USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1085 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 113 ASN : amide:sc= -1.24! K(o=-4.5!,f=-3.2) USER MOD Set 1.2: A 128 CYS SG : rot -160:sc= -3.25! USER MOD Set 2.1: A 52 THR OG1 : rot -14:sc= 1.08 USER MOD Set 2.2: A 87 GLN : amide:sc= -0.0397 X(o=1,f=0.58) USER MOD Set 3.1: A 67 CYS SG : rot 87:sc= -0.147 USER MOD Set 3.2: A 71 CYS SG : rot 96:sc= -0.371 USER MOD Set 4.1: A 22 ASN : amide:sc= -3! C(o=-4!,f=-5.9!) USER MOD Set 4.2: A 37 TYR OH : rot -179:sc= -1.02 USER MOD Single : A 10 ASN : amide:sc= -0.446 K(o=-0.45,f=-5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0609 (180deg=-0.395) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 142:sc= 1.26 (180deg=0.0488) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -109:sc= 0.98 (180deg=-0.938!) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0475 (180deg=-0.316) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0774) USER MOD Single : A 36 HIS : no HD1:sc= -0.785 X(o=-0.78,f=-0.72) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 18:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= -2.94! K(o=-2.9!,f=-1.1) USER MOD Single : A 48 MET CE :methyl -121:sc= -6.91! (180deg=-9.08!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 53 ASN : amide:sc= -2.02! X(o=-2!,f=-1.9) USER MOD Single : A 54 GLN : amide:sc= -8.53! C(o=-8.5!,f=-8.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= 0.995 (180deg=-1.02) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.868 K(o=-0.87,f=-0.022) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.66) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -2.1! K(o=-2.1!,f=-1.5) USER MOD Single : A 98 SER OG : rot -57:sc= 1.26 USER MOD Single : A 99 TYR OH : rot 30:sc= -0.246 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -141:sc= -0.0598 (180deg=-0.388) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0167 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.0498 K(o=-0.05,f=-0.89) USER MOD Single : A 112 TYR OH : rot -172:sc= 0.0528 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 122:sc= -0.574 USER MOD Single : A 119 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-4.1!) USER MOD Single : A 121 THR OG1 : rot -74:sc= 0.223 USER MOD Single : A 126 LYS NZ :NH3+ 162:sc= -0.0872 (180deg=-0.365) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0341 K(o=-0.034,f=-0.89) USER MOD Single : A 130 GLN : amide:sc= -0.907 K(o=-0.91,f=-0.0054) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -171:sc= -0.0066 (180deg=-0.0864) USER MOD Single : A 138 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.210 -5.944 2.042 1.00 1.26 N ATOM 2 CA GLU A 9 25.178 -5.301 0.714 1.00 1.05 C ATOM 3 C GLU A 9 23.851 -4.556 0.544 1.00 0.90 C ATOM 4 O GLU A 9 23.239 -4.143 1.535 1.00 0.98 O ATOM 5 CB GLU A 9 25.355 -6.358 -0.382 1.00 1.37 C ATOM 6 CG GLU A 9 25.946 -5.820 -1.677 1.00 2.20 C ATOM 7 CD GLU A 9 25.868 -6.824 -2.803 1.00 2.80 C ATOM 8 OE1 GLU A 9 24.759 -7.079 -3.312 1.00 3.20 O ATOM 9 OE2 GLU A 9 26.925 -7.355 -3.196 1.00 3.26 O ATOM 0 HA GLU A 9 25.996 -4.585 0.631 1.00 1.05 H new ATOM 0 HB2 GLU A 9 25.999 -7.153 -0.004 1.00 1.37 H new ATOM 0 HB3 GLU A 9 24.386 -6.808 -0.597 1.00 1.37 H new ATOM 0 HG2 GLU A 9 25.417 -4.912 -1.966 1.00 2.20 H new ATOM 0 HG3 GLU A 9 26.987 -5.543 -1.511 1.00 2.20 H new ATOM 18 N ASN A 10 23.400 -4.416 -0.699 1.00 0.79 N ATOM 19 CA ASN A 10 22.240 -3.593 -1.030 1.00 0.66 C ATOM 20 C ASN A 10 20.983 -4.026 -0.277 1.00 0.59 C ATOM 21 O ASN A 10 20.237 -3.183 0.195 1.00 0.53 O ATOM 22 CB ASN A 10 21.992 -3.595 -2.550 1.00 0.62 C ATOM 23 CG ASN A 10 21.700 -4.976 -3.125 1.00 1.14 C ATOM 24 OD1 ASN A 10 22.123 -5.997 -2.584 1.00 1.94 O ATOM 25 ND2 ASN A 10 20.997 -5.014 -4.246 1.00 1.45 N ATOM 0 H ASN A 10 23.828 -4.870 -1.506 1.00 0.79 H new ATOM 0 HA ASN A 10 22.467 -2.576 -0.709 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.154 -2.935 -2.773 1.00 0.62 H new ATOM 0 HB3 ASN A 10 22.866 -3.180 -3.052 1.00 0.62 H new ATOM 0 HD21 ASN A 10 20.790 -5.910 -4.688 1.00 1.45 H new ATOM 0 HD22 ASN A 10 20.662 -4.148 -4.667 1.00 1.45 H new ATOM 32 N LYS A 11 20.765 -5.326 -0.136 1.00 0.63 N ATOM 33 CA LYS A 11 19.562 -5.829 0.530 1.00 0.62 C ATOM 34 C LYS A 11 19.461 -5.300 1.962 1.00 0.62 C ATOM 35 O LYS A 11 18.430 -4.759 2.371 1.00 0.58 O ATOM 36 CB LYS A 11 19.558 -7.354 0.530 1.00 0.71 C ATOM 37 CG LYS A 11 19.753 -7.956 -0.851 1.00 0.79 C ATOM 38 CD LYS A 11 19.805 -9.470 -0.798 1.00 1.12 C ATOM 39 CE LYS A 11 20.022 -10.067 -2.178 1.00 1.50 C ATOM 40 NZ LYS A 11 20.070 -11.550 -2.134 1.00 2.19 N ATOM 0 H LYS A 11 21.399 -6.052 -0.470 1.00 0.63 H new ATOM 0 HA LYS A 11 18.694 -5.471 -0.024 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.348 -7.712 1.190 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.613 -7.708 0.943 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.938 -7.642 -1.504 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.676 -7.575 -1.288 1.00 0.79 H new ATOM 0 HD2 LYS A 11 20.610 -9.785 -0.133 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.875 -9.853 -0.377 1.00 1.12 H new ATOM 0 HE2 LYS A 11 19.219 -9.749 -2.843 1.00 1.50 H new ATOM 0 HE3 LYS A 11 20.953 -9.685 -2.597 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 20.219 -11.921 -3.094 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 20.852 -11.854 -1.520 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 19.172 -11.915 -1.757 1.00 2.19 H new ATOM 54 N LYS A 12 20.545 -5.437 2.719 1.00 0.70 N ATOM 55 CA LYS A 12 20.577 -4.928 4.084 1.00 0.74 C ATOM 56 C LYS A 12 20.504 -3.407 4.093 1.00 0.66 C ATOM 57 O LYS A 12 19.815 -2.815 4.926 1.00 0.63 O ATOM 58 CB LYS A 12 21.832 -5.391 4.829 1.00 0.90 C ATOM 59 CG LYS A 12 21.730 -6.792 5.411 1.00 1.54 C ATOM 60 CD LYS A 12 21.845 -7.872 4.348 1.00 2.02 C ATOM 61 CE LYS A 12 21.711 -9.261 4.954 1.00 2.38 C ATOM 62 NZ LYS A 12 22.674 -9.482 6.068 1.00 2.83 N ATOM 0 H LYS A 12 21.405 -5.892 2.413 1.00 0.70 H new ATOM 0 HA LYS A 12 19.706 -5.331 4.600 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.681 -5.354 4.146 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.042 -4.689 5.636 1.00 0.90 H new ATOM 0 HG2 LYS A 12 22.516 -6.932 6.153 1.00 1.54 H new ATOM 0 HG3 LYS A 12 20.778 -6.898 5.931 1.00 1.54 H new ATOM 0 HD2 LYS A 12 21.072 -7.726 3.593 1.00 2.02 H new ATOM 0 HD3 LYS A 12 22.806 -7.785 3.841 1.00 2.02 H new ATOM 0 HE2 LYS A 12 20.694 -9.399 5.322 1.00 2.38 H new ATOM 0 HE3 LYS A 12 21.874 -10.011 4.180 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 22.705 -10.494 6.304 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 23.621 -9.165 5.777 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 22.370 -8.941 6.902 1.00 2.83 H new ATOM 76 N GLN A 13 21.208 -2.775 3.163 1.00 0.64 N ATOM 77 CA GLN A 13 21.204 -1.335 3.055 1.00 0.59 C ATOM 78 C GLN A 13 19.805 -0.824 2.698 1.00 0.50 C ATOM 79 O GLN A 13 19.433 0.289 3.061 1.00 0.49 O ATOM 80 CB GLN A 13 22.232 -0.899 2.014 1.00 0.62 C ATOM 81 CG GLN A 13 22.657 0.539 2.180 1.00 0.90 C ATOM 82 CD GLN A 13 23.729 0.967 1.197 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.809 0.461 0.076 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.560 1.910 1.611 1.00 2.26 N ATOM 0 H GLN A 13 21.791 -3.247 2.472 1.00 0.64 H new ATOM 0 HA GLN A 13 21.476 -0.902 4.018 1.00 0.59 H new ATOM 0 HB2 GLN A 13 23.109 -1.543 2.084 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.814 -1.037 1.017 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.786 1.184 2.060 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.026 0.686 3.195 1.00 0.90 H new ATOM 0 HE21 GLN A 13 24.460 2.303 2.547 1.00 2.26 H new ATOM 0 HE22 GLN A 13 25.301 2.244 0.994 1.00 2.26 H new ATOM 93 N ALA A 14 19.037 -1.654 1.992 1.00 0.46 N ATOM 94 CA ALA A 14 17.657 -1.333 1.642 1.00 0.38 C ATOM 95 C ALA A 14 16.826 -1.144 2.896 1.00 0.39 C ATOM 96 O ALA A 14 15.969 -0.264 2.961 1.00 0.36 O ATOM 97 CB ALA A 14 17.051 -2.438 0.783 1.00 0.36 C ATOM 0 H ALA A 14 19.353 -2.561 1.649 1.00 0.46 H new ATOM 0 HA ALA A 14 17.657 -0.404 1.071 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.022 -2.181 0.532 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.632 -2.546 -0.133 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.066 -3.378 1.335 1.00 0.36 H new ATOM 103 N LEU A 15 17.084 -1.980 3.893 1.00 0.45 N ATOM 104 CA LEU A 15 16.400 -1.875 5.174 1.00 0.47 C ATOM 105 C LEU A 15 16.679 -0.503 5.784 1.00 0.49 C ATOM 106 O LEU A 15 15.784 0.148 6.322 1.00 0.49 O ATOM 107 CB LEU A 15 16.860 -3.012 6.104 1.00 0.54 C ATOM 108 CG LEU A 15 16.031 -3.255 7.379 1.00 1.13 C ATOM 109 CD1 LEU A 15 16.304 -2.192 8.433 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.545 -3.307 7.052 1.00 1.31 C ATOM 0 H LEU A 15 17.763 -2.739 3.839 1.00 0.45 H new ATOM 0 HA LEU A 15 15.324 -1.974 5.034 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.872 -3.937 5.527 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.888 -2.809 6.403 1.00 0.54 H new ATOM 0 HG LEU A 15 16.334 -4.218 7.789 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.702 -2.395 9.319 1.00 1.98 H new ATOM 0 HD12 LEU A 15 17.361 -2.208 8.701 1.00 1.98 H new ATOM 0 HD13 LEU A 15 16.045 -1.211 8.036 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.977 -3.479 7.966 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.237 -2.361 6.607 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.355 -4.118 6.349 1.00 1.31 H new ATOM 122 N LYS A 16 17.922 -0.058 5.654 1.00 0.51 N ATOM 123 CA LYS A 16 18.330 1.245 6.158 1.00 0.54 C ATOM 124 C LYS A 16 17.649 2.361 5.362 1.00 0.48 C ATOM 125 O LYS A 16 17.134 3.319 5.941 1.00 0.49 O ATOM 126 CB LYS A 16 19.853 1.380 6.079 1.00 0.62 C ATOM 127 CG LYS A 16 20.400 2.648 6.718 1.00 0.79 C ATOM 128 CD LYS A 16 20.195 2.657 8.224 1.00 1.64 C ATOM 129 CE LYS A 16 20.799 3.900 8.858 1.00 1.89 C ATOM 130 NZ LYS A 16 20.653 3.898 10.337 1.00 2.88 N ATOM 0 H LYS A 16 18.669 -0.585 5.201 1.00 0.51 H new ATOM 0 HA LYS A 16 18.024 1.334 7.200 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.309 0.516 6.563 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.155 1.354 5.032 1.00 0.62 H new ATOM 0 HG2 LYS A 16 21.463 2.737 6.496 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.909 3.517 6.279 1.00 0.79 H new ATOM 0 HD2 LYS A 16 19.129 2.614 8.448 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.649 1.767 8.660 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.856 3.962 8.598 1.00 1.89 H new ATOM 0 HE3 LYS A 16 20.317 4.787 8.447 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 21.078 4.763 10.729 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 19.644 3.865 10.586 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 21.135 3.066 10.732 1.00 2.88 H new ATOM 144 N GLU A 17 17.638 2.223 4.036 1.00 0.42 N ATOM 145 CA GLU A 17 16.971 3.185 3.163 1.00 0.38 C ATOM 146 C GLU A 17 15.474 3.271 3.474 1.00 0.35 C ATOM 147 O GLU A 17 14.881 4.347 3.386 1.00 0.34 O ATOM 148 CB GLU A 17 17.193 2.817 1.689 1.00 0.35 C ATOM 149 CG GLU A 17 18.619 3.031 1.204 1.00 0.39 C ATOM 150 CD GLU A 17 19.172 4.398 1.570 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.695 5.410 1.016 1.00 0.39 O ATOM 152 OE2 GLU A 17 20.095 4.465 2.411 1.00 0.54 O ATOM 0 H GLU A 17 18.086 1.451 3.543 1.00 0.42 H new ATOM 0 HA GLU A 17 17.409 4.166 3.348 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.924 1.771 1.542 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.518 3.410 1.072 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.261 2.260 1.629 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.651 2.911 0.121 1.00 0.39 H new ATOM 159 N LYS A 18 14.865 2.147 3.853 1.00 0.34 N ATOM 160 CA LYS A 18 13.451 2.142 4.215 1.00 0.34 C ATOM 161 C LYS A 18 13.218 2.980 5.466 1.00 0.40 C ATOM 162 O LYS A 18 12.252 3.729 5.545 1.00 0.41 O ATOM 163 CB LYS A 18 12.923 0.720 4.441 1.00 0.34 C ATOM 164 CG LYS A 18 11.424 0.683 4.731 1.00 0.33 C ATOM 165 CD LYS A 18 10.907 -0.720 5.032 1.00 0.36 C ATOM 166 CE LYS A 18 11.449 -1.276 6.340 1.00 0.50 C ATOM 167 NZ LYS A 18 10.958 -0.517 7.519 1.00 0.80 N ATOM 0 H LYS A 18 15.324 1.238 3.916 1.00 0.34 H new ATOM 0 HA LYS A 18 12.903 2.576 3.378 1.00 0.34 H new ATOM 0 HB2 LYS A 18 13.132 0.115 3.559 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.461 0.266 5.273 1.00 0.34 H new ATOM 0 HG2 LYS A 18 11.208 1.333 5.579 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.884 1.087 3.874 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.818 -0.701 5.074 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.183 -1.388 4.216 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.158 -2.322 6.436 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.538 -1.249 6.321 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.769 -1.175 8.302 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 11.679 0.173 7.813 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.081 -0.016 7.269 1.00 0.80 H new ATOM 181 N GLU A 19 14.115 2.859 6.432 1.00 0.46 N ATOM 182 CA GLU A 19 14.006 3.610 7.678 1.00 0.52 C ATOM 183 C GLU A 19 14.264 5.085 7.442 1.00 0.50 C ATOM 184 O GLU A 19 13.633 5.935 8.064 1.00 0.53 O ATOM 185 CB GLU A 19 14.980 3.055 8.710 1.00 0.58 C ATOM 186 CG GLU A 19 14.722 1.594 9.043 1.00 0.63 C ATOM 187 CD GLU A 19 13.314 1.345 9.553 1.00 1.32 C ATOM 188 OE1 GLU A 19 12.370 1.342 8.734 1.00 2.32 O ATOM 189 OE2 GLU A 19 13.147 1.132 10.774 1.00 1.29 O ATOM 0 H GLU A 19 14.929 2.247 6.379 1.00 0.46 H new ATOM 0 HA GLU A 19 12.991 3.502 8.060 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.998 3.163 8.336 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.911 3.648 9.622 1.00 0.58 H new ATOM 0 HG2 GLU A 19 14.893 0.988 8.153 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.439 1.266 9.795 1.00 0.63 H new ATOM 196 N LEU A 20 15.180 5.377 6.534 1.00 0.47 N ATOM 197 CA LEU A 20 15.450 6.749 6.135 1.00 0.46 C ATOM 198 C LEU A 20 14.235 7.341 5.425 1.00 0.43 C ATOM 199 O LEU A 20 13.875 8.498 5.644 1.00 0.45 O ATOM 200 CB LEU A 20 16.683 6.800 5.228 1.00 0.45 C ATOM 201 CG LEU A 20 17.985 7.241 5.899 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.852 8.657 6.429 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.370 6.285 7.019 1.00 0.60 C ATOM 0 H LEU A 20 15.752 4.680 6.057 1.00 0.47 H new ATOM 0 HA LEU A 20 15.651 7.344 7.026 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.835 5.810 4.798 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.475 7.479 4.401 1.00 0.45 H new ATOM 0 HG LEU A 20 18.778 7.222 5.152 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.786 8.957 6.904 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.630 9.335 5.605 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.044 8.698 7.160 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.299 6.620 7.480 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.579 6.265 7.769 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.508 5.284 6.611 1.00 0.60 H new ATOM 215 N GLY A 21 13.614 6.539 4.567 1.00 0.39 N ATOM 216 CA GLY A 21 12.369 6.938 3.937 1.00 0.37 C ATOM 217 C GLY A 21 11.282 7.150 4.964 1.00 0.40 C ATOM 218 O GLY A 21 10.655 8.198 5.006 1.00 0.41 O ATOM 0 H GLY A 21 13.952 5.616 4.296 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.523 7.857 3.371 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.057 6.174 3.225 1.00 0.37 H new ATOM 222 N ASN A 22 11.097 6.158 5.814 1.00 0.43 N ATOM 223 CA ASN A 22 10.062 6.184 6.841 1.00 0.47 C ATOM 224 C ASN A 22 10.254 7.344 7.816 1.00 0.53 C ATOM 225 O ASN A 22 9.290 7.930 8.302 1.00 0.56 O ATOM 226 CB ASN A 22 10.073 4.859 7.602 1.00 0.52 C ATOM 227 CG ASN A 22 9.009 4.786 8.672 1.00 0.59 C ATOM 228 OD1 ASN A 22 9.270 5.060 9.843 1.00 1.27 O ATOM 229 ND2 ASN A 22 7.800 4.422 8.277 1.00 1.23 N ATOM 0 H ASN A 22 11.660 5.307 5.815 1.00 0.43 H new ATOM 0 HA ASN A 22 9.101 6.327 6.348 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.929 4.040 6.897 1.00 0.52 H new ATOM 0 HB3 ASN A 22 11.052 4.717 8.060 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.040 4.360 8.954 1.00 1.23 H new ATOM 0 HD22 ASN A 22 7.628 4.204 7.296 1.00 1.23 H new ATOM 236 N ASP A 23 11.502 7.664 8.099 1.00 0.54 N ATOM 237 CA ASP A 23 11.830 8.760 9.005 1.00 0.59 C ATOM 238 C ASP A 23 11.374 10.089 8.419 1.00 0.58 C ATOM 239 O ASP A 23 10.713 10.888 9.089 1.00 0.62 O ATOM 240 CB ASP A 23 13.337 8.797 9.247 1.00 0.61 C ATOM 241 CG ASP A 23 13.706 9.694 10.412 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.791 10.926 10.217 1.00 0.79 O ATOM 243 OD2 ASP A 23 13.926 9.172 11.525 1.00 0.93 O ATOM 0 H ASP A 23 12.313 7.180 7.714 1.00 0.54 H new ATOM 0 HA ASP A 23 11.313 8.597 9.951 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.698 7.787 9.440 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.840 9.148 8.346 1.00 0.61 H new ATOM 248 N ALA A 24 11.731 10.309 7.164 1.00 0.53 N ATOM 249 CA ALA A 24 11.298 11.482 6.422 1.00 0.53 C ATOM 250 C ALA A 24 9.782 11.472 6.284 1.00 0.53 C ATOM 251 O ALA A 24 9.115 12.498 6.418 1.00 0.58 O ATOM 252 CB ALA A 24 11.973 11.482 5.061 1.00 0.49 C ATOM 0 H ALA A 24 12.330 9.679 6.631 1.00 0.53 H new ATOM 0 HA ALA A 24 11.581 12.390 6.954 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.654 12.358 4.497 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.055 11.508 5.191 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.695 10.579 4.517 1.00 0.49 H new ATOM 258 N TYR A 25 