USER MOD reduce.3.24.130724 H: found=0, std=0, add=1162, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1038 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: B 77 GLN : amide:sc= -0.964 K(o=0.38,f=-8.3!) USER MOD Set 1.2: B 85 SER OG : rot 69:sc= 1.34 USER MOD Set 2.1: B 31 SER OG : rot 81:sc= 1.67 USER MOD Set 2.2: B 51 MET CE :methyl -163:sc= -2.44! (180deg=-3.76!) USER MOD Set 3.1: B 28 ASN : amide:sc= -1.07 K(o=-0.64,f=-2.6) USER MOD Set 3.2: B 78 HIS : no HE2:sc= 0.43 K(o=-0.64,f=-2.6!) USER MOD Set 4.1: A 28 ASN : amide:sc= -1.08 K(o=-0.58,f=-2.6) USER MOD Set 4.2: A 78 HIS : no HE2:sc= 0.5 K(o=-0.58,f=-2.6!) USER MOD Set 5.1: A 77 GLN : amide:sc= -0.954 K(o=0.39,f=-8.3!) USER MOD Set 5.2: A 85 SER OG : rot 70:sc= 1.34 USER MOD Set 6.1: A 31 SER OG : rot 81:sc= 1.68 USER MOD Set 6.2: A 51 MET CE :methyl -160:sc= -2.35 (180deg=-3.69!) USER MOD Single : A 14 MET CE :methyl 173:sc= 0 (180deg=-0.0348) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -49:sc= 0.277 USER MOD Single : A 18 SER OG : rot 157:sc= 1.25 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0.92 (180deg=0.884) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.833 USER MOD Single : A 32 SER OG : rot 70:sc= 1.26 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0.803 (180deg=0.803) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc=-0.00696 (180deg=-0.159) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.394 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.754 F(o=-1.4!,f=-0.75) USER MOD Single : A 53 CYS SG : rot 65:sc= 1.28 USER MOD Single : A 55 SER OG : rot -82:sc= 1.08 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0461 (180deg=-0.325) USER MOD Single : A 72 SER OG : rot -73:sc= -0.411! USER MOD Single : A 75 LYS NZ :NH3+ 154:sc= 1.07 (180deg=0.0546) USER MOD Single : A 84 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.0045) USER MOD Single : A 87 SER OG : rot 119:sc= 0.607 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 14 MET CE :methyl 173:sc= 0 (180deg=-0.0284) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot -48:sc= 0.277 USER MOD Single : B 18 SER OG : rot 156:sc= 1.24 USER MOD Single : B 19 LYS NZ :NH3+ 169:sc= 0.929 (180deg=0.764) USER MOD Single : B 29 TYR OH : rot 15:sc= -0.837 USER MOD Single : B 32 SER OG : rot 68:sc= 1.27 USER MOD Single : B 36 LYS NZ :NH3+ 173:sc= 0.812 (180deg=0.705) USER MOD Single : B 37 LYS NZ :NH3+ -169:sc= -0.0288 (180deg=-0.167) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 180:sc= -0.421 USER MOD Single : B 48 ASN :FLIP amide:sc= -0.734 F(o=-1.3!,f=-0.73) USER MOD Single : B 53 CYS SG : rot 67:sc= 1.22 USER MOD Single : B 55 SER OG : rot -80:sc= 1.15 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 165:sc= -0.058 (180deg=-0.34) USER MOD Single : B 72 SER OG : rot -74:sc= -0.407 USER MOD Single : B 75 LYS NZ :NH3+ 155:sc= 1.04 (180deg=0.0384) USER MOD Single : B 84 ASN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : B 87 SER OG : rot 117:sc= 0.616 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 14 -5.551 -13.735 6.945 1.00 4.47 N ATOM 2 CA MET A 14 -6.365 -13.619 5.716 1.00 3.81 C ATOM 3 C MET A 14 -7.846 -13.485 6.052 1.00 2.82 C ATOM 4 O MET A 14 -8.275 -13.865 7.146 1.00 2.99 O ATOM 5 CB MET A 14 -6.117 -14.816 4.783 1.00 4.50 C ATOM 6 CG MET A 14 -6.110 -16.175 5.474 1.00 5.02 C ATOM 7 SD MET A 14 -7.736 -16.700 6.048 1.00 5.80 S ATOM 8 CE MET A 14 -7.319 -18.233 6.878 1.00 6.45 C ATOM 0 HA MET A 14 -6.059 -12.713 5.192 1.00 3.81 H new ATOM 0 HB2 MET A 14 -6.885 -14.821 4.010 1.00 4.50 H new ATOM 0 HB3 MET A 14 -5.160 -14.675 4.280 1.00 4.50 H new ATOM 0 HG2 MET A 14 -5.719 -16.922 4.784 1.00 5.02 H new ATOM 0 HG3 MET A 14 -5.428 -16.138 6.324 1.00 5.02 H new ATOM 0 HE1 MET A 14 -8.198 -18.618 7.394 1.00 6.45 H new ATOM 0 HE2 MET A 14 -6.980 -18.964 6.144 1.00 6.45 H new ATOM 0 HE3 MET A 14 -6.524 -18.051 7.602 1.00 6.45 H new ATOM 20 N MET A 15 -8.608 -12.899 5.120 1.00 2.12 N ATOM 21 CA MET A 15 -10.061 -12.761 5.244 1.00 1.95 C ATOM 22 C MET A 15 -10.444 -11.798 6.358 1.00 1.69 C ATOM 23 O MET A 15 -11.585 -11.781 6.821 1.00 2.48 O ATOM 24 CB MET A 15 -10.695 -14.114 5.499 1.00 2.52 C ATOM 25 CG MET A 15 -10.682 -15.040 4.296 1.00 3.07 C ATOM 26 SD MET A 15 -11.417 -16.647 4.648 1.00 3.93 S ATOM 27 CE MET A 15 -11.272 -17.435 3.048 1.00 4.73 C ATOM 0 H MET A 15 -8.231 -12.507 4.257 1.00 2.12 H new ATOM 0 HA MET A 15 -10.432 -12.353 4.304 1.00 1.95 H new ATOM 0 HB2 MET A 15 -10.172 -14.599 6.323 1.00 2.52 H new ATOM 0 HB3 MET A 15 -11.726 -13.966 5.819 1.00 2.52 H new ATOM 0 HG2 MET A 15 -11.223 -14.570 3.475 1.00 3.07 H new ATOM 0 HG3 MET A 15 -9.654 -15.180 3.962 1.00 3.07 H new ATOM 0 HE1 MET A 15 -11.685 -18.443 3.100 1.00 4.73 H new ATOM 0 HE2 MET A 15 -11.821 -16.856 2.306 1.00 4.73 H new ATOM 0 HE3 MET A 15 -10.221 -17.488 2.762 1.00 4.73 H new ATOM 37 N SER A 16 -9.484 -11.008 6.781 1.00 1.19 N ATOM 38 CA SER A 16 -9.709 -10.021 7.826 1.00 1.17 C ATOM 39 C SER A 16 -8.899 -8.758 7.546 1.00 1.05 C ATOM 40 O SER A 16 -8.567 -8.002 8.465 1.00 1.91 O ATOM 41 CB SER A 16 -9.319 -10.617 9.186 1.00 1.62 C ATOM 42 OG SER A 16 -9.793 -9.824 10.264 1.00 2.01 O ATOM 0 H SER A 16 -8.531 -11.026 6.418 1.00 1.19 H new ATOM 0 HA SER A 16 -10.765 -9.752 7.844 1.00 1.17 H new ATOM 0 HB2 SER A 16 -9.724 -11.625 9.271 1.00 1.62 H new ATOM 0 HB3 SER A 16 -8.234 -10.703 9.248 1.00 1.62 H new ATOM 0 HG SER A 16 -9.558 -8.885 10.108 1.00 2.01 H new ATOM 48 N ALA A 17 -8.612 -8.522 6.265 1.00 0.93 N ATOM 49 CA ALA A 17 -7.676 -7.477 5.858 1.00 0.81 C ATOM 50 C ALA A 17 -6.394 -7.593 6.669 1.00 0.69 C ATOM 51 O ALA A 17 -5.933 -6.628 7.279 1.00 0.70 O ATOM 52 CB ALA A 17 -8.288 -6.088 6.006 1.00 1.09 C ATOM 0 H ALA A 17 -9.018 -9.045 5.489 1.00 0.93 H new ATOM 0 HA ALA A 17 -7.444 -7.615 4.802 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -7.563 -5.336 5.694 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -9.179 -6.014 5.382 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -8.560 -5.919 7.048 1.00 1.09 H new ATOM 58 N SER A 18 -5.841 -8.794 6.688 1.00 0.64 N ATOM 59 CA SER A 18 -4.665 -9.083 7.482 1.00 0.61 C ATOM 60 C SER A 18 -3.430 -8.425 6.883 1.00 0.50 C ATOM 61 O SER A 18 -3.446 -8.014 5.722 1.00 0.45 O ATOM 62 CB SER A 18 -4.464 -10.596 7.582 1.00 0.66 C ATOM 63 OG SER A 18 -5.642 -11.239 8.045 1.00 1.32 O ATOM 0 H SER A 18 -6.194 -9.590 6.156 1.00 0.64 H new ATOM 0 HA SER A 18 -4.814 -8.675 8.482 1.00 0.61 H new ATOM 0 HB2 SER A 18 -4.188 -10.995 6.606 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.638 -10.812 8.259 1.00 0.66 H new ATOM 0 HG SER A 18 -5.633 -12.178 7.765 1.00 1.32 H new ATOM 69 N LYS A 19 -2.370 -8.330 7.674 1.00 0.50 N ATOM 70 CA LYS A 19 -1.139 -7.670 7.246 1.00 0.43 C ATOM 71 C LYS A 19 -0.666 -8.231 5.907 