USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 961 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 55 THR OG1 : rot -108:sc= 0.765 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -140:sc= 2.22 (180deg=0.387) USER MOD Set 2.1: A 69 LYS NZ :NH3+ 153:sc= 1.56 (180deg=-0.49) USER MOD Set 2.2: A 76 THR OG1 : rot -163:sc= -0.0593 USER MOD Set 3.1: A 39 ASN : amide:sc= -0.402 K(o=-0.27,f=-2.5!) USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0.132 USER MOD Set 4.1: A 26 ASN :FLIP amide:sc= 0.581 F(o=-1.4,f=-0.62) USER MOD Set 4.2: B 208 HIS :FLIP no HD1:sc= -1.2 F(o=-1.7,f=-0.62) USER MOD Set 5.1: A 24 HIS : +bothHN:sc= 1.24 K(o=1.2,f=-8.3!) USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 10 THR OG1 : rot 87:sc= 0.685 USER MOD Set 6.2: A 19 SER OG : rot -39:sc= 0.741 USER MOD Set 7.1: A 4 THR OG1 : rot -26:sc= 0.396 USER MOD Set 7.2: A 84 GLN : amide:sc= -1.27! C(o=0.76!,f=-3!) USER MOD Set 7.3: A 87 CYS SG : rot 77:sc= 1.64 USER MOD Set 8.1: A 3 LYS NZ :NH3+ 161:sc= 2.39 (180deg=0.73) USER MOD Set 8.2: A 9 GLN : amide:sc= 0.54 K(o=2.9,f=-8.7!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.028 (180deg=-0.324) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.169 (180deg=-0.188) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -160:sc= 0.0758 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 78:sc= -0.812 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.555 F(o=-1.1,f=-0.56) USER MOD Single : A 45 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.6!) USER MOD Single : A 49 GLN : amide:sc= -0.38! X(o=-0.38!,f=-0.8) USER MOD Single : A 62 GLN : amide:sc= -1.55 K(o=-1.6,f=-4.1!) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0207) USER MOD Single : A 67 LYS NZ :NH3+ -154:sc= 2.46 (180deg=0.896) USER MOD Single : A 70 SER OG : rot 79:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.15) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0728 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.65! C(o=-1.6!,f=-8.7!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0413 F(o=-1.4,f=-0.041) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-7.3!) USER MOD Single : B 192 TYR OH : rot -165:sc= -3.27! USER MOD Single : B 196 ASN : amide:sc= 0.794 K(o=0.79,f=-6.8!) USER MOD Single : B 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 201 LYS NZ :NH3+ -170:sc= -0.016 (180deg=-0.133) USER MOD Single : B 204 MET CE :methyl 155:sc= -0.0994 (180deg=-1) USER MOD Single : B 205 THR OG1 : rot 130:sc= 0.673 USER MOD Single : B 206 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : B 207 SER OG : rot 30:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.513 -13.913 -9.765 1.00 1.79 N ATOM 2 CA MET A 1 -4.472 -12.484 -9.369 1.00 1.50 C ATOM 3 C MET A 1 -5.856 -11.842 -9.470 1.00 1.45 C ATOM 4 O MET A 1 -5.995 -10.625 -9.327 1.00 2.06 O ATOM 5 CB MET A 1 -3.487 -11.719 -10.255 1.00 1.78 C ATOM 6 CG MET A 1 -3.986 -11.489 -11.676 1.00 2.07 C ATOM 7 SD MET A 1 -2.762 -10.680 -12.723 1.00 2.89 S ATOM 8 CE MET A 1 -2.649 -9.071 -11.941 1.00 2.97 C ATOM 0 H1 MET A 1 -3.552 -14.309 -9.735 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.124 -14.438 -9.107 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.892 -13.995 -10.730 1.00 1.79 H new ATOM 0 HA MET A 1 -4.143 -12.435 -8.331 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.273 -10.754 -9.795 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.547 -12.269 -10.295 1.00 1.78 H new ATOM 0 HG2 MET A 1 -4.261 -12.446 -12.119 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.890 -10.881 -11.645 1.00 2.07 H new ATOM 0 HE1 MET A 1 -2.146 -8.375 -12.612 1.00 2.97 H new ATOM 0 HE2 MET A 1 -3.651 -8.703 -11.720 1.00 2.97 H new ATOM 0 HE3 MET A 1 -2.081 -9.156 -11.014 1.00 2.97 H new ATOM 20 N ALA A 2 -6.879 -12.659 -9.710 1.00 1.41 N ATOM 21 CA ALA A 2 -8.243 -12.164 -9.833 1.00 1.47 C ATOM 22 C ALA A 2 -8.833 -11.849 -8.462 1.00 1.31 C ATOM 23 O ALA A 2 -9.646 -12.609 -7.933 1.00 1.40 O ATOM 24 CB ALA A 2 -9.109 -13.179 -10.567 1.00 1.83 C ATOM 0 H ALA A 2 -6.786 -13.668 -9.823 1.00 1.41 H new ATOM 0 HA ALA A 2 -8.221 -11.241 -10.412 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -10.126 -12.796 -10.652 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.702 -13.352 -11.563 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -9.120 -14.117 -10.012 1.00 1.83 H new ATOM 30 N LYS A 3 -8.392 -10.742 -7.878 1.00 1.21 N ATOM 31 CA LYS A 3 -8.882 -10.320 -6.575 1.00 1.10 C ATOM 32 C LYS A 3 -10.143 -9.489 -6.724 1.00 1.05 C ATOM 33 O LYS A 3 -10.095 -8.256 -6.752 1.00 1.21 O ATOM 34 CB LYS A 3 -7.813 -9.534 -5.813 1.00 1.11 C ATOM 35 CG LYS A 3 -6.675 -10.400 -5.304 1.00 1.22 C ATOM 36 CD LYS A 3 -5.982 -9.770 -4.108 1.00 1.18 C ATOM 37 CE LYS A 3 -6.819 -9.886 -2.841 1.00 1.23 C ATOM 38 NZ LYS A 3 -7.078 -11.304 -2.463 1.00 1.47 N ATOM 0 H LYS A 3 -7.695 -10.120 -8.288 1.00 1.21 H new ATOM 0 HA LYS A 3 -9.119 -11.215 -6.000 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -7.407 -8.761 -6.465 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -8.279 -9.026 -4.968 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.060 -11.381 -5.026 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -5.951 -10.556 -6.104 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.017 -10.253 -3.951 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.782 -8.719 -4.316 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -6.306 -9.382 -2.022 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.769 -9.372 -2.987 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -7.356 -11.351 -1.462 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.844 -11.686 -3.054 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -6.215 -11.865 -2.609 1.00 1.47 H new ATOM 52 N THR A 4 -11.261 -10.180 -6.854 1.00 1.06 N ATOM 53 CA THR A 4 -12.567 -9.550 -7.005 1.00 1.06 C ATOM 54 C THR A 4 -13.677 -10.551 -6.688 1.00 1.13 C ATOM 55 O THR A 4 -14.772 -10.175 -6.271 1.00 1.27 O ATOM 56 CB THR A 4 -12.795 -9.016 -8.443 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.631 -8.323 -8.923 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.988 -8.078 -8.486 1.00 1.23 C ATOM 0 H THR A 4 -11.292 -11.200 -6.858 1.00 1.06 H new ATOM 0 HA THR A 4 -12.592 -8.711 -6.309 1.00 1.06 H new ATOM 0 HB THR A 4 -12.990 -9.875 -9.085 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.125 -7.969 -8.163 1.00 1.22 H new ATOM 0 HG21 THR A 4 -14.129 -7.716 -9.504 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.882 -8.611 -8.163 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.810 -7.233 -7.821 1.00 1.23 H new ATOM 66 N GLU A 5 -13.372 -11.832 -6.864 1.00 1.20 N ATOM 67 CA GLU A 5 -14.350 -12.887 -6.639 1.00 1.33 C ATOM 68 C GLU A 5 -14.387 -13.358 -5.187 1.00 1.31 C ATOM 69 O GLU A 5 -15.400 -13.896 -4.735 1.00 1.58 O ATOM 70 CB GLU A 5 -14.057 -14.066 -7.568 1.00 1.56 C ATOM 71 CG GLU A 5 -14.257 -13.734 -9.038 1.00 1.73 C ATOM 72 CD GLU A 5 -15.654 -13.224 -9.334 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.631 -13.875 -8.903 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.783 -12.171 -9.993 1.00 2.15 O ATOM 0 H GLU A 5 -12.455 -12.164 -7.162 1.00 1.20 H new ATOM 0 HA GLU A 5 -15.333 -12.471 -6.860 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -13.030 -14.396 -7.413 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.704 -14.901 -7.300 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -13.528 -12.982 -9.340 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.064 -14.624 -9.637 1.00 1.73 H new ATOM 81 N GLU A 6 -13.294 -13.165 -4.457 1.00 1.20 N ATOM 82 CA GLU A 6 -13.227 -13.589 -3.061 1.00 1.19 C ATOM 83 C GLU A 6 -14.140 -12.732 -2.194 1.00 1.14 C ATOM 84 O GLU A 6 -14.966 -13.254 -1.445 1.00 1.26 O ATOM 85 CB GLU A 6 -11.792 -13.512 -2.524 1.00 1.16 C ATOM 86 CG GLU A 6 -10.733 -13.977 -3.507 1.00 1.41 C ATOM 87 CD GLU A 6 -10.161 -12.830 -4.307 1.00 1.47 C ATOM 88 OE1 GLU A 6 -10.860 -12.329 -5.208 1.00 1.83 O ATOM 89 OE2 GLU A 6 -9.015 -12.409 -4.024 1.00 1.64 O ATOM 0 H GLU A 6 -12.445 -12.720 -4.806 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.560 -14.626 -3.019 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.578 -12.482 -2.237 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.722 -14.116 -1.619 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -9.930 -14.477 -2.965 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -11.166 -14.712 -4.186 1.00 1.41 H new ATOM 96 N MET A 7 -13.968 -11.413 -2.306 1.00 1.05 N ATOM 97 CA MET A 7 -14.751 -10.428 -1.548 1.00 1.09 C ATOM 98 C MET A 7 -14.382 -10.419 -0.062 1.00 1.12 C ATOM 99 O MET A 7 -14.058 -9.374 0.491 1.00 1.32 O ATOM 100 CB MET A 7 -16.261 -10.656 -1.700 1.00 1.22 C ATOM 101 CG MET A 7 -17.093 -9.577 -1.025 1.00 1.44 C ATOM 102 SD MET A 7 -18.847 -9.983 -0.945 1.00 1.75 S ATOM 103 CE MET A 7 -19.514 -8.435 -0.337 1.00 2.16 C ATOM 0 H MET A 7 -13.278 -10.993 -2.929 1.00 1.05 H new ATOM 0 HA MET A 7 -14.500 -9.456 -1.973 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.513 -10.692 -2.760 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.521 -11.626 -1.277 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.717 -9.416 -0.015 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.968 -8.639 -1.565 1.00 1.44 H new ATOM 0 HE1 MET A 7 -20.596 -8.521 -0.232 1.00 2.16 H new ATOM 0 HE2 MET A 7 -19.072 -8.204 0.633 1.00 2.16 H new ATOM 0 HE3 MET A 7 -19.280 -7.637 -1.041 1.00 2.16 H new ATOM 113 N VAL A 8 -14.425 -11.582 0.571 1.00 1.13 N ATOM 114 CA VAL A 8 -14.127 -11.694 1.990 1.00 1.22 C ATOM 115 C VAL A 8 -12.644 -11.955 2.264 1.00 1.14 C ATOM 116 O VAL A 8 -12.068 -12.940 1.800 1.00 1.34 O ATOM 117 CB VAL A 8 -14.979 -12.799 2.654 1.00 1.45 C ATOM 118 CG1 VAL A 8 -16.426 -12.345 2.782 1.00 1.70 C ATOM 119 CG2 VAL A 8 -14.903 -14.108 1.872 1.00 1.49 C ATOM 0 H VAL A 8 -14.665 -12.465 0.121 1.00 1.13 H new ATOM 0 HA VAL A 8 -14.381 -10.729 2.428 1.00 1.22 H new ATOM 0 HB VAL A 8 -14.573 -12.980 3.649 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -17.015 -13.133 3.251 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -16.472 -11.444 3.394 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -16.829 -12.132 1.792 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -15.514 -14.863 2.367 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -15.273 -13.949 0.859 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -13.868 -14.448 1.831 1.00 1.49 H new ATOM 129 N GLN A 9 -12.030 -11.037 3.000 1.00 0.97 N ATOM 130 CA GLN A 9 -10.626 -11.141 3.384 1.00 0.93 C ATOM 131 C GLN A 9 -10.506 -11.083 4.914 1.00 0.91 C ATOM 132 O GLN A 9 -10.768 -12.075 5.597 1.00 0.98 O ATOM 133 CB GLN A 9 -9.811 -10.015 2.735 1.00 0.89 C ATOM 134 CG GLN A 9 -10.068 -9.845 1.246 1.00 1.00 C ATOM 135 CD GLN A 9 -9.389 -10.901 0.396 1.00 1.20 C ATOM 136 OE1 GLN A 9 -8.273 -10.708 -0.078 1.00 1.49 O ATOM 137 NE2 GLN A 9 -10.060 -12.020 0.185 1.00 1.43 N ATOM 0 H GLN A 9 -12.492 -10.197 3.349 1.00 0.97 H new ATOM 0 HA GLN A 9 -10.228 -12.093 3.034 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -10.038 -9.077 3.242 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.750 -10.212 2.890 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -11.142 -9.877 1.064 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.721 -8.860 0.935 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -10.985 -12.145 0.595 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -9.652 -12.759 -0.388 1.00 1.43 H new ATOM 146 N THR A 10 -10.127 -9.924 5.451 1.00 0.91 N ATOM 147 CA THR A 10 -10.004 -9.747 6.897 1.00 0.91 C ATOM 148 C THR A 10 -11.244 -9.040 7.444 1.00 0.88 C ATOM 149 O THR A 10 -11.546 -7.910 7.055 1.00 0.82 O ATOM 150 CB THR A 10 -8.739 -8.936 7.252 1.00 0.89 C ATOM 151 OG1 THR A 10 -7.597 -9.495 6.583 1.00 0.98 O ATOM 152 CG2 THR A 10 -8.498 -8.932 8.754 1.00 0.96 C ATOM 0 H THR A 10 -9.900 -9.093 4.905 1.00 0.91 H new ATOM 0 HA THR A 10 -9.918 -10.733 7.354 1.00 0.91 H new ATOM 0 HB THR A 10 -8.890 -7.908 6.923 1.00 0.89 H new ATOM 0 HG1 THR A 10 -7.517 -9.102 5.689 1.00 0.98 H new ATOM 0 HG21 THR A 10 -7.601 -8.354 8.977 1.00 0.96 H new ATOM 0 HG22 THR A 10 -9.354 -8.483 9.259 1.00 0.96 H new ATOM 0 HG23 THR A 10 -8.366 -9.956 9.104 1.00 0.96 H new ATOM 160 N GLU A 11 -11.962 -9.711 8.335 1.00 0.99 N ATOM 161 CA GLU A 11 -13.187 -9.164 8.909 1.00 1.04 C ATOM 162 C GLU A 11 -12.927 -7.999 9.852 1.00 1.02 C ATOM 163 O GLU A 11 -11.961 -7.992 10.618 1.00 1.03 O ATOM 164 CB GLU A 11 -13.967 -10.256 9.643 1.00 1.19 C ATOM 165 CG GLU A 11 -15.390 -9.851 9.993 1.00 1.29 C ATOM 166 CD GLU A 11 -16.262 -11.040 10.316 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.189 -11.540 11.458 1.00 1.89 O ATOM 168 OE2 GLU A 11 -17.020 -11.483 9.427 1.00 1.58 O ATOM 0 H GLU A 11 -11.717 -10.640 8.678 1.00 0.99 H new ATOM 0 HA GLU A 11 -13.777 -8.783 8.076 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.994 -11.152 9.023 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.436 -10.518 10.558 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.373 -9.174 10.847 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.824 -9.301 9.158 1.00 1.29 H new ATOM 175 N GLU A 12 -13.817 -7.021 9.775 1.00 1.07 N ATOM 176 CA GLU A 12 -13.771 -5.838 10.606 1.00 1.10 C ATOM 177 C GLU A 12 -15.192 -5.536 11.068 1.00 1.22 C ATOM 178 O GLU A 12 -16.149 -6.080 10.514 1.00 1.54 O ATOM 179 CB GLU A 12 -13.189 -4.659 9.816 1.00 1.07 C ATOM 180 CG GLU A 12 -12.909 -3.425 10.658 1.00 1.18 C ATOM 181 CD GLU A 12 -12.199 -3.754 11.954 1.00 1.74 C ATOM 182 OE1 GLU A 12 -10.953 -3.846 11.951 1.00 2.23 O ATOM 183 OE2 GLU A 12 -12.890 -3.927 12.978 1.00 2.22 O ATOM 0 H GLU A 12 -14.601 -7.032 9.122 1.00 1.07 H new ATOM 0 HA GLU A 12 -13.128 -6.002 11.471 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -12.262 -4.978 9.339 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.883 -4.392 9.019 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -12.301 -2.727 10.082 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -13.849 -2.921 10.881 1.00 1.18 H new ATOM 190 N MET A 13 -15.337 -4.698 12.084 1.00 1.20 N ATOM 191 CA MET A 13 -16.655 -4.346 12.598 1.00 1.31 C ATOM 192 C MET A 13 -17.462 -3.582 11.556 1.00 1.28 C ATOM 193 O MET A 13 -18.679 -3.730 11.473 1.00 1.46 O ATOM 194 CB MET A 13 -16.534 -3.516 13.875 1.00 1.40 C ATOM 195 CG MET A 13 -16.140 -4.332 15.096 1.00 1.63 C ATOM 196 SD MET A 13 -16.374 -3.434 16.643 1.00 1.83 S ATOM 197 CE MET A 13 -15.836 -4.666 17.828 1.00 2.25 C ATOM 0 H MET A 13 -14.560 -4.249 12.569 1.00 1.20 H new ATOM 0 HA MET A 13 -17.179 -5.273 12.830 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.795 -2.731 13.719 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.486 -3.023 14.070 1.00 1.40 H new ATOM 0 HG2 MET A 