9.263 10.279 6.053 1.00 0.48 N ATOM 259 CA TYR A 25 7.833 10.023 5.946 1.00 0.49 C ATOM 260 C TYR A 25 7.085 10.549 7.168 1.00 0.59 C ATOM 261 O TYR A 25 5.971 11.062 7.062 1.00 0.63 O ATOM 262 CB TYR A 25 7.643 8.511 5.808 1.00 0.46 C ATOM 263 CG TYR A 25 6.220 8.045 5.669 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.568 8.127 4.450 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.539 7.503 6.750 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.271 7.685 4.304 1.00 0.45 C ATOM 267 CE2 TYR A 25 4.241 7.057 6.616 1.00 0.68 C ATOM 268 CZ TYR A 25 3.611 7.150 5.391 1.00 0.54 C ATOM 269 OH TYR A 25 2.311 6.715 5.259 1.00 0.63 O ATOM 0 H TYR A 25 9.834 9.442 5.932 1.00 0.48 H new ATOM 0 HA TYR A 25 7.426 10.541 5.078 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.205 8.170 4.938 1.00 0.46 H new ATOM 0 HB3 TYR A 25 8.082 8.027 6.680 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.085 8.545 3.599 1.00 0.40 H new ATOM 0 HD2 TYR A 25 6.032 7.430 7.708 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.775 7.757 3.347 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.720 6.637 7.464 1.00 0.68 H new ATOM 0 HH TYR A 25 1.994 6.365 6.118 1.00 0.63 H new ATOM 279 N LYS A 26 7.719 10.424 8.322 1.00 0.65 N ATOM 280 CA LYS A 26 7.125 10.844 9.581 1.00 0.77 C ATOM 281 C LYS A 26 7.018 12.363 9.685 1.00 0.81 C ATOM 282 O LYS A 26 6.039 12.886 10.219 1.00 0.94 O ATOM 283 CB LYS A 26 7.938 10.286 10.746 1.00 0.82 C ATOM 284 CG LYS A 26 7.757 8.795 10.936 1.00 0.86 C ATOM 285 CD LYS A 26 8.595 8.275 12.085 1.00 1.03 C ATOM 286 CE LYS A 26 8.478 6.769 12.202 1.00 0.90 C ATOM 287 NZ LYS A 26 9.291 6.233 13.327 1.00 1.62 N ATOM 0 H LYS A 26 8.656 10.030 8.413 1.00 0.65 H new ATOM 0 HA LYS A 26 6.111 10.447 9.621 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.994 10.500 10.580 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.649 10.801 11.662 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.706 8.576 11.123 1.00 0.86 H new ATOM 0 HG3 LYS A 26 8.033 8.274 10.019 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.638 8.552 11.934 1.00 1.03 H new ATOM 0 HD3 LYS A 26 8.273 8.742 13.016 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.433 6.497 12.348 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.800 6.307 11.269 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 9.183 5.200 13.372 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 10.292 6.470 13.176 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 8.967 6.654 14.221 1.00 1.62 H new ATOM 301 N LYS A 27 8.004 13.075 9.155 1.00 0.75 N ATOM 302 CA LYS A 27 8.026 14.531 9.263 1.00 0.80 C ATOM 303 C LYS A 27 7.476 15.186 8.000 1.00 0.79 C ATOM 304 O LYS A 27 7.885 16.289 7.631 1.00 0.84 O ATOM 305 CB LYS A 27 9.447 15.030 9.539 1.00 0.80 C ATOM 306 CG LYS A 27 10.080 14.395 10.763 1.00 1.16 C ATOM 307 CD LYS A 27 11.407 15.044 11.146 1.00 1.58 C ATOM 308 CE LYS A 27 12.480 14.876 10.076 1.00 1.93 C ATOM 309 NZ LYS A 27 12.406 15.921 9.018 1.00 2.31 N ATOM 0 H LYS A 27 8.794 12.674 8.650 1.00 0.75 H new ATOM 0 HA LYS A 27 7.386 14.811 10.099 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.071 14.826 8.669 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.426 16.112 9.670 1.00 0.80 H new ATOM 0 HG2 LYS A 27 9.389 14.468 11.603 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.241 13.334 10.574 1.00 1.16 H new ATOM 0 HD2 LYS A 27 11.247 16.107 11.329 1.00 1.58 H new ATOM 0 HD3 LYS A 27 11.762 14.610 12.081 1.00 1.58 H new ATOM 0 HE2 LYS A 27 13.463 14.909 10.545 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.379 13.893 9.617 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 12.065 15.495 8.133 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 11.750 16.671 9.316 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 13.351 16.328 8.865 1.00 2.31 H new ATOM 323 N LYS A 28 6.551 14.489 7.337 1.00 0.77 N ATOM 324 CA LYS A 28 5.900 14.984 6.122 1.00 0.80 C ATOM 325 C LYS A 28 6.902 15.307 5.022 1.00 0.71 C ATOM 326 O LYS A 28 6.597 16.045 4.084 1.00 0.75 O ATOM 327 CB LYS A 28 5.038 16.198 6.439 1.00 0.96 C ATOM 328 CG LYS A 28 3.830 15.858 7.291 1.00 1.07 C ATOM 329 CD LYS A 28 3.091 17.105 7.722 1.00 1.24 C ATOM 330 CE LYS A 28 1.832 16.766 8.500 1.00 1.77 C ATOM 331 NZ LYS A 28 0.848 16.025 7.668 1.00 2.39 N ATOM 0 H LYS A 28 6.232 13.565 7.627 1.00 0.77 H new ATOM 0 HA LYS A 28 5.261 14.184 5.747 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.643 16.942 6.957 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.703 16.652 5.507 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.157 15.210 6.729 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.149 15.300 8.171 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.745 17.722 8.338 1.00 1.24 H new ATOM 0 HD3 LYS A 28 2.829 17.696 6.844 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.094 16.167 9.372 1.00 1.77 H new ATOM 0 HE3 LYS A 28 1.376 17.684 8.870 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 -0.080 16.034 8.137 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 0.769 16.480 6.736 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.166 15.042 7.548 1.00 2.39 H new ATOM 345 N ASP A 29 8.091 14.736 5.128 1.00 0.64 N ATOM 346 CA ASP A 29 9.073 14.816 4.072 1.00 0.59 C ATOM 347 C ASP A 29 8.776 13.717 3.072 1.00 0.50 C ATOM 348 O ASP A 29 9.620 12.878 2.793 1.00 0.47 O ATOM 349 CB ASP A 29 10.490 14.644 4.634 1.00 0.60 C ATOM 350 CG ASP A 29 10.917 15.771 5.544 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.090 16.904 5.050 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.059 15.534 6.762 1.00 1.39 O ATOM 0 H ASP A 29 8.396 14.208 5.946 1.00 0.64 H new ATOM 0 HA ASP A 29 9.021 15.794 3.593 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.543 13.704 5.183 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.195 14.569 3.806 1.00 0.60 H new ATOM 357 N PHE A 30 7.556 13.728 2.548 1.00 0.49 N ATOM 358 CA PHE A 30 7.043 12.617 1.761 1.00 0.44 C ATOM 359 C PHE A 30 7.858 12.384 0.492 1.00 0.42 C ATOM 360 O PHE A 30 8.119 11.239 0.130 1.00 0.43 O ATOM 361 CB PHE A 30 5.552 12.817 1.458 1.00 0.45 C ATOM 362 CG PHE A 30 4.697 12.716 2.694 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.617 11.535 3.414 1.00 0.52 C ATOM 364 CD2 PHE A 30 3.955 13.805 3.125 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.816 11.442 4.535 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.154 13.717 4.248 1.00 0.71 C ATOM 367 CZ PHE A 30 3.156 12.523 5.001 1.00 0.66 C ATOM 0 H PHE A 30 6.900 14.502 2.656 1.00 0.49 H new ATOM 0 HA PHE A 30 7.147 11.711 2.358 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.405 13.794 0.997 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.228 12.070 0.733 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.188 10.676 3.094 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.003 14.734 2.576 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.717 10.495 5.044 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.535 14.551 4.545 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.632 12.475 5.944 1.00 0.66 H new ATOM 377 N ASP A 31 8.295 13.449 -0.166 1.00 0.46 N ATOM 378 CA ASP A 31 9.149 13.292 -1.340 1.00 0.48 C ATOM 379 C ASP A 31 10.466 12.648 -0.937 1.00 0.44 C ATOM 380 O ASP A 31 10.939 11.721 -1.586 1.00 0.42 O ATOM 381 CB ASP A 31 9.425 14.629 -2.030 1.00 0.57 C ATOM 382 CG ASP A 31 8.197 15.208 -2.703 1.00 1.30 C ATOM 383 OD1 ASP A 31 7.453 15.965 -2.046 1.00 1.61 O ATOM 384 OD2 ASP A 31 7.980 14.928 -3.901 1.00 1.93 O ATOM 0 H ASP A 31 8.079 14.414 0.085 1.00 0.46 H new ATOM 0 HA ASP A 31 8.620 12.653 -2.047 1.00 0.48 H new ATOM 0 HB2 ASP A 31 9.800 15.341 -1.295 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.211 14.494 -2.773 1.00 0.57 H new ATOM 389 N THR A 32 11.038 13.137 0.154 1.00 0.45 N ATOM 390 CA THR A 32 12.274 12.590 0.699 1.00 0.45 C ATOM 391 C THR A 32 12.069 11.139 1.141 1.00 0.39 C ATOM 392 O THR A 32 12.924 10.279 0.926 1.00 0.38 O ATOM 393 CB THR A 32 12.736 13.431 1.901 1.00 0.50 C ATOM 394 OG1 THR A 32 12.788 14.818 1.537 1.00 0.57 O ATOM 395 CG2 THR A 32 14.096 12.980 2.405 1.00 0.52 C ATOM 0 H THR A 32 10.661 13.922 0.685 1.00 0.45 H new ATOM 0 HA THR A 32 13.036 12.619 -0.080 1.00 0.45 H new ATOM 0 HB THR A 32 12.014 13.290 2.705 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.081 15.348 2.308 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.392 13.596 3.254 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.041 11.936 2.715 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.832 13.084 1.608 1.00 0.52 H new ATOM 403 N ALA A 33 10.922 10.886 1.755 1.00 0.38 N ATOM 404 CA ALA A 33 10.544 9.552 2.194 1.00 0.36 C ATOM 405 C ALA A 33 10.535 8.591 1.026 1.00 0.30 C ATOM 406 O ALA A 33 11.261 7.597 1.011 1.00 0.28 O ATOM 407 CB ALA A 33 9.168 9.588 2.829 1.00 0.39 C ATOM 0 H ALA A 33 10.226 11.602 1.963 1.00 0.38 H new ATOM 0 HA ALA A 33 11.275 9.210 2.927 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.892 8.585 3.155 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.181 10.259 3.688 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.440 9.946 2.101 1.00 0.39 H new ATOM 413 N LEU A 34 9.715 8.923 0.044 1.00 0.29 N ATOM 414 CA LEU A 34 9.565 8.126 -1.157 1.00 0.26 C ATOM 415 C LEU A 34 10.907 7.988 -1.861 1.00 0.26 C ATOM 416 O LEU A 34 11.191 6.981 -2.495 1.00 0.26 O ATOM 417 CB LEU A 34 8.555 8.815 -2.066 1.00 0.28 C ATOM 418 CG LEU A 34 7.632 7.902 -2.856 1.00 0.33 C ATOM 419 CD1 LEU A 34 6.468 8.707 -3.387 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.375 7.223 -3.998 1.00 0.53 C ATOM 0 H LEU A 34 9.131 9.759 0.060 1.00 0.29 H new ATOM 0 HA LEU A 34 9.211 7.126 -0.904 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.941 9.478 -1.456 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.100 9.443 -2.770 1.00 0.28 H new ATOM 0 HG LEU A 34 7.262 7.120 -2.194 1.00 0.33 H new ATOM 0 HD11 LEU A 34 5.804 8.055 -3.954 1.00 0.81 H new ATOM 0 HD12 LEU A 34 5.920 9.147 -2.554 1.00 0.81 H new ATOM 0 HD13 LEU A 34 6.840 9.500 -4.036 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.689 6.576 -4.545 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.776 7.980 -4.672 1.00 0.53 H new ATOM 0 HD23 LEU A 34 9.193 6.626 -3.596 1.00 0.53 H new ATOM 432 N LYS A 35 11.731 9.016 -1.720 1.00 0.31 N ATOM 433 CA LYS A 35 13.046 9.051 -2.334 1.00 0.33 C ATOM 434 C LYS A 35 13.940 7.947 -1.765 1.00 0.29 C ATOM 435 O LYS A 35 14.569 7.204 -2.519 1.00 0.30 O ATOM 436 CB LYS A 35 13.672 10.431 -2.110 1.00 0.40 C ATOM 437 CG LYS A 35 14.371 11.014 -3.329 1.00 0.49 C ATOM 438 CD LYS A 35 13.425 11.173 -4.521 1.00 0.53 C ATOM 439 CE LYS A 35 12.309 12.178 -4.252 1.00 0.60 C ATOM 440 NZ LYS A 35 12.825 13.560 -4.075 1.00 1.41 N ATOM 0 H LYS A 35 11.505 9.849 -1.176 1.00 0.31 H new ATOM 0 HA LYS A 35 12.947 8.874 -3.405 1.00 0.33 H new ATOM 0 HB2 LYS A 35 12.892 11.122 -1.790 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.391 10.361 -1.294 1.00 0.40 H new ATOM 0 HG2 LYS A 35 14.795 11.985 -3.072 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.202 10.368 -3.612 1.00 0.49 H new ATOM 0 HD2 LYS A 35 13.995 11.493 -5.393 1.00 0.53 H new ATOM 0 HD3 LYS A 35 12.987 10.205 -4.764 1.00 0.53 H new ATOM 0 HE2 LYS A 35 11.600 12.161 -5.080 1.00 0.60 H new ATOM 0 HE3 LYS A 35 11.762 11.879 -3.358 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 12.026 14.223 -4.013 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 13.387 13.612 -3.201 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 13.424 13.814 -4.887 1.00 1.41 H new ATOM 454 N HIS A 36 13.984 7.822 -0.436 1.00 0.29 N ATOM 455 CA HIS A 36 14.788 6.768 0.191 1.00 0.29 C ATOM 456 C HIS A 36 14.103 5.420 0.029 1.00 0.25 C ATOM 457 O HIS A 36 14.764 4.398 -0.119 1.00 0.27 O ATOM 458 CB HIS A 36 15.023 7.005 1.683 1.00 0.38 C ATOM 459 CG HIS A 36 15.736 8.275 2.033 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.087 8.460 1.856 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.276 9.408 2.607 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.429 9.651 2.308 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.347 10.250 2.772 1.00 0.46 N ATOM 0 H HIS A 36 13.483 8.425 0.217 1.00 0.29 H new ATOM 0 HA HIS A 36 15.754 6.782 -0.314 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.058 7.000 2.190 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.596 6.167 2.080 1.00 0.38 H new ATOM 0 HD2 HIS A 36 14.253 9.614 2.885 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.426 10.066 2.300 1.00 0.47 H new ATOM 0 HE2 HIS A 36 16.313 11.182 3.184 1.00 0.46 H new ATOM 472 N TYR A 37 12.776 5.421 0.084 1.00 0.22 N ATOM 473 CA TYR A 37 12.007 4.206 -0.142 1.00 0.21 C ATOM 474 C TYR A 37 12.304 3.643 -1.528 1.00 0.21 C ATOM 475 O TYR A 37 12.513 2.442 -1.693 1.00 0.24 O ATOM 476 CB TYR A 37 10.511 4.480 -0.023 1.00 0.22 C ATOM 477 CG TYR A 37 9.956 4.540 1.386 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.298 3.595 2.345 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.036 5.516 1.733 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.740 3.631 3.610 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.462 5.551 2.987 1.00 0.41 C ATOM 482 CZ TYR A 37 8.818 4.607 3.922 1.00 0.36 C ATOM 483 OH TYR A 37 8.230 4.623 5.166 1.00 0.48 O ATOM 0 H TYR A 37 12.213 6.248 0.283 1.00 0.22 H new ATOM 0 HA TYR A 37 12.297 3.480 0.618 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.295 5.427 -0.518 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.975 3.705 -0.570 1.00 0.22 H new ATOM 0 HD1 TYR A 37 11.010 2.821 2.099 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.762 6.266 1.006 1.00 0.37 H new ATOM 0 HE1 TYR A 37 10.025 2.898 4.350 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.738 6.314 3.233 1.00 0.41 H new ATOM 0 HH TYR A 37 7.593 5.366 5.217 1.00 0.48 H new ATOM 493 N ASP A 38 12.329 4.533 -2.516 1.00 0.25 N ATOM 494 CA ASP A 38 12.640 4.162 -3.894 1.00 0.31 C ATOM 495 C ASP A 38 14.068 3.662 -3.987 1.00 0.30 C ATOM 496 O ASP A 38 14.376 2.739 -4.743 1.00 0.32 O ATOM 497 CB ASP A 38 12.442 5.359 -4.818 1.00 0.42 C ATOM 498 CG ASP A 38 12.631 5.016 -6.281 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.715 4.421 -6.887 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.695 5.356 -6.839 1.00 1.51 O ATOM 0 H ASP A 38 12.136 5.526 -2.386 1.00 0.25 H new ATOM 0 HA ASP A 38 11.966 3.364 -4.205 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.440 5.762 -4.672 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.145 6.145 -4.541 1.00 0.42 H new ATOM 505 N LYS A 39 14.941 4.288 -3.213 1.00 0.30 N ATOM 506 CA LYS A 39 16.315 3.834 -3.089 1.00 0.32 C ATOM 507 C LYS A 39 16.335 2.409 -2.541 1.00 0.29 C ATOM 508 O LYS A 39 17.008 1.540 -3.083 1.00 0.32 O ATOM 509 CB LYS A 39 17.104 4.765 -2.169 1.00 0.35 C ATOM 510 CG LYS A 39 18.579 4.418 -2.061 1.00 0.41 C ATOM 511 CD LYS A 39 19.308 4.646 -3.374 1.00 0.47 C ATOM 512 CE LYS A 39 20.785 4.334 -3.235 1.00 0.54 C ATOM 513 NZ LYS A 39 21.546 4.623 -4.479 1.00 1.25 N ATOM 0 H LYS A 39 14.720 5.116 -2.659 1.00 0.30 H new ATOM 0 HA LYS A 39 16.783 3.847 -4.073 1.00 0.32 H new ATOM 0 HB2 LYS A 39 17.007 5.788 -2.533 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.661 4.738 -1.174 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.039 5.023 -1.280 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.687 3.375 -1.761 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.871 4.018 -4.151 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.179 5.681 -3.691 1.00 0.47 H new ATOM 0 HE2 LYS A 39 21.201 4.918 -2.414 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.908 3.283 -2.973 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.550 4.393 -4.333 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.169 4.047 -5.258 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.453 5.631 -4.717 1.00 1.25 H new ATOM 527 N ALA A 40 15.566 2.174 -1.484 1.00 0.25 N ATOM 528 CA ALA A 40 15.457 0.848 -0.882 1.00 0.24 C ATOM 529 C ALA A 40 14.923 -0.165 -1.887 1.00 0.22 C ATOM 530 O ALA A 40 15.314 -1.325 -1.872 1.00 0.26 O ATOM 531 CB ALA A 40 14.563 0.892 0.351 1.00 0.22 C ATOM 0 H ALA A 40 15.004 2.890 -1.023 1.00 0.25 H new ATOM 0 HA ALA A 40 16.455 0.533 -0.578 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.494 -0.105 0.786 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.987 1.579 1.084 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.568 1.234 0.067 1.00 0.22 H new ATOM 537 N LYS A 41 14.032 0.284 -2.761 1.00 0.23 N ATOM 538 CA LYS A 41 13.490 -0.565 -3.817 1.00 0.26 C ATOM 539 C LYS A 41 14.566 -0.900 -4.854 1.00 0.31 C ATOM 540 O LYS A 41 14.504 -1.929 -5.525 1.00 0.37 O ATOM 541 CB LYS A 41 12.309 0.130 -4.488 1.00 0.29 C ATOM 542 CG LYS A 41 11.707 -0.645 -5.640 1.00 0.41 C ATOM 543 CD LYS A 41 10.737 0.219 -6.416 1.00 0.78 C ATOM 544 CE LYS A 41 10.191 -0.506 -7.626 1.00 0.89 C ATOM 545 NZ LYS A 41 9.648 0.440 -8.636 1.00 1.37 N ATOM 0 H LYS A 41 13.667 1.236 -2.760 1.00 0.23 H new ATOM 0 HA LYS A 41 13.148 -1.498 -3.369 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.535 0.309 -3.742 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.634 1.105 -4.851 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.499 -0.996 -6.302 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.193 -1.528 -5.261 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.913 0.516 -5.767 1.00 0.78 H new ATOM 0 HD3 LYS A 