1.00 0.34 C ATOM 72 O LYS A 19 -0.341 -7.484 4.979 1.00 0.28 O ATOM 73 CB LYS A 19 -0.053 -7.866 8.306 1.00 0.54 C ATOM 74 CG LYS A 19 -0.544 -7.628 9.724 1.00 0.84 C ATOM 75 CD LYS A 19 0.571 -7.793 10.740 1.00 1.12 C ATOM 76 CE LYS A 19 0.016 -7.934 12.149 1.00 1.73 C ATOM 77 NZ LYS A 19 -0.847 -6.787 12.533 1.00 2.10 N ATOM 0 H LYS A 19 -2.336 -8.704 8.622 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.338 -6.605 7.124 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.339 -8.880 8.231 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.775 -7.188 8.097 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.961 -6.624 9.801 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.350 -8.326 9.952 1.00 0.84 H new ATOM 0 HD2 LYS A 19 1.166 -8.672 10.491 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.239 -6.933 10.694 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.558 -8.858 12.220 1.00 1.73 H new ATOM 0 HE3 LYS A 19 0.842 -8.017 12.856 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 -1.309 -6.989 13.442 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.265 -5.930 12.624 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -1.572 -6.638 11.802 1.00 2.10 H new ATOM 91 N GLU A 20 -0.673 -9.556 5.819 1.00 0.41 N ATOM 92 CA GLU A 20 -0.249 -10.272 4.621 1.00 0.41 C ATOM 93 C GLU A 20 -1.060 -9.852 3.395 1.00 0.34 C ATOM 94 O GLU A 20 -0.508 -9.659 2.312 1.00 0.30 O ATOM 95 CB GLU A 20 -0.389 -11.780 4.857 1.00 0.57 C ATOM 96 CG GLU A 20 -1.804 -12.203 5.239 1.00 0.64 C ATOM 97 CD GLU A 20 -1.899 -13.638 5.712 1.00 0.95 C ATOM 98 OE1 GLU A 20 -0.879 -14.358 5.659 1.00 1.57 O ATOM 99 OE2 GLU A 20 -2.999 -14.050 6.145 1.00 1.49 O ATOM 0 H GLU A 20 -0.974 -10.166 6.579 1.00 0.41 H new ATOM 0 HA GLU A 20 0.793 -10.023 4.423 1.00 0.41 H new ATOM 0 HB2 GLU A 20 -0.090 -12.311 3.953 1.00 0.57 H new ATOM 0 HB3 GLU A 20 0.299 -12.082 5.647 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -2.171 -11.544 6.026 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -2.460 -12.068 4.379 1.00 0.64 H new ATOM 106 N GLU A 21 -2.364 -9.691 3.584 1.00 0.37 N ATOM 107 CA GLU A 21 -3.270 -9.354 2.495 1.00 0.39 C ATOM 108 C GLU A 21 -3.012 -7.940 2.007 1.00 0.32 C ATOM 109 O GLU A 21 -2.959 -7.679 0.805 1.00 0.34 O ATOM 110 CB GLU A 21 -4.716 -9.479 2.968 1.00 0.50 C ATOM 111 CG GLU A 21 -5.068 -10.862 3.485 1.00 0.61 C ATOM 112 CD GLU A 21 -6.516 -10.980 3.916 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.822 -10.623 5.069 1.00 1.54 O ATOM 114 OE2 GLU A 21 -7.346 -11.469 3.120 1.00 1.49 O ATOM 0 H GLU A 21 -2.820 -9.790 4.491 1.00 0.37 H new ATOM 0 HA GLU A 21 -3.096 -10.046 1.671 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.896 -8.749 3.757 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.383 -9.228 2.143 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.865 -11.598 2.707 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.422 -11.104 4.329 1.00 0.61 H new ATOM 121 N ILE A 22 -2.842 -7.036 2.958 1.00 0.30 N ATOM 122 CA ILE A 22 -2.598 -5.638 2.656 1.00 0.28 C ATOM 123 C ILE A 22 -1.270 -5.473 1.927 1.00 0.24 C ATOM 124 O ILE A 22 -1.206 -4.836 0.877 1.00 0.26 O ATOM 125 CB ILE A 22 -2.590 -4.798 3.947 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.895 -5.028 4.721 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.405 -3.319 3.621 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.842 -4.559 6.154 1.00 0.44 C ATOM 0 H ILE A 22 -2.869 -7.250 3.955 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.403 -5.286 2.011 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.753 -5.111 4.571 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.707 -4.511 4.209 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.134 -6.091 4.705 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.402 -2.740 4.545 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.458 -3.177 3.100 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.223 -2.982 2.984 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.800 -4.755 6.636 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -3.053 -5.094 6.683 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.635 -3.489 6.179 1.00 0.44 H new ATOM 135 N ALA A 23 -0.220 -6.077 2.477 1.00 0.20 N ATOM 136 CA ALA A 23 1.110 -6.013 1.880 1.00 0.19 C ATOM 137 C ALA A 23 1.105 -6.584 0.469 1.00 0.20 C ATOM 138 O ALA A 23 1.787 -6.072 -0.421 1.00 0.20 O ATOM 139 CB ALA A 23 2.113 -6.755 2.744 1.00 0.20 C ATOM 0 H ALA A 23 -0.266 -6.619 3.340 1.00 0.20 H new ATOM 0 HA ALA A 23 1.403 -4.965 1.821 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.100 -6.698 2.286 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.146 -6.301 3.734 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.814 -7.799 2.833 1.00 0.20 H new ATOM 145 N ALA A 24 0.330 -7.647 0.273 1.00 0.22 N ATOM 146 CA ALA A 24 0.188 -8.268 -1.035 1.00 0.25 C ATOM 147 C ALA A 24 -0.352 -7.269 -2.051 1.00 0.24 C ATOM 148 O ALA A 24 0.178 -7.137 -3.151 1.00 0.25 O ATOM 149 CB ALA A 24 -0.729 -9.477 -0.942 1.00 0.31 C ATOM 0 H ALA A 24 -0.212 -8.097 1.011 1.00 0.22 H new ATOM 0 HA ALA A 24 1.172 -8.596 -1.371 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.829 -9.935 -1.926 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.306 -10.202 -0.246 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.710 -9.163 -0.587 1.00 0.31 H new ATOM 155 N LEU A 25 -1.397 -6.553 -1.664 1.00 0.23 N ATOM 156 CA LEU A 25 -2.001 -5.551 -2.531 1.00 0.23 C ATOM 157 C LEU A 25 -1.057 -4.371 -2.737 1.00 0.22 C ATOM 158 O LEU A 25 -1.023 -3.772 -3.814 1.00 0.25 O ATOM 159 CB LEU A 25 -3.323 -5.073 -1.934 1.00 0.26 C ATOM 160 CG LEU A 25 -4.429 -6.123 -1.886 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.616 -5.594 -1.104 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.856 -6.515 -3.293 1.00 0.44 C ATOM 0 H LEU A 25 -1.846 -6.647 -0.753 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.193 -6.006 -3.503 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.138 -4.716 -0.921 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.678 -4.220 -2.513 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.044 -7.011 -1.384 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.400 -6.351 -1.076 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.305 -5.356 -0.087 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.998 -4.694 -1.587 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.645 -7.265 -3.238 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.227 -5.635 -3.819 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -4.002 -6.926 -3.831 1.00 0.44 H new ATOM 174 N ILE A 26 -0.288 -4.051 -1.706 1.00 0.21 N ATOM 175 CA ILE A 26 0.678 -2.963 -1.772 1.00 0.22 C ATOM 176 C ILE A 26 1.764 -3.254 -2.808 1.00 0.20 C ATOM 