13 -16.730 -5.248 15.121 1.00 1.63 H new ATOM 0 HG3 MET A 13 -15.095 -4.628 15.008 1.00 1.63 H new ATOM 0 HE1 MET A 13 -15.921 -4.262 18.837 1.00 2.25 H new ATOM 0 HE2 MET A 13 -16.462 -5.554 17.739 1.00 2.25 H new ATOM 0 HE3 MET A 13 -14.798 -4.932 17.630 1.00 2.25 H new ATOM 207 N GLU A 14 -16.780 -2.770 10.764 1.00 1.19 N ATOM 208 CA GLU A 14 -17.445 -1.992 9.731 1.00 1.18 C ATOM 209 C GLU A 14 -17.193 -2.600 8.355 1.00 1.09 C ATOM 210 O GLU A 14 -18.134 -2.953 7.645 1.00 1.18 O ATOM 211 CB GLU A 14 -16.973 -0.537 9.769 1.00 1.19 C ATOM 212 CG GLU A 14 -17.839 0.410 8.950 1.00 1.29 C ATOM 213 CD GLU A 14 -19.316 0.266 9.251 1.00 1.54 C ATOM 214 OE1 GLU A 14 -19.724 0.523 10.402 1.00 2.13 O ATOM 215 OE2 GLU A 14 -20.077 -0.104 8.335 1.00 2.02 O ATOM 0 H GLU A 14 -15.771 -2.633 10.816 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.518 -2.012 9.923 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -16.957 -0.197 10.804 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -15.948 -0.487 9.401 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -17.532 1.437 9.147 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -17.670 0.224 7.889 1.00 1.29 H new ATOM 222 N THR A 15 -15.927 -2.716 7.981 1.00 0.98 N ATOM 223 CA THR A 15 -15.566 -3.284 6.693 1.00 0.90 C ATOM 224 C THR A 15 -15.890 -4.780 6.656 1.00 0.94 C ATOM 225 O THR A 15 -15.398 -5.551 7.484 1.00 0.98 O ATOM 226 CB THR A 15 -14.072 -3.060 6.398 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.494 -2.248 7.432 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.886 -2.380 5.049 1.00 0.91 C ATOM 0 H THR A 15 -15.134 -2.424 8.552 1.00 0.98 H new ATOM 0 HA THR A 15 -16.151 -2.779 5.925 1.00 0.90 H new ATOM 0 HB THR A 15 -13.573 -4.029 6.370 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.663 -1.845 7.105 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.823 -2.231 4.860 1.00 0.91 H new ATOM 0 HG22 THR A 15 -14.310 -3.007 4.264 1.00 0.91 H new ATOM 0 HG23 THR A 15 -14.392 -1.415 5.055 1.00 0.91 H new ATOM 236 N PRO A 16 -16.723 -5.210 5.693 1.00 0.97 N ATOM 237 CA PRO A 16 -17.129 -6.612 5.564 1.00 1.04 C ATOM 238 C PRO A 16 -16.032 -7.495 4.974 1.00 0.96 C ATOM 239 O PRO A 16 -16.161 -8.000 3.860 1.00 0.96 O ATOM 240 CB PRO A 16 -18.330 -6.540 4.622 1.00 1.12 C ATOM 241 CG PRO A 16 -18.069 -5.345 3.773 1.00 1.07 C ATOM 242 CD PRO A 16 -17.333 -4.363 4.648 1.00 0.98 C ATOM 0 HA PRO A 16 -17.351 -7.062 6.532 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -18.416 -7.444 4.019 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -19.263 -6.437 5.176 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -17.474 -5.610 2.899 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -19.002 -4.917 3.406 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -16.577 -3.815 4.086 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -18.010 -3.624 5.077 1.00 0.98 H new ATOM 250 N ARG A 17 -14.954 -7.667 5.740 1.00 0.95 N ATOM 251 CA ARG A 17 -13.820 -8.492 5.332 1.00 0.92 C ATOM 252 C ARG A 17 -13.173 -7.953 4.061 1.00 0.82 C ATOM 253 O ARG A 17 -13.157 -8.625 3.036 1.00 0.83 O ATOM 254 CB ARG A 17 -14.248 -9.949 5.122 1.00 1.01 C ATOM 255 CG ARG A 17 -14.970 -10.560 6.311 1.00 1.13 C ATOM 256 CD ARG A 17 -15.052 -12.071 6.200 1.00 1.19 C ATOM 257 NE ARG A 17 -15.701 -12.672 7.360 1.00 1.38 N ATOM 258 CZ ARG A 17 -15.681 -13.974 7.633 1.00 1.67 C ATOM 259 NH1 ARG A 17 -15.002 -14.813 6.858 1.00 1.84 N ATOM 260 NH2 ARG A 17 -16.330 -14.429 8.695 1.00 1.94 N ATOM 0 H ARG A 17 -14.844 -7.238 6.659 1.00 0.95 H new ATOM 0 HA ARG A 17 -13.085 -8.455 6.136 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.898 -10.003 4.249 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.365 -10.548 4.900 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -14.451 -10.290 7.230 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -15.975 -10.145 6.379 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.603 -12.338 5.298 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -14.048 -12.481 6.094 1.00 1.19 H new ATOM 0 HE ARG A 17 -16.201 -12.056 8.001 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -14.492 -14.460 6.048 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -14.991 -15.810 7.073 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -16.840 -13.782 9.297 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -16.319 -15.426 8.911 1.00 1.94 H new ATOM 274 N LEU A 18 -12.612 -6.758 4.138 1.00 0.75 N ATOM 275 CA LEU A 18 -11.984 -6.141 2.976 1.00 0.67 C ATOM 276 C LEU A 18 -10.535 -5.767 3.269 1.00 0.63 C ATOM 277 O LEU A 18 -10.268 -4.912 4.115 1.00 0.66 O ATOM 278 CB LEU A 18 -12.768 -4.896 2.560 1.00 0.65 C ATOM 279 CG LEU A 18 -13.538 -4.999 1.240 1.00 0.64 C ATOM 280 CD1 LEU A 18 -14.629 -6.055 1.324 1.00 0.78 C ATOM 281 CD2 LEU A 18 -14.134 -3.650 0.874 1.00 0.66 C ATOM 0 H LEU A 18 -12.577 -6.196 4.988 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.992 -6.864 2.161 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.476 -4.655 3.353 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -12.072 -4.060 2.488 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.838 -5.299 0.460 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -15.159 -6.107 0.373 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -14.181 -7.024 1.543 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -15.330 -5.792 2.116 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.679 -3.736 -0.066 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.816 -3.328 1.661 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -13.335 -2.917 0.764 1.00 0.66 H new ATOM 293 N SER A 19 -9.605 -6.402 2.567 1.00 0.63 N ATOM 294 CA SER A 19 -8.183 -6.128 2.742 1.00 0.64 C ATOM 295 C SER A 19 -7.527 -5.878 1.392 1.00 0.61 C ATOM 296 O SER A 19 -7.921 -6.466 0.388 1.00 0.70 O ATOM 297 CB SER A 19 -7.500 -7.297 3.449 1.00 0.77 C ATOM 298 OG SER A 19 -8.311 -7.794 4.499 1.00 1.44 O ATOM 0 H SER A 19 -9.811 -7.115 1.867 1.00 0.63 H new ATOM 0 HA SER A 19 -8.074 -5.235 3.358 1.00 0.64 H new ATOM 0 HB2 SER A 19 -7.297 -8.093 2.732 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.538 -6.975 3.848 1.00 0.77 H new ATOM 0 HG SER A 19 -8.745 -7.046 4.959 1.00 1.44 H new ATOM 304 N VAL A 20 -6.532 -5.008 1.368 1.00 0.55 N ATOM 305 CA VAL A 20 -5.843 -4.669 0.136 1.00 0.56 C ATOM 306 C VAL A 20 -4.417 -5.214 0.121 1.00 0.67 C ATOM 307 O VAL A 20 -3.799 -5.419 1.170 1.00 0.73 O ATOM 308 CB VAL A 20 -5.797 -3.139 -0.066 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.782 -2.500 0.869 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.493 -2.792 -1.513 1.00 0.53 C ATOM 0 H VAL A 20 -6.182 -4.521 2.193 1.00 0.55 H new ATOM 0 HA VAL A 20 -6.405 -5.129 -0.677 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.781 -2.737 0.177 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.767 -1.422 0.708 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.057 -2.709 1.903 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.793 -2.910 0.667 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.466 -1.709 -1.629 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.526 -3.211 -1.792 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -6.268 -3.207 -2.157 1.00 0.53 H new ATOM 320 N ILE A 21 -3.909 -5.452 -1.079 1.00 0.73 N ATOM 321 CA ILE A 21 -2.558 -5.941 -1.255 1.00 0.86 C ATOM 322 C ILE A 21 -1.621 -4.773 -1.551 1.00 0.87 C ATOM 323 O ILE A 21 -1.638 -4.209 -2.651 1.00 0.88 O ATOM 324 CB ILE A 21 -2.475 -6.987 -2.392 1.00 0.96 C ATOM 325 CG1 ILE A 21 -3.095 -8.310 -1.930 1.00 0.98 C ATOM 326 CG2 ILE A 21 -1.034 -7.198 -2.843 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.789 -9.482 -2.840 1.00 1.10 C ATOM 0 H ILE A 21 -4.421 -5.311 -1.950 1.00 0.73 H new ATOM 0 HA ILE A 21 -2.253 -6.430 -0.330 1.00 0.86 H new ATOM 0 HB ILE A 21 -3.037 -6.611 -3.247 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.735 -8.538 -0.927 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -4.176 -8.189 -1.861 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -1.008 -7.938 -3.643 1.00 1.11 H new ATOM 0 HG22 ILE A 21 -0.625 -6.256 -3.207 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.438 -7.551 -2.002 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.262 -10.382 -2.446 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.174 -9.277 -3.839 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.710 -9.632 -2.890 1.00 1.10 H new ATOM 339 N VAL A 22 -0.831 -4.392 -0.557 1.00 0.89 N ATOM 340 CA VAL A 22 0.117 -3.301 -0.710 1.00 0.93 C ATOM 341 C VAL A 22 1.437 -3.848 -1.227 1.00 1.07 C ATOM 342 O VAL A 22 2.037 -4.724 -0.603 1.00 1.15 O ATOM 343 CB VAL A 22 0.361 -2.561 0.623 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.199 -1.313 0.401 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.957 -2.208 1.293 1.00 0.80 C ATOM 0 H VAL A 22 -0.829 -4.825 0.367 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.305 -2.589 -1.419 1.00 0.93 H new ATOM 0 HB VAL A 22 0.912 -3.229 1.285 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.358 -0.808 1.353 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.162 -1.593 -0.027 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.679 -0.642 -0.283 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.761 -1.687 2.230 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.539 -1.563 0.634 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.518 -3.120 1.495 1.00 0.80 H new ATOM 355 N THR A 23 1.874 -3.349 -2.371 1.00 1.12 N ATOM 356 CA THR A 23 3.113 -3.811 -2.970 1.00 1.26 C ATOM 357 C THR A 23 4.110 -2.671 -3.166 1.00 1.32 C ATOM 358 O THR A 23 3.837 -1.696 -3.869 1.00 1.28 O ATOM 359 CB THR A 23 2.843 -4.489 -4.323 1.00 1.33 C ATOM 360 OG1 THR A 23 1.611 -5.215 -4.254 1.00 1.89 O ATOM 361 CG2 THR A 23 3.977 -5.434 -4.694 1.00 1.63 C ATOM 0 H THR A 23 1.390 -2.625 -2.902 1.00 1.12 H new ATOM 0 HA THR A 23 3.549 -4.533 -2.280 1.00 1.26 H new ATOM 0 HB THR A 23 2.776 -3.718 -5.091 1.00 1.33 H new ATOM 0 HG1 THR A 23 1.437 -5.646 -5.117 1.00 1.89 H new ATOM 0 HG21 THR A 23 3.762 -5.901 -5.655 1.00 1.63 H new ATOM 0 HG22 THR A 23 4.909 -4.874 -4.763 1.00 1.63 H new ATOM 0 HG23 THR A 23 4.073 -6.205 -3.929 1.00 1.63 H new ATOM 369 N HIS A 24 5.262 -2.801 -2.529 1.00 1.45 N ATOM 370 CA HIS A 24 6.324 -1.815 -2.633 1.00 1.54 C ATOM 371 C HIS A 24 7.548 -2.471 -3.261 1.00 1.61 C ATOM 372 O HIS A 24 8.460 -2.908 -2.555 1.00 1.63 O ATOM 373 CB HIS A 24 6.658 -1.226 -1.249 1.00 1.58 C ATOM 374 CG HIS A 24 7.946 -0.450 -1.191 1.00 1.68 C ATOM 375 ND1 HIS A 24 8.848 -0.567 -0.154 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.488 0.444 -2.055 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.888 0.208 -0.388 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.694 0.833 -1.534 1.00 1.86 N ATOM 0 H HIS A 24 5.487 -3.592 -1.926 1.00 1.45 H new ATOM 0 HA HIS A 24 5.996 -0.990 -3.266 1.00 1.54 H new ATOM 0 HB2 HIS A 24 5.842 -0.573 -0.940 1.00 1.58 H new ATOM 0 HB3 HIS A 24 6.707 -2.039 -0.525 1.00 1.58 H new ATOM 0 HD1 HIS A 24 8.729 -1.161 0.667 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.050 0.786 -2.981 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.753 0.314 0.250 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.338 1.498 -1.963 1.00 1.86 H new ATOM 387 N SER A 25 7.535 -2.560 -4.588 1.00 1.68 N ATOM 388 CA SER A 25 8.627 -3.165 -5.350 1.00 1.77 C ATOM 389 C SER A 25 8.751 -4.663 -5.039 1.00 1.80 C ATOM 390 O SER A 25 8.264 -5.508 -5.790 1.00 1.90 O ATOM 391 CB SER A 25 9.946 -2.434 -5.068 1.00 1.78 C ATOM 392 OG SER A 25 9.747 -1.029 -5.014 1.00 1.90 O ATOM 0 H SER A 25 6.769 -2.216 -5.166 1.00 1.68 H new ATOM 0 HA SER A 25 8.400 -3.065 -6.411 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.364 -2.782 -4.124 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.672 -2.673 -5.845 1.00 1.78 H new ATOM 0 HG SER A 25 10.601 -0.584 -4.831 1.00 1.90 H new ATOM 398 N ASN A 26 9.383 -4.984 -3.919 1.00 1.77 N ATOM 399 CA ASN A 26 9.561 -6.369 -3.509 1.00 1.82 C ATOM 400 C ASN A 26 8.914 -6.604 -2.148 1.00 1.75 C ATOM 401 O ASN A 26 8.755 -7.741 -1.704 1.00 1.87 O ATOM 402 CB ASN A 26 11.050 -6.715 -3.451 1.00 1.95 C ATOM 403 CG ASN A 26 11.319 -8.140 -3.878 1.00 2.06 C ATOM 404 OD1 ASN A 26 11.546 -8.332 -5.167 1.00 2.28 O flip ATOM 405 ND2 ASN A 26 11.323 -9.059 -3.062 1.00 2.32 N flip ATOM 0 H ASN A 26 9.782 -4.301 -3.276 1.00 1.77 H new ATOM 0 HA ASN A 26 9.078 -7.015 -4.242 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.606 -6.033 -4.095 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.417 -6.566 -2.436 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.143 -8.867 -2.077 1.00 2.32 H new ATOM 0 HD22 ASN A 26 11.506 -10.014 -3.370 1.00 2.32 H new ATOM 412 N GLU A 27 8.537 -5.511 -1.500 1.00 1.66 N ATOM 413 CA GLU A 27 7.907 -5.555 -0.192 1.00 1.60 C ATOM 414 C GLU A 27 6.401 -5.742 -0.345 1.00 1.47 C ATOM 415 O GLU A 27 5.774 -5.117 -1.202 1.00 1.48 O ATOM 416 CB GLU A 27 8.219 -4.262 0.565 1.00 1.63 C ATOM 417 CG GLU A 27 7.279 -3.970 1.722 1.00 1.89 C ATOM 418 CD GLU A 27 7.131 -2.487 1.976 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.165 -1.798 2.120 1.00 2.14 O ATOM 420 OE2 GLU A 27 5.986 -1.999 2.013 1.00 2.24 O ATOM 0 H GLU A 27 8.660 -4.568 -1.869 1.00 1.66 H new ATOM 0 HA GLU A 27 8.299 -6.399 0.376 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.239 -4.315 0.946 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.184 -3.428 -0.135 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.300 -4.400 1.510 1.00 1.89 H new ATOM 0 HG3 GLU A 27 7.653 -4.456 2.623 1.00 1.89 H new ATOM 427 N ARG A 28 5.830 -6.601 0.482 1.00 1.44 N ATOM 428 CA ARG A 28 4.405 -6.875 0.438 1.00 1.33 C ATOM 429 C ARG A 28 3.780 -6.691 1.817 1.00 1.28 C ATOM 430 O ARG A 28 4.300 -7.191 2.813 1.00 1.36 O ATOM 431 CB ARG A 28 4.168 -8.305 -0.059 1.00 1.41 C ATOM 432 CG ARG A 28 3.027 -8.434 -1.055 1.00 1.45 C ATOM 433 CD ARG A 28 1.676 -8.175 -0.408 1.00 1.48 C ATOM 434 NE ARG A 28 1.435 -9.039 0.744 1.00 1.48 N ATOM 435 CZ ARG A 28 0.269 -9.126 1.379 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.776 -8.419 0.967 1.00 1.47 N ATOM 437 NH2 ARG A 28 0.145 -9.927 2.428 1.00 1.92 N ATOM 0 H ARG A 28 6.336 -7.124 1.197 1.00 1.44 H new ATOM 0 HA ARG A 28 3.935 -6.172 -0.250 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.083 -8.674 -0.522 1.00 1.41 H new ATOM 0 HB3 ARG A 28 3.963 -8.947 0.798 1.00 1.41 H new ATOM 0 HG2 ARG A 28 3.178 -7.730 -1.873 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.036 -9.434 -1.489 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.620 -7.133 -0.095 1.00 1.48 H new ATOM 0 HD3 ARG A 28 0.888 -8.329 -1.145 1.00 1.48 H new ATOM 0 HE ARG A 28 2.208 -9.611 1.083 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.689 -7.804 0.158 