 38 CA ASN A 25 11.796 1.331 4.245 1.00 0.00 C ATOM 39 C ASN A 25 11.750 2.077 2.888 1.00 0.00 C ATOM 40 O ASN A 25 11.226 1.590 1.887 1.00 0.00 O ATOM 41 CB ASN A 25 10.777 0.175 4.377 1.00 0.00 C ATOM 42 CG ASN A 25 11.332 -1.029 5.126 1.00 0.00 C ATOM 43 OD1 ASN A 25 11.399 -2.137 4.610 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.760 -0.863 6.358 1.00 0.00 N ATOM 0 H ASN A 25 10.732 2.248 5.799 1.00 0.00 H new ATOM 0 HA ASN A 25 12.799 0.904 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.889 0.539 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.461 -0.138 3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.144 -1.654 6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.708 0.057 6.796 1.00 0.00 H new ATOM 51 N GLN A 26 12.271 3.301 2.873 1.00 0.00 N ATOM 52 CA GLN A 26 12.160 4.318 1.818 1.00 0.00 C ATOM 53 C GLN A 26 13.536 4.904 1.430 1.00 0.00 C ATOM 54 O GLN A 26 14.577 4.455 1.915 1.00 0.00 O ATOM 55 CB GLN A 26 11.136 5.407 2.221 1.00 0.00 C ATOM 56 CG GLN A 26 10.301 5.250 3.510 1.00 0.00 C ATOM 57 CD GLN A 26 9.295 4.096 3.627 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.821 3.787 4.711 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.938 3.385 2.580 1.00 0.00 N ATOM 0 H GLN A 26 12.827 3.639 3.658 1.00 0.00 H new ATOM 0 HA GLN A 26 11.783 3.834 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.680 6.348 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.435 5.514 1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.000 5.159 4.342 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.750 6.179 3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.312 3.611 1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.287 2.607 2.690 1.00 0.00 H new ATOM 68 N VAL A 27 13.545 5.883 0.516 1.00 0.00 N ATOM 69 CA VAL A 27 14.771 6.484 -0.051 1.00 0.00 C ATOM 70 C VAL A 27 15.318 7.552 0.915 1.00 0.00 C ATOM 71 O VAL A 27 14.717 7.812 1.957 1.00 0.00 O ATOM 72 CB VAL A 27 14.504 7.087 -1.458 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.788 7.312 -2.276 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.570 6.212 -2.303 1.00 0.00 C ATOM 0 H VAL A 27 12.689 6.290 0.140 1.00 0.00 H new ATOM 0 HA VAL A 27 15.520 5.702 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 27 14.034 8.048 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.531 7.735 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.443 8.001 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.300 6.360 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.416 6.678 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.018 5.228 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.611 6.107 -1.795 1.00 0.00 H new ATOM 84 N ARG A 28 16.515 8.078 0.619 1.00 0.00 N ATOM 85 CA ARG A 28 17.234 9.199 1.268 1.00 0.00 C ATOM 86 C ARG A 28 18.326 9.682 0.279 1.00 0.00 C ATOM 87 O ARG A 28 18.985 8.832 -0.322 1.00 0.00 O ATOM 88 CB ARG A 28 17.837 8.661 2.595 1.00 0.00 C ATOM 89 CG ARG A 28 18.474 9.623 3.615 1.00 0.00 C ATOM 90 CD ARG A 28 19.718 10.396 3.163 1.00 0.00 C ATOM 91 NE ARG A 28 20.572 10.765 4.310 1.00 0.00 N ATOM 92 CZ ARG A 28 21.767 11.331 4.262 1.00 0.00 C ATOM 93 NH1 ARG A 28 22.326 11.699 3.144 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.434 11.542 5.360 1.00 0.00 N ATOM 0 H ARG A 28 17.062 7.698 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 28 16.586 10.043 1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.043 8.123 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.597 7.927 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.717 10.347 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.737 9.049 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.291 9.788 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.414 11.297 2.630 1.00 0.00 H new ATOM 0 HE ARG A 28 20.201 10.562 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.840 11.554 2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 28 23.249 12.132 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.035 11.271 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 28 23.355 11.978 5.321 1.00 0.00 H new ATOM 108 N PRO A 29 18.521 11.000 0.071 1.00 0.00 N ATOM 109 CA PRO A 29 19.360 11.523 -1.016 1.00 0.00 C ATOM 110 C PRO A 29 20.822 11.811 -0.642 1.00 0.00 C ATOM 111 O PRO A 29 21.225 11.749 0.522 1.00 0.00 O ATOM 112 CB PRO A 29 18.661 12.832 -1.414 1.00 0.00 C ATOM 113 CG PRO A 29 18.211 13.364 -0.059 1.00 0.00 C ATOM 114 CD PRO A 29 17.748 12.091 0.651 1.00 0.00 C ATOM 0 HA PRO A 29 19.441 10.777 -1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.338 13.520 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.820 12.660 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 29 19.024 13.856 0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.406 14.093 -0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.918 12.160 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.679 11.931 0.507 1.00 0.00 H new ATOM 122 N LYS A 30 21.580 12.200 -1.674 1.00 0.00 N ATOM 123 CA LYS A 30 22.929 12.790 -1.636 1.00 0.00 C ATOM 124 C LYS A 30 22.797 14.281 -1.999 1.00 0.00 C ATOM 125 O LYS A 30 21.810 14.660 -2.629 1.00 0.00 O ATOM 126 CB LYS A 30 23.831 11.992 -2.602 1.00 0.00 C ATOM 127 CG LYS A 30 25.329 12.304 -2.456 1.00 0.00 C ATOM 128 CD LYS A 30 26.159 11.539 -3.496 1.00 0.00 C ATOM 129 CE LYS A 30 27.638 11.930 -3.370 1.00 0.00 C ATOM 130 NZ LYS A 30 28.485 11.202 -4.354 1.00 0.00 N ATOM 0 H LYS A 30 21.243 12.104 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 30 23.392 12.734 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.674 10.927 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.524 12.202 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.493 13.375 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.663 12.038 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.043 10.465 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 30 25.798 11.764 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.745 13.004 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.987 11.715 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.477 11.492 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.402 10.178 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.168 11.427 -5.319 1.00 0.00 H new ATOM 144 N LEU A 31 23.778 15.119 -1.665 1.00 0.00 N ATOM 145 CA LEU A 31 23.776 16.582 -1.849 1.00 0.00 C ATOM 146 C LEU A 31 23.166 17.096 -3.184 1.00 0.00 C ATOM 147 O LEU A 31 22.207 17.869 -3.119 1.00 0.00 O ATOM 148 CB LEU A 31 25.222 17.063 -1.593 1.00 0.00 C ATOM 149 CG LEU A 31 25.489 18.550 -1.875 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.655 19.475 -0.986 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.967 18.866 -1.647 1.00 0.00 C ATOM 0 H LEU A 31 24.642 14.786 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 31 23.087 17.025 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.475 16.858 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.897 16.468 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 31 25.207 18.728 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.883 20.513 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.595 19.287 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.892 19.285 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 31 27.149 19.922 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 31 27.231 18.643 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 31 27.576 18.259 -2.316 1.00 0.00 H new ATOM 163 N PRO A 32 23.621 16.671 -4.385 1.00 0.00 N ATOM 164 CA PRO A 32 23.053 17.152 -5.654 1.00 0.00 C ATOM 165 C PRO A 32 21.630 16.641 -5.919 1.00 0.00 C ATOM 166 O PRO A 32 20.862 17.304 -6.611 1.00 0.00 O ATOM 167 CB PRO A 32 24.028 16.678 -6.735 1.00 0.00 C ATOM 168 CG PRO A 32 24.651 15.422 -6.134 1.00 0.00 C ATOM 169 CD PRO A 32 24.749 15.785 -4.655 1.00 0.00 C ATOM 0 HA PRO A 32 22.946 18.237 -5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.514 16.461 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.782 17.434 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.029 14.542 -6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.628 15.206 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.703 14.893 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.695 16.280 -4.436 1.00 0.00 H new ATOM 177 N LEU A 33 21.241 15.498 -5.344 1.00 0.00 N ATOM 178 CA LEU A 33 19.896 14.931 -5.501 1.00 0.00 C ATOM 179 C LEU A 33 18.880 15.616 -4.568 1.00 0.00 C ATOM 180 O LEU A 33 17.752 15.894 -4.972 1.00 0.00 O ATOM 181 CB LEU A 33 19.947 13.403 -5.326 1.00 0.00 C ATOM 182 CG LEU A 33 21.014 12.665 -6.165 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.818 11.155 -6.031 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.992 13.029 -7.653 1.00 0.00 C ATOM 0 H LEU A 33 21.854 14.936 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 33 19.542 15.129 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.124 13.183 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.968 12.995 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 33 21.980 12.981 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.572 10.636 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.917 10.867 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.825 10.884 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.769 12.471 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.019 12.778 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.172 14.098 -7.769 1.00 0.00 H new ATOM 196 N LEU A 34 19.309 16.001 -3.357 1.00 0.00 N ATOM 197 CA LEU A 34 18.530 16.859 -2.449 1.00 0.00 C ATOM 198 C LEU A 34 18.286 18.240 -3.074 1.00 0.00 C ATOM 199 O LEU A 34 17.213 18.806 -2.891 1.00 0.00 O ATOM 200 CB LEU A 34 19.264 16.928 -1.093 1.00 0.00 C ATOM 201 CG LEU A 34 18.619 17.803 0.015 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.967 17.229 1.390 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.166 19.233 -0.018 1.00 0.00 C ATOM 0 H LEU A 34 20.214 15.724 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 34 17.540 16.436 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.361 15.913 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.273 17.299 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 34 17.543 17.808 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.513 17.845 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.587 16.210 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.049 17.223 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.695 19.821 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.244 19.214 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.948 19.684 -0.986 1.00 0.00 H new ATOM 215 N LYS A 35 19.231 18.743 -3.880 1.00 0.00 N ATOM 216 CA LYS A 35 19.127 20.023 -4.608 1.00 0.00 C ATOM 217 C LYS A 35 17.928 20.066 -5.565 1.00 0.00 C ATOM 218 O LYS A 35 17.215 21.065 -5.625 1.00 0.00 O ATOM 219 CB LYS A 35 20.444 20.256 -5.378 1.00 0.00 C ATOM 220 CG LYS A 35 20.871 21.725 -5.459 1.00 0.00 C ATOM 221 CD LYS A 35 21.330 22.257 -4.088 1.00 0.00 C ATOM 222 CE LYS A 35 22.259 23.472 -4.219 1.00 0.00 C ATOM 223 NZ LYS A 35 21.562 24.680 -4.745 1.00 0.00 N ATOM 0 H LYS A 35 20.114 18.261 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 35 18.962 20.818 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.238 19.684 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.335 19.864 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.681 21.830 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.039 22.327 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.457 22.531 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.846 21.464 -3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.688 23.702 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.088 23.220 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.237 25.468 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.175 24.474 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.787 24.941 -4.102 1.00 0.00 H new ATOM 237 N ILE A 36 17.668 18.953 -6.256 1.00 0.00 N ATOM 238 CA ILE A 36 16.548 18.781 -7.202 1.00 0.00 C ATOM 239 C ILE A 36 15.214 18.844 -6.451 1.00 0.00 C ATOM 240 O ILE A 36 14.301 19.568 -6.840 1.00 0.00 O ATOM 241 CB ILE A 36 16.688 17.434 -7.953 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.037 17.361 -8.699 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.539 17.205 -8.953 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.419 15.936 -9.108 1.00 0.00 C ATOM 0 H ILE A 36 18.246 18.117 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 36 16.572 19.588 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 36 16.644 16.649 -7.198 1.00 0.00 H new ATOM 0 HG12 ILE A 36 17.988 17.988 -9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.820 17.773 -8.063 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.680 16.248 -9.456 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.588 17.198 -8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.535 18.006 -9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.377 15.951 -9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.499 15.311 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.653 15.530 -9.769 1.00 0.00 H new ATOM 256 N LEU A 37 15.122 18.135 -5.324 1.00 0.00 N ATOM 257 CA LEU A 37 13.935 18.145 -4.469 1.00 0.00 C ATOM 258 C LEU A 37 13.758 19.490 -3.731 1.00 0.00 C ATOM 259 O LEU A 37 12.631 19.937 -3.552 1.00 0.00 O ATOM 260 CB LEU A 37 13.957 16.886 -3.575 1.00 0.00 C ATOM 261 CG LEU A 37 13.217 15.653 -4.143 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.704 15.847 -4.198 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.679 15.208 -5.529 1.00 0.00 C ATOM 0 H LEU A 37 15.872 17.536 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 37 13.029 18.083 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.995 16.611 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.517 17.139 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 37 13.477 14.870 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.237 14.950 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.324 16.030 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.469 16.699 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.103 14.338 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.527 16.019 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.737 14.949 -5.494 1.00 0.00 H new ATOM 275 N HIS A 38 14.828 20.215 -3.392 1.00 0.00 N ATOM 276 CA HIS A 38 14.737 21.601 -2.893 1.00 0.00 C ATOM 277 C HIS A 38 14.219 22.570 -3.965 1.00 0.00 C ATOM 278 O HIS A 38 13.391 23.427 -3.653 1.00 0.00 O ATOM 279 CB HIS A 38 16.093 22.060 -2.330 1.00 0.00 C ATOM 280 CG HIS A 38 16.308 21.740 -0.868 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.146 22.467 -0.017 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.670 20.773 -0.139 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.995 21.927 1.204 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.120 20.908 1.160 1.00 0.00 N ATOM 0 H HIS A 38 15.783 19.863 -3.454 1.00 0.00 H new ATOM 0 HA HIS A 38 14.006 21.612 -2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.889 21.595 -2.911 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.184 23.137 -2.470 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.957 20.049 -0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.505 22.264 2.095 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.836 20.332 1.952 1.00 0.00 H new ATOM 292 N ALA A 39 14.599 22.393 -5.237 1.00 0.00 N ATOM 293 CA ALA A 39 13.987 23.123 -6.356 1.00 0.00 C ATOM 294 C ALA A 39 12.494 22.757 -6.541 1.00 0.00 C ATOM 295 O ALA A 39 11.710 23.570 -7.036 1.00 0.00 O ATOM 296 CB ALA A 39 14.800 22.869 -7.632 1.00 0.00 C ATOM 0 H ALA A 39 15.334 21.744 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 39 14.008 24.189 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.349 23.409 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.823 23.216 -7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.806 21.802 -7.853 1.00 0.00 H new ATOM 302 N ALA A 40 12.086 21.567 -6.078 1.00 0.00 N ATOM 303 CA ALA A 40 10.694 21.126 -5.967 1.00 0.00 C ATOM 304 C ALA A 40 9.982 21.580 -4.668 1.00 0.00 C ATOM 305 O ALA A 40 8.854 21.155 -4.417 1.00 0.00 O ATOM 306 CB ALA A 40 10.652 19.597 -6.101 1.00 0.00 C ATOM 0 H ALA A 40 12.746 20.858 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 40 10.140 21.606 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.621 19.253 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.057 19.305 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.248 19.146 -5.308 1.00 0.00 H new ATOM 312 N GLY A 41 10.621 22.394 -3.815 1.00 0.00 N ATOM 313 CA GLY A 41 10.061 22.873 -2.541 1.00 0.00 C ATOM 314 C GLY A 41 9.983 21.822 -1.418 1.00 0.00 C ATOM 315 O GLY A 41 9.241 22.013 -0.451 1.00 0.00 O ATOM 0 H GLY A 41 11.561 22.746 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.664 23.711 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.058 23.258 -2.726 1.00 0.00 H new ATOM 319 N ALA A 42 10.708 20.707 -1.549 1.00 0.00 N ATOM 320 CA ALA A 42 10.684 19.557 -0.645 1.00 0.00 C ATOM 321 C ALA A 42 11.751 19.643 0.477 1.00 0.00 C ATOM 322 O ALA A 42 12.325 20.703 0.739 1.00 0.00 O ATOM 323 CB ALA A 42 10.921 18.322 -1.519 1.00 0.00 C ATOM 0 H ALA A 42 11.357 20.577 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 42 9.726 19.518 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.914 17.428 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.132 18.249 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.887 18.409 -2.017 1.00 0.00 H new ATOM 329 N GLN A 43 12.070 18.495 1.095 1.00 0.00 N ATOM 330 CA GLN A 43 13.173 18.313 2.055 1.00 0.00 C ATOM 331 C GLN A 43 13.938 17.002 1.798 1.00 0.00 C ATOM 332 O GLN A 43 13.883 16.041 2.566 1.00 0.00 O ATOM 333 CB GLN A 43 12.651 18.482 3.499 1.00 0.00 C ATOM 334 CG GLN A 43 11.411 17.633 3.857 1.00 0.00 C ATOM 335 CD GLN A 43 10.959 17.785 5.313 1.00 0.00 C ATOM 336 OE1 GLN A 43 11.542 18.489 6.130 1.00 0.00 O ATOM 337 NE2 GLN A 43 9.887 17.125 5.701 1.00 0.00 N ATOM 0 H GLN A 43 11.547 17.634 0.934 1.00 0.00 H new ATOM 0 HA GLN A 43 13.918 19.095 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.455 18.230 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.410 19.533 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.588 17.913 3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.632 16.584 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.385 16.533 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.559 17.206 6.663 1.00 0.00 H new ATOM 346 N GLY A 44 14.655 16.968 0.670 1.00 0.00 N ATOM 347 CA GLY A 44 15.405 15.799 0.213 1.00 0.00 C ATOM 348 C GLY A 44 14.511 14.720 -0.397 1.00 0.00 C ATOM 349 O GLY A 44 13.522 15.033 -1.036 1.00 0.00 O ATOM 0 H GLY A 44 14.730 17.767 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.143 16.113 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.955 15.376 1.053 1.00 0.00 H new ATOM 353 N GLU A 45 14.883 13.454 -0.207 1.00 0.00 N ATOM 354 CA GLU A 45 14.172 12.236 -0.652 1.00 0.00 C ATOM 355 C GLU A 45 13.986 11.227 0.489 1.00 0.00 C ATOM 356 O GLU A 45 13.794 10.043 0.242 1.00 0.00 O ATOM 357 CB GLU A 45 14.865 11.580 -1.866 1.00 0.00 C ATOM 358 CG GLU A 45 14.852 12.435 -3.131 1.00 0.00 C ATOM 359 CD GLU A 45 15.470 11.647 -4.303 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.719 11.601 -4.411 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.705 11.058 -5.105 1.00 0.00 O ATOM 0 H GLU A 45 15.743 13.228 0.293 1.00 0.00 H new ATOM 0 HA GLU A 45 13.179 12.554 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.899 11.356 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.377 10.629 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.830 12.724 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.412 13.355 -2.964 1.00 0.00 H new ATOM 368 N MET A 46 14.096 11.668 1.748 1.00 0.00 N ATOM 369 CA MET A 46 14.102 10.810 2.944 1.00 0.00 C ATOM 370 C MET A 46 12.682 10.369 3.358 1.00 0.00 C ATOM 371 O MET A 46 12.221 10.597 4.478 1.00 0.00 O ATOM 372 CB MET A 46 14.978 11.468 4.011 1.00 0.00 C ATOM 373 CG MET A 46 15.216 10.604 5.258 1.00 0.00 C ATOM 374 SD MET A 46 16.423 11.307 6.415 1.00 0.00 S ATOM 375 CE MET A 46 16.414 10.008 7.682 1.00 0.00 C ATOM 0 H MET A 46 14.186 12.659 1.971 1.00 0.00 H new ATOM 0 HA MET A 46 14.568 9.846 2.741 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.942 11.719 3.568 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.514 12.406 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.268 10.463 5.777 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.558 9.617 4.945 1.00 0.00 H new ATOM 0 HE1 MET A 46 17.106 10.274 8.481 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.409 9.906 8.092 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.721 9.062 7.236 1.00 0.00 H new ATOM 385 N PHE A 47 11.963 9.804 2.384 1.00 0.00 N ATOM 386 CA PHE A 47 10.526 9.487 2.430 1.00 0.00 C ATOM 387 C PHE A 47 10.047 8.544 1.296 1.00 0.00 C ATOM 388 O PHE A 47 10.813 8.134 0.423 1.00 0.00 O ATOM 389 CB PHE A 47 9.740 10.809 2.470 1.00 0.00 C ATOM 390 CG PHE A 47 10.188 11.864 1.476 1.00 0.00 C ATOM 391 CD1 PHE A 47 10.021 11.633 0.102 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.774 13.069 1.915 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.366 12.625 -0.823 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.158 14.044 0.981 1.00 0.00 C ATOM 395 CZ PHE A 47 10.923 13.833 -0.386 1.00 0.00 C ATOM 0 H PHE A 47 12.386 9.540 1.494 1.00 0.00 H new ATOM 0 HA PHE A 47 10.334 8.913 3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.687 10.591 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.814 11.226 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.626 10.689 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.927 13.242 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.202 12.458 -1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.633 14.955 1.314 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.172 14.603 -1.102 1.00 0.00 H new ATOM 405 N THR A 48 8.765 8.162 1.351 1.00 0.00 N ATOM 406 CA THR A 48 8.092 7.117 0.540 1.00 0.00 C ATOM 407 C THR A 48 7.731 7.557 -0.890 1.00 0.00 C ATOM 408 O THR A 48 7.772 8.738 -1.241 1.00 0.00 O ATOM 409 CB THR A 48 6.839 6.610 1.307 1.00 0.00 C ATOM 410 OG1 THR A 48 7.106 6.595 2.696 1.00 0.00 O ATOM 411 CG2 THR A 48 6.381 5.190 0.954 1.00 0.00 C ATOM 0 H THR A 48 8.118 8.600 2.006 1.00 0.00 H new ATOM 0 HA THR A 48 8.809 6.307 0.405 1.00 0.00 H new ATOM 0 HB THR A 48 6.050 7.302 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.314 6.277 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.501 4.934 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.134 5.141 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.182 4.484 1.173 1.00 0.00 H new ATOM 419 N VAL A 49 7.311 6.583 -1.712 1.00 0.00 N ATOM 420 CA VAL A 49 6.941 6.723 -3.142 1.00 0.00 C ATOM 421 C VAL A 49 5.901 7.831 -3.355 1.00 0.00 C ATOM 422 O VAL A 49 6.040 8.674 -4.242 1.00 0.00 O ATOM 423 CB VAL A 49 6.411 5.379 -3.703 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.053 5.466 -5.192 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.424 4.241 -3.509 1.00 0.00 C ATOM 0 H VAL A 49 7.213 5.622 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 49 7.844 7.004 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 49 5.506 5.163 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.687 4.498 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.278 6.219 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.939 5.742 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.015 3.316 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.351 4.486 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.627 4.112 -2.446 1.00 0.00 H new ATOM 435 N LYS A 50 4.897 7.884 -2.475 1.00 0.00 N ATOM 436 CA LYS A 50 3.831 8.897 -2.526 1.00 0.00 C ATOM 437 C LYS A 50 4.320 10.323 -2.262 1.00 0.00 C ATOM 438 O LYS A 50 3.770 11.271 -2.817 1.00 0.00 O ATOM 439 CB LYS A 50 2.658 8.493 -1.610 1.00 0.00 C ATOM 440 CG LYS A 50 3.051 8.371 -0.126 1.00 0.00 C ATOM 441 CD LYS A 50 1.852 8.006 0.757 1.00 0.00 C ATOM 442 CE LYS A 50 2.323 7.817 2.206 1.00 0.00 C ATOM 443 NZ LYS A 50 1.180 7.567 3.128 1.00 0.00 N ATOM 0 H LYS A 50 4.798 7.225 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 50 3.468 8.921 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.861 9.230 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.254 7.540 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.826 7.612 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.478 9.314 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.098 8.792 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.384 7.091 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.021 6.981 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.866 8.705 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.536 7.444 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.527 8.376 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.677 6.706 2.832 1.00 0.00 H new ATOM 457 N GLU A 51 5.373 10.475 -1.459 1.00 0.00 N ATOM 458 CA GLU A 51 5.989 11.772 -1.179 1.00 0.00 C ATOM 459 C GLU A 51 6.927 12.195 -2.321 1.00 0.00 C ATOM 460 O GLU A 51 6.758 13.295 -2.843 1.00 0.00 O ATOM 461 CB GLU A 51 6.678 11.741 0.196 1.00 0.00 C ATOM 462 CG GLU A 51 5.728 11.480 1.374 1.00 0.00 C ATOM 463 CD GLU A 51 4.623 12.549 1.500 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.873 13.620 2.105 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.488 12.316 1.021 1.00 0.00 O ATOM 0 H GLU A 51 5.826 9.696 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 51 5.216 12.539 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.447 10.968 0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.184 12.693 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.267 10.500 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.304 11.449 2.299 1.00 0.00 H new ATOM 472 N VAL A 52 7.829 11.325 -2.814 1.00 0.00 N ATOM 473 CA VAL A 52 8.663 11.663 -4.004 1.00 0.00 C ATOM 474 C VAL A 52 7.825 12.069 -5.215 1.00 0.00 C ATOM 475 O VAL A 52 8.111 13.079 -5.856 1.00 0.00 O ATOM 476 CB VAL A 52 9.625 10.549 -4.430 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.763 10.328 -3.430 1.00 0.00 C ATOM 478 CG2 VAL A 52 8.993 9.186 -4.653 1.00 0.00 C ATOM 0 H VAL A 52 8.004 10.399 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 52 9.256 12.513 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 52 9.990 10.931 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.410 9.527 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.343 11.246 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.347 10.054 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.762 8.473 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.522 8.848 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.241 9.258 -5.439 1.00 0.00 H new ATOM 488 N MET A 53 6.767 11.312 -5.510 1.00 0.00 N ATOM 489 CA MET A 53 5.910 11.580 -6.676 1.00 0.00 C ATOM 490 C MET A 53 5.046 12.850 -6.518 1.00 0.00 C ATOM 491 O MET A 53 4.712 13.490 -7.515 1.00 0.00 O ATOM 492 CB MET A 53 5.095 10.333 -7.050 1.00 0.00 C ATOM 493 CG MET A 53 3.840 10.126 -6.197 1.00 0.00 C ATOM 494 SD MET A 53 2.996 8.540 -6.454 1.00 0.00 S ATOM 495 CE MET A 53 2.424 8.735 -8.166 1.00 0.00 C ATOM 0 H MET A 53 6.479 10.504 -4.958 1.00 0.00 H new ATOM 0 HA MET A 53 6.566 11.802 -7.518 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.801 10.405 -8.097 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.733 9.454 -6.957 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.115 10.209 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.138 10.933 -6.407 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.809 7.879 -8.444 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.834 9.648 -8.251 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.284 8.796 -8.832 1.00 0.00 H new ATOM 505 N HIS A 54 4.739 13.254 -5.277 1.00 0.00 N ATOM 506 CA HIS A 54 4.074 14.524 -4.949 1.00 0.00 C ATOM 507 C HIS A 54 4.974 15.719 -5.310 1.00 0.00 C ATOM 508 O HIS A 54 4.625 16.516 -6.186 1.00 0.00 O ATOM 509 CB HIS A 54 3.672 14.512 -3.459 1.00 0.00 C ATOM 510 CG HIS A 54 3.609 15.877 -2.823 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.869 16.964 -3.296 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.416 16.296 -1.804 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.259 18.014 -2.553 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.171 17.640 -1.641 1.00 0.00 N ATOM 0 H HIS A 54 4.952 12.693 -4.452 1.00 0.00 H new ATOM 0 HA HIS A 54 3.166 14.635 -5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.698 14.033 -3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.385 13.899 -2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.109 15.692 -1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.889 19.022 -2.673 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.607 18.247 -0.947 1.00 0.00 H new ATOM 522 N TYR A 55 6.169 15.798 -4.712 1.00 0.00 N ATOM 523 CA TYR A 55 7.182 16.806 -5.034 1.00 0.00 C ATOM 524 C TYR A 55 7.561 16.817 -6.525 1.00 0.00 C ATOM 525 O TYR A 55 7.681 17.889 -7.116 1.00 0.00 O ATOM 526 CB TYR A 55 8.425 16.571 -4.171 1.00 0.00 C ATOM 527 CG TYR A 55 8.180 16.608 -2.673 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.698 17.782 -2.065 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.462 15.479 -1.884 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.484 17.833 -0.674 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.229 15.518 -0.494 1.00 0.00 C ATOM 532 CZ TYR A 55 7.749 16.695 0.118 1.00 0.00 C ATOM 533 OH TYR A 55 7.562 16.732 1.467 1.00 0.00 O ATOM 0 H TYR A 55 6.462 15.152 -3.979 1.00 0.00 H new ATOM 0 HA TYR A 55 6.752 17.784 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.852 15.602 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.171 17.325 -4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.490 18.652 -2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.856 14.584 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.118 18.740 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.419 14.641 0.106 1.00 0.00 H new ATOM 0 HH TYR A 55 7.792 15.861 1.853 1.00 0.00 H new ATOM 543 N LEU A 56 7.683 15.651 -7.169 1.00 0.00 N ATOM 544 CA LEU A 56 7.938 15.551 -8.610 1.00 0.00 C ATOM 545 C LEU A 56 6.850 16.234 -9.460 1.00 0.00 C ATOM 546 O LEU A 56 7.189 16.967 -10.387 1.00 0.00 O ATOM 547 CB LEU A 56 8.102 14.067 -8.980 1.00 0.00 C ATOM 548 CG LEU A 56 8.326 13.801 -10.478 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.557 14.521 -11.022 1.00 0.00 C ATOM 550 CD2 LEU A 56 8.512 12.305 -10.707 1.00 0.00 C ATOM 0 H LEU A 56 7.607 14.747 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 56 8.858 16.090 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.944 13.658 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.213 13.525 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 56 7.448 14.178 -11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.669 14.299 -12.083 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.439 15.596 -10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.443 14.183 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.671 12.116 -11.769 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.377 11.955 -10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.622 11.772 -10.373 1.00 0.00 H new ATOM 562 N GLY A 57 5.564 16.064 -9.135 1.00 0.00 N ATOM 563 CA GLY A 57 4.464 16.739 -9.840 1.00 0.00 C ATOM 564 C GLY A 57 4.616 18.266 -9.845 1.00 0.00 C ATOM 565 O GLY A 57 4.558 18.902 -10.901 1.00 0.00 O ATOM 0 H GLY A 57 5.254 15.456 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.421 16.378 -10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.518 16.473 -9.369 1.00 0.00 H new ATOM 569 N GLN A 58 4.922 18.856 -8.684 1.00 0.00 N ATOM 570 CA GLN A 58 5.188 20.296 -8.573 1.00 0.00 C ATOM 571 C GLN A 58 6.536 20.717 -9.192 1.00 0.00 C ATOM 572 O GLN A 58 6.598 21.797 -9.772 1.00 0.00 O ATOM 573 CB GLN A 58 4.918 20.820 -7.149 1.00 0.00 C ATOM 574 CG GLN A 58 5.759 20.187 -6.032 1.00 0.00 C ATOM 575 CD GLN A 58 5.310 20.588 -4.621 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.145 20.844 -4.341 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.209 20.623 -3.660 1.00 0.00 N ATOM 0 H GLN A 58 4.992 18.353 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 58 4.461 20.812 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.089 21.897 -7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.864 20.662 -6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.712 19.102 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.802 20.474 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.186 20.414 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.929 20.859 -2.708 1.00 0.00 H new ATOM 586 N TYR A 59 7.583 19.878 -9.185 1.00 0.00 N ATOM 587 CA TYR A 59 8.818 20.139 -9.952 1.00 0.00 C ATOM 588 C TYR A 59 8.524 20.269 -11.452 1.00 0.00 C ATOM 589 O TYR A 59 8.872 21.280 -12.053 1.00 0.00 O ATOM 590 CB TYR A 59 9.858 19.033 -9.727 1.00 0.00 C ATOM 591 CG TYR A 59 11.208 19.264 -10.396 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.443 18.801 -11.707 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.253 19.897 -9.693 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.729 18.893 -12.279 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.544 19.963 -10.250 1.00 0.00 C ATOM 596 CZ TYR A 59 13.794 19.438 -11.533 1.00 0.00 C ATOM 597 OH TYR A 59 15.054 19.504 -12.040 1.00 0.00 O ATOM 0 H TYR A 59 7.602 19.007 -8.654 1.00 0.00 H new ATOM 0 HA TYR A 59 9.225 21.083 -9.590 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.017 18.919 -8.