177 O ILE A 26 2.016 -2.438 -3.699 1.00 0.23 O ATOM 178 CB ILE A 26 1.321 -2.702 -0.391 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.265 -2.179 0.591 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.477 -1.720 -0.514 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.783 -1.968 1.997 1.00 0.27 C ATOM 0 H ILE A 26 -0.315 -4.533 -0.808 1.00 0.21 H new ATOM 0 HA ILE A 26 0.138 -2.067 -2.077 1.00 0.22 H new ATOM 0 HB ILE A 26 1.717 -3.642 -0.007 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.130 -1.235 0.215 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.567 -2.883 0.623 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.916 -1.550 0.469 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.233 -2.130 -1.183 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.111 -0.775 -0.916 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.023 -1.598 2.630 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.151 -2.914 2.395 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.595 -1.241 1.980 1.00 0.27 H new ATOM 188 N VAL A 27 2.388 -4.423 -2.708 1.00 0.18 N ATOM 189 CA VAL A 27 3.433 -4.799 -3.655 1.00 0.20 C ATOM 190 C VAL A 27 2.836 -5.051 -5.036 1.00 0.22 C ATOM 191 O VAL A 27 3.506 -4.880 -6.056 1.00 0.24 O ATOM 192 CB VAL A 27 4.234 -6.039 -3.190 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.893 -5.778 -1.844 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.354 -7.278 -3.119 1.00 0.21 C ATOM 0 H VAL A 27 2.192 -5.120 -1.990 1.00 0.18 H new ATOM 0 HA VAL A 27 4.129 -3.962 -3.707 1.00 0.20 H new ATOM 0 HB VAL A 27 5.012 -6.225 -3.931 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.451 -6.662 -1.535 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.573 -4.931 -1.930 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.127 -5.554 -1.101 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.950 -8.129 -2.789 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.542 -7.108 -2.412 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.939 -7.486 -4.105 1.00 0.21 H new ATOM 198 N ASN A 28 1.566 -5.445 -5.055 1.00 0.26 N ATOM 199 CA ASN A 28 0.829 -5.635 -6.298 1.00 0.32 C ATOM 200 C ASN A 28 0.711 -4.315 -7.052 1.00 0.27 C ATOM 201 O ASN A 28 0.971 -4.251 -8.254 1.00 0.29 O ATOM 202 CB ASN A 28 -0.568 -6.190 -6.003 1.00 0.45 C ATOM 203 CG ASN A 28 -1.426 -6.353 -7.246 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.632 -6.118 -7.206 1.00 1.59 O ATOM 205 ND2 ASN A 28 -0.825 -6.787 -8.344 1.00 0.86 N ATOM 0 H ASN A 28 1.022 -5.640 -4.214 1.00 0.26 H new ATOM 0 HA ASN A 28 1.373 -6.348 -6.918 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.470 -7.156 -5.509 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.075 -5.525 -5.305 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.366 -6.937 -9.196 1.00 0.86 H new ATOM 0 HD22 ASN A 28 0.178 -6.971 -8.338 1.00 0.86 H new ATOM 212 N TYR A 29 0.331 -3.262 -6.332 1.00 0.25 N ATOM 213 CA TYR A 29 0.186 -1.937 -6.924 1.00 0.24 C ATOM 214 C TYR A 29 1.499 -1.472 -7.544 1.00 0.19 C ATOM 215 O TYR A 29 1.537 -1.075 -8.708 1.00 0.19 O ATOM 216 CB TYR A 29 -0.286 -0.923 -5.877 1.00 0.29 C ATOM 217 CG TYR A 29 -0.341 0.500 -6.392 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.132 0.832 -7.484 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.400 1.509 -5.790 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.184 2.126 -7.961 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.351 2.808 -6.262 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.441 3.109 -7.348 1.00 0.43 C ATOM 223 OH TYR A 29 -0.494 4.398 -7.825 1.00 0.50 O ATOM 0 H TYR A 29 0.118 -3.302 -5.335 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.566 -2.004 -7.710 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.276 -1.211 -5.525 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.382 -0.964 -5.017 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.717 0.064 -7.969 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.024 1.275 -4.940 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.805 2.366 -8.811 1.00 1.22 H new ATOM 0 HE2 TYR A 29 0.931 3.582 -5.782 1.00 1.25 H new ATOM 0 HH TYR A 29 -1.263 4.493 -8.426 1.00 0.50 H new ATOM 233 N PHE A 30 2.572 -1.539 -6.766 1.00 0.16 N ATOM 234 CA PHE A 30 3.882 -1.119 -7.247 1.00 0.16 C ATOM 235 C PHE A 30 4.304 -1.940 -8.462 1.00 0.18 C ATOM 236 O PHE A 30 4.835 -1.399 -9.434 1.00 0.21 O ATOM 237 CB PHE A 30 4.932 -1.247 -6.143 1.00 0.19 C ATOM 238 CG PHE A 30 4.710 -0.337 -4.967 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.283 0.970 -5.150 1.00 1.19 C ATOM 240 CD2 PHE A 30 4.936 -0.788 -3.678 1.00 1.18 C ATOM 241 CE1 PHE A 30 4.087 1.805 -4.069 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.743 0.045 -2.593 1.00 1.17 C ATOM 243 CZ PHE A 30 4.318 1.343 -2.789 1.00 0.25 C ATOM 0 H PHE A 30 2.562 -1.878 -5.804 1.00 0.16 H new ATOM 0 HA PHE A 30 3.808 -0.072 -7.541 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.948 -2.278 -5.791 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.915 -1.040 -6.567 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.102 1.338 -6.149 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.267 -1.804 -3.519 1.00 1.18 H new ATOM 0 HE1 PHE A 30 3.753 2.820 -4.225 1.00 1.22 H new ATOM 0 HE2 PHE A 30 4.925 -0.319 -1.593 1.00 1.17 H new ATOM 0 HZ PHE A 30 4.166 1.996 -1.942 1.00 0.25 H new ATOM 253 N SER A 31 4.046 -3.242 -8.411 1.00 0.21 N ATOM 254 CA SER A 31 4.368 -4.124 -9.523 1.00 0.27 C ATOM 255 C SER A 31 3.568 -3.747 -10.766 1.00 0.25 C ATOM 256 O SER A 31 4.073 -3.824 -11.882 1.00 0.27 O ATOM 257 CB SER A 31 4.108 -5.583 -9.144 1.00 0.35 C ATOM 258 OG SER A 31 4.967 -5.990 -8.089 1.00 1.15 O ATOM 0 H SER A 31 3.616 -3.708 -7.612 1.00 0.21 H new ATOM 0 HA SER A 31 5.428 -4.008 -9.751 1.00 0.27 H new ATOM 0 HB2 SER A 31 3.068 -5.705 -8.840 1.00 0.35 H new ATOM 0 HB3 SER A 31 4.263 -6.223 -10.013 1.00 0.35 H new ATOM 0 HG SER A 31 4.606 -5.675 -7.234 1.00 1.15 H new ATOM 264 N SER A 32 2.331 -3.312 -10.565 1.00 0.27 N ATOM 265 CA SER A 32 1.477 -2.910 -11.671 1.00 0.30 C ATOM 266 C SER A 32 2.051 -1.686 -12.385 1.00 0.28 C ATOM 267 O SER A 32 2.003 -1.593 -13.610 1.00 0.35 O ATOM 268 CB SER A 32 0.063 -2.613 -11.168 1.00 0.40 C ATOM 269 OG SER A 32 -0.497 -3.746 -10.520 1.00 0.99 O ATOM 0 H SER A 32 1.898 -3.229 -9.645 1.00 0.27 H new ATOM 0 HA SER A 32 1.433 -3.733 -12.384 1.00 0.30 H new ATOM 0 HB2 SER A 32 0.089 -1.771 -10.477 1.00 0.40 H new ATOM 0 HB3 SER A 32 -0.570 -2.319 -12.005 1.00 0.40 H new ATOM 0 HG SER A 32 -0.036 -3.896 -9.668 1.00 0.99 H new ATOM 275 N ILE A 33 2.618 -0.763 -11.614 1.00 0.24 N ATOM 276 CA ILE A 33 3.171 0.466 -12.175 1.00 0.26 C ATOM 277 C ILE A 33 4.408 0.172 -13.022 1.00 0.26 C ATOM 278 O ILE A 33 4.564 0.706 -14.125 