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.667 -8.491 1.459 1.00 1.47 H new ATOM 0 HH21 ARG A 28 0.943 -10.476 2.748 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -0.748 -9.994 2.915 1.00 1.92 H new ATOM 451 N TYR A 29 2.673 -5.963 1.866 1.00 1.17 N ATOM 452 CA TYR A 29 1.967 -5.716 3.116 1.00 1.13 C ATOM 453 C TYR A 29 0.462 -5.879 2.925 1.00 1.01 C ATOM 454 O TYR A 29 -0.069 -5.591 1.852 1.00 1.00 O ATOM 455 CB TYR A 29 2.268 -4.310 3.635 1.00 1.13 C ATOM 456 CG TYR A 29 3.332 -4.270 4.708 1.00 1.30 C ATOM 457 CD1 TYR A 29 3.050 -4.673 6.008 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.614 -3.824 4.421 1.00 1.60 C ATOM 459 CE1 TYR A 29 4.018 -4.631 6.994 1.00 1.82 C ATOM 460 CE2 TYR A 29 5.589 -3.782 5.400 1.00 1.88 C ATOM 461 CZ TYR A 29 5.285 -4.187 6.684 1.00 1.91 C ATOM 462 OH TYR A 29 6.251 -4.139 7.663 1.00 2.29 O ATOM 0 H TYR A 29 2.242 -5.531 1.049 1.00 1.17 H new ATOM 0 HA TYR A 29 2.313 -6.447 3.847 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.584 -3.685 2.800 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.350 -3.875 4.030 1.00 1.13 H new ATOM 0 HD1 TYR A 29 2.058 -5.025 6.252 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.854 -3.505 3.418 1.00 1.60 H new ATOM 0 HE1 TYR A 29 3.783 -4.944 8.000 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.583 -3.434 5.161 1.00 1.88 H new ATOM 0 HH TYR A 29 7.089 -3.804 7.280 1.00 2.29 H new ATOM 472 N ASP A 30 -0.213 -6.347 3.966 1.00 0.98 N ATOM 473 CA ASP A 30 -1.656 -6.545 3.930 1.00 0.90 C ATOM 474 C ASP A 30 -2.322 -5.499 4.810 1.00 0.84 C ATOM 475 O ASP A 30 -2.045 -5.428 6.008 1.00 0.96 O ATOM 476 CB ASP A 30 -2.017 -7.949 4.419 1.00 0.97 C ATOM 477 CG ASP A 30 -3.137 -8.585 3.621 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.896 -8.955 2.450 1.00 1.28 O ATOM 479 OD2 ASP A 30 -4.249 -8.749 4.167 1.00 1.34 O ATOM 0 H ASP A 30 0.221 -6.599 4.854 1.00 0.98 H new ATOM 0 HA ASP A 30 -2.008 -6.441 2.904 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.133 -8.585 4.365 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.309 -7.898 5.468 1.00 0.97 H new ATOM 484 N LEU A 31 -3.179 -4.679 4.225 1.00 0.71 N ATOM 485 CA LEU A 31 -3.842 -3.626 4.982 1.00 0.66 C ATOM 486 C LEU A 31 -5.353 -3.685 4.798 1.00 0.58 C ATOM 487 O LEU A 31 -5.840 -4.014 3.721 1.00 0.59 O ATOM 488 CB LEU A 31 -3.306 -2.255 4.549 1.00 0.66 C ATOM 489 CG LEU A 31 -3.037 -1.251 5.679 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.317 -0.535 6.083 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.418 -1.945 6.884 1.00 0.98 C ATOM 0 H LEU A 31 -3.432 -4.719 3.238 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.627 -3.777 6.040 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.379 -2.407 3.997 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -4.020 -1.810 3.856 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.330 -0.510 5.307 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -4.101 0.171 6.885 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.720 0.003 5.225 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -5.048 -1.265 6.429 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -2.236 -1.214 7.672 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -3.099 -2.712 7.252 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.474 -2.407 6.593 1.00 0.98 H new ATOM 503 N LEU A 32 -6.082 -3.375 5.862 1.00 0.55 N ATOM 504 CA LEU A 32 -7.539 -3.377 5.828 1.00 0.52 C ATOM 505 C LEU A 32 -8.057 -2.141 5.099 1.00 0.43 C ATOM 506 O LEU A 32 -7.458 -1.071 5.175 1.00 0.43 O ATOM 507 CB LEU A 32 -8.100 -3.412 7.252 1.00 0.60 C ATOM 508 CG LEU A 32 -9.623 -3.314 7.355 1.00 0.73 C ATOM 509 CD1 LEU A 32 -10.252 -4.699 7.373 1.00 0.94 C ATOM 510 CD2 LEU A 32 -10.024 -2.528 8.592 1.00 0.85 C ATOM 0 H LEU A 32 -5.685 -3.117 6.765 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.870 -4.266 5.292 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.778 -4.338 7.729 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.660 -2.592 7.819 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.992 -2.784 6.476 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.335 -4.606 7.447 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.995 -5.227 6.455 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.877 -5.258 8.230 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.111 -2.469 8.649 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.641 -3.029 9.481 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.608 -1.522 8.535 1.00 0.85 H new ATOM 522 N VAL A 33 -9.166 -2.301 4.394 1.00 0.41 N ATOM 523 CA VAL A 33 -9.776 -1.204 3.652 1.00 0.36 C ATOM 524 C VAL A 33 -10.409 -0.189 4.599 1.00 0.41 C ATOM 525 O VAL A 33 -10.981 -0.560 5.630 1.00 0.51 O ATOM 526 CB VAL A 33 -10.840 -1.738 2.670 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.707 -0.618 2.108 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.174 -2.504 1.543 1.00 0.56 C ATOM 0 H VAL A 33 -9.667 -3.186 4.319 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.988 -0.707 3.086 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.494 -2.411 3.225 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.443 -1.037 1.421 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.221 -0.111 2.925 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.079 0.096 1.575 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.935 -2.876 0.857 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.493 -1.843 1.007 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.615 -3.344 1.955 1.00 0.56 H new ATOM 538 N THR A 34 -10.302 1.084 4.245 1.00 0.39 N ATOM 539 CA THR A 34 -10.860 2.155 5.051 1.00 0.48 C ATOM 540 C THR A 34 -12.390 2.157 4.960 1.00 0.59 C ATOM 541 O THR A 34 -12.957 2.412 3.895 1.00 0.65 O ATOM 542 CB THR A 34 -10.312 3.519 4.601 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.953 3.378 4.162 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.380 4.532 5.737 1.00 0.64 C ATOM 0 H THR A 34 -9.830 1.399 3.398 1.00 0.39 H new ATOM 0 HA THR A 34 -10.566 1.983 6.086 1.00 0.48 H new ATOM 0 HB THR A 34 -10.927 3.880 3.776 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.939 2.997 3.259 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.987 5.489 5.395 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.416 4.657 6.052 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.786 4.176 6.578 1.00 0.64 H new ATOM 552 N PRO A 35 -13.072 1.872 6.082 1.00 0.73 N ATOM 553 CA PRO A 35 -14.528 1.821 6.135 1.00 0.89 C ATOM 554 C PRO A 35 -15.161 3.189 6.385 1.00 0.93 C ATOM 555 O PRO A 35 -14.569 4.220 6.062 1.00 0.93 O ATOM 556 CB PRO A 35 -14.768 0.885 7.316 1.00 1.07 C ATOM 557 CG PRO A 35 -13.638 1.155 8.250 1.00 1.07 C ATOM 558 CD PRO A 35 -12.469 1.581 7.397 1.00 0.82 C ATOM 0 HA PRO A 35 -14.973 1.491 5.196 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.729 1.084 7.790 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.779 -0.158 6.999 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.902 1.936 8.963 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.392 0.265 8.829 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.972 2.458 7.811 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.719 0.793 7.326 1.00 0.82 H new ATOM 566 N GLN A 36 -16.368 3.178 6.958 1.00 1.02 N ATOM 567 CA GLN A 36 -17.110 4.401 7.271 1.00 1.13 C ATOM 568 C GLN A 36 -17.569 5.098 5.995 1.00 1.16 C ATOM 569 O GLN A 36 -17.522 6.325 5.884 1.00 1.24 O ATOM 570 CB GLN A 36 -16.268 5.349 8.135 1.00 1.16 C ATOM 571 CG GLN A 36 -16.041 4.844 9.553 1.00 1.38 C ATOM 572 CD GLN A 36 -14.987 5.643 10.297 1.00 1.95 C ATOM 573 OE1 GLN A 36 -14.762 6.817 10.006 1.00 2.47 O ATOM 574 NE2 GLN A 36 -14.341 5.015 11.269 1.00 2.33 N ATOM 0 H GLN A 36 -16.857 2.321 7.217 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.995 4.120 7.843 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.302 5.503 7.654 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.760 6.320 8.179 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.980 4.887 10.104 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.740 3.797 9.518 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -14.558 4.041 11.479 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -13.627 5.506 11.807 1.00 2.33 H new ATOM 583 N GLN A 37 -18.020 4.306 5.033 1.00 1.15 N ATOM 584 CA GLN A 37 -18.496 4.845 3.770 1.00 1.23 C ATOM 585 C GLN A 37 -19.658 4.015 3.237 1.00 1.30 C ATOM 586 O GLN A 37 -20.819 4.379 3.413 1.00 1.64 O ATOM 587 CB GLN A 37 -17.363 4.893 2.742 1.00 1.16 C ATOM 588 CG GLN A 37 -17.706 5.701 1.500 1.00 1.33 C ATOM 589 CD GLN A 37 -18.061 7.140 1.819 1.00 1.52 C ATOM 590 OE1 GLN A 37 -17.068 8.013 1.801 1.00 1.79 O flip ATOM 591 NE2 GLN A 37 -19.220 7.466 2.077 1.00 1.82 N flip ATOM 0 H GLN A 37 -18.066 3.289 5.104 1.00 1.15 H new ATOM 0 HA GLN A 37 -18.847 5.862 3.945 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.476 5.320 3.210 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.109 3.875 2.445 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -16.859 5.683 0.814 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -18.543 5.230 0.985 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.959 6.763 2.081 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -19.441 8.439 2.287 1.00 1.82 H new ATOM 600 N GLY A 38 -19.346 2.897 2.597 1.00 1.14 N ATOM 601 CA GLY A 38 -20.386 2.048 2.056 1.00 1.21 C ATOM 602 C GLY A 38 -19.924 0.621 1.863 1.00 1.14 C ATOM 603 O GLY A 38 -19.862 0.145 0.732 1.00 1.17 O ATOM 0 H GLY A 38 -18.394 2.564 2.443 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.246 2.061 2.725 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.720 2.451 1.100 1.00 1.21 H new ATOM 607 N ASN A 39 -19.627 -0.052 2.979 1.00 1.13 N ATOM 608 CA ASN A 39 -19.158 -1.452 3.004 1.00 1.11 C ATOM 609 C ASN A 39 -18.109 -1.769 1.932 1.00 0.97 C ATOM 610 O ASN A 39 -16.916 -1.596 2.169 1.00 0.89 O ATOM 611 CB ASN A 39 -20.323 -2.468 2.946 1.00 1.30 C ATOM 612 CG ASN A 39 -21.512 -2.018 2.115 1.00 1.40 C ATOM 613 OD1 ASN A 39 -21.579 -2.275 0.915 1.00 1.84 O ATOM 614 ND2 ASN A 39 -22.459 -1.349 2.753 1.00 1.70 N ATOM 0 H ASN A 39 -19.705 0.362 3.908 1.00 1.13 H new ATOM 0 HA ASN A 39 -18.663 -1.560 3.969 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.948 -3.408 2.541 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -20.662 -2.671 3.962 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -23.284 -1.026 2.248 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -22.364 -1.157 3.750 1.00 1.70 H new ATOM 621 N SER A 40 -18.548 -2.236 0.766 1.00 1.02 N ATOM 622 CA SER A 40 -17.632 -2.590 -0.315 1.00 0.95 C ATOM 623 C SER A 40 -17.021 -1.350 -0.971 1.00 0.87 C ATOM 624 O SER A 40 -16.024 -1.445 -1.689 1.00 0.82 O ATOM 625 CB SER A 40 -18.365 -3.431 -1.360 1.00 1.07 C ATOM 626 OG SER A 40 -19.772 -3.319 -1.207 1.00 1.30 O ATOM 0 H SER A 40 -19.534 -2.378 0.545 1.00 1.02 H new ATOM 0 HA SER A 40 -16.815 -3.170 0.115 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.077 -3.107 -2.360 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.067 -4.475 -1.266 1.00 1.07 H new ATOM 0 HG SER A 40 -20.219 -3.864 -1.887 1.00 1.30 H new ATOM 632 N GLU A 41 -17.630 -0.199 -0.730 1.00 0.92 N ATOM 633 CA GLU A 41 -17.148 1.054 -1.287 1.00 0.88 C ATOM 634 C GLU A 41 -16.385 1.848 -0.232 1.00 0.81 C ATOM 635 O GLU A 41 -16.975 2.354 0.728 1.00 0.90 O ATOM 636 CB GLU A 41 -18.312 1.876 -1.844 1.00 1.02 C ATOM 637 CG GLU A 41 -18.504 1.702 -3.340 1.00 1.34 C ATOM 638 CD GLU A 41 -19.913 1.290 -3.700 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.795 2.170 -3.757 1.00 1.83 O ATOM 640 OE2 GLU A 41 -20.144 0.090 -3.938 1.00 1.73 O ATOM 0 H GLU A 41 -18.463 -0.108 -0.149 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.466 0.828 -2.106 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.230 1.589 -1.330 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.141 2.930 -1.626 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.262 2.637 -3.845 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -17.804 0.951 -3.708 1.00 1.34 H new ATOM 647 N PRO A 42 -15.055 1.939 -0.385 1.00 0.69 N ATOM 648 CA PRO A 42 -14.187 2.671 0.541 1.00 0.67 C ATOM 649 C PRO A 42 -14.300 4.186 0.387 1.00 0.69 C ATOM 650 O PRO A 42 -14.968 4.687 -0.519 1.00 0.77 O ATOM 651 CB PRO A 42 -12.771 2.217 0.156 1.00 0.60 C ATOM 652 CG PRO A 42 -12.940 1.115 -0.840 1.00 0.62 C ATOM 653 CD PRO A 42 -14.285 1.315 -1.466 1.00 0.64 C ATOM 0 HA PRO A 42 -14.456 2.464 1.577 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.201 3.042 -0.270 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.223 1.869 1.031 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.152 1.148 -1.593 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.878 0.141 -0.356 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.231 1.956 -2.346 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.727 0.371 -1.785 1.00 0.64 H new ATOM 661 N VAL A 43 -13.636 4.913 1.281 1.00 0.67 N ATOM 662 CA VAL A 43 -13.651 6.371 1.253 1.00 0.72 C ATOM 663 C VAL A 43 -12.652 6.909 0.231 1.00 0.65 C ATOM 664 O VAL A 43 -11.817 6.168 -0.282 1.00 0.58 O ATOM 665 CB VAL A 43 -13.323 6.969 2.639 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.369 6.564 3.665 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.936 6.547 3.104 1.00 0.67 C ATOM 0 H VAL A 43 -13.079 4.514 2.036 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.660 6.670 0.969 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.335 8.055 2.542 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.116 6.997 4.633 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.347 6.926 3.350 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.394 5.478 3.749 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.732 6.983 4.082 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.891 5.460 3.174 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.191 6.896 2.389 1.00 0.67 H new ATOM 677 N VAL A 44 -12.718 8.212 -0.040 1.00 0.72 N ATOM 678 CA VAL A 44 -11.815 8.841 -1.008 1.00 0.71 C ATOM 679 C VAL A 44 -10.393 8.958 -0.466 1.00 0.66 C ATOM 680 O VAL A 44 -9.476 9.342 -1.188 1.00 0.68 O ATOM 681 CB VAL A 44 -12.299 10.243 -1.438 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.150 10.160 -2.696 1.00 1.06 C ATOM 683 CG2 VAL A 44 -13.071 10.919 -0.318 1.00 0.98 C ATOM 0 H VAL A 44 -13.384 8.852 0.394 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.818 8.185 -1.879 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.419 10.847 -1.658 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.479 11.160 -2.979 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -12.561 9.729 -3.506 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.020 9.532 -2.506 