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.447 18.091 -10.090 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.632 18.373 -12.277 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.062 20.333 -8.723 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.898 18.546 -13.288 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.347 20.419 -9.690 1.00 0.00 H new ATOM 0 HH TYR A 59 15.069 19.100 -12.933 1.00 0.00 H new ATOM 607 N ILE A 60 7.820 19.297 -12.046 1.00 0.00 N ATOM 608 CA ILE A 60 7.389 19.328 -13.458 1.00 0.00 C ATOM 609 C ILE A 60 6.560 20.590 -13.728 1.00 0.00 C ATOM 610 O ILE A 60 6.780 21.268 -14.729 1.00 0.00 O ATOM 611 CB ILE A 60 6.568 18.059 -13.787 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.398 16.766 -13.642 1.00 0.00 C ATOM 613 CG2 ILE A 60 5.978 18.134 -15.208 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.491 15.548 -13.419 1.00 0.00 C ATOM 0 H ILE A 60 7.527 18.452 -11.555 1.00 0.00 H new ATOM 0 HA ILE A 60 8.270 19.349 -14.100 1.00 0.00 H new ATOM 0 HB ILE A 60 5.758 18.022 -13.059 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.001 16.615 -14.537 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.089 16.866 -12.805 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.406 17.229 -15.413 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.324 19.002 -15.285 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.787 18.224 -15.933 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.103 14.652 -13.320 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.907 15.691 -12.510 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.817 15.436 -14.269 1.00 0.00 H new ATOM 626 N MET A 61 5.643 20.943 -12.822 1.00 0.00 N ATOM 627 CA MET A 61 4.792 22.129 -12.967 1.00 0.00 C ATOM 628 C MET A 61 5.569 23.461 -12.875 1.00 0.00 C ATOM 629 O MET A 61 5.235 24.414 -13.579 1.00 0.00 O ATOM 630 CB MET A 61 3.653 22.029 -11.942 1.00 0.00 C ATOM 631 CG MET A 61 2.501 23.005 -12.215 1.00 0.00 C ATOM 632 SD MET A 61 1.736 22.926 -13.866 1.00 0.00 S ATOM 633 CE MET A 61 1.238 21.182 -13.948 1.00 0.00 C ATOM 0 H MET A 61 5.469 20.415 -11.967 1.00 0.00 H new ATOM 0 HA MET A 61 4.376 22.143 -13.974 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.264 21.011 -11.940 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.053 22.219 -10.946 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.724 22.830 -11.471 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.870 24.019 -12.059 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.692 21.003 -14.874 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.125 20.549 -13.921 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.598 20.946 -13.098 1.00 0.00 H new ATOM 643 N VAL A 62 6.646 23.524 -12.078 1.00 0.00 N ATOM 644 CA VAL A 62 7.563 24.682 -11.990 1.00 0.00 C ATOM 645 C VAL A 62 8.490 24.756 -13.207 1.00 0.00 C ATOM 646 O VAL A 62 8.543 25.792 -13.876 1.00 0.00 O ATOM 647 CB VAL A 62 8.347 24.661 -10.665 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.508 25.663 -10.609 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.418 24.983 -9.489 1.00 0.00 C ATOM 0 H VAL A 62 6.914 22.757 -11.461 1.00 0.00 H new ATOM 0 HA VAL A 62 6.962 25.591 -11.998 1.00 0.00 H new ATOM 0 HB VAL A 62 8.759 23.654 -10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 62 10.009 25.586 -9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.218 25.442 -11.406 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.122 26.674 -10.737 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.987 24.964 -8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.984 25.973 -9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.621 24.241 -9.441 1.00 0.00 H new ATOM 659 N LYS A 63 9.174 23.649 -13.543 1.00 0.00 N ATOM 660 CA LYS A 63 10.049 23.549 -14.731 1.00 0.00 C ATOM 661 C LYS A 63 9.271 23.629 -16.055 1.00 0.00 C ATOM 662 O LYS A 63 9.875 23.899 -17.092 1.00 0.00 O ATOM 663 CB LYS A 63 10.868 22.238 -14.709 1.00 0.00 C ATOM 664 CG LYS A 63 11.836 21.999 -13.533 1.00 0.00 C ATOM 665 CD LYS A 63 12.611 23.241 -13.073 1.00 0.00 C ATOM 666 CE LYS A 63 13.807 22.909 -12.168 1.00 0.00 C ATOM 667 NZ LYS A 63 14.970 22.356 -12.923 1.00 0.00 N ATOM 0 H LYS A 63 9.137 22.789 -12.995 1.00 0.00 H new ATOM 0 HA LYS A 63 10.718 24.408 -14.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.164 21.406 -14.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.448 22.193 -15.631 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.269 21.609 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.551 21.228 -13.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.966 23.784 -13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.933 23.907 -12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.118 23.810 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.495 22.189 -11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.086 21.348 -12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.803 22.461 -13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.833 22.873 -12.659 1.00 0.00 H new ATOM 681 N GLN A 64 7.944 23.444 -16.006 1.00 0.00 N ATOM 682 CA GLN A 64 6.964 23.566 -17.097 1.00 0.00 C ATOM 683 C GLN A 64 7.420 22.910 -18.412 1.00 0.00 C ATOM 684 O GLN A 64 7.286 23.465 -19.505 1.00 0.00 O ATOM 685 CB GLN A 64 6.404 24.998 -17.183 1.00 0.00 C ATOM 686 CG GLN A 64 7.428 26.101 -17.500 1.00 0.00 C ATOM 687 CD GLN A 64 6.926 27.473 -17.061 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.360 28.242 -17.829 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.110 27.830 -15.804 1.00 0.00 N ATOM 0 H GLN A 64 7.490 23.184 -15.130 1.00 0.00 H new ATOM 0 HA GLN A 64 6.095 22.955 -16.852 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.628 25.019 -17.948 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.923 25.237 -16.234 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.370 25.879 -16.998 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.632 26.113 -18.571 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.580 27.196 -15.157 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.782 28.739 -15.479 1.00 0.00 H new ATOM 698 N LEU A 65 7.985 21.703 -18.271 1.00 0.00 N ATOM 699 CA LEU A 65 8.697 20.962 -19.320 1.00 0.00 C ATOM 700 C LEU A 65 7.843 19.831 -19.942 1.00 0.00 C ATOM 701 O LEU A 65 8.350 18.865 -20.510 1.00 0.00 O ATOM 702 CB LEU A 65 10.058 20.533 -18.729 1.00 0.00 C ATOM 703 CG LEU A 65 11.183 20.220 -19.741 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.433 21.344 -20.750 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.489 20.011 -18.970 1.00 0.00 C ATOM 0 H LEU A 65 7.957 21.196 -17.386 1.00 0.00 H new ATOM 0 HA LEU A 65 8.891 21.592 -20.188 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.407 21.325 -18.066 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.898 19.648 -18.112 1.00 0.00 H new ATOM 0 HG LEU A 65 10.864 19.336 -20.293 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.236 21.053 -21.427 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.524 21.528 -21.322 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.718 22.253 -20.219 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.294 19.789 -19.671 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.732 20.916 -18.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.373 19.179 -18.276 1.00 0.00 H new ATOM 717 N TYR A 66 6.523 19.952 -19.814 1.00 0.00 N ATOM 718 CA TYR A 66 5.506 19.129 -20.474 1.00 0.00 C ATOM 719 C TYR A 66 5.128 19.685 -21.861 1.00 0.00 C ATOM 720 O TYR A 66 5.500 20.808 -22.217 1.00 0.00 O ATOM 721 CB TYR A 66 4.291 19.031 -19.540 1.00 0.00 C ATOM 722 CG TYR A 66 3.812 20.367 -18.995 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.100 21.259 -19.816 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.125 20.736 -17.674 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.677 22.505 -19.317 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.685 21.972 -17.160 1.00 0.00 C ATOM 727 CZ TYR A 66 2.959 22.863 -17.982 1.00 0.00 C ATOM 728 OH TYR A 66 2.539 24.068 -17.505 1.00 0.00 O ATOM 0 H TYR A 66 6.109 20.666 -19.214 1.00 0.00 H new ATOM 0 HA TYR A 66 5.904 18.131 -20.659 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.471 18.556 -20.078 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.542 18.379 -18.703 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.876 20.986 -20.837 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.704 20.070 -17.052 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.136 23.187 -19.956 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.903 22.239 -16.136 1.00 0.00 H new ATOM 0 HH TYR A 66 2.812 24.162 -16.568 1.00 0.00 H new ATOM 738 N ASP A 67 4.371 18.921 -22.655 1.00 0.00 N ATOM 739 CA ASP A 67 3.886 19.392 -23.960 1.00 0.00 C ATOM 740 C ASP A 67 2.737 20.415 -23.834 1.00 0.00 C ATOM 741 O ASP A 67 1.869 20.318 -22.965 1.00 0.00 O ATOM 742 CB ASP A 67 3.492 18.217 -24.860 1.00 0.00 C ATOM 743 CG ASP A 67 3.319 18.674 -26.315 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.221 19.173 -26.653 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.297 18.596 -27.094 1.00 0.00 O ATOM 0 H ASP A 67 4.080 17.973 -22.418 1.00 0.00 H new ATOM 0 HA ASP A 67 4.716 19.917 -24.432 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.256 17.441 -24.807 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.563 17.775 -24.501 1.00 0.00 H new ATOM 750 N GLN A 68 2.725 21.392 -24.741 1.00 0.00 N ATOM 751 CA GLN A 68 1.772 22.506 -24.813 1.00 0.00 C ATOM 752 C GLN A 68 0.330 22.030 -25.087 1.00 0.00 C ATOM 753 O GLN A 68 -0.622 22.545 -24.496 1.00 0.00 O ATOM 754 CB GLN A 68 2.174 23.485 -25.940 1.00 0.00 C ATOM 755 CG GLN A 68 3.652 23.913 -26.061 1.00 0.00 C ATOM 756 CD GLN A 68 4.631 22.805 -26.475 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.228 21.839 -27.281 1.00 0.00 O flip ATOM 758 NE2 GLN A 68 5.772 22.759 -26.039 1.00 0.00 N flip ATOM 0 H GLN A 68 3.418 21.432 -25.488 1.00 0.00 H new ATOM 0 HA GLN A 68 1.801 22.998 -23.841 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.882 23.034 -26.889 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.577 24.389 -25.820 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.719 24.723 -26.788 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.974 24.318 -25.102 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.109 23.492 -25.415 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.387 21.988 -26.299 1.00 0.00 H new ATOM 767 N GLN A 69 0.174 21.032 -25.966 1.00 0.00 N ATOM 768 CA GLN A 69 -1.107 20.426 -26.341 1.00 0.00 C ATOM 769 C GLN A 69 -1.449 19.203 -25.479 1.00 