41 11.238 1.133 -6.734 1.00 0.78 H new ATOM 0 HE2 LYS A 41 10.981 -1.106 -8.077 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.406 -1.195 -7.314 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 9.283 -0.094 -9.451 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 8.877 0.995 -8.212 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 10.403 1.081 -8.953 1.00 1.37 H new ATOM 559 N GLU A 42 15.549 -0.021 -4.991 1.00 0.32 N ATOM 560 CA GLU A 42 16.681 -0.282 -5.868 1.00 0.38 C ATOM 561 C GLU A 42 17.631 -1.258 -5.190 1.00 0.40 C ATOM 562 O GLU A 42 18.283 -2.077 -5.839 1.00 0.50 O ATOM 563 CB GLU A 42 17.410 1.021 -6.208 1.00 0.43 C ATOM 564 CG GLU A 42 18.552 0.850 -7.196 1.00 1.11 C ATOM 565 CD GLU A 42 18.104 0.238 -8.508 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.378 0.913 -9.268 1.00 2.03 O ATOM 567 OE2 GLU A 42 18.474 -0.921 -8.786 1.00 2.78 O ATOM 0 H GLU A 42 15.585 0.876 -4.508 1.00 0.32 H new ATOM 0 HA GLU A 42 16.318 -0.720 -6.798 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.692 1.731 -6.618 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.801 1.457 -5.289 1.00 0.43 H new ATOM 0 HG2 GLU A 42 19.008 1.821 -7.390 1.00 1.11 H new ATOM 0 HG3 GLU A 42 19.322 0.220 -6.750 1.00 1.11 H new ATOM 574 N LEU A 43 17.687 -1.173 -3.873 1.00 0.36 N ATOM 575 CA LEU A 43 18.551 -2.036 -3.092 1.00 0.39 C ATOM 576 C LEU A 43 17.918 -3.411 -2.915 1.00 0.39 C ATOM 577 O LEU A 43 18.614 -4.423 -2.843 1.00 0.49 O ATOM 578 CB LEU A 43 18.873 -1.400 -1.745 1.00 0.39 C ATOM 579 CG LEU A 43 20.039 -0.419 -1.769 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.779 0.666 -2.775 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.250 0.186 -0.407 1.00 0.45 C ATOM 0 H LEU A 43 17.141 -0.511 -3.321 1.00 0.36 H new ATOM 0 HA LEU A 43 19.489 -2.165 -3.633 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.986 -0.881 -1.382 1.00 0.39 H new ATOM 0 HB3 LEU A 43 19.095 -2.191 -1.029 1.00 0.39 H new ATOM 0 HG LEU A 43 20.941 -0.962 -2.053 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.618 1.362 -2.785 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.663 0.224 -3.765 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.868 1.200 -2.507 1.00 0.42 H new ATOM 0 HD21 LEU A 43 21.087 0.884 -0.444 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.348 0.717 -0.101 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.468 -0.604 0.312 1.00 0.45 H new ATOM 593 N ASP A 44 16.595 -3.450 -2.851 1.00 0.32 N ATOM 594 CA ASP A 44 15.883 -4.715 -2.849 1.00 0.33 C ATOM 595 C ASP A 44 14.494 -4.562 -3.463 1.00 0.32 C ATOM 596 O ASP A 44 13.534 -4.213 -2.776 1.00 0.33 O ATOM 597 CB ASP A 44 15.754 -5.294 -1.443 1.00 0.40 C ATOM 598 CG ASP A 44 15.523 -6.793 -1.460 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.478 -7.238 -1.983 1.00 0.52 O ATOM 600 OD2 ASP A 44 16.377 -7.540 -0.940 1.00 1.11 O ATOM 0 H ASP A 44 15.998 -2.625 -2.800 1.00 0.32 H new ATOM 0 HA ASP A 44 16.471 -5.406 -3.453 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.659 -5.074 -0.877 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.928 -4.807 -0.925 1.00 0.40 H new ATOM 605 N PRO A 45 14.370 -4.827 -4.771 1.00 0.41 N ATOM 606 CA PRO A 45 13.090 -4.747 -5.481 1.00 0.49 C ATOM 607 C PRO A 45 12.159 -5.903 -5.135 1.00 0.47 C ATOM 608 O PRO A 45 10.951 -5.831 -5.364 1.00 0.59 O ATOM 609 CB PRO A 45 13.502 -4.830 -6.950 1.00 0.64 C ATOM 610 CG PRO A 45 14.761 -5.621 -6.926 1.00 0.63 C ATOM 611 CD PRO A 45 15.471 -5.212 -5.669 1.00 0.52 C ATOM 0 HA PRO A 45 12.537 -3.845 -5.221 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.736 -5.318 -7.553 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.661 -3.840 -7.377 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.552 -6.691 -6.928 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.371 -5.414 -7.806 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.061 -6.030 -5.255 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.156 -4.383 -5.845 1.00 0.52 H new ATOM 619 N THR A 46 12.731 -6.965 -4.585 1.00 0.39 N ATOM 620 CA THR A 46 11.970 -8.155 -4.248 1.00 0.40 C ATOM 621 C THR A 46 11.343 -8.031 -2.864 1.00 0.40 C ATOM 622 O THR A 46 10.492 -8.834 -2.473 1.00 0.42 O ATOM 623 CB THR A 46 12.852 -9.410 -4.328 1.00 0.42 C ATOM 624 OG1 THR A 46 14.070 -9.221 -3.593 1.00 0.45 O ATOM 625 CG2 THR A 46 13.182 -9.737 -5.775 1.00 0.46 C ATOM 0 H THR A 46 13.725 -7.024 -4.363 1.00 0.39 H new ATOM 0 HA THR A 46 11.166 -8.253 -4.978 1.00 0.40 H new ATOM 0 HB THR A 46 12.296 -10.239 -3.890 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.962 -8.474 -2.968 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.807 -10.629 -5.813 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.259 -9.917 -6.327 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.716 -8.900 -6.225 1.00 0.46 H new ATOM 633 N ASN A 47 11.771 -7.019 -2.127 1.00 0.52 N ATOM 634 CA ASN A 47 11.188 -6.715 -0.836 1.00 0.56 C ATOM 635 C ASN A 47 9.990 -5.808 -1.035 1.00 0.56 C ATOM 636 O ASN A 47 10.115 -4.581 -1.039 1.00 0.89 O ATOM 637 CB ASN A 47 12.217 -6.059 0.079 1.00 0.78 C ATOM 638 CG ASN A 47 11.745 -5.975 1.515 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.944 -6.900 2.300 1.00 2.13 O ATOM 640 ND2 ASN A 47 11.123 -4.863 1.874 1.00 1.47 N ATOM 0 H ASN A 47 12.526 -6.392 -2.406 1.00 0.52 H new ATOM 0 HA ASN A 47 10.864 -7.640 -0.359 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.148 -6.625 0.038 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.437 -5.056 -0.287 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.790 -4.751 2.832 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.977 -4.118 1.193 1.00 1.47 H new ATOM 647 N MET A 48 8.830 -6.433 -1.199 1.00 0.29 N ATOM 648 CA MET A 48 7.596 -5.732 -1.534 1.00 0.26 C ATOM 649 C MET A 48 7.297 -4.599 -0.556 1.00 0.24 C ATOM 650 O MET A 48 6.658 -3.611 -0.919 1.00 0.24 O ATOM 651 CB MET A 48 6.422 -6.708 -1.554 1.00 0.22 C ATOM 652 CG MET A 48 5.962 -7.152 -0.175 1.00 0.19 C ATOM 653 SD MET A 48 4.451 -8.121 -0.239 1.00 1.05 S ATOM 654 CE MET A 48 3.340 -6.934 -0.987 1.00 0.27 C ATOM 0 H MET A 48 8.718 -7.442 -1.103 1.00 0.29 H new ATOM 0 HA MET A 48 7.733 -5.296 -2.524 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.584 -6.242 -2.072 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.704 -7.588 -2.132 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.749 -7.741 0.296 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.802 -6.275 0.452 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.499 -6.752 -0.319 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.872 -5.999 -1.164 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.972 -7.327 -1.935 1.00 0.27 H new ATOM 664 N THR A 49 7.765 -4.750 0.678 1.00 0.24 N ATOM 665 CA THR A 49 7.520 -3.772 1.721 1.00 0.26 C ATOM 666 C THR A 49 7.975 -2.379 1.297 1.00 0.28 C ATOM 667 O THR A 49 7.253 -1.401 1.493 1.00 0.39 O ATOM 668 CB THR A 49 8.244 -4.168 3.018 1.00 0.29 C ATOM 669 OG1 THR A 49 7.965 -5.538 3.329 1.00 0.71 O ATOM 670 CG2 THR A 49 7.810 -3.278 4.171 1.00 0.64 C ATOM 0 H THR A 49 8.321 -5.550 0.978 1.00 0.24 H new ATOM 0 HA THR A 49 6.444 -3.751 1.897 1.00 0.26 H new ATOM 0 HB THR A 49 9.316 -4.040 2.869 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.430 -5.787 4.155 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.335 -3.576 5.078 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.048 -2.240 3.939 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.735 -3.379 4.324 1.00 0.64 H new ATOM 678 N TYR A 50 9.147 -2.302 0.671 1.00 0.23 N ATOM 679 CA TYR A 50 9.708 -1.017 0.277 1.00 0.23 C ATOM 680 C TYR A 50 8.782 -0.329 -0.705 1.00 0.26 C ATOM 681 O TYR A 50 8.501 0.862 -0.598 1.00 0.42 O ATOM 682 CB TYR A 50 11.090 -1.186 -0.351 1.00 0.21 C ATOM 683 CG TYR A 50 12.091 -1.832 0.571 1.00 0.22 C ATOM 684 CD1 TYR A 50 12.068 -1.584 1.934 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.072 -2.679 0.075 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.998 -2.161 2.774 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.997 -3.261 0.912 1.00 0.31 C ATOM 688 CZ TYR A 50 13.908 -3.047 2.278 1.00 0.34 C ATOM 689 OH TYR A 50 14.893 -3.559 3.094 1.00 0.44 O ATOM 0 H TYR A 50 9.721 -3.109 0.428 1.00 0.23 H new ATOM 0 HA TYR A 50 9.812 -0.405 1.173 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.999 -1.788 -1.255 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.465 -0.209 -0.655 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.312 -0.931 2.344 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.110 -2.885 -0.985 1.00 0.25 H new ATOM 0 HE1 TYR A 50 13.005 -1.911 3.825 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.785 -3.879 0.508 1.00 0.31 H new ATOM 0 HH TYR A 50 15.455 -4.176 2.581 1.00 0.44 H new ATOM 699 N ILE A 51 8.279 -1.118 -1.636 1.00 0.18 N ATOM 700 CA ILE A 51 7.401 -0.624 -2.673 1.00 0.19 C ATOM 701 C ILE A 51 6.067 -0.156 -2.084 1.00 0.19 C ATOM 702 O ILE A 51 5.549 0.898 -2.459 1.00 0.22 O ATOM 703 CB ILE A 51 7.148 -1.720 -3.727 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.474 -2.196 -4.329 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.217 -1.209 -4.817 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.342 -3.450 -5.165 1.00 0.33 C ATOM 0 H ILE A 51 8.469 -2.119 -1.692 1.00 0.18 H new ATOM 0 HA ILE A 51 7.888 0.227 -3.149 1.00 0.19 H new ATOM 0 HB ILE A 51 6.667 -2.567 -3.238 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.890 -1.400 -4.946 1.00 0.25 H new ATOM 0 HG13 ILE A 51 9.185 -2.379 -3.523 1.00 0.25 H new ATOM 0 HG21 ILE A 51 6.050 -1.997 -5.552 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.264 -0.918 -4.375 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.669 -0.346 -5.306 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.319 -3.729 -5.559 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.955 -4.260 -4.547 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.656 -3.265 -5.992 1.00 0.33 H new ATOM 718 N THR A 52 5.523 -0.934 -1.147 1.00 0.20 N ATOM 719 CA THR A 52 4.253 -0.588 -0.515 1.00 0.24 C ATOM 720 C THR A 52 4.393 0.661 0.353 1.00 0.24 C ATOM 721 O THR A 52 3.422 1.383 0.584 1.00 0.27 O ATOM 722 CB THR A 52 3.697 -1.748 0.342 1.00 0.27 C ATOM 723 OG1 THR A 52 4.615 -2.103 1.385 1.00 0.28 O ATOM 724 CG2 THR A 52 3.414 -2.966 -0.512 1.00 0.26 C ATOM 0 H THR A 52 5.940 -1.802 -0.812 1.00 0.20 H new ATOM 0 HA THR A 52 3.549 -0.389 -1.323 1.00 0.24 H new ATOM 0 HB THR A 52 2.765 -1.403 0.790 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.490 -1.702 1.201 1.00 0.28 H new ATOM 0 HG21 THR A 52 3.024 -3.767 0.115 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.679 -2.712 -1.276 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.336 -3.296 -0.991 1.00 0.26 H new ATOM 732 N ASN A 53 5.609 0.916 0.823 1.00 0.25 N ATOM 733 CA ASN A 53 5.885 2.101 1.619 1.00 0.27 C ATOM 734 C ASN A 53 5.917 3.335 0.733 1.00 0.24 C ATOM 735 O ASN A 53 5.432 4.396 1.118 1.00 0.27 O ATOM 736 CB ASN A 53 7.205 1.951 2.372 1.00 0.34 C ATOM 737 CG ASN A 53 7.123 0.978 3.532 1.00 0.81 C ATOM 738 OD1 ASN A 53 8.097 0.310 3.865 1.00 1.59 O ATOM 739 ND2 ASN A 53 5.964 0.902 4.169 1.00 1.42 N ATOM 0 H ASN A 53 6.419 0.316 0.665 1.00 0.25 H new ATOM 0 HA ASN A 53 5.086 2.217 2.351 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.976 1.615 1.678 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.516 2.927 2.746 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.860 0.273 4.965 1.00 1.42 H new ATOM 0 HD22 ASN A 53 5.176 1.473 3.864 1.00 1.42 H new ATOM 746 N GLN A 54 6.479 3.182 -0.461 1.00 0.23 N ATOM 747 CA GLN A 54 6.453 4.244 -1.462 1.00 0.25 C ATOM 748 C GLN A 54 5.014 4.588 -1.796 1.00 0.25 C ATOM 749 O GLN A 54 4.638 5.755 -1.891 1.00 0.28 O ATOM 750 CB GLN A 54 7.145 3.792 -2.742 1.00 0.27 C ATOM 751 CG GLN A 54 8.532 3.229 -2.537 1.00 0.40 C ATOM 752 CD GLN A 54 9.082 2.604 -3.803 1.00 0.62 C ATOM 753 OE1 GLN A 54 10.283 2.571 -4.025 1.00 1.27 O ATOM 754 NE2 GLN A 54 8.197 2.095 -4.645 1.00 1.34 N ATOM 0 H GLN A 54 6.958 2.333 -0.760 1.00 0.23 H new ATOM 0 HA GLN A 54 6.972 5.112 -1.055 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.527 3.036 -3.227 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.207 4.639 -3.425 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.200 4.023 -2.204 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.507 2.481 -1.745 1.00 0.40 H new ATOM 0 HE21 GLN A 54 7.201 2.140 -4.427 1.00 1.34 H new ATOM 0 HE22 GLN A 54 8.510 1.658 -5.511 1.00 1.34 H new ATOM 763 N ALA A 55 4.217 3.543 -1.971 1.00 0.24 N ATOM 764 CA ALA A 55 2.805 3.684 -2.281 1.00 0.25 C ATOM 765 C ALA A 55 2.083 4.454 -1.183 1.00 0.26 C ATOM 766 O ALA A 55 1.202 5.271 -1.454 1.00 0.30 O ATOM 767 CB ALA A 55 2.186 2.310 -2.469 1.00 0.24 C ATOM 0 H ALA A 55 4.533 2.576 -1.902 1.00 0.24 H new ATOM 0 HA ALA A 55 2.702 4.251 -3.206 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.126 2.417 -2.702 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.687 1.794 -3.288 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.300 1.731 -1.552 1.00 0.24 H new ATOM 773 N ALA A 56 2.474 4.195 0.059 1.00 0.26 N ATOM 774 CA ALA A 56 1.927 4.909 1.204 1.00 0.27 C ATOM 775 C ALA A 56 2.250 6.391 1.116 1.00 0.26 C ATOM 776 O ALA A 56 1.492 7.232 1.604 1.00 0.30 O ATOM 777 CB ALA A 56 2.467 4.338 2.505 1.00 0.29 C ATOM 0 H ALA A 56 3.172 3.491 0.299 1.00 0.26 H new ATOM 0 HA ALA A 56 0.844 4.783 1.191 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.045 4.887 3.346 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.191 3.286 2.583 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.553 4.431 2.520 1.00 0.29 H new ATOM 783 N VAL A 57 3.376 6.710 0.489 1.00 0.26 N ATOM 784 CA VAL A 57 3.772 8.094 0.330 1.00 0.27 C ATOM 785 C VAL A 57 2.890 8.790 -0.688 1.00 0.26 C ATOM 786 O VAL A 57 2.433 9.898 -0.450 1.00 0.30 O ATOM 787 CB VAL A 57 5.237 8.267 -0.101 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.557 9.738 -0.144 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.178 7.542 0.836 1.00 0.30 C ATOM 0 H VAL A 57 4.023 6.031 0.087 1.00 0.26 H new ATOM 0 HA VAL A 57 3.657 8.544 1.316 1.00 0.27 H new ATOM 0 HB VAL A 57 5.372 7.830 -1.090 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.594 9.876 -0.449 1.00 0.33 H new ATOM 0 HG12 VAL A 57 4.900 10.233 -0.859 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.409 10.172 0.845 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.206 7.685 0.502 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.065 7.940 1.844 1.00 0.30 H new ATOM 0 HG23 VAL A 57 5.942 6.478 0.837 1.00 0.30 H new ATOM 799 N TYR A 58 2.657 8.139 -1.824 1.00 0.25 N ATOM 800 CA TYR A 58 1.783 8.695 -2.854 1.00 0.27 C ATOM 801 C TYR A 58 0.404 8.975 -2.282 1.00 0.28 C ATOM 802 O TYR A 58 -0.241 9.951 -2.645 1.00 0.29 O ATOM 803 CB TYR A 58 1.672 7.749 -4.042 1.00 0.27 C ATOM 804 CG TYR A 58 2.917 7.697 -4.895 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.145 8.638 -5.884 1.00 0.35 C ATOM 806 CD2 TYR A 58 3.866 6.700 -4.711 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.281 8.589 -6.664 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.004 6.643 -5.487 1.00 0.30 C ATOM 809 CZ TYR A 58 5.207 7.612 -6.465 1.00 0.33 C ATOM 810 OH TYR A 58 6.337 7.539 -7.244 1.00 0.37 O ATOM 0 H TYR A 58 3.059 7.230 -2.055 1.00 0.25 H new ATOM 0 HA TYR A 58 2.221 9.631 -3.199 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.450 6.746 -3.677 1.00 0.27 H new ATOM 0 HB3 TYR A 58 0.830 8.056 -4.662 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.422 9.423 -6.047 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.709 5.955 -3.945 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.436 9.329 -7.436 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.729 5.856 -5.338 1.00 0.30 H new ATOM 0 HH TYR A 58 6.884 6.778 -6.957 1.00 0.37 H new ATOM 820 N PHE A 59 -0.022 8.122 -1.366 1.00 0.30 N ATOM 821 CA PHE A 59 -1.296 8.289 -0.687 1.00 0.32 C ATOM 822 C PHE A 59 -1.333 9.617 0.073 1.00 0.35 C ATOM 823 O PHE A 59 -2.319 10.352 0.015 1.00 0.42 O ATOM 824 CB PHE A 59 -1.519 7.114 0.257 1.00 0.33 C ATOM 825 CG PHE A 59 -2.889 7.089 0.868 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.149 7.790 2.030 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.908 6.352 0.287 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.402 7.756 2.606 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.165 6.317 0.856 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.431 7.068 1.975 1.00 0.47 C ATOM 0 H PHE A 59 0.503 7.298 -1.073 1.00 0.30 H new ATOM 0 HA PHE A 59 -2.098 8.310 -1.424 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.356 6.184 -0.288 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.775 7.152 1.053 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.364 8.370 2.492 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.717 5.799 -0.621 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.582 8.262 3.543 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.938 5.700 0.422 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.437 7.124 2.363 1.00 0.47 H new ATOM 840 N GLU A 60 -0.248 9.923 0.772 1.00 0.34 N ATOM 841 CA GLU A 60 -0.125 11.181 1.502 1.00 0.37 C ATOM 842 C GLU A 60 0.104 12.340 0.537 1.00 0.35 C ATOM 843 O GLU A 60 -0.408 13.444 0.722 1.00 0.41 O ATOM 844 CB GLU A 60 1.036 11.098 2.482 1.00 0.39 C ATOM 845 CG GLU A 60 0.822 10.077 3.582 1.00 0.44 C ATOM 