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.401 11.905 -0.647 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.940 10.314 -0.058 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.428 11.024 0.556 1.00 0.98 H new ATOM 693 N GLN A 45 -10.218 8.622 0.803 1.00 0.66 N ATOM 694 CA GLN A 45 -8.909 8.675 1.441 1.00 0.65 C ATOM 695 C GLN A 45 -8.356 7.267 1.637 1.00 0.57 C ATOM 696 O GLN A 45 -7.265 7.087 2.174 1.00 0.62 O ATOM 697 CB GLN A 45 -9.013 9.385 2.793 1.00 0.74 C ATOM 698 CG GLN A 45 -8.231 10.686 2.862 1.00 1.07 C ATOM 699 CD GLN A 45 -8.820 11.675 3.847 1.00 1.44 C ATOM 700 OE1 GLN A 45 -10.028 11.692 4.086 1.00 1.88 O ATOM 701 NE2 GLN A 45 -7.972 12.513 4.420 1.00 1.94 N ATOM 0 H GLN A 45 -10.971 8.308 1.416 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.230 9.232 0.796 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -10.062 9.590 3.006 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.655 8.714 3.574 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -7.200 10.470 3.143 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -8.203 11.140 1.872 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -6.978 12.466 4.195 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -8.312 13.206 5.087 1.00 1.94 H new ATOM 710 N ASP A 46 -9.120 6.275 1.184 1.00 0.49 N ATOM 711 CA ASP A 46 -8.740 4.869 1.322 1.00 0.42 C ATOM 712 C ASP A 46 -7.414 4.566 0.641 1.00 0.41 C ATOM 713 O ASP A 46 -6.478 4.091 1.277 1.00 0.46 O ATOM 714 CB ASP A 46 -9.828 3.968 0.738 1.00 0.38 C ATOM 715 CG ASP A 46 -9.399 2.515 0.661 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.343 1.857 1.722 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.128 2.029 -0.468 1.00 0.31 O ATOM 0 H ASP A 46 -10.014 6.420 0.714 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.625 4.670 2.388 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.727 4.046 1.349 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.090 4.320 -0.260 1.00 0.38 H new ATOM 722 N LEU A 47 -7.342 4.872 -0.649 1.00 0.46 N ATOM 723 CA LEU A 47 -6.145 4.623 -1.452 1.00 0.54 C ATOM 724 C LEU A 47 -4.882 5.164 -0.785 1.00 0.56 C ATOM 725 O LEU A 47 -3.808 4.587 -0.922 1.00 0.65 O ATOM 726 CB LEU A 47 -6.298 5.249 -2.839 1.00 0.66 C ATOM 727 CG LEU A 47 -6.309 6.781 -2.864 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.670 7.296 -4.139 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.728 7.310 -2.727 1.00 1.00 C ATOM 0 H LEU A 47 -8.108 5.299 -1.169 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.039 3.542 -1.543 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.483 4.897 -3.471 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.225 4.887 -3.283 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.727 7.142 -2.016 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.687 8.386 -4.140 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.638 6.949 -4.195 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.225 6.924 -5.000 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.714 8.400 -2.747 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.336 6.940 -3.553 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -8.153 6.970 -1.783 1.00 1.00 H new ATOM 741 N ALA A 48 -5.020 6.265 -0.064 1.00 0.58 N ATOM 742 CA ALA A 48 -3.891 6.876 0.611 1.00 0.69 C ATOM 743 C ALA A 48 -3.628 6.198 1.951 1.00 0.67 C ATOM 744 O ALA A 48 -2.487 5.876 2.288 1.00 0.76 O ATOM 745 CB ALA A 48 -4.153 8.361 0.804 1.00 0.83 C ATOM 0 H ALA A 48 -5.906 6.753 0.068 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.002 6.749 -0.007 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.303 8.817 1.311 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.293 8.835 -0.167 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.051 8.497 1.407 1.00 0.83 H new ATOM 751 N GLN A 49 -4.698 5.958 2.696 1.00 0.60 N ATOM 752 CA GLN A 49 -4.608 5.335 4.010 1.00 0.62 C ATOM 753 C GLN A 49 -4.026 3.926 3.931 1.00 0.59 C ATOM 754 O GLN A 49 -3.283 3.511 4.817 1.00 0.66 O ATOM 755 CB GLN A 49 -5.994 5.293 4.656 1.00 0.62 C ATOM 756 CG GLN A 49 -5.989 5.650 6.136 1.00 0.95 C ATOM 757 CD GLN A 49 -5.259 6.948 6.424 1.00 1.27 C ATOM 758 OE1 GLN A 49 -5.853 8.026 6.413 1.00 1.86 O ATOM 759 NE2 GLN A 49 -3.968 6.848 6.698 1.00 1.43 N ATOM 0 H GLN A 49 -5.649 6.188 2.409 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.934 5.936 4.621 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.653 5.982 4.127 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.412 4.294 4.533 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.017 5.730 6.489 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.521 4.842 6.699 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -3.516 5.934 6.696 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -3.426 7.685 6.911 1.00 1.43 H new ATOM 768 N LEU A 50 -4.357 3.205 2.864 1.00 0.52 N ATOM 769 CA LEU A 50 -3.877 1.838 2.671 1.00 0.53 C ATOM 770 C LEU A 50 -2.354 1.762 2.689 1.00 0.65 C ATOM 771 O LEU A 50 -1.772 0.953 3.409 1.00 0.72 O ATOM 772 CB LEU A 50 -4.396 1.275 1.346 1.00 0.46 C ATOM 773 CG LEU A 50 -5.917 1.209 1.213 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.309 0.681 -0.156 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.515 0.346 2.311 1.00 0.40 C ATOM 0 H LEU A 50 -4.959 3.546 2.115 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.258 1.243 3.501 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.003 1.885 0.533 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.993 0.271 1.215 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.314 2.218 1.319 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.396 0.641 -0.233 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.915 1.342 -0.928 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.898 -0.320 -0.291 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.599 0.312 2.198 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.111 -0.664 2.240 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.265 0.770 3.284 1.00 0.40 H new ATOM 787 N VAL A 51 -1.711 2.608 1.901 1.00 0.70 N ATOM 788 CA VAL A 51 -0.256 2.613 1.824 1.00 0.84 C ATOM 789 C VAL A 51 0.361 3.257 3.057 1.00 0.90 C ATOM 790 O VAL A 51 1.405 2.815 3.542 1.00 1.01 O ATOM 791 CB VAL A 51 0.262 3.340 0.567 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.062 2.389 -0.308 1.00 1.56 C ATOM 793 CG2 VAL A 51 -0.877 3.957 -0.226 1.00 1.37 C ATOM 0 H VAL A 51 -2.170 3.299 1.307 1.00 0.70 H new ATOM 0 HA VAL A 51 0.046 1.567 1.768 1.00 0.84 H new ATOM 0 HB VAL A 51 0.916 4.147 0.897 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.419 2.920 -1.190 1.00 1.56 H new ATOM 0 HG12 VAL A 51 1.913 2.006 0.255 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.428 1.558 -0.617 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.477 4.462 -1.105 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -1.568 3.174 -0.540 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -1.405 4.679 0.397 1.00 1.37 H new ATOM 803 N GLU A 52 -0.289 4.292 3.566 1.00 0.86 N ATOM 804 CA GLU A 52 0.201 5.000 4.739 1.00 0.93 C ATOM 805 C GLU A 52 0.209 4.093 5.964 1.00 0.95 C ATOM 806 O GLU A 52 1.244 3.910 6.608 1.00 1.07 O ATOM 807 CB GLU A 52 -0.659 6.235 5.006 1.00 0.91 C ATOM 808 CG GLU A 52 -0.157 7.097 6.153 1.00 1.13 C ATOM 809 CD GLU A 52 -0.798 8.467 6.178 1.00 1.17 C ATOM 810 OE1 GLU A 52 -1.879 8.611 6.790 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.228 9.407 5.585 1.00 1.40 O ATOM 0 H GLU A 52 -1.160 4.661 3.184 1.00 0.86 H new ATOM 0 HA GLU A 52 1.226 5.314 4.542 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.700 6.840 4.100 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.679 5.916 5.223 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.356 6.590 7.097 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.924 7.208 6.073 1.00 1.13 H new ATOM 818 N GLU A 53 -0.939 3.492 6.255 1.00 0.86 N ATOM 819 CA GLU A 53 -1.087 2.617 7.416 1.00 0.89 C ATOM 820 C GLU A 53 -0.455 1.249 7.188 1.00 0.93 C ATOM 821 O GLU A 53 -0.484 0.391 8.067 1.00 1.01 O ATOM 822 CB GLU A 53 -2.567 2.445 7.756 1.00 0.85 C ATOM 823 CG GLU A 53 -3.244 3.731 8.192 1.00 1.33 C ATOM 824 CD GLU A 53 -3.540 3.754 9.672 1.00 1.45 C ATOM 825 OE1 GLU A 53 -2.594 3.901 10.468 1.00 1.99 O ATOM 826 OE2 GLU A 53 -4.726 3.619 10.045 1.00 1.81 O ATOM 0 H GLU A 53 -1.788 3.595 5.699 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.566 3.091 8.248 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.087 2.048 6.885 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.665 1.705 8.551 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -2.606 4.578 7.939 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -4.174 3.855 7.637 1.00 1.33 H new ATOM 833 N ALA A 54 0.120 1.043 6.012 1.00 0.93 N ATOM 834 CA ALA A 54 0.756 -0.229 5.698 1.00 1.00 C ATOM 835 C ALA A 54 2.024 -0.421 6.521 1.00 1.15 C ATOM 836 O ALA A 54 2.399 -1.546 6.843 1.00 1.28 O ATOM 837 CB ALA A 54 1.067 -0.331 4.212 1.00 1.06 C ATOM 0 H ALA A 54 0.160 1.735 5.264 1.00 0.93 H new ATOM 0 HA ALA A 54 0.056 -1.023 5.956 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.541 -1.290 4.005 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.142 -0.252 3.640 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.741 0.476 3.925 1.00 1.06 H new ATOM 843 N THR A 55 2.695 0.682 6.842 1.00 1.21 N ATOM 844 CA THR A 55 3.923 0.627 7.629 1.00 1.38 C ATOM 845 C THR A 55 4.163 1.936 8.384 1.00 1.40 C ATOM 846 O THR A 55 5.170 2.091 9.081 1.00 1.55 O ATOM 847 CB THR A 55 5.144 0.329 6.730 1.00 1.60 C ATOM 848 OG1 THR A 55 4.737 -0.433 5.584 1.00 1.81 O ATOM 849 CG2 THR A 55 6.201 -0.449 7.493 1.00 1.77 C ATOM 0 H THR A 55 2.410 1.623 6.570 1.00 1.21 H new ATOM 0 HA THR A 55 3.801 -0.180 8.352 1.00 1.38 H new ATOM 0 HB THR A 55 5.567 1.281 6.410 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.065 -1.352 5.669 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.050 -0.647 6.839 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.533 0.134 8.352 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.780 -1.394 7.837 1.00 1.77 H new ATOM 857 N GLY A 56 3.227 2.871 8.267 1.00 1.30 N ATOM 858 CA GLY A 56 3.382 4.151 8.931 1.00 1.34 C ATOM 859 C GLY A 56 4.285 5.070 8.136 1.00 1.42 C ATOM 860 O GLY A 56 5.280 5.579 8.652 1.00 1.55 O ATOM 0 H GLY A 56 2.368 2.766 7.727 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.406 4.618 9.061 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.798 4.000 9.927 1.00 1.34 H new ATOM 864 N VAL A 57 3.938 5.271 6.872 1.00 1.37 N ATOM 865 CA VAL A 57 4.720 6.116 5.978 1.00 1.46 C ATOM 866 C VAL A 57 3.855 7.240 5.420 1.00 1.37 C ATOM 867 O VAL A 57 2.762 6.983 4.919 1.00 1.26 O ATOM 868 CB VAL A 57 5.300 5.300 4.802 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.351 6.100 4.045 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.883 3.988 5.300 1.00 1.63 C ATOM 0 H VAL A 57 3.113 4.857 6.439 1.00 1.37 H new ATOM 0 HA VAL A 57 5.542 6.534 6.558 1.00 1.46 H new ATOM 0 HB VAL A 57 4.486 5.078 4.112 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.742 5.501 3.223 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.900 7.010 3.649 1.00 1.70 H new ATOM 0 HG13 VAL A 57 7.165 6.363 4.721 1.00 1.70 H new ATOM 0 HG21 VAL A 57 6.287 3.426 4.458 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.680 4.192 6.016 1.00 1.63 H new ATOM 0 HG23 VAL A 57 5.101 3.403 5.785 1.00 1.63 H new ATOM 880 N PRO A 58 4.324 8.496 5.512 1.00 1.45 N ATOM 881 CA PRO A 58 3.584 9.658 5.007 1.00 1.41 C ATOM 882 C PRO A 58 3.308 9.573 3.504 1.00 1.35 C ATOM 883 O PRO A 58 4.126 9.058 2.736 1.00 1.39 O ATOM 884 CB PRO A 58 4.503 10.846 5.320 1.00 1.56 C ATOM 885 CG PRO A 58 5.847 10.254 5.569 1.00 1.67 C ATOM 886 CD PRO A 58 5.603 8.885 6.127 1.00 1.63 C ATOM 0 HA PRO A 58 2.600 9.736 5.469 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.532 11.550 4.488 1.00 1.56 H new ATOM 0 HB3 PRO A 58 4.149 11.397 6.191 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.426 10.201 4.647 1.00 1.67 H new ATOM 0 HG3 PRO A 58 6.418 10.864 6.269 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.404 8.194 5.863 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.539 8.899 7.215 1.00 1.63 H new ATOM 894 N LEU A 59 2.153 10.093 3.098 1.00 1.29 N ATOM 895 CA LEU A 59 1.733 10.080 1.695 1.00 1.26 C ATOM 896 C LEU A 59 2.774 10.679 0.734 1.00 1.34 C ATOM 897 O LEU A 59 3.099 10.050 -0.268 1.00 1.35 O ATOM 898 CB LEU A 59 0.391 10.808 1.524 1.00 1.25 C ATOM 899 CG LEU A 59 -0.743 10.304 2.416 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.027 11.065 2.127 1.00 1.27 C ATOM 901 CD2 LEU A 59 -0.948 8.811 2.218 1.00 1.54 C ATOM 0 H LEU A 59 1.482 10.534 3.727 1.00 1.29 H new ATOM 0 HA LEU A 59 1.625 9.029 1.428 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.544 11.869 1.723 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.079 10.721 0.483 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.470 10.479 3.457 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.823 10.693 2.771 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -1.872 12.127 2.319 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.308 10.922 1.084 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -1.759 8.467 2.860 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.201 8.613 1.176 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.031 8.281 2.475 1.00 1.54 H new ATOM 913 N PRO A 60 3.332 11.883 1.008 1.00 1.42 N ATOM 914 CA PRO A 60 4.318 12.509 0.107 1.00 1.52 C ATOM 915 C PRO A 60 5.654 11.761 0.033 1.00 1.60 C ATOM 916 O PRO A 60 6.620 12.264 -0.538 1.00 1.79 O ATOM 917 CB PRO A 60 4.533 13.906 0.709 1.00 1.61 C ATOM 918 CG PRO A 60 3.397 14.107 1.650 1.00 1.56 C ATOM 919 CD PRO A 60 3.059 12.744 2.170 1.00 1.46 C ATOM 0 HA PRO A 60 3.949 12.512 -0.919 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.489 13.968 1.228 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.541 14.672 -0.067 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.675 14.779 2.462 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.543 14.556 1.143 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.673 12.473 3.029 1.00 1.46 H new ATOM 0 HD3 PRO A 60 2.019 12.678 2.489 1.00 1.46 H new ATOM 927 N PHE A 61 5.714 10.569 0.607 1.00 1.55 N ATOM 928 CA PHE A 61 6.935 9.779 0.588 1.00 1.63 C ATOM 929 C PHE A 61 6.780 8.562 -0.316 1.00 1.59 C ATOM 930 O PHE A 61 7.769 7.946 -0.712 1.00 1.70 O ATOM 931 CB PHE A 61 7.308 9.337 2.004 1.00 1.66 C ATOM 932 CG PHE A 61 8.114 10.352 2.768 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.666 11.658 2.906 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.316 9.995 3.358 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.400 12.585 3.616 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.056 