0.00 C ATOM 770 O GLN A 69 -2.626 18.859 -25.352 1.00 0.00 O ATOM 771 CB GLN A 69 -1.097 20.075 -27.841 1.00 0.00 C ATOM 772 CG GLN A 69 -1.425 21.270 -28.754 1.00 0.00 C ATOM 773 CD GLN A 69 -0.404 22.408 -28.722 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.626 23.464 -28.143 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.744 22.258 -29.352 1.00 0.00 N ATOM 0 H GLN A 69 0.965 20.610 -26.452 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.894 21.157 -26.154 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.115 19.683 -28.108 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.819 19.279 -28.024 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.514 20.911 -29.779 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.399 21.668 -28.470 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.948 21.386 -29.840 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.429 23.014 -29.351 1.00 0.00 H new ATOM 784 N GLU A 70 -0.452 18.568 -24.854 1.00 0.00 N ATOM 785 CA GLU A 70 -0.666 17.405 -23.977 1.00 0.00 C ATOM 786 C GLU A 70 0.202 17.443 -22.710 1.00 0.00 C ATOM 787 O GLU A 70 1.273 16.839 -22.625 1.00 0.00 O ATOM 788 CB GLU A 70 -0.573 16.069 -24.746 1.00 0.00 C ATOM 789 CG GLU A 70 0.373 16.053 -25.958 1.00 0.00 C ATOM 790 CD GLU A 70 0.341 14.689 -26.674 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.664 14.381 -27.363 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.332 13.921 -26.589 1.00 0.00 O ATOM 0 H GLU A 70 0.526 18.843 -24.940 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.693 17.472 -23.619 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.253 15.294 -24.050 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.572 15.798 -25.087 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.087 16.840 -26.656 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.390 16.271 -25.632 1.00 0.00 H new ATOM 799 N GLN A 71 -0.336 18.089 -21.667 1.00 0.00 N ATOM 800 CA GLN A 71 0.246 18.117 -20.316 1.00 0.00 C ATOM 801 C GLN A 71 0.471 16.707 -19.729 1.00 0.00 C ATOM 802 O GLN A 71 1.258 16.548 -18.795 1.00 0.00 O ATOM 803 CB GLN A 71 -0.668 18.922 -19.372 1.00 0.00 C ATOM 804 CG GLN A 71 -0.575 20.450 -19.526 1.00 0.00 C ATOM 805 CD GLN A 71 -1.289 21.023 -20.752 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.461 21.376 -20.710 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.632 21.149 -21.885 1.00 0.00 N ATOM 0 H GLN A 71 -1.205 18.618 -21.739 1.00 0.00 H new ATOM 0 HA GLN A 71 1.223 18.592 -20.402 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.700 18.617 -19.542 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.424 18.660 -18.343 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.990 20.916 -18.632 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.477 20.732 -19.573 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.345 20.861 -21.943 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.100 21.534 -22.706 1.00 0.00 H new ATOM 816 N HIS A 72 -0.186 15.681 -20.290 1.00 0.00 N ATOM 817 CA HIS A 72 -0.005 14.277 -19.915 1.00 0.00 C ATOM 818 C HIS A 72 1.424 13.758 -20.192 1.00 0.00 C ATOM 819 O HIS A 72 1.863 12.818 -19.524 1.00 0.00 O ATOM 820 CB HIS A 72 -1.093 13.412 -20.597 1.00 0.00 C ATOM 821 CG HIS A 72 -0.573 12.461 -21.652 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.135 12.834 -22.923 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.321 11.131 -21.472 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.384 11.726 -23.476 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.277 10.686 -22.632 1.00 0.00 N ATOM 0 H HIS A 72 -0.872 15.811 -21.033 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.126 14.198 -18.835 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.613 12.836 -19.832 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.830 14.073 -21.054 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.546 10.543 -20.594 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.825 11.678 -24.461 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.585 9.732 -22.817 1.00 0.00 H new ATOM 833 N MET A 73 2.139 14.365 -21.150 1.00 0.00 N ATOM 834 CA MET A 73 3.489 13.990 -21.583 1.00 0.00 C ATOM 835 C MET A 73 4.544 14.951 -21.012 1.00 0.00 C ATOM 836 O MET A 73 4.379 16.172 -21.083 1.00 0.00 O ATOM 837 CB MET A 73 3.549 13.956 -23.120 1.00 0.00 C ATOM 838 CG MET A 73 4.904 13.457 -23.639 1.00 0.00 C ATOM 839 SD MET A 73 5.330 11.775 -23.110 1.00 0.00 S ATOM 840 CE MET A 73 7.092 11.750 -23.523 1.00 0.00 C ATOM 0 H MET A 73 1.774 15.166 -21.666 1.00 0.00 H new ATOM 0 HA MET A 73 3.715 12.996 -21.198 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.757 13.309 -23.498 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.358 14.955 -23.511 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.898 13.493 -24.728 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.683 14.140 -23.302 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.521 10.793 -23.227 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.216 11.887 -24.597 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.601 12.555 -22.993 1.00 0.00 H new ATOM 850 N VAL A 74 5.645 14.410 -20.482 1.00 0.00 N ATOM 851 CA VAL A 74 6.690 15.145 -19.749 1.00 0.00 C ATOM 852 C VAL A 74 8.074 14.873 -20.355 1.00 0.00 C ATOM 853 O VAL A 74 8.462 13.721 -20.571 1.00 0.00 O ATOM 854 CB VAL A 74 6.684 14.756 -18.256 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.688 15.600 -17.462 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.301 14.957 -17.619 1.00 0.00 C ATOM 0 H VAL A 74 5.844 13.412 -20.552 1.00 0.00 H new ATOM 0 HA VAL A 74 6.474 16.210 -19.835 1.00 0.00 H new ATOM 0 HB VAL A 74 6.957 13.702 -18.216 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.663 15.305 -16.413 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.691 15.442 -17.859 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.426 16.654 -17.548 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.340 14.672 -16.568 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.012 16.005 -17.700 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.569 14.337 -18.136 1.00 0.00 H new ATOM 866 N TYR A 75 8.840 15.942 -20.580 1.00 0.00 N ATOM 867 CA TYR A 75 10.233 15.921 -21.032 1.00 0.00 C ATOM 868 C TYR A 75 11.182 16.442 -19.943 1.00 0.00 C ATOM 869 O TYR A 75 10.771 17.104 -18.988 1.00 0.00 O ATOM 870 CB TYR A 75 10.356 16.735 -22.327 1.00 0.00 C ATOM 871 CG TYR A 75 9.573 16.091 -23.447 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.056 14.891 -23.994 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.332 16.613 -23.859 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.295 14.196 -24.944 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.578 15.931 -24.833 1.00 0.00 C ATOM 876 CZ TYR A 75 8.057 14.720 -25.383 1.00 0.00 C ATOM 877 OH TYR A 75 7.321 14.069 -26.326 1.00 0.00 O ATOM 0 H TYR A 75 8.490 16.891 -20.446 1.00 0.00 H new ATOM 0 HA TYR A 75 10.528 14.891 -21.235 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.992 17.749 -22.160 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.405 16.816 -22.612 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.015 14.503 -23.682 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.960 17.532 -23.430 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.655 13.258 -25.342 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.631 16.334 -25.161 1.00 0.00 H new ATOM 0 HH TYR A 75 6.500 14.573 -26.505 1.00 0.00 H new ATOM 887 N CYS A 76 12.470 16.135 -20.097 1.00 0.00 N ATOM 888 CA CYS A 76 13.534 16.436 -19.134 1.00 0.00 C ATOM 889 C CYS A 76 14.874 16.747 -19.836 1.00 0.00 C ATOM 890 O CYS A 76 15.931 16.441 -19.287 1.00 0.00 O ATOM 891 CB CYS A 76 13.710 15.215 -18.225 1.00 0.00 C ATOM 892 SG CYS A 76 12.199 14.693 -17.362 1.00 0.00 S ATOM 0 H CYS A 76 12.816 15.652 -20.926 1.00 0.00 H new ATOM 0 HA CYS A 76 13.251 17.320 -18.562 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.077 14.382 -18.824 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.478 15.437 -17.484 1.00 0.00 H new ATOM 0 HG CYS A 76 12.457 13.654 -16.624 1.00 0.00 H new ATOM 898 N GLY A 77 14.845 17.277 -21.065 1.00 0.00 N ATOM 899 CA GLY A 77 16.020 17.414 -21.941 1.00 0.00 C ATOM 900 C GLY A 77 17.241 18.067 -21.277 1.00 0.00 C ATOM 901 O GLY A 77 17.258 19.279 -21.047 1.00 0.00 O ATOM 0 H GLY A 77 13.987 17.631 -21.489 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.305 16.426 -22.302 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.739 18.003 -22.814 1.00 0.00 H new ATOM 905 N GLY A 78 18.261 17.256 -20.972 1.00 0.00 N ATOM 906 CA GLY A 78 19.499 17.675 -20.301 1.00 0.00 C ATOM 907 C GLY A 78 19.342 18.111 -18.832 1.00 0.00 C ATOM 908 O GLY A 78 20.247 18.752 -18.293 1.00 0.00 O ATOM 0 H GLY A 78 18.248 16.260 -21.192 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.211 16.851 -20.343 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.934 18.502 -20.863 1.00 0.00 H new ATOM 912 N ASP A 79 18.213 17.811 -18.179 1.00 0.00 N ATOM 913 CA ASP A 79 17.886 18.266 -16.827 1.00 0.00 C ATOM 914 C ASP A 79 18.391 17.294 -15.743 1.00 0.00 C ATOM 915 O ASP A 79 18.507 16.075 -15.941 1.00 0.00 O ATOM 916 CB ASP A 79 16.370 18.517 -16.730 1.00 0.00 C ATOM 917 CG ASP A 79 15.985 19.283 -15.455 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.076 20.532 -15.432 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.618 18.623 -14.459 1.00 0.00 O ATOM 0 H ASP A 79 17.483 17.229 -18.590 1.00 0.00 H new ATOM 0 HA ASP A 79 18.408 19.204 -16.637 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.041 19.081 -17.603 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.844 17.562 -16.750 1.00 0.00 H new ATOM 924 N LEU A 80 18.631 17.838 -14.547 1.00 0.00 N ATOM 925 CA LEU A 80 19.004 17.062 -13.367 1.00 0.00 C ATOM 926 C LEU A 80 17.951 15.989 -13.025 1.00 0.00 C ATOM 927 O LEU A 80 18.305 14.945 -12.485 1.00 0.00 O ATOM 928 CB LEU A 80 19.280 17.989 -12.175 1.00 0.00 C ATOM 929 CG LEU A 80 20.664 18.668 -12.173 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.847 19.707 -13.283 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.864 19.380 -10.833 1.00 0.00 C ATOM 0 H LEU A 80 18.570 18.841 -14.372 1.00 0.00 H new ATOM 0 HA LEU A 80 19.926 16.528 -13.599 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.514 18.764 -12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.176 17.412 -11.256 1.00 0.00 H new ATOM 0 HG LEU A 80 21.394 17.876 -12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.845 20.140 -13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.725 19.227 -14.254 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.102 20.494 -13.171 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.840 19.864 -10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.085 20.131 -10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.809 18.653 -10.023 1.00 0.00 H new ATOM 943 N LEU A 81 16.674 16.197 -13.369 1.00 0.00 N ATOM 944 CA LEU A 81 15.628 15.177 -13.238 1.00 0.00 C ATOM 945 C LEU A 81 15.852 13.988 -14.190 1.00 0.00 C ATOM 946 O LEU A 81 15.707 12.840 -13.777 1.00 0.00 O ATOM 