846 CD GLU A 60 -0.387 10.382 4.442 1.00 0.91 C ATOM 847 OE1 GLU A 60 -0.483 11.516 4.955 1.00 1.42 O ATOM 848 OE2 GLU A 60 -1.255 9.496 4.596 1.00 1.07 O ATOM 0 H GLU A 60 0.566 9.313 0.850 1.00 0.34 H new ATOM 0 HA GLU A 60 -1.052 11.356 2.048 1.00 0.37 H new ATOM 0 HB2 GLU A 60 1.946 10.848 1.936 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.193 12.078 2.932 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.705 9.089 3.136 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.710 10.039 4.213 1.00 0.44 H new ATOM 855 N LYS A 61 0.877 12.052 -0.498 1.00 0.32 N ATOM 856 CA LYS A 61 1.248 13.025 -1.511 1.00 0.33 C ATOM 857 C LYS A 61 0.036 13.495 -2.316 1.00 0.35 C ATOM 858 O LYS A 61 0.025 14.606 -2.838 1.00 0.40 O ATOM 859 CB LYS A 61 2.287 12.404 -2.444 1.00 0.33 C ATOM 860 CG LYS A 61 3.717 12.858 -2.172 1.00 0.48 C ATOM 861 CD LYS A 61 4.752 11.969 -2.862 1.00 0.49 C ATOM 862 CE LYS A 61 4.282 11.468 -4.221 1.00 0.36 C ATOM 863 NZ LYS A 61 4.012 12.579 -5.174 1.00 1.10 N ATOM 0 H LYS A 61 1.269 11.124 -0.659 1.00 0.32 H new ATOM 0 HA LYS A 61 1.666 13.899 -1.011 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.238 11.319 -2.354 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.028 12.650 -3.474 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.840 13.886 -2.513 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.898 12.855 -1.097 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.680 12.527 -2.986 1.00 0.49 H new ATOM 0 HD3 LYS A 61 4.977 11.116 -2.222 1.00 0.49 H new ATOM 0 HE2 LYS A 61 5.039 10.807 -4.643 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.377 10.875 -4.093 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 3.036 12.505 -5.525 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 4.138 13.490 -4.689 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 4.674 12.518 -5.974 1.00 1.10 H new ATOM 877 N GLY A 62 -0.982 12.647 -2.408 1.00 0.34 N ATOM 878 CA GLY A 62 -2.171 12.991 -3.169 1.00 0.36 C ATOM 879 C GLY A 62 -2.289 12.184 -4.447 1.00 0.33 C ATOM 880 O GLY A 62 -3.273 12.293 -5.177 1.00 0.35 O ATOM 0 H GLY A 62 -1.006 11.727 -1.969 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.055 12.824 -2.553 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.149 14.053 -3.413 1.00 0.36 H new ATOM 884 N ASP A 63 -1.283 11.366 -4.707 1.00 0.31 N ATOM 885 CA ASP A 63 -1.260 10.506 -5.876 1.00 0.30 C ATOM 886 C ASP A 63 -1.879 9.156 -5.542 1.00 0.27 C ATOM 887 O ASP A 63 -1.174 8.159 -5.369 1.00 0.32 O ATOM 888 CB ASP A 63 0.174 10.311 -6.345 1.00 0.32 C ATOM 889 CG ASP A 63 0.781 11.559 -6.948 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.423 11.913 -8.092 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.629 12.189 -6.284 1.00 1.26 O ATOM 0 H ASP A 63 -0.459 11.280 -4.112 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.838 10.975 -6.672 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.784 9.990 -5.501 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.202 9.509 -7.082 1.00 0.32 H new ATOM 896 N TYR A 64 -3.198 9.128 -5.451 1.00 0.27 N ATOM 897 CA TYR A 64 -3.909 7.938 -5.005 1.00 0.28 C ATOM 898 C TYR A 64 -3.791 6.808 -6.017 1.00 0.29 C ATOM 899 O TYR A 64 -3.665 5.644 -5.642 1.00 0.34 O ATOM 900 CB TYR A 64 -5.380 8.264 -4.728 1.00 0.29 C ATOM 901 CG TYR A 64 -5.555 9.332 -3.674 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.291 9.061 -2.337 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.964 10.614 -4.017 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.432 10.038 -1.371 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.107 11.597 -3.057 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.839 11.305 -1.737 1.00 0.38 C ATOM 907 OH TYR A 64 -5.984 12.282 -0.780 1.00 0.43 O ATOM 0 H TYR A 64 -3.801 9.918 -5.681 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.446 7.601 -4.077 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.855 8.591 -5.653 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.894 7.358 -4.409 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.970 8.071 -2.049 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.174 10.846 -5.051 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.225 9.812 -0.335 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.427 12.589 -3.339 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.276 13.115 -1.205 1.00 0.43 H new ATOM 917 N ASN A 65 -3.798 7.150 -7.297 1.00 0.31 N ATOM 918 CA ASN A 65 -3.726 6.140 -8.345 1.00 0.37 C ATOM 919 C ASN A 65 -2.390 5.409 -8.303 1.00 0.33 C ATOM 920 O ASN A 65 -2.333 4.190 -8.482 1.00 0.34 O ATOM 921 CB ASN A 65 -3.949 6.760 -9.723 1.00 0.47 C ATOM 922 CG ASN A 65 -5.336 7.358 -9.893 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.524 8.297 -10.667 1.00 1.66 O ATOM 924 ND2 ASN A 65 -6.315 6.826 -9.174 1.00 2.18 N ATOM 0 H ASN A 65 -3.852 8.111 -7.634 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.522 5.417 -8.164 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -3.203 7.537 -9.890 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.793 5.998 -10.487 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -7.263 7.194 -9.252 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -6.120 6.048 -8.543 1.00 2.18 H new ATOM 931 N LYS A 66 -1.319 6.149 -8.037 1.00 0.34 N ATOM 932 CA LYS A 66 0.010 5.555 -7.949 1.00 0.32 C ATOM 933 C LYS A 66 0.110 4.633 -6.742 1.00 0.31 C ATOM 934 O LYS A 66 0.845 3.645 -6.765 1.00 0.32 O ATOM 935 CB LYS A 66 1.087 6.622 -7.831 1.00 0.29 C ATOM 936 CG LYS A 66 2.494 6.063 -7.944 1.00 0.40 C ATOM 937 CD LYS A 66 2.771 5.465 -9.309 1.00 0.63 C ATOM 938 CE LYS A 66 4.227 5.052 -9.431 1.00 0.42 C ATOM 939 NZ LYS A 66 4.550 4.548 -10.790 1.00 0.68 N ATOM 0 H LYS A 66 -1.345 7.156 -7.879 1.00 0.34 H new ATOM 0 HA LYS A 66 0.165 4.986 -8.865 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.936 7.370 -8.609 1.00 0.29 H new ATOM 0 HB3 LYS A 66 0.981 7.132 -6.874 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.214 6.857 -7.745 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.641 5.300 -7.180 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.128 4.599 -9.469 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.528 6.191 -10.085 1.00 0.63 H new ATOM 0 HE2 LYS A 66 4.866 5.904 -9.199 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.447 4.278 -8.695 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.553 4.277 -10.830 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.959 3.719 -11.003 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.365 5.294 -11.490 1.00 0.68 H new ATOM 953 N CYS A 67 -0.617 4.967 -5.682 1.00 0.31 N ATOM 954 CA CYS A 67 -0.614 4.150 -4.481 1.00 0.32 C ATOM 955 C CYS A 67 -1.111 2.747 -4.812 1.00 0.36 C ATOM 956 O CYS A 67 -0.513 1.755 -4.398 1.00 0.39 O ATOM 957 CB CYS A 67 -1.473 4.794 -3.389 1.00 0.33 C ATOM 958 SG CYS A 67 -1.501 3.884 -1.827 1.00 1.29 S ATOM 0 H CYS A 67 -1.212 5.794 -5.632 1.00 0.31 H new ATOM 0 HA CYS A 67 0.405 4.078 -4.102 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -1.104 5.802 -3.201 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.494 4.891 -3.757 1.00 0.33 H new ATOM 0 HG CYS A 67 -0.493 4.251 -1.093 1.00 1.29 H new ATOM 964 N ARG A 68 -2.188 2.671 -5.591 1.00 0.38 N ATOM 965 CA ARG A 68 -2.678 1.393 -6.091 1.00 0.45 C ATOM 966 C ARG A 68 -1.635 0.757 -7.003 1.00 0.42 C ATOM 967 O ARG A 68 -1.341 -0.436 -6.893 1.00 0.48 O ATOM 968 CB ARG A 68 -4.012 1.578 -6.838 1.00 0.60 C ATOM 969 CG ARG A 68 -4.469 0.346 -7.617 1.00 1.00 C ATOM 970 CD ARG A 68 -3.928 0.345 -9.041 1.00 1.21 C ATOM 971 NE ARG A 68 -3.892 -0.995 -9.622 1.00 1.92 N ATOM 972 CZ ARG A 68 -3.248 -1.302 -10.746 1.00 2.48 C ATOM 973 NH1 ARG A 68 -2.603 -0.362 -11.428 1.00 2.64 N ATOM 974 NH2 ARG A 68 -3.245 -2.554 -11.184 1.00 3.39 N ATOM 0 H ARG A 68 -2.736 3.479 -5.888 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.854 0.730 -5.244 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.785 1.846 -6.118 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.916 2.416 -7.529 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.136 -0.555 -7.101 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.558 0.315 -7.642 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.548 0.991 -9.663 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -2.923 0.767 -9.045 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.391 -1.741 -9.137 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.599 0.601 -11.091 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.111 -0.603 -12.289 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -3.735 -3.279 -10.660 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -2.752 -2.792 -12.045 1.00 3.39 H new ATOM 988 N GLU A 69 -1.083 1.579 -7.893 1.00 0.38 N ATOM 989 CA GLU A 69 -0.091 1.143 -8.870 1.00 0.37 C ATOM 990 C GLU A 69 1.039 0.362 -8.205 1.00 0.31 C ATOM 991 O GLU A 69 1.352 -0.764 -8.599 1.00 0.34 O ATOM 992 CB GLU A 69 0.476 2.368 -9.598 1.00 0.38 C ATOM 993 CG GLU A 69 1.462 2.032 -10.705 1.00 0.67 C ATOM 994 CD GLU A 69 0.829 1.226 -11.821 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.077 1.753 -12.499 1.00 1.19 O ATOM 996 OE2 GLU A 69 1.240 0.064 -12.028 1.00 2.08 O ATOM 0 H GLU A 69 -1.313 2.571 -7.956 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.578 0.479 -9.584 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.350 2.939 -10.023 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.969 3.013 -8.871 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.871 2.955 -11.115 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.297 1.472 -10.285 1.00 0.67 H new ATOM 1003 N LEU A 70 1.631 0.957 -7.182 1.00 0.24 N ATOM 1004 CA LEU A 70 2.779 0.364 -6.520 1.00 0.21 C ATOM 1005 C LEU A 70 2.380 -0.772 -5.593 1.00 0.22 C ATOM 1006 O LEU A 70 3.105 -1.755 -5.481 1.00 0.23 O ATOM 1007 CB LEU A 70 3.548 1.419 -5.737 1.00 0.20 C ATOM 1008 CG LEU A 70 4.242 2.481 -6.580 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.979 3.444 -5.680 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.200 1.842 -7.573 1.00 0.24 C ATOM 0 H LEU A 70 1.334 1.852 -6.792 1.00 0.24 H new ATOM 0 HA LEU A 70 3.419 -0.049 -7.300 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.858 1.915 -5.054 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.298 0.918 -5.125 1.00 0.20 H new ATOM 0 HG LEU A 70 3.487 3.028 -7.145 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.474 4.202 -6.286 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.271 3.925 -5.004 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.724 2.901 -5.099 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.684 2.620 -8.164 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.957 1.272 -7.034 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.647 1.175 -8.234 1.00 0.24 H new ATOM 1022 N CYS A 71 1.240 -0.648 -4.926 1.00 0.24 N ATOM 1023 CA CYS A 71 0.805 -1.689 -4.005 1.00 0.25 C ATOM 1024 C CYS A 71 0.574 -3.004 -4.737 1.00 0.24 C ATOM 1025 O CYS A 71 1.057 -4.040 -4.300 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.450 -1.272 -3.245 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.189 0.050 -2.042 1.00 1.10 S ATOM 0 H CYS A 71 0.609 0.150 -5.003 1.00 0.24 H new ATOM 0 HA CYS A 71 1.604 -1.836 -3.278 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.204 -0.950 -3.963 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.853 -2.143 -2.728 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.487 1.194 -2.583 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.135 -2.959 -5.862 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.382 -4.167 -6.643 1.00 0.26 C ATOM 1035 C GLU A 72 0.919 -4.713 -7.227 1.00 0.23 C ATOM 1036 O GLU A 72 1.091 -5.923 -7.346 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.386 -3.897 -7.758 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.678 -4.678 -7.603 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.620 -4.484 -8.769 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -4.419 -3.523 -8.737 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -3.577 -5.287 -9.721 1.00 1.68 O ATOM 0 H GLU A 72 -0.544 -2.109 -6.250 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.802 -4.917 -5.973 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.614 -2.831 -7.782 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -0.931 -4.147 -8.716 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.447 -5.738 -7.500 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.176 -4.370 -6.684 1.00 0.87 H new ATOM 1048 N LYS A 73 1.832 -3.814 -7.582 1.00 0.23 N ATOM 1049 CA LYS A 73 3.158 -4.210 -8.051 1.00 0.23 C ATOM 1050 C LYS A 73 3.902 -4.941 -6.943 1.00 0.20 C ATOM 1051 O LYS A 73 4.432 -6.032 -7.150 1.00 0.21 O ATOM 1052 CB LYS A 73 3.962 -2.978 -8.495 1.00 0.27 C ATOM 1053 CG LYS A 73 5.454 -3.236 -8.715 1.00 0.33 C ATOM 1054 CD LYS A 73 5.780 -3.728 -10.122 1.00 0.57 C ATOM 1055 CE LYS A 73 5.218 -5.113 -10.409 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.675 -5.632 -11.727 1.00 1.23 N ATOM 0 H LYS A 73 1.679 -2.806 -7.554 1.00 0.23 H new ATOM 0 HA LYS A 73 3.040 -4.876 -8.906 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.533 -2.595 -9.421 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.849 -2.197 -7.744 1.00 0.27 H new ATOM 0 HG2 LYS A 73 6.007 -2.317 -8.522 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.799 -3.974 -7.991 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.382 -3.021 -10.850 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.862 -3.746 -10.254 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.525 -5.801 -9.621 1.00 0.60 H new ATOM 0 HE3 LYS A 73 4.129 -5.074 -10.391 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.272 -6.577 -11.887 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 5.360 -4.989 -12.481 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.713 -5.693 -11.735 1.00 1.23 H new ATOM 1070 N ALA A 74 3.920 -4.332 -5.766 1.00 0.19 N ATOM 1071 CA ALA A 74 4.551 -4.921 -4.600 1.00 0.17 C ATOM 1072 C ALA A 74 3.902 -6.244 -4.253 1.00 0.16 C ATOM 1073 O ALA A 74 4.585 -7.207 -3.936 1.00 0.16 O ATOM 1074 CB ALA A 74 4.474 -3.964 -3.425 1.00 0.18 C ATOM 0 H ALA A 74 3.498 -3.419 -5.596 1.00 0.19 H new ATOM 0 HA ALA A 74 5.600 -5.108 -4.829 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.951 -4.416 -2.555 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.986 -3.036 -3.678 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.430 -3.751 -3.197 1.00 0.18 H new ATOM 1080 N ILE A 75 2.582 -6.286 -4.321 1.00 0.16 N ATOM 1081 CA ILE A 75 1.845 -7.510 -4.061 1.00 0.16 C ATOM 1082 C ILE A 75 2.208 -8.580 -5.075 1.00 0.17 C ATOM 1083 O ILE A 75 2.406 -9.736 -4.714 1.00 0.18 O ATOM 1084 CB ILE A 75 0.326 -7.268 -4.073 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.067 -6.409 -2.877 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.438 -8.580 -4.059 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.554 -6.212 -2.741 1.00 0.23 C ATOM 0 H ILE A 75 1.998 -5.483 -4.555 1.00 0.16 H new ATOM 0 HA ILE A 75 2.126 -7.854 -3.066 1.00 0.16 H new ATOM 0 HB ILE A 75 0.066 -6.743 -4.992 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.315 -6.871 -1.967 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.414 -5.435 -2.966 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.509 -8.377 -4.068 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.172 -9.165 -4.939 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.182 -9.140 -3.160 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.761 -5.591 -1.869 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.939 -5.722 -3.635 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.040 -7.180 -2.620 1.00 0.23 H new ATOM 1099 N GLU A 76 2.308 -8.188 -6.335 1.00 0.18 N ATOM 1100 CA GLU A 76 2.717 -9.108 -7.385 1.00 0.21 C ATOM 1101 C GLU A 76 4.091 -9.688 -7.052 1.00 0.20 C ATOM 1102 O GLU A 76 4.312 -10.895 -7.142 1.00 0.24 O ATOM 1103 CB GLU A 76 2.767 -8.378 -8.727 1.00 0.24 C ATOM 1104 CG GLU A 76 2.790 -9.304 -9.927 1.00 0.77 C ATOM 1105 CD GLU A 76 1.494 -10.067 -10.082 1.00 1.47 C ATOM 1106 OE1 GLU A 76 0.477 -9.442 -10.443 1.00 1.62 O ATOM 1107 OE2 GLU A 76 1.480 -11.293 -9.848 1.00 2.35 O ATOM 0 H GLU A 76 2.112 -7.240 -6.656 1.00 0.18 H new ATOM 0 HA GLU A 76 1.993 -9.920 -7.454 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.902 -7.720 -8.804 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.653 -7.744 -8.752 1.00 0.24 H new ATOM 0 HG2 GLU A 76 2.978 -8.722 -10.830 1.00 0.77 H new ATOM 0 HG3 GLU A 76 3.615 -10.009 -9.825 1.00 0.77 H new ATOM 1114 N VAL A 77 4.987 -8.803 -6.638 1.00 0.21 N ATOM 1115 CA VAL A 77 6.344 -9.162 -6.238 1.00 0.22 C ATOM 1116 C VAL A 77 6.349 -10.065 -5.004 1.00 0.21 C ATOM 1117 O VAL A 77 7.015 -11.099 -4.986 1.00 0.24 O ATOM 1118 CB VAL A 77 7.152 -7.875 -5.940 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.450 -8.173 -5.207 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.430 -7.107 -7.223 1.00 0.25 C ATOM 0 H VAL A 77 4.792 -7.804 -6.569 1.00 0.21 H new ATOM 0 HA VAL A 77 6.802 -9.713 -7.059 1.00 0.22 H new ATOM 0 HB VAL A 77 6.541 -7.256 -5.283 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.984 -7.241 -5.019 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.228 -8.662 -4.258 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.070 -8.830 -5.817 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.999 -6.206 -6.992 1.00 0.25 H new ATOM 0 