10.922 4.069 1.00 2.25 C ATOM 937 CZ PHE A 61 9.597 12.218 4.197 1.00 2.34 C ATOM 0 H PHE A 61 4.932 10.128 1.091 1.00 1.55 H new ATOM 0 HA PHE A 61 7.735 10.404 0.191 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.395 9.121 2.559 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.874 8.407 1.946 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.731 11.952 2.452 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.679 8.982 3.262 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.038 13.598 3.717 1.00 2.23 H new ATOM 0 HE2 PHE A 61 10.992 10.633 4.524 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.174 12.944 4.751 1.00 2.34 H new ATOM 947 N GLN A 62 5.545 8.231 -0.659 1.00 1.47 N ATOM 948 CA GLN A 62 5.284 7.078 -1.504 1.00 1.44 C ATOM 949 C GLN A 62 4.320 7.430 -2.634 1.00 1.40 C ATOM 950 O GLN A 62 3.229 7.952 -2.402 1.00 1.55 O ATOM 951 CB GLN A 62 4.738 5.917 -0.666 1.00 1.38 C ATOM 952 CG GLN A 62 3.567 6.287 0.234 1.00 1.35 C ATOM 953 CD GLN A 62 3.278 5.219 1.272 1.00 1.64 C ATOM 954 OE1 GLN A 62 3.550 4.038 1.062 1.00 2.14 O ATOM 955 NE2 GLN A 62 2.723 5.625 2.400 1.00 1.66 N ATOM 0 H GLN A 62 4.712 8.742 -0.367 1.00 1.47 H new ATOM 0 HA GLN A 62 6.226 6.768 -1.956 1.00 1.44 H new ATOM 0 HB2 GLN A 62 4.426 5.116 -1.336 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.544 5.520 -0.049 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.782 7.230 0.737 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.678 6.447 -0.377 1.00 1.35 H new ATOM 0 HE21 GLN A 62 2.512 6.613 2.538 1.00 1.66 H new ATOM 0 HE22 GLN A 62 2.506 4.950 3.133 1.00 1.66 H new ATOM 964 N LYS A 63 4.733 7.135 -3.859 1.00 1.42 N ATOM 965 CA LYS A 63 3.924 7.429 -5.032 1.00 1.38 C ATOM 966 C LYS A 63 2.905 6.321 -5.301 1.00 1.27 C ATOM 967 O LYS A 63 3.199 5.354 -6.003 1.00 1.31 O ATOM 968 CB LYS A 63 4.828 7.615 -6.251 1.00 1.51 C ATOM 969 CG LYS A 63 4.132 8.239 -7.449 1.00 1.64 C ATOM 970 CD LYS A 63 5.016 8.189 -8.682 1.00 1.73 C ATOM 971 CE LYS A 63 4.409 8.964 -9.839 1.00 1.94 C ATOM 972 NZ LYS A 63 4.525 10.434 -9.649 1.00 2.29 N ATOM 0 H LYS A 63 5.627 6.690 -4.066 1.00 1.42 H new ATOM 0 HA LYS A 63 3.374 8.350 -4.841 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.675 8.241 -5.970 1.00 1.51 H new ATOM 0 HB3 LYS A 63 5.231 6.645 -6.543 1.00 1.51 H new ATOM 0 HG2 LYS A 63 3.198 7.713 -7.646 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.873 9.274 -7.225 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.997 8.600 -8.444 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.168 7.151 -8.979 1.00 1.73 H new ATOM 0 HE2 LYS A 63 4.906 8.678 -10.766 1.00 1.94 H new ATOM 0 HE3 LYS A 63 3.358 8.694 -9.944 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 4.160 10.923 -10.491 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 3.973 10.721 -8.816 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.523 10.688 -9.507 1.00 2.29 H new ATOM 986 N LEU A 64 1.720 6.463 -4.719 1.00 1.16 N ATOM 987 CA LEU A 64 0.642 5.491 -4.905 1.00 1.06 C ATOM 988 C LEU A 64 0.051 5.629 -6.309 1.00 1.05 C ATOM 989 O LEU A 64 -0.381 6.716 -6.699 1.00 1.06 O ATOM 990 CB LEU A 64 -0.454 5.702 -3.838 1.00 0.98 C ATOM 991 CG LEU A 64 -1.582 4.651 -3.772 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.692 4.968 -4.767 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.044 3.247 -4.006 1.00 1.06 C ATOM 0 H LEU A 64 1.478 7.245 -4.111 1.00 1.16 H new ATOM 0 HA LEU A 64 1.048 4.486 -4.792 1.00 1.06 H new ATOM 0 HB2 LEU A 64 0.028 5.743 -2.861 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -0.910 6.677 -4.009 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.003 4.691 -2.767 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.472 4.210 -4.696 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.116 5.946 -4.540 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.284 4.975 -5.778 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.863 2.530 -3.953 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.579 3.195 -4.991 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.304 3.009 -3.242 1.00 1.06 H new ATOM 1005 N ILE A 65 0.046 4.533 -7.063 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.491 4.536 -8.420 1.00 1.08 C ATOM 1007 C ILE A 65 -1.219 3.227 -8.733 1.00 1.05 C ATOM 1008 O ILE A 65 -0.658 2.321 -9.354 1.00 1.15 O ATOM 1009 CB ILE A 65 0.616 4.765 -9.477 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.940 4.135 -9.021 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.793 6.255 -9.752 1.00 1.42 C ATOM 1012 CD1 ILE A 65 3.030 4.180 -10.071 1.00 1.42 C ATOM 0 H ILE A 65 0.408 3.630 -6.756 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.199 5.363 -8.469 1.00 1.08 H new ATOM 0 HB ILE A 65 0.311 4.280 -10.404 1.00 1.22 H new ATOM 0 HG12 ILE A 65 2.288 4.651 -8.126 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.761 3.097 -8.741 1.00 1.27 H new ATOM 0 HG21 ILE A 65 1.575 6.397 -10.498 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.143 6.670 -10.125 1.00 1.42 H new ATOM 0 HG23 ILE A 65 1.074 6.764 -8.830 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.934 3.717 -9.677 1.00 1.42 H new ATOM 0 HD12 ILE A 65 2.703 3.639 -10.959 1.00 1.42 H new ATOM 0 HD13 ILE A 65 3.239 5.217 -10.335 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.468 3.126 -8.297 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.275 1.935 -8.540 1.00 0.91 C ATOM 1026 C PHE A 66 -4.748 2.242 -8.300 1.00 0.84 C ATOM 1027 O PHE A 66 -5.086 3.318 -7.805 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.832 0.771 -7.646 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.517 -0.497 -8.399 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.174 -0.813 -9.578 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.557 -1.375 -7.923 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.879 -1.977 -10.263 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -1.259 -2.540 -8.602 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.919 -2.841 -9.774 1.00 1.16 C ATOM 0 H PHE A 66 -2.947 3.857 -7.771 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.132 1.639 -9.579 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.950 1.075 -7.082 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.619 0.564 -6.920 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.926 -0.142 -9.966 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -1.034 -1.145 -7.007 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.399 -2.211 -11.180 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.510 -3.215 -8.215 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.686 -3.750 -10.308 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.613 1.294 -8.666 1.00 0.87 N ATOM 1045 CA LYS A 67 -7.064 1.430 -8.508 1.00 0.89 C ATOM 1046 C LYS A 67 -7.614 2.553 -9.391 1.00 0.84 C ATOM 1047 O LYS A 67 -8.757 2.981 -9.228 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.448 1.675 -7.036 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.210 0.478 -6.122 1.00 0.69 C ATOM 1050 CD LYS A 67 -8.308 0.340 -5.071 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.833 0.737 -3.678 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.870 0.464 -2.638 1.00 0.54 N ATOM 0 H LYS A 67 -5.327 0.407 -9.082 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.513 0.489 -8.826 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.878 2.525 -6.660 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.501 1.951 -6.988 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.163 -0.432 -6.720 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.245 0.585 -5.627 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -9.157 0.962 -5.353 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.661 -0.691 -5.051 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -6.922 0.190 -3.435 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -7.580 1.797 -3.669 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.731 1.107 -1.832 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -9.816 0.616 -3.043 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -8.786 -0.521 -2.314 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.802 3.011 -10.336 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.220 4.076 -11.226 1.00 0.93 C ATOM 1068 C GLY A 68 -7.175 5.430 -10.549 1.00 0.94 C ATOM 1069 O GLY A 68 -7.969 6.320 -10.858 1.00 1.05 O ATOM 0 H GLY A 68 -5.858 2.662 -10.502 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.575 4.088 -12.105 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.233 3.879 -11.577 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.256 5.581 -9.603 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.114 6.830 -8.867 1.00 0.93 C ATOM 1075 C LYS A 69 -4.681 7.028 -8.394 1.00 0.96 C ATOM 1076 O LYS A 69 -3.889 6.082 -8.358 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.062 6.849 -7.662 1.00 0.92 C ATOM 1078 CG LYS A 69 -7.619 5.479 -7.297 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.336 5.485 -5.959 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.391 6.577 -5.882 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.470 6.392 -6.886 1.00 1.50 N ATOM 0 H LYS A 69 -5.597 4.853 -9.328 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.372 7.646 -9.542 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.532 7.257 -6.801 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.892 7.523 -7.875 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -8.309 5.151 -8.075 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -6.805 4.755 -7.267 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -8.806 4.515 -5.795 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -7.609 5.626 -5.159 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -9.826 6.589 -4.883 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -8.918 7.547 -6.035 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.347 6.828 -6.537 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.192 6.842 -7.782 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -10.628 5.376 -7.043 1.00 1.50 H new ATOM 1095 N SER A 70 -4.358 8.260 -8.037 1.00 0.95 N ATOM 1096 CA SER A 70 -3.032 8.601 -7.554 1.00 1.00 C ATOM 1097 C SER A 70 -3.112 9.071 -6.105 1.00 0.93 C ATOM 1098 O SER A 70 -4.176 9.490 -5.650 1.00 0.89 O ATOM 1099 CB SER A 70 -2.425 9.688 -8.439 1.00 1.17 C ATOM 1100 OG SER A 70 -3.400 10.227 -9.323 1.00 1.46 O ATOM 0 H SER A 70 -5.005 9.048 -8.074 1.00 0.95 H new ATOM 0 HA SER A 70 -2.393 7.719 -7.597 1.00 1.00 H new ATOM 0 HB2 SER A 70 -2.015 10.483 -7.816 1.00 1.17 H new ATOM 0 HB3 SER A 70 -1.597 9.274 -9.014 1.00 1.17 H new ATOM 0 HG SER A 70 -3.967 10.862 -8.837 1.00 1.46 H new ATOM 1106 N LEU A 71 -1.990 8.991 -5.390 1.00 1.01 N ATOM 1107 CA LEU A 71 -1.920 9.399 -3.982 1.00 0.99 C ATOM 1108 C LEU A 71 -2.542 10.778 -3.748 1.00 1.00 C ATOM 1109 O LEU A 71 -2.111 11.775 -4.333 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.464 9.394 -3.487 1.00 1.11 C ATOM 1111 CG LEU A 71 0.459 10.436 -4.126 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.532 10.872 -3.144 1.00 1.35 C ATOM 1113 CD2 LEU A 71 1.095 9.891 -5.390 1.00 1.28 C ATOM 0 H LEU A 71 -1.107 8.644 -5.765 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.499 8.671 -3.413 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.466 9.550 -2.408 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.043 8.405 -3.665 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.145 11.304 -4.392 1.00 1.24 H new ATOM 0 HD11 LEU A 71 2.178 11.612 -3.616 1.00 1.35 H new ATOM 0 HD12 LEU A 71 1.063 11.309 -2.263 1.00 1.35 H new ATOM 0 HD13 LEU A 71 2.127 10.008 -2.848 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.746 10.649 -5.826 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.681 9.004 -5.149 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.316 9.628 -6.105 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.565 10.814 -2.900 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.264 12.049 -2.568 1.00 0.99 C ATOM 1127 C LYS A 72 -5.360 11.757 -1.549 1.00 0.95 C ATOM 1128 O LYS A 72 -5.782 10.609 -1.404 1.00 0.92 O ATOM 1129 CB LYS A 72 -4.876 12.683 -3.823 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.125 14.180 -3.694 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.784 14.746 -4.941 1.00 1.29 C ATOM 1132 CE LYS A 72 -4.820 14.798 -6.114 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.505 15.194 -7.371 1.00 1.90 N ATOM 0 H LYS A 72 -3.932 9.989 -2.425 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.547 12.752 -2.143 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.212 12.506 -4.669 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -5.819 12.185 -4.048 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.759 14.371 -2.828 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.180 14.693 -3.516 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.646 14.134 -5.206 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -6.157 15.749 -4.732 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -4.020 15.506 -5.897 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.354 13.821 -6.246 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -4.845 15.104 -8.169 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -6.326 14.575 -7.529 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -5.825 16.181 -7.296 1.00 1.90 H new ATOM 1147 N GLU A 73 -5.807 12.791 -0.846 1.00 1.00 N ATOM 1148 CA GLU A 73 -6.867 12.647 0.147 1.00 1.01 C ATOM 1149 C GLU A 73 -8.224 12.526 -0.536 1.00 0.98 C ATOM 1150 O GLU A 73 -9.220 12.160 0.092 1.00 1.01 O ATOM 1151 CB GLU A 73 -6.879 13.843 1.106 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.607 13.993 1.927 1.00 1.33 C ATOM 1153 CD GLU A 73 -4.528 14.799 1.228 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -4.685 15.120 0.030 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -3.508 15.107 1.877 1.00 1.98 O ATOM 0 H GLU A 73 -5.451 13.742 -0.945 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.672 11.739 0.718 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.037 14.755 0.530 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.727 13.743 1.784 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -5.850 14.472 2.875 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.216 13.003 2.161 1.00 1.33 H new ATOM 1162 N MET A 74 -8.253 12.855 -1.820 1.00 1.01 N ATOM 1163 CA MET A 74 -9.472 12.783 -2.613 1.00 1.03 C ATOM 1164 C MET A 74 -9.145 12.906 -4.099 1.00 1.05 C ATOM 1165 O MET A 74 -8.924 14.004 -4.609 1.00 1.16 O ATOM 1166 CB MET A 74 -10.465 13.877 -2.198 1.00 1.15 C ATOM 1167 CG MET A 74 -9.860 15.272 -2.123 1.00 1.26 C ATOM 1168 SD MET A 74 -11.107 16.567 -1.997 1.00 1.65 S ATOM 1169 CE MET A 74 -10.067 18.025 -1.975 1.00 1.77 C ATOM 0 