947 CB LEU A 81 14.257 15.843 -13.461 1.00 0.00 C ATOM 948 CG LEU A 81 13.061 14.874 -13.417 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.881 14.270 -12.025 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.771 15.601 -13.791 1.00 0.00 C ATOM 0 H LEU A 81 16.336 17.082 -13.748 1.00 0.00 H new ATOM 0 HA LEU A 81 15.665 14.758 -12.233 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.113 16.612 -12.702 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.265 16.347 -14.428 1.00 0.00 H new ATOM 0 HG LEU A 81 13.269 14.078 -14.132 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.028 13.591 -12.030 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.781 13.720 -11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.706 15.067 -11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.936 14.902 -13.755 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.594 16.414 -13.087 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.861 16.007 -14.799 1.00 0.00 H new ATOM 962 N GLY A 82 16.259 14.240 -15.439 1.00 0.00 N ATOM 963 CA GLY A 82 16.650 13.180 -16.377 1.00 0.00 C ATOM 964 C GLY A 82 17.896 12.429 -15.900 1.00 0.00 C ATOM 965 O GLY A 82 17.947 11.201 -15.984 1.00 0.00 O ATOM 0 H GLY A 82 16.327 15.181 -15.828 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.825 12.477 -16.495 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.841 13.615 -17.358 1.00 0.00 H new ATOM 969 N GLU A 83 18.862 13.135 -15.302 1.00 0.00 N ATOM 970 CA GLU A 83 20.039 12.543 -14.682 1.00 0.00 C ATOM 971 C GLU A 83 19.683 11.699 -13.434 1.00 0.00 C ATOM 972 O GLU A 83 20.238 10.613 -13.247 1.00 0.00 O ATOM 973 CB GLU A 83 20.986 13.715 -14.399 1.00 0.00 C ATOM 974 CG GLU A 83 22.136 13.326 -13.492 1.00 0.00 C ATOM 975 CD GLU A 83 23.210 14.428 -13.425 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.116 15.327 -12.555 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.166 14.397 -14.239 1.00 0.00 O ATOM 0 H GLU A 83 18.841 14.153 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 83 20.526 11.819 -15.336 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.383 14.093 -15.341 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.425 14.529 -13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.757 13.127 -12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.586 12.401 -13.852 1.00 0.00 H new ATOM 984 N LEU A 84 18.718 12.145 -12.618 1.00 0.00 N ATOM 985 CA LEU A 84 18.206 11.425 -11.444 1.00 0.00 C ATOM 986 C LEU A 84 17.483 10.123 -11.833 1.00 0.00 C ATOM 987 O LEU A 84 17.728 9.073 -11.235 1.00 0.00 O ATOM 988 CB LEU A 84 17.282 12.376 -10.655 1.00 0.00 C ATOM 989 CG LEU A 84 16.501 11.748 -9.483 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.403 11.198 -8.380 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.576 12.797 -8.862 1.00 0.00 C ATOM 0 H LEU A 84 18.258 13.044 -12.761 1.00 0.00 H new ATOM 0 HA LEU A 84 19.043 11.122 -10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.886 13.195 -10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.565 12.812 -11.350 1.00 0.00 H new ATOM 0 HG LEU A 84 15.940 10.913 -9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.789 10.771 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.052 10.425 -8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.013 12.005 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.025 12.351 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.170 13.634 -8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.873 13.154 -9.615 1.00 0.00 H new ATOM 1003 N LEU A 85 16.609 10.183 -12.843 1.00 0.00 N ATOM 1004 CA LEU A 85 15.849 9.024 -13.332 1.00 0.00 C ATOM 1005 C LEU A 85 16.691 8.067 -14.198 1.00 0.00 C ATOM 1006 O LEU A 85 16.364 6.884 -14.291 1.00 0.00 O ATOM 1007 CB LEU A 85 14.612 9.511 -14.121 1.00 0.00 C ATOM 1008 CG LEU A 85 13.327 9.687 -13.290 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.467 10.703 -12.162 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.198 10.170 -14.201 1.00 0.00 C ATOM 0 H LEU A 85 16.406 11.045 -13.350 1.00 0.00 H new ATOM 0 HA LEU A 85 15.538 8.453 -12.457 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.854 10.464 -14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.411 8.801 -14.924 1.00 0.00 H new ATOM 0 HG LEU A 85 13.117 8.714 -12.847 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.525 10.776 -11.619 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.255 10.383 -11.480 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.721 11.677 -12.579 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.287 10.296 -13.616 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.475 11.124 -14.650 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.026 9.435 -14.988 1.00 0.00 H new ATOM 1022 N GLY A 86 17.741 8.567 -14.864 1.00 0.00 N ATOM 1023 CA GLY A 86 18.489 7.829 -15.898 1.00 0.00 C ATOM 1024 C GLY A 86 17.740 7.759 -17.244 1.00 0.00 C ATOM 1025 O GLY A 86 18.221 7.148 -18.202 1.00 0.00 O ATOM 0 H GLY A 86 18.101 9.507 -14.700 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.456 8.307 -16.051 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.686 6.817 -15.544 1.00 0.00 H new ATOM 1029 N ARG A 87 16.563 8.397 -17.303 1.00 0.00 N ATOM 1030 CA ARG A 87 15.627 8.543 -18.427 1.00 0.00 C ATOM 1031 C ARG A 87 15.048 9.941 -18.377 1.00 0.00 C ATOM 1032 O ARG A 87 14.664 10.406 -17.307 1.00 0.00 O ATOM 1033 CB ARG A 87 14.471 7.533 -18.290 1.00 0.00 C ATOM 1034 CG ARG A 87 14.883 6.106 -18.646 1.00 0.00 C ATOM 1035 CD ARG A 87 13.784 5.100 -18.268 1.00 0.00 C ATOM 1036 NE ARG A 87 14.315 3.756 -17.972 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.564 2.758 -18.795 1.00 0.00 C ATOM 1038 NH1 ARG A 87 14.437 2.849 -20.090 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.947 1.629 -18.281 1.00 0.00 N ATOM 0 H ARG A 87 16.205 8.875 -16.476 1.00 0.00 H new ATOM 0 HA ARG A 87 16.152 8.364 -19.365 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.097 7.553 -17.266 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.648 7.840 -18.936 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.089 6.040 -19.714 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.807 5.851 -18.127 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.242 5.471 -17.398 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.066 5.030 -19.085 1.00 0.00 H new ATOM 0 HE ARG A 87 14.519 3.573 -16.989 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.131 3.726 -20.512 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.644 2.043 -20.681 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.046 1.536 -17.270 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.149 0.835 -18.888 1.00 0.00 H new ATOM 1053 N GLN A 88 14.971 10.592 -19.532 1.00 0.00 N ATOM 1054 CA GLN A 88 14.614 12.007 -19.617 1.00 0.00 C ATOM 1055 C GLN A 88 13.241 12.258 -20.285 1.00 0.00 C ATOM 1056 O GLN A 88 12.950 13.372 -20.721 1.00 0.00 O ATOM 1057 CB GLN A 88 15.839 12.792 -20.131 1.00 0.00 C ATOM 1058 CG GLN A 88 15.905 12.875 -21.651 1.00 0.00 C ATOM 1059 CD GLN A 88 17.249 13.406 -22.154 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.790 14.393 -21.671 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.846 12.780 -23.148 1.00 0.00 N ATOM 0 H GLN A 88 15.154 10.156 -20.436 1.00 0.00 H new ATOM 0 HA GLN A 88 14.404 12.421 -18.631 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.815 13.801 -19.719 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.748 12.318 -19.760 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.729 11.886 -22.073 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.105 13.522 -22.011 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.413 11.956 -23.565 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.741 13.119 -23.500 1.00 0.00 H new ATOM 1070 N SER A 89 12.384 11.233 -20.379 1.00 0.00 N ATOM 1071 CA SER A 89 10.972 11.429 -20.769 1.00 0.00 C ATOM 1072 C SER A 89 10.039 10.342 -20.217 1.00 0.00 C ATOM 1073 O SER A 89 10.435 9.182 -20.071 1.00 0.00 O ATOM 1074 CB SER A 89 10.805 11.580 -22.287 1.00 0.00 C ATOM 1075 OG SER A 89 11.170 10.403 -22.994 1.00 0.00 O ATOM 0 H SER A 89 12.637 10.263 -20.192 1.00 0.00 H new ATOM 0 HA SER A 89 10.670 12.368 -20.306 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.768 11.828 -22.512 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.415 12.413 -22.635 1.00 0.00 H new ATOM 0 HG SER A 89 11.045 10.547 -23.955 1.00 0.00 H new ATOM 1081 N PHE A 90 8.807 10.733 -19.876 1.00 0.00 N ATOM 1082 CA PHE A 90 7.753 9.871 -19.320 1.00 0.00 C ATOM 1083 C PHE A 90 6.364 10.513 -19.485 1.00 0.00 C ATOM 1084 O PHE A 90 6.248 11.685 -19.843 1.00 0.00 O ATOM 1085 CB PHE A 90 8.041 9.571 -17.834 1.00 0.00 C ATOM 1086 CG PHE A 90 8.255 10.771 -16.929 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.167 11.362 -16.260 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.558 11.265 -16.717 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.382 12.444 -15.388 1.00 0.00 C ATOM 1090 CE2 PHE A 90 9.772 12.347 -15.847 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.684 12.935 -15.180 1.00 0.00 C ATOM 0 H PHE A 90 8.501 11.700 -19.984 1.00 0.00 H new ATOM 0 HA PHE A 90 7.752 8.932 -19.874 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.210 8.988 -17.437 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.928 8.940 -17.779 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.167 10.985 -16.416 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.395 10.810 -17.225 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.546 12.899 -14.877 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.771 12.726 -15.691 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.847 13.764 -14.507 1.00 0.00 H new ATOM 1101 N SER A 91 5.298 9.762 -19.204 1.00 0.00 N ATOM 1102 CA SER A 91 3.920 10.271 -19.205 1.00 0.00 C ATOM 1103 C SER A 91 3.122 9.749 -18.009 1.00 0.00 C ATOM 1104 O SER A 91 3.553 8.834 -17.306 1.00 0.00 O ATOM 1105 CB SER A 91 3.229 9.908 -20.524 1.00 0.00 C ATOM 1106 OG SER A 91 2.764 8.568 -20.497 1.00 0.00 O ATOM 0 H SER A 91 5.365 8.772 -18.966 1.00 0.00 H new ATOM 0 HA SER A 91 3.961 11.356 -19.113 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.393 10.584 -20.700 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.925 10.040 -21.353 1.00 0.00 H new ATOM 0 HG SER A 91 2.325 8.357 -21.347 1.00 0.00 H new ATOM 1112 N VAL A 92 1.918 10.285 -17.795 1.00 0.00 N ATOM 1113 CA VAL A 92 0.976 9.741 -16.795 1.00 0.00 C ATOM 1114 C VAL A 92 0.306 8.423 -17.231 1.00 0.00 C ATOM 1115 O VAL A 92 -0.366 7.782 -16.421 1.00 0.00 O ATOM 1116 CB VAL A 92 -0.058 10.791 -16.349 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.649 12.022 -15.771 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.976 11.236 -17.491 1.00 0.00 C ATOM 0 H VAL A 92 1.565 11.098 -18.299 1.00 0.00 H new ATOM 0 HA VAL A 92 1.584 9.488 -15.926 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.675 10.315 -15.587 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.094 12.756 -15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.249 11.726 -14.911 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.296 12.460 -16.531 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.685 11.976 -17.120 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.377 11.675 -18.289 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.520 10.374 -17.877 1.00 0.00 H new ATOM 1128 N LYS A 93 0.507 7.993 -18.489 1.00 0.00 N ATOM 1129 CA LYS A 93 0.089 6.676 -19.015 1.00 0.00 C ATOM 1130 C LYS A 93 1.212 5.628 -18.953 1.00 0.00 C ATOM 1131 O LYS A 93 0.927 4.438 -18.813 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.461 6.832 -20.444 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.789 7.612 -20.462 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.347 7.838 -21.877 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.772 6.527 -22.557 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.377 6.774 -23.895 1.00 0.00 N ATOM 0 H LYS A 93 0.978 8.566 -19.190 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.705 6.300 -18.370 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.273 7.349 -21.062 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.612 5.847 -20.885 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.528 7.071 -19.871 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.641 8.578 -19.980 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.203 8.510 -21.824 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.591 8.332 -22.488 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.905 5.874 -22.664 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.489 6.004 -21.