HG22 VAL A 77 8.004 -7.734 -7.905 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.486 -6.830 -7.693 1.00 0.25 H new ATOM 1130 N GLY A 78 5.603 -9.670 -3.984 1.00 0.19 N ATOM 1131 CA GLY A 78 5.579 -10.412 -2.737 1.00 0.21 C ATOM 1132 C GLY A 78 4.915 -11.762 -2.883 1.00 0.21 C ATOM 1133 O GLY A 78 5.440 -12.774 -2.425 1.00 0.27 O ATOM 0 H GLY A 78 5.008 -8.842 -3.997 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.599 -10.549 -2.379 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.051 -9.830 -1.981 1.00 0.21 H new ATOM 1137 N ARG A 79 3.768 -11.777 -3.539 1.00 0.21 N ATOM 1138 CA ARG A 79 3.034 -13.009 -3.793 1.00 0.28 C ATOM 1139 C ARG A 79 3.894 -13.953 -4.628 1.00 0.28 C ATOM 1140 O ARG A 79 3.826 -15.175 -4.488 1.00 0.33 O ATOM 1141 CB ARG A 79 1.724 -12.665 -4.510 1.00 0.39 C ATOM 1142 CG ARG A 79 0.725 -13.802 -4.616 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.646 -13.266 -5.007 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.619 -14.328 -5.253 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.830 -14.125 -5.776 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.219 -12.899 -6.112 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.653 -15.148 -5.965 1.00 2.63 N ATOM 0 H ARG A 79 3.319 -10.940 -3.910 1.00 0.21 H new ATOM 0 HA ARG A 79 2.797 -13.513 -2.856 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.250 -11.834 -3.987 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.960 -12.316 -5.515 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.065 -14.526 -5.357 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.659 -14.328 -3.663 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -1.017 -12.616 -4.214 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.550 -12.653 -5.903 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.357 -15.283 -5.010 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.591 -12.108 -5.970 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.146 -12.749 -6.511 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.361 -16.091 -5.710 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.578 -14.991 -6.365 1.00 2.63 H new ATOM 1161 N GLU A 80 4.731 -13.357 -5.468 1.00 0.27 N ATOM 1162 CA GLU A 80 5.686 -14.092 -6.284 1.00 0.32 C ATOM 1163 C GLU A 80 6.814 -14.660 -5.425 1.00 0.31 C ATOM 1164 O GLU A 80 7.107 -15.855 -5.468 1.00 0.37 O ATOM 1165 CB GLU A 80 6.271 -13.155 -7.343 1.00 0.36 C ATOM 1166 CG GLU A 80 7.324 -13.796 -8.221 1.00 0.57 C ATOM 1167 CD GLU A 80 7.651 -12.956 -9.434 1.00 1.18 C ATOM 1168 OE1 GLU A 80 6.996 -13.134 -10.480 1.00 1.22 O ATOM 1169 OE2 GLU A 80 8.559 -12.105 -9.341 1.00 1.96 O ATOM 0 H GLU A 80 4.766 -12.346 -5.602 1.00 0.27 H new ATOM 0 HA GLU A 80 5.168 -14.922 -6.764 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.462 -12.787 -7.974 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.706 -12.288 -6.845 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.231 -13.956 -7.638 1.00 0.57 H new ATOM 0 HG3 GLU A 80 6.976 -14.777 -8.545 1.00 0.57 H new ATOM 1176 N ASN A 81 7.422 -13.792 -4.629 1.00 0.29 N ATOM 1177 CA ASN A 81 8.632 -14.126 -3.882 1.00 0.35 C ATOM 1178 C ASN A 81 8.310 -14.767 -2.527 1.00 0.35 C ATOM 1179 O ASN A 81 9.179 -14.902 -1.665 1.00 0.49 O ATOM 1180 CB ASN A 81 9.473 -12.859 -3.709 1.00 0.40 C ATOM 1181 CG ASN A 81 10.876 -13.118 -3.187 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.133 -13.045 -1.984 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.796 -13.415 -4.090 1.00 1.13 N ATOM 0 H ASN A 81 7.093 -12.838 -4.481 1.00 0.29 H new ATOM 0 HA ASN A 81 9.199 -14.867 -4.445 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.542 -12.347 -4.669 1.00 0.40 H new ATOM 0 HB3 ASN A 81 8.960 -12.185 -3.024 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.757 -13.593 -3.799 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.544 -13.466 -5.077 1.00 1.13 H new ATOM 1190 N ARG A 82 7.049 -15.171 -2.356 1.00 0.32 N ATOM 1191 CA ARG A 82 6.598 -15.844 -1.133 1.00 0.37 C ATOM 1192 C ARG A 82 6.789 -14.939 0.080 1.00 0.32 C ATOM 1193 O ARG A 82 7.324 -15.355 1.108 1.00 0.38 O ATOM 1194 CB ARG A 82 7.356 -17.160 -0.927 1.00 0.47 C ATOM 1195 CG ARG A 82 7.154 -18.185 -2.036 1.00 1.04 C ATOM 1196 CD ARG A 82 5.749 -18.771 -2.030 1.00 1.99 C ATOM 1197 NE ARG A 82 4.760 -17.891 -2.656 1.00 2.83 N ATOM 1198 CZ ARG A 82 3.447 -18.120 -2.631 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.965 -19.161 -1.963 1.00 4.01 N ATOM 1200 NH2 ARG A 82 2.617 -17.307 -3.270 1.00 4.67 N ATOM 0 H ARG A 82 6.316 -15.043 -3.054 1.00 0.32 H new ATOM 0 HA ARG A 82 5.536 -16.065 -1.243 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.420 -16.942 -0.840 1.00 0.47 H new ATOM 0 HB3 ARG A 82 7.043 -17.601 0.019 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.346 -17.716 -3.001 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.881 -18.989 -1.922 1.00 1.04 H new ATOM 0 HD2 ARG A 82 5.758 -19.728 -2.552 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.449 -18.972 -1.001 1.00 1.99 H new ATOM 0 HE ARG A 82 5.094 -17.057 -3.138 1.00 2.83 H new ATOM 0 HH11 ARG A 82 3.600 -19.787 -1.468 1.00 4.01 H new ATOM 0 HH12 ARG A 82 1.960 -19.335 -1.945 1.00 4.01 H new ATOM 0 HH21 ARG A 82 2.983 -16.504 -3.782 1.00 4.67 H new ATOM 0 HH22 ARG A 82 1.613 -17.484 -3.249 1.00 4.67 H new ATOM 1214 N GLU A 83 6.357 -13.698 -0.058 1.00 0.27 N ATOM 1215 CA GLU A 83 6.518 -12.702 0.988 1.00 0.27 C ATOM 1216 C GLU A 83 5.269 -12.642 1.868 1.00 0.25 C ATOM 1217 O GLU A 83 4.227 -13.201 1.519 1.00 0.25 O ATOM 1218 CB GLU A 83 6.810 -11.335 0.354 1.00 0.28 C ATOM 1219 CG GLU A 83 7.199 -10.246 1.344 1.00 0.43 C ATOM 1220 CD GLU A 83 8.327 -10.659 2.269 1.00 0.94 C ATOM 1221 OE1 GLU A 83 8.045 -11.223 3.346 1.00 1.60 O ATOM 1222 OE2 GLU A 83 9.504 -10.437 1.914 1.00 1.15 O ATOM 0 H GLU A 83 5.886 -13.353 -0.894 1.00 0.27 H new ATOM 0 HA GLU A 83 7.359 -12.981 1.623 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.614 -11.451 -0.373 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.928 -11.009 -0.196 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.496 -9.353 0.794 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.327 -9.978 1.941 1.00 0.43 H new ATOM 1229 N ASP A 84 5.409 -11.975 3.013 1.00 0.26 N ATOM 1230 CA ASP A 84 4.344 -11.826 4.004 1.00 0.26 C ATOM 1231 C ASP A 84 3.026 -11.397 3.363 1.00 0.25 C ATOM 1232 O ASP A 84 2.879 -10.255 2.926 1.00 0.26 O ATOM 1233 CB ASP A 84 4.766 -10.798 5.058 1.00 0.29 C ATOM 1234 CG ASP A 84 3.824 -10.761 6.244 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.828 -11.717 7.048 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.080 -9.778 6.383 1.00 0.68 O ATOM 0 H ASP A 84 6.279 -11.516 3.282 1.00 0.26 H new ATOM 0 HA ASP A 84 4.183 -12.797 4.472 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.773 -11.031 5.405 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.807 -9.810 4.600 1.00 0.29 H new ATOM 1241 N TYR A 85 2.067 -12.318 3.315 1.00 0.26 N ATOM 1242 CA TYR A 85 0.766 -12.036 2.716 1.00 0.26 C ATOM 1243 C TYR A 85 -0.023 -11.053 3.573 1.00 0.27 C ATOM 1244 O TYR A 85 -0.951 -10.403 3.102 1.00 0.26 O ATOM 1245 CB TYR A 85 -0.037 -13.325 2.515 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.406 -14.038 3.803 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.380 -13.523 4.648 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.211 -15.224 4.167 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.724 -14.163 5.817 1.00 0.37 C ATOM 1250 CE2 TYR A 85 -0.129 -15.875 5.338 1.00 0.37 C ATOM 1251 CZ TYR A 85 -1.099 -15.339 6.161 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.451 -15.983 7.327 1.00 0.44 O ATOM 0 H TYR A 85 2.166 -13.264 3.683 1.00 0.26 H new ATOM 0 HA TYR A 85 0.941 -11.584 1.740 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.951 -13.089 1.970 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.541 -14.005 1.889 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.878 -12.602 4.383 1.00 0.34 H new ATOM 0 HD2 TYR A 85 0.970 -15.647 3.525 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.482 -13.743 6.462 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.362 -16.798 5.608 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.918 -16.800 7.424 1.00 0.44 H new ATOM 1262 N ARG A 86 0.341 -10.969 4.844 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.290 -10.032 5.756 1.00 0.33 C ATOM 1264 C ARG A 86 0.028 -8.614 5.304 1.00 0.32 C ATOM 1265 O ARG A 86 -0.848 -7.755 5.231 1.00 0.32 O ATOM 1266 CB ARG A 86 0.214 -10.267 7.163 1.00 0.40 C ATOM 1267 CG ARG A 86 0.046 -11.695 7.618 1.00 0.44 C ATOM 1268 CD ARG A 86 0.488 -11.836 9.047 1.00 0.55 C ATOM 1269 NE ARG A 86 1.904 -11.510 9.205 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.468 -11.172 10.359 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.744 -11.122 11.471 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.759 -10.884 10.397 1.00 3.04 N ATOM 0 H ARG A 86 1.072 -11.541 5.266 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.370 -10.177 5.751 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.269 -9.996 7.215 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.318 -9.608 7.849 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.997 -11.996 7.520 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.630 -12.359 6.981 1.00 0.44 H new ATOM 0 HD2 ARG A 86 -0.110 -11.181 9.680 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.309 -12.857 9.385 1.00 0.55 H new ATOM 0 HE ARG A 86 2.497 -11.544 8.376 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.749 -11.344 11.442 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.183 -10.862 12.354 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.315 -10.922 9.543 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.198 -10.624 11.280 1.00 3.04 H new ATOM 1286 N GLN A 87 1.303 -8.411 4.997 1.00 0.33 N ATOM 1287 CA GLN A 87 1.806 -7.184 4.396 1.00 0.33 C ATOM 1288 C GLN A 87 1.100 -6.923 3.065 1.00 0.28 C ATOM 1289 O GLN A 87 0.760 -5.786 2.739 1.00 0.28 O ATOM 1290 CB GLN A 87 3.319 -7.339 4.192 1.00 0.39 C ATOM 1291 CG GLN A 87 4.043 -6.097 3.706 1.00 0.49 C ATOM 1292 CD GLN A 87 3.980 -4.942 4.690 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.936 -5.141 5.906 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.978 -3.722 4.172 1.00 1.46 N ATOM 0 H GLN A 87 2.029 -9.108 5.162 1.00 0.33 H new ATOM 0 HA GLN A 87 1.609 -6.332 5.047 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.765 -7.652 5.136 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.491 -8.142 3.476 1.00 0.39 H new ATOM 0 HG2 GLN A 87 5.087 -6.345 3.514 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.611 -5.781 2.757 1.00 0.49 H new ATOM 0 HE21 GLN A 87 4.015 -3.597 3.160 1.00 1.46 H new ATOM 0 HE22 GLN A 87 3.939 -2.908 4.785 1.00 1.46 H new ATOM 1303 N ILE A 88 0.877 -7.997 2.309 1.00 0.25 N ATOM 1304 CA ILE A 88 0.106 -7.937 1.068 1.00 0.22 C ATOM 1305 C ILE A 88 -1.303 -7.419 1.318 1.00 0.20 C ATOM 1306 O ILE A 88 -1.803 -6.576 0.578 1.00 0.20 O ATOM 1307 CB ILE A 88 0.045 -9.323 0.384 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.311 -9.540 -0.420 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.174 -9.460 -0.508 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.446 -10.909 -1.019 1.00 0.23 C ATOM 0 H ILE A 88 1.224 -8.929 2.538 1.00 0.25 H new ATOM 0 HA ILE A 88 0.617 -7.241 0.402 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.037 -10.084 1.161 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.347 -8.802 -1.222 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.171 -9.353 0.224 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.178 -10.448 -0.969 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.077 -9.334 0.089 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.143 -8.697 -1.286 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.381 -10.972 -1.576 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.446 -11.655 -0.225 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.609 -11.096 -1.692 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.934 -7.916 2.365 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.266 -7.470 2.723 1.00 0.21 C ATOM 1324 C ALA A 89 -3.256 -5.992 3.092 1.00 0.22 C ATOM 1325 O ALA A 89 -4.186 -5.256 2.768 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.812 -8.307 3.861 1.00 0.24 C ATOM 0 H ALA A 89 -1.545 -8.629 2.982 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.919 -7.597 1.860 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.813 -7.961 4.119 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.857 -9.352 3.555 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.160 -8.211 4.729 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.193 -5.549 3.754 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.051 -4.138 4.087 1.00 0.27 C ATOM 1334 C LYS A 90 -1.877 -3.330 2.804 1.00 0.24 C ATOM 1335 O LYS A 90 -2.348 -2.198 2.696 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.859 -3.901 5.024 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.784 -4.866 6.204 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.083 -4.925 7.003 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.388 -3.610 7.704 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.600 -3.712 8.560 1.00 1.26 N ATOM 0 H LYS A 90 -1.424 -6.141 4.068 1.00 0.24 H new ATOM 0 HA LYS A 90 -2.952 -3.815 4.608 1.00 0.27 H new ATOM 0 HB2 LYS A 90 0.062 -3.979 4.447 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.910 -2.882 5.406 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.543 -5.864 5.837 1.00 0.46 H new ATOM 0 HG3 LYS A 90 0.030 -4.564 6.864 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -2.907 -5.178 6.336 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.016 -5.722 7.743 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -1.534 -3.317 8.315 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -2.532 -2.826 6.961 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -3.777 -2.797 9.022 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -4.419 -3.968 7.973 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.452 -4.443 9.285 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.202 -3.934 1.831 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.050 -3.338 0.512 1.00 0.22 C ATOM 1356 C ALA A 91 -2.402 -3.246 -0.187 1.00 0.19 C ATOM 1357 O ALA A 91 -2.737 -2.214 -0.766 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.057 -4.139 -0.326 1.00 0.22 C ATOM 0 H ALA A 91 -0.749 -4.842 1.935 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.657 -2.328 0.629 1.00 0.22 H new ATOM 0 HB1 ALA A 91 0.044 -3.679 -1.309 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.913 -4.150 0.171 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.418 -5.161 -0.439 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.181 -4.324 -0.111 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.536 -4.336 -0.660 1.00 0.16 C ATOM 1366 C TYR A 92 -5.384 -3.257 -0.027 1.00 0.16 C ATOM 1367 O TYR A 92 -6.177 -2.599 -0.700 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.218 -5.683 -0.434 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.878 -6.742 -1.448 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.197 -6.580 -2.790 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.249 -7.911 -1.061 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.896 -7.561 -3.717 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.948 -8.895 -1.976 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.273 -8.719 -3.303 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.981 -9.709 -4.214 1.00 0.24 O ATOM 0 H TYR A 92 -2.897 -5.201 0.326 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.444 -4.154 -1.731 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.948 -6.049 0.557 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.298 -5.532 -0.435 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.688 -5.674 -3.114 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.989 -8.055 -0.023 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.147 -7.421 -4.758 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.458 -9.802 -1.654 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.542 -10.456 -3.756 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.219 -3.083 1.271 1.00 0.20 N ATOM 1386 CA ALA A 93 -5.986 -2.098 1.998 1.00 0.21 C ATOM 1387 C ALA A 93 -5.634 -0.694 1.542 1.00 0.23 C ATOM 1388 O ALA A 93 -6.502 0.164 1.474 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.782 -2.253 3.492 1.00 0.25 C ATOM 0 H ALA A 93 -4.559 -3.613 1.841 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.042 -2.264 1.784 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.369 -1.501 4.019 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.104 -3.247 3.802 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.726 -2.122 3.731 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.364 -0.464 1.216 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.947 0.823 0.672 1.00 0.27 C ATOM 1397 C ARG A 94 -4.478 0.999 -0.740 1.00 0.24 C ATOM 1398 O ARG A 94 -4.875 2.098 -1.127 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.425 0.976 0.675 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.839 1.193 2.055 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.410 1.709 1.980 1.00 0.53 C ATOM 1402 NE ARG A 94 0.133 1.965 3.314 1.00 0.72 N ATOM 1403 CZ ARG A 94 