H MET A 74 -7.436 13.178 -2.339 1.00 1.01 H new ATOM 0 HA MET A 74 -9.937 11.814 -2.431 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.292 13.889 -2.908 1.00 1.15 H new ATOM 0 HB3 MET A 74 -10.884 13.622 -1.225 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.195 15.329 -1.261 1.00 1.26 H new ATOM 0 HG3 MET A 74 -9.249 15.447 -3.009 1.00 1.26 H new ATOM 0 HE1 MET A 74 -10.691 18.916 -1.900 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.395 17.979 -1.118 1.00 1.77 H new ATOM 0 HE3 MET A 74 -9.482 18.068 -2.894 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.088 11.775 -4.785 1.00 1.07 N ATOM 1180 CA GLU A 75 -8.788 11.770 -6.210 1.00 1.14 C ATOM 1181 C GLU A 75 -10.051 11.472 -7.024 1.00 1.13 C ATOM 1182 O GLU A 75 -10.844 12.370 -7.298 1.00 1.31 O ATOM 1183 CB GLU A 75 -7.681 10.754 -6.520 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.153 10.838 -7.945 1.00 1.28 C ATOM 1185 CD GLU A 75 -6.360 12.103 -8.204 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -6.979 13.178 -8.373 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -5.115 12.028 -8.249 1.00 1.89 O ATOM 0 H GLU A 75 -9.245 10.852 -4.381 1.00 1.07 H new ATOM 0 HA GLU A 75 -8.430 12.759 -6.494 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -6.854 10.908 -5.826 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.063 9.749 -6.342 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -6.522 9.972 -8.146 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -7.990 10.791 -8.641 1.00 1.28 H new ATOM 1194 N THR A 76 -10.246 10.210 -7.390 1.00 1.06 N ATOM 1195 CA THR A 76 -11.409 9.809 -8.166 1.00 1.09 C ATOM 1196 C THR A 76 -12.523 9.295 -7.247 1.00 1.04 C ATOM 1197 O THR A 76 -12.245 8.874 -6.120 1.00 0.98 O ATOM 1198 CB THR A 76 -11.031 8.729 -9.203 1.00 1.13 C ATOM 1199 OG1 THR A 76 -9.799 8.096 -8.828 1.00 1.07 O ATOM 1200 CG2 THR A 76 -10.875 9.339 -10.586 1.00 1.29 C ATOM 0 H THR A 76 -9.610 9.446 -7.160 1.00 1.06 H new ATOM 0 HA THR A 76 -11.776 10.686 -8.699 1.00 1.09 H new ATOM 0 HB THR A 76 -11.833 7.991 -9.228 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.429 7.618 -9.599 1.00 1.07 H new ATOM 0 HG21 THR A 76 -10.609 8.559 -11.300 1.00 1.29 H new ATOM 0 HG22 THR A 76 -11.815 9.802 -10.888 1.00 1.29 H new ATOM 0 HG23 THR A 76 -10.089 10.094 -10.564 1.00 1.29 H new ATOM 1208 N PRO A 77 -13.787 9.334 -7.724 1.00 1.12 N ATOM 1209 CA PRO A 77 -14.981 8.900 -6.960 1.00 1.14 C ATOM 1210 C PRO A 77 -14.837 7.552 -6.243 1.00 1.01 C ATOM 1211 O PRO A 77 -13.953 6.744 -6.560 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.055 8.800 -8.042 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.665 9.816 -9.053 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.161 9.827 -9.070 1.00 1.24 C ATOM 0 HA PRO A 77 -15.191 9.598 -6.150 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.088 7.801 -8.477 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.046 9.004 -7.637 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.065 9.563 -10.035 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.060 10.798 -8.792 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -13.765 9.183 -9.856 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -13.771 10.828 -9.252 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.749 7.309 -5.296 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.760 6.076 -4.501 1.00 0.97 C ATOM 1224 C LEU A 78 -15.945 4.850 -5.386 1.00 0.95 C ATOM 1225 O LEU A 78 -15.414 3.779 -5.101 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.884 6.123 -3.461 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.967 7.411 -2.642 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -18.231 7.417 -1.800 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -15.740 7.567 -1.761 1.00 1.22 C ATOM 0 H LEU A 78 -16.498 7.959 -5.059 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.797 6.001 -3.996 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.835 5.976 -3.972 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.757 5.285 -2.776 1.00 1.07 H new ATOM 0 HG LEU A 78 -17.002 8.256 -3.330 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -18.278 8.340 -1.221 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -19.102 7.352 -2.451 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.221 6.564 -1.122 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -15.819 8.490 -1.187 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -15.672 6.720 -1.079 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -14.847 7.603 -2.384 1.00 1.22 H new ATOM 1241 N SER A 79 -16.698 5.016 -6.463 1.00 1.07 N ATOM 1242 CA SER A 79 -16.948 3.935 -7.403 1.00 1.12 C ATOM 1243 C SER A 79 -15.643 3.464 -8.041 1.00 1.00 C ATOM 1244 O SER A 79 -15.533 2.332 -8.510 1.00 1.04 O ATOM 1245 CB SER A 79 -17.924 4.424 -8.468 1.00 1.31 C ATOM 1246 OG SER A 79 -18.742 5.465 -7.950 1.00 1.68 O ATOM 0 H SER A 79 -17.150 5.897 -6.708 1.00 1.07 H new ATOM 0 HA SER A 79 -17.382 3.086 -6.875 1.00 1.12 H new ATOM 0 HB2 SER A 79 -17.373 4.784 -9.337 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.548 3.597 -8.806 1.00 1.31 H new ATOM 0 HG SER A 79 -19.362 5.770 -8.645 1.00 1.68 H new ATOM 1252 N ALA A 80 -14.646 4.341 -8.027 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.343 4.034 -8.590 1.00 0.88 C ATOM 1254 C ALA A 80 -12.334 3.780 -7.477 1.00 0.74 C ATOM 1255 O ALA A 80 -11.128 3.907 -7.676 1.00 0.81 O ATOM 1256 CB ALA A 80 -12.875 5.170 -9.490 1.00 1.02 C ATOM 0 H ALA A 80 -14.720 5.277 -7.628 1.00 0.93 H new ATOM 0 HA ALA A 80 -13.426 3.130 -9.193 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -11.897 4.926 -9.905 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -13.589 5.309 -10.302 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -12.803 6.089 -8.908 1.00 1.02 H new ATOM 1262 N LEU A 81 -12.831 3.447 -6.291 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.965 3.166 -5.152 1.00 0.55 C ATOM 1264 C LEU A 81 -11.699 1.672 -5.055 1.00 0.52 C ATOM 1265 O LEU A 81 -11.125 1.193 -4.075 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.604 3.651 -3.845 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.835 4.727 -3.071 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.369 4.357 -2.928 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.989 6.082 -3.741 1.00 0.75 C ATOM 0 H LEU A 81 -13.828 3.365 -6.093 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.026 3.698 -5.304 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.597 4.038 -4.073 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.740 2.790 -3.190 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.261 4.790 -2.070 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.849 5.139 -2.375 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.283 3.413 -2.390 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.922 4.253 -3.917 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.436 6.832 -3.176 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.598 6.032 -4.757 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.044 6.355 -3.771 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.118 0.941 -6.078 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.934 -0.491 -6.086 1.00 0.62 C ATOM 1283 C GLY A 82 -12.983 -1.180 -5.246 1.00 0.63 C ATOM 1284 O GLY A 82 -12.687 -1.691 -4.166 1.00 0.64 O ATOM 0 H GLY A 82 -12.583 1.318 -6.904 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.983 -0.861 -7.110 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.942 -0.735 -5.706 1.00 0.62 H new ATOM 1288 N MET A 83 -14.216 -1.175 -5.740 1.00 0.84 N ATOM 1289 CA MET A 83 -15.341 -1.788 -5.037 1.00 1.01 C ATOM 1290 C MET A 83 -15.256 -3.310 -5.101 1.00 0.98 C ATOM 1291 O MET A 83 -15.985 -3.967 -5.844 1.00 1.26 O ATOM 1292 CB MET A 83 -16.669 -1.291 -5.619 1.00 1.34 C ATOM 1293 CG MET A 83 -16.735 -1.340 -7.141 1.00 1.54 C ATOM 1294 SD MET A 83 -18.055 -0.319 -7.818 1.00 2.03 S ATOM 1295 CE MET A 83 -17.792 -0.560 -9.571 1.00 2.27 C ATOM 0 H MET A 83 -14.465 -0.749 -6.633 1.00 0.84 H new ATOM 0 HA MET A 83 -15.294 -1.493 -3.989 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.481 -1.893 -5.211 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.837 -0.265 -5.291 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.781 -1.011 -7.552 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.880 -2.372 -7.460 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.533 0.010 -10.132 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.792 -0.218 -9.839 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.890 -1.619 -9.811 1.00 2.27 H new ATOM 1305 N GLN A 84 -14.343 -3.851 -4.316 1.00 0.89 N ATOM 1306 CA GLN A 84 -14.114 -5.282 -4.242 1.00 0.89 C ATOM 1307 C GLN A 84 -13.363 -5.594 -2.958 1.00 0.84 C ATOM 1308 O GLN A 84 -13.357 -4.780 -2.037 1.00 1.06 O ATOM 1309 CB GLN A 84 -13.328 -5.763 -5.468 1.00 0.92 C ATOM 1310 CG GLN A 84 -12.034 -4.999 -5.708 1.00 0.99 C ATOM 1311 CD GLN A 84 -11.546 -5.097 -7.143 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -10.345 -5.142 -7.399 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -12.473 -5.115 -8.092 1.00 1.38 N ATOM 0 H GLN A 84 -13.734 -3.305 -3.707 1.00 0.89 H new ATOM 0 HA GLN A 84 -15.069 -5.808 -4.236 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -13.097 -6.821 -5.347 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.961 -5.674 -6.351 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -12.185 -3.950 -5.452 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -11.263 -5.383 -5.040 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -13.461 -5.076 -7.841 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -12.198 -5.168 -9.073 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.717 -6.745 -2.895 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.978 -7.124 -1.701 1.00 0.78 C ATOM 1324 C ASN A 85 -10.638 -6.404 -1.622 1.00 0.72 C ATOM 1325 O ASN A 85 -9.586 -6.995 -1.867 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.765 -8.643 -1.616 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.270 -9.278 -2.905 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.719 -8.945 -4.000 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.344 -10.214 -2.778 1.00 1.09 N ATOM 0 H ASN A 85 -12.688 -7.430 -3.650 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.587 -6.819 -0.850 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.048 -8.854 -0.822 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.705 -9.115 -1.330 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.979 -10.686 -3.605 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.995 -10.464 -1.853 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.695 -5.110 -1.322 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.492 -4.311 -1.167 1.00 0.57 C ATOM 1338 C GLY A 86 -8.832 -3.903 -2.467 1.00 0.51 C ATOM 1339 O GLY A 86 -8.518 -2.721 -2.651 1.00 0.49 O ATOM 0 H GLY A 86 -11.564 -4.595 -1.182 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.740 -3.412 -0.603 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.773 -4.873 -0.571 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.615 -4.883 -3.345 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.963 -4.679 -4.641 1.00 0.62 C ATOM 1345 C CYS A 87 -6.444 -4.688 -4.448 1.00 0.65 C ATOM 1346 O CYS A 87 -5.938 -5.303 -3.505 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.432 -3.379 -5.320 1.00 0.62 C ATOM 1348 SG CYS A 87 -8.079 -3.280 -7.091 1.00 0.79 S ATOM 0 H CYS A 87 -8.889 -5.851 -3.176 1.00 0.59 H new ATOM 0 HA CYS A 87 -8.246 -5.495 -5.306 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.507 -3.275 -5.171 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.958 -2.534 -4.821 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.931 -4.012 -7.745 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.718 -4.026 -5.334 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.265 -3.981 -5.243 1.00 0.77 C ATOM 1356 C ARG A 88 -3.776 -2.539 -5.245 1.00 0.75 C ATOM 1357 O ARG A 88 -4.348 -1.687 -5.926 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.624 -4.739 -6.413 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.730 -6.256 -6.320 1.00 1.03 C ATOM 1360 CD ARG A 88 -5.077 -6.769 -6.818 1.00 1.11 C ATOM 1361 NE ARG A 88 -5.326 -6.414 -8.216 1.00 1.27 N ATOM 1362 CZ ARG A 88 -6.542 -6.340 -8.765 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -7.627 -6.598 -8.038 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -6.672 -6.011 -10.042 1.00 1.74 N ATOM 0 H ARG A 88 -6.109 -3.513 -6.124 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.972 -4.459 -4.308 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -4.092 -4.411 -7.341 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.571 -4.465 -6.473 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.931 -6.711 -6.905 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.585 -6.566 -5.285 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.113 -7.853 -6.709 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.872 -6.360 -6.195 1.00 1.11 H new ATOM 0 HE ARG A 88 -4.521 -6.210 -8.808 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -7.533 -6.854 -7.055 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -8.552 -6.539 -8.464 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -5.844 -5.815 -10.605 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -7.600 -5.954 -10.462 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.733 -2.267 -4.470 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.154 -0.928 -4.403 1.00 0.79 C ATOM 1380 C VAL A 89 -0.632 -1.010 -4.422 1.00 0.92 C ATOM 1381 O VAL A 89 -0.022 -1.723 -3.624 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.613 -0.132 -3.155 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -4.037 0.373 -3.326 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.494 -0.968 -1.893 1.00 0.69 C ATOM 0 H VAL A 89 -2.269 -2.956 -3.878 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.513 -0.391 -5.281 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.952 0.729 -3.053 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.335 0.928 -2.437 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.089 1.027 -4.197 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.709 -0.474 -3.467 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.823 -0.381 -1.035 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -3.118 -1.857 -1.985 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.455 -1.266 -1.751 1.00 0.69 H new ATOM 1394 N MET A 90 -0.024 -0.288 -5.349 1.00 0.97 N ATOM 1395 CA MET A 90 1.423 -0.281 -5.480 1.00 1.10 C ATOM 1396 C MET A 90 1.937 1.145 -5.412 1.00 1.14 C ATOM 1397 O MET A 90 1.269 2.079 -5.865 1.00 1.13 O ATOM 1398 CB MET A 90 1.857 -0.940 -6.797 1.00 1.21 C