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.652 5.868 -24.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.218 7.376 -23.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.684 7.251 -24.507 1.00 0.00 H new ATOM 1150 N ASP A 94 2.474 6.062 -18.997 1.00 0.00 N ATOM 1151 CA ASP A 94 3.669 5.243 -18.761 1.00 0.00 C ATOM 1152 C ASP A 94 4.633 5.933 -17.764 1.00 0.00 C ATOM 1153 O ASP A 94 5.638 6.532 -18.171 1.00 0.00 O ATOM 1154 CB ASP A 94 4.342 4.899 -20.100 1.00 0.00 C ATOM 1155 CG ASP A 94 5.574 3.988 -19.926 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.693 3.296 -18.883 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.416 3.937 -20.855 1.00 0.00 O ATOM 0 H ASP A 94 2.702 7.034 -19.207 1.00 0.00 H new ATOM 0 HA ASP A 94 3.373 4.304 -18.294 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.619 4.406 -20.750 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.643 5.820 -20.599 1.00 0.00 H new ATOM 1162 N PRO A 95 4.337 5.863 -16.448 1.00 0.00 N ATOM 1163 CA PRO A 95 5.151 6.461 -15.386 1.00 0.00 C ATOM 1164 C PRO A 95 6.369 5.609 -14.982 1.00 0.00 C ATOM 1165 O PRO A 95 7.066 5.956 -14.030 1.00 0.00 O ATOM 1166 CB PRO A 95 4.175 6.662 -14.222 1.00 0.00 C ATOM 1167 CG PRO A 95 3.241 5.460 -14.364 1.00 0.00 C ATOM 1168 CD PRO A 95 3.107 5.321 -15.879 1.00 0.00 C ATOM 0 HA PRO A 95 5.603 7.395 -15.721 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.687 6.667 -13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.637 7.606 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.662 4.563 -13.910 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.277 5.636 -13.886 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.973 4.277 -16.164 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.236 5.865 -16.244 1.00 0.00 H new ATOM 1176 N SER A 96 6.644 4.497 -15.676 1.00 0.00 N ATOM 1177 CA SER A 96 7.687 3.508 -15.340 1.00 0.00 C ATOM 1178 C SER A 96 9.057 4.090 -14.932 1.00 0.00 C ATOM 1179 O SER A 96 9.634 3.561 -13.983 1.00 0.00 O ATOM 1180 CB SER A 96 7.879 2.505 -16.490 1.00 0.00 C ATOM 1181 OG SER A 96 6.652 1.894 -16.846 1.00 0.00 O ATOM 0 H SER A 96 6.128 4.248 -16.520 1.00 0.00 H new ATOM 0 HA SER A 96 7.303 3.013 -14.448 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.298 3.017 -17.356 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.597 1.740 -16.193 1.00 0.00 H new ATOM 0 HG SER A 96 6.133 2.506 -17.409 1.00 0.00 H new ATOM 1187 N PRO A 97 9.580 5.186 -15.530 1.00 0.00 N ATOM 1188 CA PRO A 97 10.861 5.784 -15.125 1.00 0.00 C ATOM 1189 C PRO A 97 10.952 6.255 -13.659 1.00 0.00 C ATOM 1190 O PRO A 97 12.034 6.194 -13.075 1.00 0.00 O ATOM 1191 CB PRO A 97 11.081 6.938 -16.108 1.00 0.00 C ATOM 1192 CG PRO A 97 10.408 6.412 -17.374 1.00 0.00 C ATOM 1193 CD PRO A 97 9.147 5.794 -16.786 1.00 0.00 C ATOM 0 HA PRO A 97 11.641 5.023 -15.164 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.625 7.864 -15.758 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.140 7.144 -16.265 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.186 7.207 -18.086 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.023 5.679 -17.896 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.379 6.548 -16.616 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.720 5.050 -17.459 1.00 0.00 H new ATOM 1201 N LEU A 98 9.834 6.652 -13.033 1.00 0.00 N ATOM 1202 CA LEU A 98 9.742 6.920 -11.584 1.00 0.00 C ATOM 1203 C LEU A 98 10.124 5.656 -10.791 1.00 0.00 C ATOM 1204 O LEU A 98 11.026 5.635 -9.945 1.00 0.00 O ATOM 1205 CB LEU A 98 8.283 7.362 -11.294 1.00 0.00 C ATOM 1206 CG LEU A 98 7.878 7.553 -9.820 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.523 8.791 -9.209 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.364 7.719 -9.700 1.00 0.00 C ATOM 0 H LEU A 98 8.952 6.799 -13.524 1.00 0.00 H new ATOM 0 HA LEU A 98 10.432 7.706 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.106 8.302 -11.816 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.614 6.623 -11.734 1.00 0.00 H new ATOM 0 HG LEU A 98 8.218 6.664 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.211 8.888 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.608 8.696 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.212 9.675 -9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.095 7.853 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.047 8.592 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.868 6.831 -10.091 1.00 0.00 H new ATOM 1220 N TYR A 99 9.456 4.557 -11.121 1.00 0.00 N ATOM 1221 CA TYR A 99 9.626 3.296 -10.417 1.00 0.00 C ATOM 1222 C TYR A 99 10.957 2.618 -10.753 1.00 0.00 C ATOM 1223 O TYR A 99 11.527 1.964 -9.892 1.00 0.00 O ATOM 1224 CB TYR A 99 8.430 2.383 -10.705 1.00 0.00 C ATOM 1225 CG TYR A 99 7.087 2.995 -10.346 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.619 2.930 -9.019 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.318 3.648 -11.331 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.383 3.512 -8.674 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.085 4.234 -10.988 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.612 4.167 -9.660 1.00 0.00 C ATOM 1231 OH TYR A 99 3.415 4.735 -9.342 1.00 0.00 O ATOM 0 H TYR A 99 8.781 4.517 -11.885 1.00 0.00 H new ATOM 0 HA TYR A 99 9.660 3.502 -9.347 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.429 2.125 -11.764 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.554 1.453 -10.151 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.209 2.433 -8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.675 3.699 -12.349 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.025 3.457 -7.656 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.499 4.736 -11.743 1.00 0.00 H new ATOM 0 HH TYR A 99 3.023 5.142 -10.143 1.00 0.00 H new ATOM 1241 N ASP A 100 11.513 2.821 -11.949 1.00 0.00 N ATOM 1242 CA ASP A 100 12.859 2.358 -12.321 1.00 0.00 C ATOM 1243 C ASP A 100 13.968 3.036 -11.490 1.00 0.00 C ATOM 1244 O ASP A 100 15.001 2.435 -11.192 1.00 0.00 O ATOM 1245 CB ASP A 100 13.073 2.622 -13.818 1.00 0.00 C ATOM 1246 CG ASP A 100 14.240 1.833 -14.443 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.683 0.809 -13.869 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.693 2.224 -15.546 1.00 0.00 O ATOM 0 H ASP A 100 11.036 3.319 -12.701 1.00 0.00 H new ATOM 0 HA ASP A 100 12.924 1.291 -12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.156 2.375 -14.353 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.251 3.687 -13.965 1.00 0.00 H new ATOM 1253 N MET A 101 13.743 4.287 -11.077 1.00 0.00 N ATOM 1254 CA MET A 101 14.575 4.989 -10.102 1.00 0.00 C ATOM 1255 C MET A 101 14.349 4.412 -8.691 1.00 0.00 C ATOM 1256 O MET A 101 15.306 4.217 -7.939 1.00 0.00 O ATOM 1257 CB MET A 101 14.268 6.498 -10.224 1.00 0.00 C ATOM 1258 CG MET A 101 14.360 7.269 -8.908 1.00 0.00 C ATOM 1259 SD MET A 101 13.760 8.976 -8.980 1.00 0.00 S ATOM 1260 CE MET A 101 12.089 8.736 -8.311 1.00 0.00 C ATOM 0 H MET A 101 12.963 4.848 -11.419 1.00 0.00 H new ATOM 0 HA MET A 101 15.638 4.847 -10.299 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.961 6.941 -10.940 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.265 6.620 -10.634 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.792 6.732 -8.149 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.400 7.278 -8.581 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.503 9.643 -8.461 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.608 7.904 -8.824 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.152 8.517 -7.245 1.00 0.00 H new ATOM 1270 N LEU A 102 13.096 4.136 -8.304 1.00 0.00 N ATOM 1271 CA LEU A 102 12.771 3.738 -6.925 1.00 0.00 C ATOM 1272 C LEU A 102 13.075 2.269 -6.613 1.00 0.00 C ATOM 1273 O LEU A 102 13.523 1.989 -5.506 1.00 0.00 O ATOM 1274 CB LEU A 102 11.315 4.120 -6.607 1.00 0.00 C ATOM 1275 CG LEU A 102 11.086 5.641 -6.622 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.598 5.962 -6.595 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.757 6.316 -5.427 1.00 0.00 C ATOM 0 H LEU A 102 12.289 4.181 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 102 13.435 4.292 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.653 3.649 -7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.045 3.725 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 102 11.528 6.023 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.459 7.043 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.116 5.525 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.153 5.548 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.576 7.390 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.344 5.913 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.830 6.127 -5.458 1.00 0.00 H new ATOM 1289 N ARG A 103 12.955 1.357 -7.585 1.00 0.00 N ATOM 1290 CA ARG A 103 13.240 -0.091 -7.454 1.00 0.00 C ATOM 1291 C ARG A 103 14.679 -0.408 -7.037 1.00 0.00 C ATOM 1292 O ARG A 103 14.954 -1.424 -6.399 1.00 0.00 O ATOM 1293 CB ARG A 103 12.843 -0.815 -8.761 1.00 0.00 C ATOM 1294 CG ARG A 103 13.622 -0.468 -10.041 1.00 0.00 C ATOM 1295 CD ARG A 103 14.940 -1.213 -10.290 1.00 0.00 C ATOM 1296 NE ARG A 103 15.500 -0.821 -11.597 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.606 -1.245 -12.171 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.412 -2.107 -11.616 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.901 -0.781 -13.347 1.00 0.00 N ATOM 0 H ARG A 103 12.645 1.609 -8.524 1.00 0.00 H new ATOM 0 HA ARG A 103 12.630 -0.466 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.939 -1.887 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.788 -0.615 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.967 -0.649 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.837 0.600 -10.025 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.652 -0.985 -9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.769 -2.289 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 103 14.961 -0.133 -12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.197 -2.485 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.257 -2.403 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.283 -0.108 -13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.751 -1.090 -13.819 1.00 0.00 H new ATOM 1313 N LYS A 104 15.589 0.498 -7.404 1.00 0.00 N ATOM 1314 CA LYS A 104 17.016 0.508 -7.039 1.00 0.00 C ATOM 1315 C LYS A 104 17.258 0.956 -5.586 1.00 0.00 C ATOM 1316 O LYS A 104 18.256 0.563 -4.983 1.00 0.00 O ATOM 1317 CB LYS A 104 17.724 1.410 -8.068 1.00 0.00 C ATOM 1318 CG LYS A 104 19.241 1.538 -7.859 1.00 0.00 C ATOM 1319 CD LYS A 104 19.940 2.241 -9.034 1.00 0.00 C ATOM 1320 CE LYS A 104 19.374 3.644 -9.308 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.164 4.355 -10.354 1.00 0.00 N ATOM 0 H LYS A 104 15.340 1.290 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 104 17.425 -0.502 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.539 1.016 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.279 2.404 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.432 2.094 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.671 0.545 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 104 21.007 2.319 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.836 1.630 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.335 3.563 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.380 4.227 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.757 5.298 -10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.150 4.453 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.137 3.810 -11.239 1.00 0.00 H new ATOM 1335 N ASN A 105 16.350 1.762 -5.025 1.00 0.00 N ATOM 1336 CA ASN A 105 16.483 2.369 -3.693 1.00 0.00 C ATOM 1337 C ASN A 105 15.670 1.647 -2.593 1.00 0.00 C ATOM 1338 O ASN A 105 16.228 1.344 -1.536 1.00 0.00 O ATOM 1339 CB ASN A 105 16.147 3.865 -3.806 1.00 0.00 C ATOM 1340 CG ASN A 105 17.249 4.651 -4.505 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.227 5.050 -3.891 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.155 4.893 -5.794 1.00 0.00 N ATOM 0 H ASN A 105 15.481 2.017 -5.494 1.00 0.00 H new ATOM 0 HA ASN A 105 17.515 2.254 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.213 3.985 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.986 4.276 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.894 5.409 -6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.343 4.565 -6.317 1.00 0.00 H new ATOM 1349 N LEU A 106 14.386 1.340 -2.829 1.00 0.00 N ATOM 1350 CA LEU A 106 13.546 0.475 -1.986 1.00 0.00 C ATOM 1351 C LEU A 106 12.937 -0.697 -2.783 1.00 0.00 C ATOM 1352 O LEU A 106 12.780 -0.625 -4.000 1.00 0.00 O ATOM 1353 CB LEU A 106 12.472 1.294 -1.233 1.00 0.00 C ATOM 1354 CG LEU A 106 11.301 1.849 -2.075 1.00 0.00 C ATOM 1355 CD1 LEU A 106 10.055 2.042 -1.213 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.612 3.209 -2.697 1.00 0.00 C ATOM 0 H LEU A 106 13.885 1.700 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 106 14.194 0.028 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.056 0.666 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.966 2.133 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 106 11.138 1.112 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.244 2.433 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.757 1.085 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.274 2.746 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.754 3.549 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.825 3.930 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.479 3.120 -3.351 1.00 0.00 H new ATOM 1368 N VAL A 107 12.518 -1.756 -2.084 1.00 0.00 N ATOM 1369 CA VAL A 107 11.957 -3.000 -2.666 1.00 0.00 C ATOM 1370 C VAL A 107 10.479 -2.876 -3.100 1.00 0.00 C ATOM 1371 O VAL A 107 9.670 -3.785 -2.898 1.00 0.00 O ATOM 1372 CB VAL A 107 12.232 -4.221 -1.756 1.00 0.00 C ATOM 1373 CG1 VAL A 107 13.738 -4.494 -1.654 1.00 0.00 C ATOM 1374 CG2 VAL A 107 11.673 -4.064 -0.333 1.00 0.00 C ATOM 0 H VAL A 107 12.557 -1.782 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 107 12.492 -3.173 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 107 11.716 -5.056 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 107 13.909 -5.356 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 107 14.139 -4.698 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.238 -3.622 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.903 -4.957 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 107 12.127 -3.195 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.592 -3.929 -0.379 1.00 0.00 H new ATOM 1384 N THR A 108 10.109 -1.733 -3.689 1.00 0.00 N ATOM 1385 CA THR A 108 8.753 -1.454 -4.203 1.00 0.00 C ATOM 1386 C THR A 108 8.518 -2.027 -5.611 1.00 0.00 C ATOM 1387 O THR A 108 9.418 -2.585 -6.246 1.00 0.00 O ATOM 1388 CB THR A 108 8.421 0.047 -4.106 1.00 0.00 C ATOM 1389 OG1 THR A 108 7.031 0.266 -4.240 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.131 0.934 -5.131 1.00 0.00 C ATOM 0 H THR A 108 10.755 -0.956 -3.827 1.00 0.00 H new ATOM 0 HA THR A 108 8.050 -1.982 -3.558 1.00 0.00 H new ATOM 0 HB THR A 108 8.783 0.333 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.870 1.199 -4.492 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.833 1.972 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.210 0.844 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.856 0.618 -6.138 1.00 0.00 H new ATOM 1398 N LEU A 109 7.279 -1.902 -6.089 1.00 0.00 N ATOM 1399 CA LEU A 109 6.822 -2.381 -7.399 1.00 0.00 C ATOM 1400 C LEU A 109 7.362 -1.520 -8.557 1.00 0.00 C ATOM 1401 O LEU A 109 7.616 -0.325 -8.395 1.00 0.00 O ATOM 1402 CB LEU A 109 5.280 -2.419 -7.426 1.00 0.00 C ATOM 1403 CG LEU A 109 4.626 -3.408 -6.440 1.00 0.00 C ATOM 1404 CD1 LEU A 109 3.105 -3.248 -6.489 1.00 0.00 C ATOM 1405 CD2 LEU A 109 4.959 -4.865 -6.768 1.00 0.00 C ATOM 0 H LEU A 109 6.537 -1.448 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 109 7.217 -3.387 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.905 -1.418 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 109 4.957 -2.672 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 109 5.020 -3.177 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.643 -3.947 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.837 -2.229 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.750 -3.454 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.475 -5.521 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.602 -5.103 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.038 -5.010 -6.724 1.00 0.00 H new ATOM 1417 N ALA A 110 7.488 -2.127 -9.741 1.00 0.00 N ATOM 1418 CA ALA A 110 7.834 -1.457 -10.999 1.00 0.00 C ATOM 1419 C ALA A 110 7.169 -2.116 -12.219 1.00 0.00 C ATOM 1420 O ALA A 110 6.627 -3.223 -12.130 1.00 0.00 O ATOM 1421 CB ALA A 110 9.353 -1.456 -11.173 1.00 0.00 C ATOM 0 H ALA A 110 7.347 -3.131 -9.854 1.00 0.00 H new ATOM 0 HA ALA A 110 7.458 -0.435 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 110 9.612 -0.958 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 110 9.814 -0.926 -10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.717 -2.483 -11.196 1.00 0.00 H new ATOM 1427 N THR A 111 7.203 -1.420 -13.361 1.00 0.00 N ATOM 1428 CA THR A 111 6.493 -1.826 -14.585 1.00 0.00 C ATOM 1429 C THR A 111 7.058 -1.204 -15.864 1.00 0.00 C ATOM 1430 O THR A 111 8.280 -1.048 -16.003 1.00 0.00 O ATOM 1431 CB THR A 111 5.009 -1.487 -14.415 1.00 0.00 C ATOM 1432 OG1 THR A 111 4.258 -2.119 -15.433 1.00 0.00 O ATOM 1433 CG2 THR A 111 4.681 0.010 -14.422 1.00 0.00 C ATOM 0 H THR A 111 7.728 -0.552 -13.465 1.00 0.00 H new ATOM 0 HA THR A 111 6.632 -2.900 -14.712 1.00 0.00 H new ATOM 0 HB THR A 111 4.743 -1.853 -13.423 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.309 -1.902 -15.322 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.607 0.148 -14.296 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.209 0.502 -13.605 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.994 0.447 -15.371 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.763 12.987 -12.472 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.354 13.170 -11.320 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.773 11.150 -11.032 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.532 14.681 -14.191 1.00 0.00 C HETATM 1446 CD1 49H A 200 1.881 13.303 -12.611 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.127 12.541 -10.338 1.00 0.00 C HETATM 1448 CD3 49H A 200 -0.154 10.485 -12.093 1.00 0.00 C HETATM 1449 CD4 49H A 200 -1.035 10.451 -9.850 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.543 14.105 -14.975 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.750 15.700 -14.767 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.144 12.799 -12.918 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.389 12.034 -10.647 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.210 9.147 -11.969 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.682 9.107 -9.730 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.826 14.577 -16.254 1.00 0.00 C HETATM 1457 CE6 49H A 200 -1.051 16.174 -16.046 1.00 0.00 C HETATM 1458 CZ1 49H A 200 3.894 12.158 -11.937 1.00 0.00 C HETATM 1459 CZ2 49H A 200 -0.056 8.454 -10.790 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -2.090 15.630 -16.785 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.443 11.501 -12.330 1.00 0.00 CL HETATM 1462 CL2 49H A 200 0.989 8.345 -13.285 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.504 15.816 -18.821 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.249 15.761 -15.617 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.448 17.277 -13.601 1.00 0.00 C HETATM 1466 C1 49H A 200 -2.058 19.346 -12.344 1.00 0.00 C HETATM 1467 N1 49H A 200 -3.099 18.821 -13.011 1.00 0.00 N HETATM 1468 O1 49H A 200 -1.910 20.553 -12.372 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.467 17.399 -12.992 1.00 0.00 C HETATM 1470 N2 49H A 200 -1.370 16.944 -11.714 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.818 16.651 -11.812 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.527 14.762 -11.817 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.334 16.155 -18.039 1.00 0.00 O HETATM 1474 C4 49H A 200 -1.109 18.405 -11.597 1.00 0.00 C HETATM 1475 C5 49H A 200 -0.401 16.039 -11.396 1.00 0.00 C HETATM 1476 O5 49H A 200 0.558 16.381 -10.726 1.00 0.00 O HETATM 1477 C6 49H A 200 -1.343 14.149 -12.802 1.00 0.00 C HETATM 1478 O6 49H A 200 0.364 16.187 -14.106 1.00 0.00 O HETATM 1479 C7 49H A 200 -1.185 12.616 -11.152 1.00 0.00 C HETATM 1480 C8 49H A 200 -0.053 13.667 -10.961 1.00 0.00 C HETATM 1481 C9 49H A 200 1.522 16.794 -14.731 1.00 0.00 C