1.069 1.226 3.909 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.620 0.192 3.278 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.463 1.535 5.138 1.00 0.88 N ATOM 0 H ARG A 94 -3.613 -1.146 1.318 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.364 1.597 1.316 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -1.978 0.084 0.236 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.152 1.817 0.037 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.455 1.904 2.605 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -1.860 0.256 2.612 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.215 0.980 1.464 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.383 2.626 1.392 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.232 2.768 3.826 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.327 -0.042 2.329 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.336 -0.367 3.743 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.050 2.333 5.620 1.00 0.88 H new ATOM 0 HH22 ARG A 94 2.179 0.974 5.600 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.486 -0.083 -1.506 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.085 -0.068 -2.831 1.00 0.21 C ATOM 1421 C ILE A 95 -6.542 0.348 -2.725 1.00 0.20 C ATOM 1422 O ILE A 95 -6.963 1.332 -3.330 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.997 -1.446 -3.515 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.540 -1.833 -3.725 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.732 -1.433 -4.844 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.349 -3.196 -4.344 1.00 0.22 C ATOM 0 H ILE A 95 -4.085 -0.980 -1.232 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.530 0.646 -3.439 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.471 -2.184 -2.867 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.065 -1.087 -4.362 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.026 -1.807 -2.764 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.658 -2.415 -5.311 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.781 -1.189 -4.677 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.285 -0.685 -5.499 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.284 -3.397 -4.460 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.793 -3.954 -3.699 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.832 -3.223 -5.321 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.293 -0.383 -1.918 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.679 -0.050 -1.706 1.00 0.18 C ATOM 1440 C GLY A 96 -8.845 1.316 -1.074 1.00 0.20 C ATOM 1441 O GLY A 96 -9.824 2.006 -1.325 1.00 0.23 O ATOM 0 H GLY A 96 -6.964 -1.202 -1.406 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.208 -0.075 -2.659 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.139 -0.803 -1.067 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.877 1.709 -0.257 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.930 2.988 0.441 1.00 0.25 C ATOM 1447 C ASN A 97 -7.719 4.142 -0.530 1.00 0.25 C ATOM 1448 O ASN A 97 -8.340 5.190 -0.395 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.886 3.030 1.561 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.215 4.023 2.665 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -6.317 4.566 3.303 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.496 4.246 2.923 1.00 1.64 N ATOM 0 H ASN A 97 -7.042 1.158 -0.060 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.919 3.094 0.886 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.792 2.035 1.996 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -5.916 3.284 1.133 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -8.762 4.886 3.672 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -9.216 3.778 2.373 1.00 1.64 H new ATOM 1459 N SER A 98 -6.849 3.943 -1.516 1.00 0.26 N ATOM 1460 CA SER A 98 -6.621 4.957 -2.536 1.00 0.29 C ATOM 1461 C SER A 98 -7.892 5.157 -3.360 1.00 0.29 C ATOM 1462 O SER A 98 -8.297 6.286 -3.637 1.00 0.32 O ATOM 1463 CB SER A 98 -5.440 4.567 -3.435 1.00 0.32 C ATOM 1464 OG SER A 98 -5.734 3.438 -4.243 1.00 0.94 O ATOM 0 H SER A 98 -6.295 3.094 -1.629 1.00 0.26 H new ATOM 0 HA SER A 98 -6.370 5.899 -2.048 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.177 5.410 -4.073 1.00 0.32 H new ATOM 0 HB3 SER A 98 -4.569 4.352 -2.816 1.00 0.32 H new ATOM 0 HG SER A 98 -5.988 2.684 -3.671 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.530 4.045 -3.720 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.816 4.081 -4.402 1.00 0.29 C ATOM 1472 C TYR A 99 -10.864 4.736 -3.506 1.00 0.28 C ATOM 1473 O TYR A 99 -11.682 5.534 -3.956 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.275 2.666 -4.765 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.544 2.041 -5.930 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.715 2.516 -7.220 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.665 0.991 -5.731 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -9.027 1.960 -8.280 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.975 0.426 -6.778 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.246 0.865 -8.086 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.461 0.361 -9.109 1.00 0.43 O ATOM 0 H TYR A 99 -8.173 3.105 -3.548 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.701 4.662 -5.317 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.153 2.025 -3.892 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.340 2.693 -4.995 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.397 3.334 -7.399 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.518 0.607 -4.732 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.110 2.396 -9.265 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.237 -0.342 -6.598 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.192 1.091 -9.705 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.811 4.379 -2.233 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.704 4.905 -1.205 1.00 0.27 C ATOM 1493 C PHE A 100 -11.620 6.432 -1.135 1.00 0.32 C ATOM 1494 O PHE A 100 -12.628 7.112 -0.951 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.303 4.261 0.127 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.152 4.578 1.328 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.302 3.849 1.585 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.771 5.560 2.228 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.061 4.099 2.711 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.521 5.808 3.362 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.668 5.077 3.603 1.00 0.37 C ATOM 0 H PHE A 100 -10.135 3.704 -1.876 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.740 4.663 -1.440 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.300 3.179 -0.008 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.278 4.557 0.350 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.608 3.076 0.896 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.878 6.138 2.041 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -14.961 3.530 2.894 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.211 6.572 4.059 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.256 5.270 4.488 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.420 6.968 -1.316 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.222 8.412 -1.282 1.00 0.38 C ATOM 1513 C LYS A 101 -10.595 9.047 -2.618 1.00 0.41 C ATOM 1514 O LYS A 101 -10.932 10.228 -2.679 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.766 8.761 -0.948 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.247 8.132 0.338 1.00 0.57 C ATOM 1517 CD LYS A 101 -9.097 8.503 1.547 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.974 9.979 1.888 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.878 10.370 3.001 1.00 0.74 N ATOM 0 H LYS A 101 -9.572 6.428 -1.487 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.873 8.809 -0.503 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.130 8.444 -1.775 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.673 9.844 -0.871 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.229 7.048 0.228 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.219 8.452 0.507 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -10.141 8.262 1.346 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.791 7.904 2.405 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.943 10.203 2.162 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.206 10.576 1.006 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.763 11.384 3.202 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.864 10.180 2.730 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.640 9.820 3.851 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.535 8.265 -3.687 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.776 8.795 -5.021 1.00 0.40 C ATOM 1535 C GLU A 102 -12.226 8.558 -5.459 1.00 0.39 C ATOM 1536 O GLU A 102 -12.599 8.860 -6.596 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.789 8.186 -6.013 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.302 6.962 -6.742 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.346 6.504 -7.825 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.272 7.182 -8.876 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.662 5.482 -7.635 1.00 0.45 O ATOM 0 H GLU A 102 -10.323 7.268 -3.657 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.619 9.873 -4.998 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.519 8.944 -6.748 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.876 7.919 -5.480 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.456 6.153 -6.028 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.273 7.184 -7.185 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.021 8.006 -4.539 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.456 7.768 -4.743 1.00 0.35 C ATOM 1550 C GLU A 103 -14.705 6.555 -5.653 1.00 0.35 C ATOM 1551 O GLU A 103 -15.795 6.385 -6.200 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.153 9.020 -5.299 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.660 9.029 -5.097 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.342 10.156 -5.840 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.390 11.286 -5.313 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.839 9.913 -6.962 1.00 1.47 O ATOM 0 H GLU A 103 -12.686 7.708 -3.623 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.888 7.544 -3.768 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.727 9.903 -4.822 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.939 9.100 -6.365 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -17.073 8.077 -5.431 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.879 9.116 -4.033 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.698 5.703 -5.796 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.851 4.444 -6.517 1.00 0.31 C ATOM 1565 C LYS A 104 -14.090 3.310 -5.533 1.00 0.28 C ATOM 1566 O LYS A 104 -13.348 2.330 -5.489 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.619 4.148 -7.366 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.586 4.902 -8.681 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.495 4.385 -9.602 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.514 5.102 -10.943 1.00 1.11 C ATOM 1571 NZ LYS A 104 -12.834 4.983 -11.619 1.00 1.89 N ATOM 0 H LYS A 104 -12.763 5.861 -5.421 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.710 4.532 -7.182 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.726 4.397 -6.793 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.579 3.078 -7.570 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.553 4.811 -9.176 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.426 5.963 -8.488 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.523 4.521 -9.129 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.626 3.314 -9.758 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.276 6.155 -10.794 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -10.738 4.688 -11.587 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -12.690 4.850 -12.640 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -13.349 4.166 -11.233 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -13.386 5.849 -11.457 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.143 3.458 -4.754 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.464 2.528 -3.677 1.00 0.25 C ATOM 1587 C TYR A 105 -15.733 1.118 -4.192 1.00 0.26 C ATOM 1588 O TYR A 105 -15.456 0.144 -3.495 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.666 3.041 -2.894 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.428 4.400 -2.286 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.576 4.556 -1.204 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.077 5.521 -2.782 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.375 5.795 -0.632 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.886 6.760 -2.216 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.947 6.905 -1.195 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.852 8.134 -0.568 1.00 0.46 O ATOM 0 H TYR A 105 -15.806 4.228 -4.846 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.595 2.470 -3.022 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.531 3.090 -3.555 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.909 2.331 -2.103 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.062 3.695 -0.803 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.743 5.419 -3.626 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.769 5.890 0.257 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.457 7.611 -2.558 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.313 8.812 -1.105 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.257 1.007 -5.406 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.503 -0.303 -6.005 1.00 0.35 C ATOM 1608 C LYS A 106 -15.201 -1.087 -6.112 1.00 0.31 C ATOM 1609 O LYS A 106 -15.156 -2.291 -5.848 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.137 -0.159 -7.389 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.466 0.568 -7.370 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.104 0.600 -8.745 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.424 1.351 -8.724 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.113 1.293 -10.036 1.00 1.57 N ATOM 0 H LYS A 106 -16.519 1.799 -5.993 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.196 -0.845 -5.361 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.448 0.376 -8.042 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.280 -1.150 -7.820 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.140 0.078 -6.667 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.319 1.587 -7.013 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.424 1.075 -9.453 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.268 -0.419 -9.096 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -21.070 0.928 -7.955 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.246 2.392 -8.453 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.010 1.817 -9.981 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -20.507 1.720 -10.766 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.306 0.301 -10.283 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.139 -0.389 -6.487 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.819 -0.993 -6.576 1.00 0.29 C ATOM 1630 C ASP A 107 -12.193 -1.077 -5.192 1.00 0.23 C ATOM 1631 O ASP A 107 -11.409 -1.981 -4.906 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.917 -0.188 -7.514 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.315 -0.323 -8.969 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -13.202 0.434 -9.418 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.746 -1.189 -9.672 1.00 0.67 O ATOM 0 H ASP A 107 -14.167 0.600 -6.735 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.925 -1.999 -6.982 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.950 0.864 -7.229 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.886 -0.519 -7.392 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.565 -0.136 -4.333 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.089 -0.111 -2.956 1.00 0.18 C ATOM 1642 C ALA A 108 -12.471 -1.398 -2.245 1.00 0.16 C ATOM 1643 O ALA A 108 -11.610 -2.133 -1.768 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.655 1.094 -2.209 1.00 0.18 C ATOM 0 H ALA A 108 -13.201 0.626 -4.569 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.002 -0.025 -2.970 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.286 1.092 -1.183 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.340 2.011 -2.706 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.744 1.040 -2.203 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.768 -1.670 -2.216 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.311 -2.864 -1.577 1.00 0.18 C ATOM 1652 C ILE A 109 -13.752 -4.128 -2.215 1.00 0.19 C ATOM 1653 O ILE A 109 -13.527 -5.132 -1.536 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.851 -2.851 -1.669 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.393 -1.656 -0.900 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.449 -4.135 -1.125 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.641 -1.057 -1.498 1.00 0.51 C ATOM 0 H ILE A 109 -14.477 -1.068 -2.636 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.015 -2.860 -0.528 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.133 -2.773 -2.719 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.604 -1.962 0.125 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.621 -0.888 -0.851 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.535 -4.093 -1.205 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.076 -4.982 -1.700 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.166 -4.253 -0.079 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.965 -0.210 -0.892 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.432 -0.718 -2.513 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.430 -1.809 -1.522 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.509 -4.062 -3.517 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.916 -5.177 -4.240 1.00 0.23 C ATOM 1671 C HIS A 110 -11.585 -5.569 -3.610 1.00 0.20 C ATOM 1672 O HIS A 110 -11.400 -6.700 -3.167 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.698 -4.807 -5.709 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.181 -5.940 -6.547 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.998 -6.860 -7.162 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.914 -6.293 -6.871 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.256 -7.728 -7.826 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.988 -7.405 -7.671 1.00 0.40 N ATOM 0 H HIS A 110 -13.714 -3.246 -4.094 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.601 -6.023 -4.184 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.640 -4.456 -6.130 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.995 -3.976 -5.765 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -14.017 -6.870 -7.113 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -10.011 -5.791 -6.557 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.627 -8.564 -8.401 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.667 -4.615 -3.558 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.336 -4.865 -3.028 1.00 0.17 C ATOM 1689 C PHE A 111 -9.362 -4.974 -1.509 1.00 0.16 C ATOM 1690 O PHE A 111 -8.454 -5.545 -0.909 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.369 -3.783 -3.491 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.117 -3.834 -4.971 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.230 -4.752 -5.506 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.770 -2.963 -5.827 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.999 -4.802 -6.865 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.544 -3.009 -7.188 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.644 -3.929 -7.705 1.00 0.32 C ATOM 0 H PHE A 111 -10.821 -3.659 -3.877 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.985 -5.821 -3.416 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.770 -2.804 -3.227 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.423 -3.894 -2.960 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.712 -5.438 -4.851 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.464 -2.240 -5.425 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.310 -5.529 -7.269 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.066 -2.331 -7.848 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.451 -3.958 -8.767 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.403 -4.434 -0.884 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.624 -4.663 0.536 1.00 0.17 C ATOM 1709 C TYR A 112 -10.871 -6.144 0.779 1.00 0.20 C ATOM 1710 O TYR A 112 -10.195 -6.761 1.591 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.801 -3.841 1.073 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.503 -2.370 1.271 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.214 -1.945 1.567 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.501 -1.404 1.153 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.928 -0.609 1.743 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.218 -0.069 1.325 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.982 0.329 1.648 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.653 1.654 1.795 1.00 0.32 O ATOM 0 H TYR A 112 -11.100 -3.841 -1.334 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.730 -4.341 1.071 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.640 -3.939 0.384 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.119 -4.265 2.025 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.423 -2.674 1.661 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.511 -1.708 0.923 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.919 -0.284 1.949 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.000 0.665 1.198 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.471 2.192 1.834 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.823 -6.714 0.045 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.110 -8.140 0.131 1.00 0.28 C ATOM 1730 C ASN A 113 -10.869 -8.955 -0.206 1.00 0.27 C ATOM 1731 O ASN A 113 -10.667 -10.038 0.327 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.238 -8.517 -0.830 1.00 0.34 C ATOM 1733 CG ASN A 113 -14.612 -8.054 -0.377 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -15.468 -7.726 -1.201 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.851 -8.054 0.922 1.00 1.23 N ATOM 0 H ASN A 113 -12.410 -6.207 -0.618 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.418 -8.361 1.153 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -13.026 -8.089 -1.810 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.252 -9.600 -0.951 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.768 -7.776 1.272 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.119 -8.332 1.575 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.047 -8.420 -1.100 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.769 -9.029 -1.444 1.00 0.24 C ATOM 1744 C LYS A 114 -7.818 -9.002 -0.249 1.00 0.21 C ATOM 1745 O LYS A 114 -6.995 -9.900 -0.074 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.143 -8.286 -2.607 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.908 -8.404 -3.910 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.129 -9.245 -4.887 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.600 -9.054 -6.310 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.807 -9.871 -7.266 1.00 1.25 N ATOM 0 H LYS A 114 -10.246 -7.556 -1.605 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.947 -10.067 -1.725 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.057 -7.232 -2.345 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.131 -8.660 -2.759 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.885 -8.852 -3.729 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.085 -7.413 -4.329 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.071 -8.991 -4.819 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.222 -10.296 -4.614 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.653 -9.326 -6.385 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.523 -8.001 -6.580 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.159 -9.714 -8.232 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.806 -9.594 -7.213 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -7.901 -10.878 -7.023 1.00 1.25 H new ATOM 1764 N SER A 115 -7.924 -7.960 0.564 1.00 0.20 N ATOM 1765 CA SER A 115 -7.146 -7.877 1.787 1.00 0.21 C ATOM 1766 C SER A 115 -7.687 -8.878 2.801 1.00 0.25 C ATOM 1767 O SER A 115 -6.919 -9.590 3.442 1.00 0.28 O ATOM 1768 CB SER A 115 -7.176 -6.455 2.355 1.00 0.23 C ATOM 1769 OG SER A 115 -6.428 -6.362 3.551 1.00 1.04 O ATOM 0 H SER A 115 -8.540 -7.164 0.398 1.00 0.20 H new ATOM 0 HA SER A 115 -6.107 -8.122 1.566 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.775 -5.759 1.618 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.208 -6.159 2.545 1.00 0.23 H new ATOM 0 HG SER A 115 -5.721 -5.692 3.443 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.018 -8.950 2.922 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.651 -9.979 3.745 1.00 0.31 C ATOM 1777 C LEU A 116 -9.225 -11.362 3.252 1.00 0.33 C ATOM 1778 O LEU A 116 -9.064 -12.303 4.033 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.190 -9.887 3.710 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.852 -8.795 4.571 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.136 -8.626 5.893 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.913 -7.473 3.840 1.00 0.35 C ATOM 0 H LEU A 116 -9.670 -8.313 2.464 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.327 -9.819 4.773 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.495 -9.732 2.675 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.593 -10.851 4.020 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.872 -9.123 4.771 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.628 -7.848 6.477 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.164 -9.566 6.445 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.099 -8.342 5.712 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.386 -6.726 4.478 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.903 -7.149 3.589 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.494 -7.590 2.925 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.048 -11.455 1.938 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.640 -12.682 1.273 1.00 0.33 C ATOM 1796 C ALA A 117 -7.286 -13.168 1.780 1.00 0.33 C ATOM 1797 O ALA A 117 -7.125 -14.344 2.113 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.591 -12.452 -0.235 1.00 0.32 C ATOM 0 H ALA A 117 -9.186 -10.671 1.300 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.372 -13.457 1.500 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.285 -13.372 -0.734 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.578 -12.158 -0.590 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.874 -11.662 -0.459 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.318 -12.265 1.843 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.968 -12.629 2.255 1.00 0.30 C ATOM 1806 C GLU A 118 -4.824 -12.604 3.774 1.00 0.32 C ATOM 1807 O GLU A 118 -4.367 -13.574 4.374 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.946 -11.691 1.610 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.923 -11.767 0.090 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.796 -13.185 -0.431 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.734 -13.812 -0.219 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.757 -13.687 -1.045 1.00 0.53 O ATOM 0 H GLU A 118 -6.440 -11.278 1.615 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.778 -13.648 1.918 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.165 -10.667 1.911 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.954 -11.930 1.992 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.836 -11.322 -0.304 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.090 -11.172 -0.285 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.241 -11.512 4.394 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.096 -11.342 5.834 1.00 0.36 C ATOM 1821 C HIS A 119 -6.292 -10.578 6.393 1.00 0.37 C ATOM 1822 O HIS A 119 -6.348 -9.348 6.326 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.764 -10.629 6.146 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.569 -10.185 7.571 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.636 -9.236 7.945 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.154 -10.589 8.713 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.660 -9.092 9.257 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.573 -9.901 9.745 1.00 0.50 N ATOM 0 H HIS A 119 -5.685 -10.725 3.921 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.073 -12.318 6.318 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.946 -11.298 5.880 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.683 -9.755 5.500 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.941 -11.324 8.800 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.036 -8.423 9.831 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.811 -10.001 10.732 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.241 -11.325 6.945 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.459 -10.748 7.497 1.00 0.43 C ATOM 1839 C ARG A 120 -8.123 -9.782 8.624 1.00 0.46 C ATOM 1840 O ARG A 120 -7.583 -10.178 9.658 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.388 -11.850 8.012 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.777 -11.350 8.372 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.600 -12.423 9.056 1.00 0.62 C ATOM 1844 NE ARG A 120 -12.977 -11.992 9.291 1.00 1.38 N ATOM 1845 CZ ARG A 120 -13.572 -12.010 10.483 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -12.899 -12.387 11.565 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -14.843 -11.649 10.598 1.00 2.87 N ATOM 0 H ARG A 120 -7.188 -12.341 7.022 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.970 -10.201 6.704 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.475 -12.626 7.252 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.938 -12.313 8.890 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.693 -10.483 9.027 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.290 -11.019 7.469 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.602 -13.324 8.443 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.135 -12.685 10.006 1.00 0.62 H new ATOM 0 HE ARG A 120 -13.516 -11.657 8.493 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -11.921 -12.665 11.486 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.361 -12.398 12.474 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -15.367 -11.357 9.773 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -15.297 -11.664 11.511 1.00 2.87 H new ATOM 1861 N THR A 121 -8.428 -8.514 8.410 1.00 0.45 N ATOM 1862 CA THR A 121 -8.130 -7.487 9.384 1.00 0.50 C ATOM 1863 C THR A 121 -9.309 -6.529 9.547 1.00 0.49 C ATOM 1864 O THR A 121 -10.005 -6.201 8.582 1.00 0.47 O ATOM 1865 CB THR A 121 -6.866 -6.711 8.986 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.820 -6.532 7.566 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.617 -7.426 9.454 1.00 0.62 C ATOM 0 H THR A 121 -8.885 -8.173 7.564 1.00 0.45 H new ATOM 0 HA THR A 121 -7.951 -7.977 10.341 1.00 0.50 H new ATOM 0 HB THR A 121 -6.905 -5.735 9.470 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.592 -7.383 7.136 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.738 -6.854 9.158 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.638 -7.523 10.539 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.574 -8.417 9.002 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.541 -6.076 10.795 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.738 -5.333 11.169 1.00 0.56 C ATOM 1877 C PRO A 122 -10.822 -3.954 10.530 1.00 0.51 C ATOM 1878 O PRO A 122 -11.915 -3.456 10.277 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.640 -5.201 12.688 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.532 -6.082 13.118 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.645 -6.262 11.940 1.00 0.69 C ATOM 0 HA PRO A 122 -11.633 -5.853 10.827 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.447 -4.167 12.975 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.576 -5.495 13.164 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.985 -5.637 13.949 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.914 -7.042 13.465 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.834 -5.534 11.935 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.186 -7.251 11.932 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.674 -3.338 10.274 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.638 -2.020 9.643 1.00 0.48 C ATOM 1891 C ASP A 123 -10.141 -2.102 8.216 1.00 0.40 C ATOM 1892 O ASP A 123 -10.925 -1.263 7.782 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.231 -1.438 9.653 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.725 -1.145 11.049 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -7.280 -2.087 11.738 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.773 0.029 11.468 1.00 2.06 O ATOM 0 H ASP A 123 -8.757 -3.727 10.492 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.288 -1.363 10.220 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.551 -2.136 9.165 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -8.219 -0.519 9.067 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.698 -3.120 7.491 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.150 -3.319 6.125 1.00 0.29 C ATOM 1903 C VAL A 124 -11.610 -3.719 6.118 1.00 0.28 C ATOM 1904 O VAL A 124 -12.371 -3.295 5.263 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.365 -4.415 5.394 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.806 -4.499 3.946 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.868 -4.185 5.483 1.00 0.31 C ATOM 0 H VAL A 124 -9.031 -3.815 7.825 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.991 -2.372 5.609 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.580 -5.364 5.885 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.241 -5.281 3.438 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.870 -4.733 3.903 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.625 -3.543 3.454 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.345 -4.982 4.954 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.620 -3.225 5.030 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.562 -4.183 6.529 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.987 -4.550 7.077 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.368 -4.980 7.217 1.00 0.38 C ATOM 1919 C LEU A 125 -14.257 -3.764 7.456 1.00 0.38 C ATOM 1920 O LEU A 125 -15.285 -3.591 