ATOM 1399 CG MET A 90 1.717 -0.045 -8.021 1.00 1.49 C ATOM 1400 SD MET A 90 1.999 -0.934 -9.562 1.00 1.66 S ATOM 1401 CE MET A 90 2.121 0.427 -10.719 1.00 2.09 C ATOM 0 H MET A 90 -0.512 0.302 -6.023 1.00 0.97 H new ATOM 0 HA MET A 90 1.849 -0.856 -4.658 1.00 1.10 H new ATOM 0 HB2 MET A 90 2.897 -1.253 -6.707 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.265 -1.842 -6.951 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.719 0.392 -8.035 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.425 0.780 -7.947 1.00 1.49 H new ATOM 0 HE1 MET A 90 2.296 0.037 -11.722 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.192 0.998 -10.708 1.00 2.09 H new ATOM 0 HE3 MET A 90 2.949 1.075 -10.432 1.00 2.09 H new ATOM 1411 N LEU A 91 3.116 1.315 -4.843 1.00 1.21 N ATOM 1412 CA LEU A 91 3.705 2.633 -4.711 1.00 1.27 C ATOM 1413 C LEU A 91 5.183 2.606 -5.071 1.00 1.41 C ATOM 1414 O LEU A 91 5.857 1.585 -4.916 1.00 1.47 O ATOM 1415 CB LEU A 91 3.478 3.226 -3.294 1.00 1.22 C ATOM 1416 CG LEU A 91 4.184 2.568 -2.081 1.00 1.27 C ATOM 1417 CD1 LEU A 91 3.953 1.067 -2.026 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.676 2.883 -2.055 1.00 1.42 C ATOM 0 H LEU A 91 3.684 0.557 -4.465 1.00 1.21 H new ATOM 0 HA LEU A 91 3.199 3.291 -5.417 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.781 4.273 -3.323 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.406 3.210 -3.099 1.00 1.22 H new ATOM 0 HG LEU A 91 3.731 3.004 -1.190 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.467 0.651 -1.159 1.00 1.25 H new ATOM 0 HD12 LEU A 91 2.885 0.866 -1.945 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.341 0.606 -2.934 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.134 2.404 -1.190 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.143 2.509 -2.966 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.819 3.962 -1.990 1.00 1.42 H new ATOM 1430 N ILE A 92 5.666 3.731 -5.565 1.00 1.50 N ATOM 1431 CA ILE A 92 7.061 3.874 -5.938 1.00 1.65 C ATOM 1432 C ILE A 92 7.744 4.852 -4.990 1.00 1.71 C ATOM 1433 O ILE A 92 7.180 5.895 -4.650 1.00 1.89 O ATOM 1434 CB ILE A 92 7.202 4.353 -7.401 1.00 1.74 C ATOM 1435 CG1 ILE A 92 6.644 3.283 -8.345 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.657 4.662 -7.736 1.00 1.96 C ATOM 1437 CD1 ILE A 92 6.770 3.628 -9.811 1.00 1.79 C ATOM 0 H ILE A 92 5.105 4.569 -5.719 1.00 1.50 H new ATOM 0 HA ILE A 92 7.543 2.899 -5.861 1.00 1.65 H new ATOM 0 HB ILE A 92 6.632 5.273 -7.527 1.00 1.74 H new ATOM 0 HG12 ILE A 92 7.162 2.343 -8.158 1.00 1.66 H new ATOM 0 HG13 ILE A 92 5.592 3.119 -8.110 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.729 4.997 -8.771 1.00 1.96 H new ATOM 0 HG22 ILE A 92 9.024 5.447 -7.074 1.00 1.96 H new ATOM 0 HG23 ILE A 92 9.260 3.764 -7.603 1.00 1.96 H new ATOM 0 HD11 ILE A 92 6.352 2.820 -10.412 1.00 1.79 H new ATOM 0 HD12 ILE A 92 6.227 4.551 -10.016 1.00 1.79 H new ATOM 0 HD13 ILE A 92 7.822 3.762 -10.064 1.00 1.79 H new ATOM 1449 N GLY A 93 8.935 4.494 -4.546 1.00 1.73 N ATOM 1450 CA GLY A 93 9.676 5.338 -3.635 1.00 1.80 C ATOM 1451 C GLY A 93 10.185 4.549 -2.454 1.00 1.84 C ATOM 1452 O GLY A 93 10.219 3.317 -2.501 1.00 1.89 O ATOM 0 H GLY A 93 9.406 3.626 -4.802 1.00 1.73 H new ATOM 0 HA2 GLY A 93 10.515 5.795 -4.159 1.00 1.80 H new ATOM 0 HA3 GLY A 93 9.038 6.150 -3.286 1.00 1.80 H new ATOM 1456 N GLU A 94 10.570 5.236 -1.394 1.00 1.88 N ATOM 1457 CA GLU A 94 11.072 4.562 -0.211 1.00 1.97 C ATOM 1458 C GLU A 94 9.984 4.448 0.844 1.00 1.80 C ATOM 1459 O GLU A 94 9.249 5.399 1.101 1.00 1.84 O ATOM 1460 CB GLU A 94 12.283 5.292 0.365 1.00 2.22 C ATOM 1461 CG GLU A 94 13.041 4.471 1.395 1.00 2.66 C ATOM 1462 CD GLU A 94 14.184 5.234 2.018 1.00 2.63 C ATOM 1463 OE1 GLU A 94 15.204 5.446 1.335 1.00 3.03 O ATOM 1464 OE2 GLU A 94 14.072 5.626 3.197 1.00 2.85 O ATOM 0 H GLU A 94 10.545 6.254 -1.328 1.00 1.88 H new ATOM 0 HA GLU A 94 11.382 3.560 -0.507 1.00 1.97 H new ATOM 0 HB2 GLU A 94 12.959 5.558 -0.447 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.953 6.224 0.824 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.353 4.152 2.178 1.00 2.66 H new ATOM 0 HG3 GLU A 94 13.427 3.568 0.922 1.00 2.66 H new ATOM 1471 N LYS A 95 9.886 3.276 1.445 1.00 1.82 N ATOM 1472 CA LYS A 95 8.897 3.027 2.476 1.00 1.72 C ATOM 1473 C LYS A 95 9.604 2.849 3.814 1.00 1.77 C ATOM 1474 O LYS A 95 10.281 1.841 4.045 1.00 1.96 O ATOM 1475 CB LYS A 95 8.068 1.786 2.129 1.00 1.81 C ATOM 1476 CG LYS A 95 6.617 1.864 2.576 1.00 1.79 C ATOM 1477 CD LYS A 95 5.685 1.271 1.533 1.00 2.06 C ATOM 1478 CE LYS A 95 4.318 0.958 2.115 1.00 2.15 C ATOM 1479 NZ LYS A 95 4.353 -0.253 2.974 1.00 2.38 N ATOM 0 H LYS A 95 10.484 2.477 1.234 1.00 1.82 H new ATOM 0 HA LYS A 95 8.217 3.876 2.543 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.097 1.633 1.050 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.532 0.913 2.587 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.496 1.332 3.519 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.346 2.904 2.760 1.00 1.79 H new ATOM 0 HD2 LYS A 95 5.576 1.969 0.703 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.125 0.360 1.127 1.00 2.06 H new ATOM 0 HE2 LYS A 95 3.967 1.809 2.699 1.00 2.15 H new ATOM 0 HE3 LYS A 95 3.603 0.810 1.306 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 3.496 -0.819 2.811 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 5.192 -0.821 2.740 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.395 0.031 3.973 1.00 2.38 H new ATOM 1493 N SER A 96 9.481 3.853 4.667 1.00 1.80 N ATOM 1494 CA SER A 96 10.109 3.839 5.978 1.00 1.92 C ATOM 1495 C SER A 96 9.359 2.933 6.948 1.00 1.83 C ATOM 1496 O SER A 96 8.314 2.375 6.613 1.00 1.95 O ATOM 1497 CB SER A 96 10.165 5.263 6.521 1.00 2.15 C ATOM 1498 OG SER A 96 10.497 6.176 5.491 1.00 2.38 O ATOM 0 H SER A 96 8.945 4.698 4.471 1.00 1.80 H new ATOM 0 HA SER A 96 11.119 3.442 5.875 1.00 1.92 H new ATOM 0 HB2 SER A 96 9.202 5.531 6.955 1.00 2.15 H new ATOM 0 HB3 SER A 96 10.903 5.324 7.321 1.00 2.15 H new ATOM 0 HG SER A 96 10.527 7.085 5.857 1.00 2.38 H new ATOM 1504 N ASN A 97 9.903 2.798 8.149 1.00 1.89 N ATOM 1505 CA ASN A 97 9.308 1.969 9.183 1.00 1.93 C ATOM 1506 C ASN A 97 9.987 2.258 10.508 1.00 2.29 C ATOM 1507 O ASN A 97 11.199 1.988 10.614 1.00 2.53 O ATOM 1508 CB ASN A 97 9.449 0.479 8.839 1.00 1.89 C ATOM 1509 CG ASN A 97 8.829 -0.428 9.891 1.00 2.00 C ATOM 1510 OD1 ASN A 97 7.785 0.049 10.547 1.00 2.24 O flip ATOM 1511 ND2 ASN A 97 9.281 -1.557 10.101 1.00 1.96 N flip ATOM 1512 OXT ASN A 97 9.326 2.777 11.423 1.00 2.61 O ATOM 0 H ASN A 97 10.767 3.260 8.432 1.00 1.89 H new ATOM 0 HA ASN A 97 8.246 2.203 9.253 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.977 0.287 7.876 1.00 1.89 H new ATOM 0 HB3 ASN A 97 10.506 0.234 8.731 1.00 1.89 H new ATOM 0 HD21 ASN A 97 10.089 -1.889 9.574 1.00 1.96 H new ATOM 0 HD22 ASN A 97 8.847 -2.158 10.802 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 24.544 6.307 6.158 1.00 5.24 N ATOM 1521 CA ARG B 185 23.245 6.882 5.740 1.00 5.09 C ATOM 1522 C ARG B 185 22.114 6.306 6.582 1.00 5.04 C ATOM 1523 O ARG B 185 22.121 5.123 6.922 1.00 4.90 O ATOM 1524 CB ARG B 185 22.978 6.609 4.253 1.00 4.43 C ATOM 1525 CG ARG B 185 22.965 5.132 3.893 1.00 4.00 C ATOM 1526 CD ARG B 185 22.037 4.847 2.721 1.00 3.44 C ATOM 1527 NE ARG B 185 22.664 5.122 1.428 1.00 3.76 N ATOM 1528 CZ ARG B 185 22.036 4.991 0.256 1.00 3.61 C ATOM 1529 NH1 ARG B 185 20.756 4.630 0.220 1.00 3.10 N ATOM 1530 NH2 ARG B 185 22.685 5.214 -0.881 1.00 4.24 N ATOM 0 HA ARG B 185 23.290 7.960 5.892 1.00 5.09 H new ATOM 0 HB2 ARG B 185 22.019 7.049 3.979 1.00 4.43 H new ATOM 0 HB3 ARG B 185 23.741 7.112 3.658 1.00 4.43 H new ATOM 0 HG2 ARG B 185 23.976 4.809 3.644 1.00 4.00 H new ATOM 0 HG3 ARG B 185 22.648 4.549 4.758 1.00 4.00 H new ATOM 0 HD2 ARG B 185 21.725 3.803 2.755 1.00 3.44 H new ATOM 0 HD3 ARG B 185 21.136 5.452 2.820 1.00 3.44 H new ATOM 0 HE ARG B 185 23.636 5.431 1.421 1.00 3.76 H new ATOM 0 HH11 ARG B 185 20.252 4.452 1.089 1.00 3.10 H new ATOM 0 HH12 ARG B 185 20.279 4.531 -0.676 1.00 3.10 H new ATOM 0 HH21 ARG B 185 23.668 5.487 -0.862 1.00 4.24 H new ATOM 0 HH22 ARG B 185 22.201 5.113 -1.773 1.00 4.24 H new ATOM 1546 N TYR B 186 21.144 7.143 6.907 1.00 5.30 N ATOM 1547 CA TYR B 186 20.001 6.719 7.706 1.00 5.40 C ATOM 1548 C TYR B 186 18.804 6.422 6.806 1.00 4.76 C ATOM 1549 O TYR B 186 17.778 7.098 6.860 1.00 4.97 O ATOM 1550 CB TYR B 186 19.641 7.783 8.755 1.00 6.21 C ATOM 1551 CG TYR B 186 19.822 9.208 8.278 1.00 6.50 C ATOM 1552 CD1 TYR B 186 21.042 9.860 8.424 1.00 7.04 C ATOM 1553 CD2 TYR B 186 18.777 9.902 7.683 1.00 6.39 C ATOM 1554 CE1 TYR B 186 21.213 11.158 7.987 1.00 7.46 C ATOM 1555 CE2 TYR B 186 18.940 11.199 7.243 1.00 6.82 C ATOM 1556 CZ TYR B 186 20.159 11.823 7.398 1.00 7.36 C ATOM 1557 OH TYR B 186 20.322 13.117 6.958 1.00 7.91 O ATOM 0 H TYR B 186 21.123 8.124 6.630 1.00 5.30 H new ATOM 0 HA TYR B 186 20.272 5.805 8.234 1.00 5.40 H new ATOM 0 HB2 TYR B 186 18.604 7.642 9.059 1.00 6.21 H new ATOM 0 HB3 TYR B 186 20.256 7.627 9.641 1.00 6.21 H new ATOM 0 HD1 TYR B 186 21.869 9.342 8.887 1.00 7.04 H new ATOM 0 HD2 TYR B 186 17.819 9.418 7.563 1.00 6.39 H new ATOM 0 HE1 TYR B 186 22.167 11.650 8.106 1.00 7.46 H new ATOM 0 HE2 TYR B 186 18.117 11.723 6.780 1.00 6.82 H new ATOM 0 HH TYR B 186 19.483 13.438 6.567 1.00 7.91 H new ATOM 1567 N HIS B 187 18.954 5.420 5.955 1.00 4.11 N ATOM 1568 CA HIS B 187 17.890 5.025 5.043 1.00 3.50 C ATOM 1569 C HIS B 187 17.825 3.510 4.937 1.00 2.93 C ATOM 1570 O HIS B 187 18.523 2.906 4.121 1.00 2.65 O ATOM 1571 CB HIS B 187 18.093 5.641 3.654 1.00 3.36 C ATOM 1572 CG HIS B 187 17.538 7.026 3.512 1.00 3.78 C ATOM 1573 ND1 HIS B 187 16.282 7.286 3.013 1.00 4.02 N ATOM 1574 CD2 HIS B 187 18.078 8.232 3.802 1.00 4.34 C ATOM 1575 CE1 HIS B 187 16.074 8.588 2.996 1.00 4.46 C ATOM 1576 NE2 HIS B 187 17.148 9.185 3.473 1.00 4.67 N ATOM 0 H HIS B 187 19.805 4.863 5.876 1.00 4.11 H new ATOM 0 HA HIS B 187 16.947 5.397 5.445 1.00 3.50 H new ATOM 0 HB2 HIS B 187 19.160 5.664 3.431 1.00 3.36 H new ATOM 0 HB3 HIS B 187 17.625 4.996 2.910 1.00 3.36 H new ATOM 0 HD2 HIS B 187 19.059 8.411 4.216 1.00 4.34 H new ATOM 0 HE1 HIS B 187 15.177 9.081 2.650 1.00 4.46 H new ATOM 0 HE2 HIS B 187 17.268 10.192 3.580 1.00 4.67 H new ATOM 1585 N ARG B 188 17.012 2.904 5.788 1.00 2.96 N ATOM 1586 CA ARG B 188 16.844 1.458 5.801 1.00 2.79 C ATOM 1587 C ARG B 188 16.221 0.974 4.494 1.00 2.14 C ATOM 1588 O ARG B 188 15.346 1.638 3.931 1.00 1.99 O ATOM 1589 CB ARG B 188 15.984 1.028 7.003 1.00 3.34 C ATOM 1590 CG ARG B 188 14.482 1.000 6.732 1.00 3.55 C ATOM 1591 CD ARG B 188 13.736 2.075 7.513 1.00 3.79 C ATOM 1592 NE ARG B 188 14.192 3.427 7.179 1.00 3.55 N ATOM 1593 CZ ARG B 188 13.955 4.042 6.015 1.00 3.89 C ATOM 1594 NH1 ARG B 188 13.257 3.442 5.059 1.00 4.48 N ATOM 1595 NH2 ARG B 188 14.420 5.264 5.806 1.00 4.04 N ATOM 0 H ARG B 188 16.453 3.396 6.485 1.00 2.96 H new ATOM 0 HA ARG B 188 17.828 0.999 5.898 1.00 2.79 H new ATOM 0 HB2 ARG B 188 16.301 0.035 7.323 1.00 3.34 H new ATOM 0 HB3 ARG B 188 16.178 1.707 7.833 1.00 3.34 H new ATOM 0 HG2 ARG B 188 14.304 1.139 5.666 1.00 3.55 H new ATOM 0 HG3 ARG B 188 14.085 0.020 6.996 1.00 3.55 H new ATOM 0 HD2 ARG B 188 12.668 1.994 7.308 1.00 3.79 H new ATOM 0 HD3 ARG B 188 13.870 1.903 8.581 1.00 3.79 H new ATOM 0 HE ARG B 188 14.728 3.935 7.883 1.00 3.55 H new ATOM 0 HH11 ARG B 188 12.894 2.500 5.207 1.00 4.48 H new ATOM 0 HH12 ARG B 188 13.084 3.922 4.176 1.00 4.48 H new ATOM 0 HH21 ARG B 188 14.959 5.736 6.532 1.00 4.04 H new ATOM 0 HH22 ARG B 188 14.240 5.733 4.919 1.00 4.04 H new ATOM 1609 N ARG B 189 16.683 -0.183 4.019 1.00 2.02 N ATOM 1610 CA ARG B 189 16.186 -0.779 2.781 1.00 1.77 C ATOM 1611 C ARG B 189 16.378 0.176 1.608 1.00 1.33 C ATOM 1612 O ARG B 189 15.423 0.541 0.924 1.00 1.67 O ATOM 1613 CB ARG B 189 14.709 -1.167 2.924 1.00 2.37 C ATOM 1614 CG ARG B 189 14.414 -1.951 4.193 1.00 3.12 C ATOM 1615 CD ARG B 189 12.971 -1.781 4.634 1.00 3.82 C ATOM 1616 NE ARG B 189 12.125 -2.880 4.180 1.00 4.33 N ATOM 1617 CZ ARG B 189 10.860 -2.744 3.784 1.00 4.83 C ATOM 1618 NH1 ARG B 189 10.291 -1.542 3.723 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.162 -3.814 3.439 1.00 5.48 N ATOM 0 H ARG B 189 17.409 -0.731 4.480 1.00 2.02 H new ATOM 0 HA ARG B 189 16.761 -1.683 2.583 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.100 -0.263 2.914 1.00 2.37 H new ATOM 0 HB3 ARG B 189 14.411 -1.761 2.060 1.00 2.37 H new ATOM 0 HG2 ARG B 189 14.621 -3.008 4.025 1.00 3.12 H new ATOM 0 HG3 ARG B 189 15.080 -1.619 4.989 1.00 3.12 H new ATOM 0 HD2 ARG B 189 12.930 -1.718 5.721 1.00 3.82 H new ATOM 0 HD3 ARG B 189 12.582 -0.840 4.245 1.00 3.82 H new ATOM 0 HE ARG B 189 12.530 -3.816 4.165 1.00 4.33 H new ATOM 0 HH11 ARG B 189 10.824 -0.712 3.981 1.00 4.91 H new ATOM 0 HH12 ARG B 189 9.322 -1.451 3.418 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.593 -4.738 3.477 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.193 -3.715 3.135 1.00 5.48 H new ATOM 1633 N GLY B 190 17.619 0.595 1.401 1.00 1.17 N ATOM 1634 CA GLY B 190 17.929 1.502 0.314 1.00 1.54 C ATOM 1635 C GLY B 190 19.166 1.079 -0.448 1.00 1.70 C ATOM 1636 O GLY B 190 19.933 1.922 -0.920 1.00 1.97 O ATOM 0 H GLY B 190 18.420 0.321 1.970 1.00 1.17 H new ATOM 0 HA2 GLY B 190 17.082 1.550 -0.370 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.075 2.506 0.711 1.00 1.54 H new ATOM 1640 N GLY B 191 19.362 -0.227 -0.565 1.00 1.91 N ATOM 1641 CA GLY B 191 20.515 -0.743 -1.273 1.00 2.36 C ATOM 1642 C GLY B 191 20.774 -2.200 -0.952 1.00 2.17 C ATOM 1643 O GLY B 191 19.990 -3.071 -1.327 1.00 2.71 O ATOM 0 H GLY B 191 18.741 -0.939 -0.181 1.00 1.91 H new ATOM 0 HA2 GLY B 191 20.361 -0.630 -2.346 1.00 2.36 H new ATOM 0 HA3 GLY B 191 21.394 -0.153 -1.013 1.00 2.36 H new ATOM 1647 N TYR B 192 21.866 -2.465 -0.247 1.00 1.71 N ATOM 1648 CA TYR B 192 22.219 -3.831 0.126 1.00 1.86 C ATOM 1649 C TYR B 192 21.467 -4.262 1.368 1.00 1.87 C ATOM 1650 O TYR B 192 21.279 -5.456 1.608 1.00 2.21 O ATOM 1651 CB TYR B 192 23.723 -3.956 0.368 1.00 1.91 C ATOM 1652 CG TYR B 192 24.501 -4.319 -0.870 1.00 2.45 C ATOM 1653 CD1 TYR B 192 24.064 -3.924 -2.126 1.00 2.95 C ATOM 1654 CD2 TYR B 192 25.674 -5.054 -0.781 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.774 -4.250 -3.259 1.00 3.62 C ATOM 1656 CE2 TYR B 192 26.391 -5.385 -1.911 1.00 3.41 C ATOM 1657 CZ TYR B 192 25.935 -4.981 -3.147 1.00 3.77 C ATOM 1658 OH TYR B 192 26.642 -5.304 -4.274 1.00 4.48 O ATOM 0 H TYR B 192 22.522 -1.755 0.078 1.00 1.71 H new ATOM 0 HA TYR B 192 21.938 -4.483 -0.701 1.00 1.86 H new ATOM 0 HB2 TYR B 192 24.100 -3.012 0.761 1.00 1.91 H new ATOM 0 HB3 TYR B 192 23.899 -4.712 1.133 1.00 1.91 H new ATOM 0 HD1 TYR B 192 23.152 -3.352 -2.216 1.00 2.95 H new ATOM 0 HD2 TYR B 192 26.031 -5.372 0.188 1.00 2.80 H new ATOM 0 HE1 TYR B 192 24.422 -3.934 -4.230 1.00 3.62 H new ATOM 0 HE2 TYR B 192 27.303 -5.957 -1.828 1.00 3.41 H new ATOM 0 HH TYR B 192 27.290 -6.008 -4.063 1.00 4.48 H new ATOM 1668 N ASP B 193 21.042 -3.278 2.146 1.00 2.08 N ATOM 1669 CA ASP B 193 20.307 -3.520 3.380 1.00 2.57 C ATOM 1670 C ASP B 193 19.931 -2.198 4.025 1.00 2.39 C ATOM 1671 O ASP B 193 18.780 -1.971 4.389 1.00 2.59 O ATOM 1672 CB ASP B 193 21.144 -4.356 4.353 1.00 3.18 C ATOM 1673 CG ASP B 193 20.406 -4.667 5.635 1.00 3.84 C ATOM 1674 OD1 ASP B 193 19.294 -5.224 5.570 1.00 4.22 O ATOM 1675 OD2 ASP B 193 20.943 -4.362 6.719 1.00 4.14 O ATOM 0 H ASP B 193 21.196 -2.291 1.941 1.00 2.08 H new ATOM 0 HA ASP B 193 19.400 -4.074 3.140 1.00 2.57 H new ATOM 0 HB2 ASP B 193 21.433 -5.289 3.869 1.00 3.18 H new ATOM 0 HB3 ASP B 193 22.064 -3.820 4.588 1.00 3.18 H new ATOM 1680 N VAL B 194 20.912 -1.315 4.148 1.00 2.39 N ATOM 1681 CA VAL B 194 20.685 -0.006 4.745 1.00 2.62 C ATOM 1682 C VAL B 194 21.804 0.967 4.376 1.00 2.80 C ATOM 1683 O VAL B 194 21.562 2.154 4.167 1.00 3.15 O ATOM 1684 CB VAL B 194 20.564 -0.097 6.289 1.00 3.43 C ATOM 1685 CG1 VAL B 194 21.777 -0.790 6.891 1.00 3.97 C ATOM 1686 CG2 VAL B 194 20.376 1.281 6.909 1.00 3.78 C ATOM 0 H VAL B 194 21.871 -1.481 3.843 1.00 2.39 H new ATOM 0 HA VAL B 194 19.742 0.367 4.345 1.00 2.62 H new ATOM 0 HB VAL B 194 19.680 -0.694 6.515 1.00 3.43 H new ATOM 0 HG11 VAL B 194 21.667 -0.841 7.974 1.00 3.97 H new ATOM 0 HG12 VAL B 194 21.857 -1.799 6.487 1.00 3.97 H new ATOM 0 HG13 VAL B 194 22.677 -0.227 6.644 1.00 3.97 H new ATOM 0 HG21 VAL B 194 20.294 1.185 7.992 1.00 3.78 H new ATOM 0 HG22 VAL B 194 21.232 1.910 6.664 1.00 3.78 H new ATOM 0 HG23 VAL B 194 19.467 1.736 6.516 1.00 3.78 H new ATOM 1696 N GLU B 195 23.028 0.463 4.278 1.00 2.75 N ATOM 1697 CA GLU B 195 24.160 1.308 3.947 1.00 3.12 C ATOM 1698 C GLU B 195 24.320 1.488 2.441 1.00 2.88 C ATOM 1699 O GLU B 195 23.618 0.865 1.643 1.00 2.39 O ATOM 1700 CB GLU B 195 25.448 0.752 4.557 1.00 3.40 C ATOM 1701 CG GLU B 195 25.955 1.578 5.728 1.00 4.16 C ATOM 1702 CD GLU B 195 25.879 3.068 5.457 1.00 4.65 C ATOM 1703 OE1 GLU B 195 26.261 3.497 4.350 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.423 3.820 6.345 1.00 5.02 O ATOM 0 H GLU B 195 23.258 -0.520 4.423 1.00 2.75 H new ATOM 0 HA GLU B 195 23.962 2.291 4.375 1.00 3.12 H new ATOM 0 HB2 GLU B 195 25.274 -0.271 4.890 1.00 3.40 H new ATOM 0 HB3 GLU B 195 26.219 0.710 3.788 1.00 3.40 H new ATOM 0 HG2 GLU B 195 25.369 1.342 6.617 1.00 4.16 H new ATOM 0 HG3 GLU B 195 26.987 1.302 5.944 1.00 4.16 H new ATOM 1711 N ASN B 196 25.261 2.352 2.080 1.00 3.43 N ATOM 1712 CA ASN B 196 25.549 2.677 0.687 1.00 3.64 C ATOM 1713 C ASN B 196 26.500 1.665 0.053 1.00 3.41 C ATOM 1714 O ASN B 196 26.570 1.565 -1.172 1.00 3.56 O ATOM 1715 CB ASN B 196 26.157 4.078 0.622 1.00 4.47 C ATOM 1716 CG ASN B 196 26.344 4.588 -0.792 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.398 5.047 -1.430 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.571 4.537 -1.281 1.00 5.14 N ATOM 0 H ASN B 196 25.849 2.850 2.748 1.00 3.43 H new ATOM 0 HA ASN B 196 24.616 2.642 0.124 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.516 4.770 1.168 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.122 4.071 1.128 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.761 4.886 -2.220 1.00 5.14 H new ATOM 0 HD22 ASN B 196 28.328 4.148 -0.719 1.00 5.14 H new ATOM 1725 N GLU B 197 27.208 0.916 0.906 1.00 3.29 N ATOM 1726 CA GLU B 197 28.186 -0.113 0.494 1.00 3.26 C ATOM 1727 C GLU B 197 29.151 0.388 -0.599 1.00 3.82 C ATOM 1728 O GLU B 197 29.325 1.598 -0.773 1.00 4.30 O ATOM 1729 CB GLU B 197 27.508 -1.445 0.104 1.00 2.93 C ATOM 1730 CG GLU B 197 26.255 -1.324 -0.747 1.00 3.10 C ATOM 1731 CD GLU B 197 26.529 -1.511 -2.222 1.00 3.38 C ATOM 1732 OE1 GLU B 197 27.486 -2.233 -2.563 1.00 3.60 O ATOM 1733 OE2 GLU B 197 25.780 -0.956 -3.045 1.00 3.83 O ATOM 0 H GLU B 197 27.121 1.004 1.918 1.00 3.29 H new ATOM 0 HA GLU B 197 28.797 -0.317 1.373 1.00 3.26 H new ATOM 0 HB2 GLU B 197 28.233 -2.056 -0.434 1.00 2.93 H new ATOM 0 HB3 GLU B 197 27.254 -1.983 1.017 1.00 2.93 H new ATOM 0 HG2 GLU B 197 25.526 -2.066 -0.420 1.00 3.10 H new ATOM 0 HG3 GLU B 197 25.806 -0.344 -0.587 1.00 3.10 H new ATOM 1740 N GLU B 198 29.809 -0.534 -1.309 1.00 3.91 N ATOM 1741 CA GLU B 198 30.777 -0.145 -2.338 1.00 4.52 C ATOM 1742 C GLU B 198 30.837 -1.129 -3.506 1.00 4.64 C ATOM 1743 O GLU B 198 31.853 -1.209 -4.198 1.00 5.16 O ATOM 1744 CB GLU B 198 32.169 -0.030 -1.716 1.00 4.90 C ATOM 1745 CG GLU B 198 32.589 1.395 -1.417 1.00 5.36 C ATOM 1746 CD GLU B 198 32.875 2.201 -2.668 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.453 1.644 -3.626 1.00 6.25 O ATOM 1748 OE2 GLU B 198 32.545 3.404 -2.692 1.00 6.45 O ATOM 0 H GLU B 198 29.692 -1.541 -1.193 1.00 3.91 H new ATOM 0 HA GLU B 198 30.445 0.814 -2.735 1.00 4.52 H new ATOM 0 HB2 GLU B 198 32.193 -0.607 -0.792 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.897 -0.479 -2.391 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.802 1.888 -0.845 1.00 5.36 H new ATOM 0 HG3 GLU B 198 33.479 1.382 -0.788 1.00 5.36 H new ATOM 1755 N LYS B 199 29.772 -1.872 -3.737 1.00 4.32 N ATOM 1756 CA LYS B 199 29.745 -2.829 -4.834 1.00 4.64 C ATOM 1757 C LYS B 199 28.624 -2.493 -5.810 1.00 4.89 C ATOM 1758 O LYS B 199 28.827 -2.516 -7.024 1.00 5.53 O ATOM 1759 CB LYS B 199 29.586 -4.254 -4.303 1.00 4.38 C ATOM 1760 CG LYS B 199 30.778 -4.732 -3.493 1.00 4.54 C ATOM 1761 CD LYS B 199 30.500 -6.057 -2.799 1.00 4.53 C ATOM 1762 CE LYS B 199 31.600 -6.397 -1.809 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.326 -7.662 -1.079 1.00 4.56 N ATOM 0 H LYS B 199 28.916 -1.834 -3.184 1.00 4.32 H new ATOM 0 HA LYS B 199 30.694 -2.766 -5.366 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.691 -4.305 -3.683 1.00 4.38 H new ATOM 0 HB3 LYS B 199 29.431 -4.932 -5.143 1.00 4.38 H new ATOM 0 HG2 LYS B 199 31.642 -4.840 -4.149 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.036 -3.979 -2.748 1.00 4.54 H new ATOM 0 HD2 LYS B 199 29.543 -6.005 -2.280 1.00 4.53 H new ATOM 0 HD3 LYS B 199 30.417 -6.850 -3.542 1.00 4.53 H new ATOM 0 HE2 LYS B 199 32.549 -6.483 -2.338 1.00 4.41 H new ATOM 0 HE3 LYS B 199 31.707 -5.582 -1.093 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.103 -7.855 -0.414 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 30.434 -7.573 -0.552 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.250 -8.445 -1.759 1.00 4.56 H new ATOM 1777 N VAL B 200 27.453 -2.170 -5.265 1.00 4.46 N ATOM 1778 CA VAL B 200 26.272 -1.803 -6.057 1.00 4.74 C ATOM 1779 C VAL B 200 25.954 -2.821 -7.155 1.00 5.32 C ATOM 1780 O VAL B 200 26.329 -2.639 -8.314 1.00 5.99 O ATOM 1781 CB VAL B 200 26.424 -0.409 -6.707 1.00 5.22 C ATOM 1782 CG1 VAL B 200 25.083 0.089 -7.226 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.016 0.590 -5.723 1.00 4.96 C ATOM 0 H VAL B 200 27.292 -2.154 -4.258 1.00 4.46 H new ATOM 0 HA VAL B 200 25.446 -1.788 -5.346 1.00 4.74 H new ATOM 0 HB VAL B 200 27.109 -0.504 -7.549 1.00 5.22 H new ATOM 0 HG11 VAL B 200 25.211 1.072 -7.680 1.00 5.43 H new ATOM 0 HG12 VAL B 200 24.700 -0.608 -7.971 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.377 0.160 -6.399 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.112 1.563 -6.206 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.361 0.678 -4.856 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.999 0.245 -5.402 1.00 4.96 H new ATOM 1793 N LYS B 201 25.268 -3.893 -6.783 1.00 5.18 N ATOM 1794 CA LYS B 201 24.877 -4.918 -7.746 1.00 5.84 C ATOM 1795 C LYS B 201 23.680 -5.709 -7.224 1.00 5.78 C ATOM 1796 O LYS B 201 22.778 -6.053 -7.985 1.00 6.37 O ATOM 1797 CB LYS B 201 26.053 -5.843 -8.095 1.00 6.17 C ATOM 1798 CG LYS B 201 26.537 -6.717 -6.950 1.00 5.81 C ATOM 1799 CD LYS B 201 28.023 -7.028 -7.070 1.00 6.12 C ATOM 1800 CE LYS B 201 28.345 -7.805 -8.340 1.00 6.82 C ATOM 1801 NZ LYS B 201 27.654 -9.122 -8.384 1.00 7.02 N ATOM 0 H LYS B 201 24.971 -4.077 -5.825 1.00 5.18 H new ATOM 0 HA LYS B 201 24.580 -4.420 -8.669 1.00 5.84 H new ATOM 0 HB2 LYS B 201 25.758 -6.486 -8.925 1.00 6.17 H new ATOM 0 HB3 LYS B 201 26.886 -5.233 -8.445 1.00 6.17 H new ATOM 0 HG2 LYS B 201 26.346 -6.214 -6.002 1.00 5.81 H new ATOM 0 HG3 LYS B 201 25.970 -7.648 -6.937 1.00 5.81 H new ATOM 0 HD2 LYS B 201 28.590 -6.097 -7.062 1.00 6.12 H new ATOM 0 HD3 LYS B 201 28.344 -7.604 -6.202 1.00 6.12 H new ATOM 0 HE2 LYS B 201 28.054 -7.215 -9.209 1.00 6.82 H new ATOM 0 HE3 LYS B 201 29.422 -7.959 -8.406 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 28.029 -9.685 -9.174 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 27.816 -9.629 -7.490 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 26.633 -8.974 -8.518 1.00 7.02 H new ATOM 1815 N LEU B 202 23.665 -5.975 -5.922 1.00 5.18 N ATOM 1816 CA LEU B 202 22.560 -6.698 -5.311 1.00 5.23 C ATOM 1817 C LEU B 202 21.349 -5.783 -5.189 1.00 4.95 C ATOM 1818 O LEU B 202 21.495 -4.572 -5.023 1.00 4.37 O ATOM 1819 CB LEU B 202 22.943 -7.224 -3.922 1.00 4.91 C ATOM 1820 CG LEU B 202 24.119 -8.197 -3.883 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.469 -8.535 -2.445 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.796 -9.462 -4.662 1.00 6.12 C ATOM 0 H LEU B 202 24.403 -5.701 -5.273 1.00 5.18 H new ATOM 0 HA LEU B 202 22.319 -7.549 -5.949 1.00 5.23 H new ATOM 0 HB2 LEU B 202 23.179 -6.372 -3.284 1.00 4.91 H new ATOM 0 HB3 LEU B 202 22.073 -7.717 -3.488 1.00 4.91 H new ATOM 0 HG LEU B 202 24.980 -7.719 -4.351 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.309 -9.230 -2.429 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.741 -7.624 -1.913 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.608 -8.995 -1.960 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.647 -10.142 -4.621 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.924 -9.947 -4.224 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.585 -9.206 -5.700 1.00 6.12 H new ATOM 1834 N GLY B 203 20.163 -6.356 -5.292 1.00 5.44 N ATOM 1835 CA GLY B 203 18.951 -5.575 -5.183 1.00 5.30 C ATOM 1836 C GLY B 203 17.891 -6.285 -4.371 1.00 5.32 C ATOM 1837 O GLY B 203 16.737 -5.854 -4.325 1.00 5.33 O ATOM 0 H GLY B 203 20.017 -7.353 -5.450 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.179 -4.614 -4.721 1.00 5.30 H new ATOM 0 HA3 GLY B 203 18.564 -5.365 -6.180 1.00 5.30 H new ATOM 1841 N MET B 204 18.285 -7.376 -3.726 1.00 5.45 N ATOM 1842 CA MET B 204 17.365 -8.159 -2.910 1.00 5.69 C ATOM 1843 C MET B 204 16.804 -7.332 -1.754 1.00 5.11 C ATOM 1844 O MET B 204 15.602 -7.348 -1.497 1.00 5.36 O ATOM 1845 CB MET B 204 18.054 -9.426 -2.380 1.00 6.02 C ATOM 1846 CG MET B 204 19.382 -9.166 -1.680 1.00 5.50 C ATOM 1847 SD MET B 204 20.204 -10.683 -1.149 1.00 6.01 S ATOM 1848 CE MET B 204 20.594 -11.438 -2.730 1.00 6.67 C ATOM 0 H MET B 204 19.238 -7.739 -3.752 1.00 5.45 H new ATOM 0 HA MET B 204 16.530 -8.456 -3.545 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.381 -9.928 -1.685 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.222 -10.110 -3.212 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.041 -8.618 -2.354 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.211 -8.528 -0.813 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.448 -12.106 -2.614 1.00 6.67 H new ATOM 0 HE2 MET B 204 19.734 -12.007 -3.084 1.00 6.67 H new ATOM 0 HE3 MET B 204 20.837 -10.661 -3.454 1.00 6.67 H new ATOM 1858 N THR B 205 17.670 -6.598 -1.072 1.00 4.40 N ATOM 1859 CA THR B 205 17.249 -5.778 0.054 1.00 3.86 C ATOM 1860 C THR B 205 17.174 -4.303 -0.331 1.00 3.22 C ATOM 1861 O THR B 205 17.337 -3.419 0.512 1.00 2.61 O ATOM 1862 CB THR B 205 18.216 -5.943 1.235 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.139 -7.007 0.962 1.00 3.95 O ATOM 1864 CG2 THR B 205 17.459 -6.234 2.521 1.00 4.16 C ATOM 0 H THR B 205 18.668 -6.553 -1.278 1.00 4.40 H new ATOM 0 HA THR B 205 16.255 -6.116 0.347 1.00 3.86 H new ATOM 0 HB THR B 205 18.764 -5.009 1.364 1.00 3.67 H new ATOM 0 HG1 THR B 205 20.054 -6.696 1.124 1.00 3.95 H new ATOM 0 HG21 THR B 205 18.167 -6.347 3.342 1.00 4.16 H new ATOM 0 HG22 THR B 205 16.780 -5.410 2.738 1.00 4.16 H new ATOM 0 HG23 THR B 205 16.887 -7.155 2.406 1.00 4.16 H new ATOM 1872 N ASN B 206 16.919 -4.042 -1.607 1.00 3.55 N ATOM 1873 CA ASN B 206 16.817 -2.671 -2.094 1.00 3.31 C ATOM 1874 C ASN B 206 15.476 -2.070 -1.695 1.00 3.04 C ATOM 1875 O ASN B 206 15.340 -0.857 -1.565 1.00 2.62 O ATOM 1876 CB ASN B 206 16.992 -2.622 -3.616 1.00 4.07 C ATOM 1877 CG ASN B 206 17.128 -1.203 -4.142 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.144 -0.570 -4.515 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.352 -0.697 -4.177 1.00 4.21 N ATOM 0 H ASN B 206 16.780 -4.757 -2.321 1.00 3.55 H new ATOM 0 HA ASN B 206 17.615 -2.083 -1.639 1.00 3.31 H new ATOM 0 HB2 ASN B 206 17.876 -3.196 -3.895 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.137 -3.102 -4.092 1.00 4.07 H new ATOM 0 HD21 ASN B 206 18.502 0.251 -4.523 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.144 -1.255 -3.858 1.00 4.21 H new ATOM 1886 N SER B 207 14.487 -2.935 -1.508 1.00 3.47 N ATOM 1887 CA SER B 207 13.149 -2.516 -1.114 1.00 3.42 C ATOM 1888 C SER B 207 12.366 -3.706 -0.572 1.00 3.82 C ATOM 1889 O SER B 207 11.294 -4.045 -1.075 1.00 4.01 O ATOM 1890 CB SER B 207 12.405 -1.878 -2.293 1.00 3.85 C ATOM 1891 OG SER B 207 12.807 -0.532 -2.483 1.00 3.99 O ATOM 0 H SER B 207 14.590 -3.943 -1.625 1.00 3.47 H new ATOM 0 HA SER B 207 13.241 -1.766 -0.328 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.598 -2.450 -3.201 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.331 -1.918 -2.113 1.00 3.85 H new ATOM 0 HG SER B 207 13.739 -0.426 -2.198 1.00 3.99 H new ATOM 1897 N HIS B 208 12.920 -4.349 0.446 1.00 4.12 N ATOM 1898 CA HIS B 208 12.284 -5.496 1.071 1.00 4.71 C ATOM 1899 C HIS B 208 12.613 -5.507 2.554 1.00 4.82 C ATOM 1900 O HIS B 208 11.770 -5.966 3.347 1.00 5.20 O ATOM 1901 CB HIS B 208 12.743 -6.804 0.423 1.00 5.42 C ATOM 1902 CG HIS B 208 11.908 -7.992 0.812 1.00 6.08 C ATOM 1903 ND1 HIS B 208 11.132 -8.810 0.063 1.00 6.30 N flip ATOM 1904 CD2 HIS B 208 11.815 -8.462 2.105 1.00 6.75 C flip ATOM 1905 CE1 HIS B 208 10.589 -9.741 0.912 1.00 6.95 C flip ATOM 1906 NE2 HIS B 208 11.014 -9.509 2.135 1.00 7.22 N flip ATOM 1907 OXT HIS B 208 13.699 -5.023 2.919 1.00 4.71 O ATOM 0 H HIS B 208 13.817 -4.091 0.858 1.00 4.12 H new ATOM 0 HA HIS B 208 11.206 -5.414 0.933 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.718 -6.692 -0.661 1.00 5.42 H new ATOM 0 HB3 HIS B 208 13.780 -6.993 0.700 1.00 5.42 H new ATOM 0 HD2 HIS B 208 12.320 -8.038 2.961 1.00 6.75 H new ATOM 0 HE1 HIS B 208 9.919 -10.537 0.622 1.00 6.95 H new ATOM 0 HE2 HIS B 208 10.766 -10.047 2.965 1.00 7.22 H new TER 1916 HIS B 208