6.799 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.470 -5.989 8.369 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.775 -6.786 8.454 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.531 -8.116 9.150 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.840 -6.002 9.203 1.00 0.54 C ATOM 0 H LEU A 125 -11.352 -4.941 7.773 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.707 -5.470 6.304 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.643 -6.694 8.282 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.334 -5.452 9.308 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.129 -6.969 7.439 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.465 -8.675 9.205 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.797 -8.692 8.587 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.156 -7.936 10.157 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.758 -6.588 9.250 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.492 -5.790 10.214 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.035 -5.064 8.682 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.827 -2.918 8.386 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.481 -1.644 8.653 1.00 0.42 C ATOM 1938 C LYS A 126 -14.556 -0.801 7.387 1.00 0.39 C ATOM 1939 O LYS A 126 -15.612 -0.289 7.024 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.707 -0.885 9.733 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.120 0.568 9.873 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.334 1.269 10.966 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.827 2.695 11.171 1.00 1.37 C ATOM 1944 NZ LYS A 126 -15.254 2.737 11.592 1.00 2.04 N ATOM 0 H LYS A 126 -13.014 -3.097 8.976 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.496 -1.840 8.999 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.849 -1.387 10.690 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.642 -0.930 9.504 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.966 1.084 8.925 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.185 0.624 10.097 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -13.426 0.712 11.898 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -12.276 1.281 10.706 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.212 3.186 11.925 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.706 3.257 10.245 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -15.466 3.666 12.009 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -15.865 2.582 10.765 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -15.430 1.993 12.297 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.417 -0.668 6.724 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.312 0.094 5.488 1.00 0.31 C ATOM 1960 C LYS A 127 -14.238 -0.453 4.421 1.00 0.27 C ATOM 1961 O LYS A 127 -14.882 0.300 3.694 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.873 0.053 4.989 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.081 1.308 5.316 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.266 1.749 6.760 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.716 3.148 6.976 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.237 3.153 7.135 1.00 1.48 N ATOM 0 H LYS A 127 -12.538 -1.086 7.028 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.607 1.123 5.694 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.370 -0.809 5.427 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.876 -0.094 3.909 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.023 1.127 5.127 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.390 2.114 4.650 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.325 1.727 7.018 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.761 1.049 7.425 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -10.991 3.779 6.131 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.176 3.584 7.862 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -8.907 4.128 7.280 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -8.974 2.573 7.957 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -8.795 2.761 6.279 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.298 -1.765 4.348 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.101 -2.441 3.358 1.00 0.26 C ATOM 1982 C CYS A 128 -16.578 -2.169 3.614 1.00 0.29 C ATOM 1983 O CYS A 128 -17.337 -1.876 2.691 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.801 -3.944 3.391 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.644 -4.912 2.122 1.00 0.91 S ATOM 0 H CYS A 128 -13.791 -2.391 4.974 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.855 -2.063 2.366 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.726 -4.088 3.284 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.079 -4.334 4.370 1.00 0.26 H new ATOM 0 HG CYS A 128 -15.672 -6.162 2.477 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.969 -2.238 4.887 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.333 -1.920 5.288 1.00 0.36 C ATOM 1993 C GLN A 129 -18.631 -0.454 5.020 1.00 0.32 C ATOM 1994 O GLN A 129 -19.727 -0.096 4.587 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.548 -2.192 6.772 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.403 -3.645 7.170 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.563 -3.840 8.664 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.235 -2.954 9.455 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -19.072 -4.996 9.059 1.00 1.10 N ATOM 0 H GLN A 129 -16.357 -2.512 5.656 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.002 -2.554 4.705 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.835 -1.598 7.344 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.545 -1.849 7.051 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.148 -4.242 6.644 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.425 -4.011 6.859 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -19.330 -5.702 8.369 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -19.206 -5.181 10.053 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.644 0.390 5.292 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.807 1.825 5.163 1.00 0.30 C ATOM 2010 C GLN A 130 -17.969 2.222 3.703 1.00 0.26 C ATOM 2011 O GLN A 130 -18.845 3.005 3.367 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.615 2.568 5.770 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.912 4.031 6.061 1.00 0.41 C ATOM 2014 CD GLN A 130 -15.807 4.727 6.831 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -16.063 5.649 7.603 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -14.574 4.296 6.628 1.00 1.65 N ATOM 0 H GLN A 130 -16.718 0.099 5.605 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.709 2.104 5.707 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.318 2.073 6.694 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.768 2.504 5.087 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -17.075 4.555 5.119 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -17.840 4.100 6.629 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -14.403 3.528 5.979 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -13.794 4.731 7.120 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.140 1.665 2.838 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.133 2.055 1.437 1.00 0.21 C ATOM 2027 C ALA A 131 -18.463 1.763 0.748 1.00 0.23 C ATOM 2028 O ALA A 131 -18.937 2.572 -0.050 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.992 1.381 0.704 1.00 0.20 C ATOM 0 H ALA A 131 -16.463 0.941 3.080 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.986 3.135 1.404 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -16.002 1.684 -0.343 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -15.045 1.674 1.157 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -16.106 0.299 0.769 1.00 0.20 H new ATOM 2035 N GLU A 132 -19.077 0.623 1.056 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.346 0.271 0.425 1.00 0.35 C ATOM 2037 C GLU A 132 -21.487 1.154 0.932 1.00 0.35 C ATOM 2038 O GLU A 132 -22.355 1.552 0.155 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.688 -1.212 0.612 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.485 -1.730 2.019 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.354 -2.929 2.328 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.528 -2.743 2.710 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -20.866 -4.072 2.188 1.00 1.41 O ATOM 0 H GLU A 132 -18.725 -0.061 1.726 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.225 0.450 -0.643 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.728 -1.371 0.326 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.076 -1.802 -0.071 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.438 -2.000 2.155 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.704 -0.934 2.731 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.479 1.481 2.224 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.509 2.356 2.776 1.00 0.36 C ATOM 2052 C LYS A 133 -22.269 3.793 2.328 1.00 0.37 C ATOM 2053 O LYS A 133 -23.211 4.557 2.122 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.573 2.255 4.307 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.291 2.637 5.028 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.332 2.250 6.501 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.503 2.901 7.223 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.579 2.496 8.652 1.00 1.90 N ATOM 0 H LYS A 133 -20.783 1.159 2.897 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.476 2.029 2.393 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.379 2.896 4.665 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.834 1.232 4.578 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.444 2.147 4.547 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.131 3.711 4.939 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.407 1.166 6.590 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.399 2.546 6.981 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.409 3.985 7.159 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.432 2.631 6.721 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.391 2.964 9.103 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.695 1.464 8.715 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.704 2.776 9.139 1.00 1.90 H new ATOM 2072 N ILE A 134 -20.999 4.144 2.164 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.619 5.423 1.577 1.00 0.34 C ATOM 2074 C ILE A 134 -21.101 5.501 0.136 1.00 0.39 C ATOM 2075 O ILE A 134 -21.561 6.542 -0.310 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.087 5.633 1.607 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.602 5.971 3.008 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.675 6.727 0.655 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.105 6.172 3.098 1.00 0.33 C ATOM 0 H ILE A 134 -20.210 3.556 2.432 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.088 6.206 2.173 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.627 4.695 1.295 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.103 6.877 3.348 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -18.894 5.171 3.688 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.593 6.855 0.695 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -18.972 6.458 -0.359 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.162 7.660 0.940 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.831 6.410 4.126 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.596 5.259 2.789 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.808 6.992 2.444 1.00 0.33 H new ATOM 2091 N LEU A 135 -21.003 4.399 -0.589 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.469 4.363 -1.967 1.00 0.48 C ATOM 2093 C LEU A 135 -22.972 4.617 -2.031 1.00 0.58 C ATOM 2094 O LEU A 135 -23.451 5.340 -2.903 1.00 0.71 O ATOM 2095 CB LEU A 135 -21.125 3.030 -2.617 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.164 3.129 -3.795 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.862 1.748 -4.351 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.721 4.039 -4.880 1.00 1.37 C ATOM 0 H LEU A 135 -20.608 3.522 -0.250 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.962 5.154 -2.520 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.689 2.375 -1.863 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -22.047 2.557 -2.956 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.232 3.568 -3.438 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.174 1.837 -5.192 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.407 1.134 -3.573 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.788 1.281 -4.687 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.015 4.092 -5.709 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.671 3.640 -5.237 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.877 5.038 -4.472 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.703 4.043 -1.080 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.140 4.289 -0.956 1.00 0.72 C ATOM 2112 C LYS A 136 -25.390 5.722 -0.491 1.00 0.77 C ATOM 2113 O LYS A 136 -26.508 6.235 -0.556 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.759 3.318 0.044 1.00 0.79 C ATOM 2115 CG LYS A 136 -25.473 1.852 -0.244 1.00 1.26 C ATOM 2116 CD LYS A 136 -25.977 1.429 -1.613 1.00 1.73 C ATOM 2117 CE LYS A 136 -25.888 -0.078 -1.796 1.00 2.54 C ATOM 2118 NZ LYS A 136 -24.503 -0.589 -1.613 1.00 3.36 N ATOM 0 H LYS A 136 -23.325 3.403 -0.382 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.600 4.140 -1.933 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.390 3.558 1.041 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -26.838 3.469 0.058 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -24.399 1.674 -0.183 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -25.943 1.234 0.521 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -27.011 1.752 -1.737 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -25.392 1.926 -2.387 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -26.551 -0.568 -1.083 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -26.241 -0.342 -2.793 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -24.462 -1.589 -1.895 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -23.848 -0.036 -2.202 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -24.229 -0.500 -0.614 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.327 6.347 -0.018 1.00 0.70 N ATOM 2133 CA GLU A 137 -24.359 7.707 0.485 1.00 0.82 C ATOM 2134 C GLU A 137 -23.954 8.688 -0.620 1.00 0.87 C ATOM 2135 O GLU A 137 -24.230 9.883 -0.542 1.00 1.03 O ATOM 2136 CB GLU A 137 -23.407 7.794 1.680 1.00 0.82 C ATOM 2137 CG GLU A 137 -23.268 9.177 2.262 1.00 1.02 C ATOM 2138 CD GLU A 137 -22.250 9.240 3.382 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -22.574 8.822 4.513 1.00 2.28 O ATOM 2140 OE2 GLU A 137 -21.118 9.703 3.137 1.00 2.01 O ATOM 0 H GLU A 137 -23.403 5.917 0.028 1.00 0.70 H new ATOM 0 HA GLU A 137 -25.367 7.974 0.804 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.758 7.118 2.460 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -22.423 7.441 1.372 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -22.978 9.871 1.473 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.236 9.508 2.638 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.303 8.166 -1.654 1.00 0.80 N ATOM 2148 CA GLN A 138 -22.836 8.985 -2.764 1.00 0.89 C ATOM 2149 C GLN A 138 -23.894 9.117 -3.852 1.00 1.04 C ATOM 2150 O GLN A 138 -23.923 10.106 -4.582 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.567 8.384 -3.353 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.423 8.350 -2.365 1.00 0.80 C ATOM 2153 CD GLN A 138 -19.869 9.726 -2.060 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -18.962 10.206 -2.734 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.406 10.368 -1.034 1.00 1.60 N ATOM 0 H GLN A 138 -23.086 7.173 -1.745 1.00 0.80 H new ATOM 0 HA GLN A 138 -22.628 9.982 -2.376 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.775 7.371 -3.696 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.269 8.962 -4.228 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -20.763 7.887 -1.439 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -19.625 7.722 -2.762 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -21.158 9.935 -0.499 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -20.067 11.296 -0.779 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.744 8.109 -3.973 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.791 8.116 -4.984 1.00 1.35 C ATOM 2166 C GLU A 139 -26.959 8.997 -4.555 1.00 1.86 C ATOM 2167 O GLU A 139 -27.197 10.027 -5.217 1.00 2.30 O ATOM 2168 CB GLU A 139 -26.260 6.690 -5.295 1.00 1.47 C ATOM 2169 CG GLU A 139 -26.453 5.813 -4.069 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.927 4.421 -4.424 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.140 3.651 -5.012 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -28.092 4.089 -4.117 1.00 2.99 O ATOM 2173 OXT GLU A 139 -27.615 8.677 -3.543 1.00 2.51 O ATOM 0 H GLU A 139 -24.730 7.276 -3.384 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.374 8.538 -5.898 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -27.201 6.741 -5.842 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -25.533 6.217 -5.955 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.512 5.745 -3.523 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -27.176 6.281 -3.401 1.00 1.46 H new TER 2180 GLU A 139