1.00 0.31 O ATOM 279 CB ILE A 33 3.563 1.477 -11.077 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.437 1.653 -10.059 1.00 0.30 C ATOM 281 CG2 ILE A 33 3.905 2.818 -11.707 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.813 2.553 -8.900 1.00 0.34 C ATOM 0 H ILE A 33 2.707 -0.842 -10.601 1.00 0.24 H new ATOM 0 HA ILE A 33 2.387 0.900 -12.795 1.00 0.26 H new ATOM 0 HB ILE A 33 4.436 1.087 -10.553 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.563 2.066 -10.562 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.150 0.675 -9.672 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.181 3.527 -10.926 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.740 2.694 -12.396 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.039 3.196 -12.251 1.00 0.43 H new ATOM 0 HD11 ILE A 33 1.969 2.635 -8.215 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.668 2.130 -8.373 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.072 3.542 -9.277 1.00 0.34 H new ATOM 289 N VAL A 34 5.280 -0.687 -12.509 1.00 0.24 N ATOM 290 CA VAL A 34 6.535 -0.994 -13.187 1.00 0.31 C ATOM 291 C VAL A 34 6.316 -1.948 -14.359 1.00 0.37 C ATOM 292 O VAL A 34 7.026 -1.880 -15.360 1.00 0.47 O ATOM 293 CB VAL A 34 7.584 -1.591 -12.217 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.860 -0.630 -11.073 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.141 -2.941 -11.677 1.00 0.33 C ATOM 0 H VAL A 34 5.143 -1.183 -11.628 1.00 0.24 H new ATOM 0 HA VAL A 34 6.920 -0.049 -13.569 1.00 0.31 H new ATOM 0 HB VAL A 34 8.505 -1.743 -12.780 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.599 -1.066 -10.402 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.242 0.310 -11.471 1.00 0.35 H new ATOM 0 HG13 VAL A 34 6.937 -0.443 -10.524 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.902 -3.329 -11.000 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.200 -2.827 -11.138 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.003 -3.636 -12.505 1.00 0.33 H new ATOM 299 N GLU A 35 5.316 -2.814 -14.240 1.00 0.35 N ATOM 300 CA GLU A 35 5.030 -3.809 -15.268 1.00 0.46 C ATOM 301 C GLU A 35 4.607 -3.142 -16.575 1.00 0.50 C ATOM 302 O GLU A 35 4.977 -3.593 -17.660 1.00 0.61 O ATOM 303 CB GLU A 35 3.941 -4.764 -14.780 1.00 0.50 C ATOM 304 CG GLU A 35 3.669 -5.925 -15.718 1.00 0.70 C ATOM 305 CD GLU A 35 2.651 -6.889 -15.153 1.00 1.49 C ATOM 306 OE1 GLU A 35 1.441 -6.672 -15.365 1.00 2.19 O ATOM 307 OE2 GLU A 35 3.057 -7.866 -14.488 1.00 2.22 O ATOM 0 H GLU A 35 4.687 -2.847 -13.438 1.00 0.35 H new ATOM 0 HA GLU A 35 5.941 -4.376 -15.461 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.229 -5.158 -13.805 1.00 0.50 H new ATOM 0 HB3 GLU A 35 3.018 -4.202 -14.637 1.00 0.50 H new ATOM 0 HG2 GLU A 35 3.312 -5.542 -16.674 1.00 0.70 H new ATOM 0 HG3 GLU A 35 4.600 -6.457 -15.915 1.00 0.70 H new ATOM 314 N LYS A 36 3.843 -2.061 -16.466 1.00 0.47 N ATOM 315 CA LYS A 36 3.397 -1.324 -17.645 1.00 0.54 C ATOM 316 C LYS A 36 4.389 -0.223 -18.011 1.00 0.50 C ATOM 317 O LYS A 36 4.178 0.528 -18.963 1.00 0.60 O ATOM 318 CB LYS A 36 2.004 -0.725 -17.416 1.00 0.67 C ATOM 319 CG LYS A 36 1.897 0.104 -16.146 1.00 0.71 C ATOM 320 CD LYS A 36 0.539 0.773 -16.023 1.00 0.97 C ATOM 321 CE LYS A 36 0.360 1.414 -14.656 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.845 2.283 -14.598 1.00 2.08 N ATOM 0 H LYS A 36 3.520 -1.676 -15.578 1.00 0.47 H new ATOM 0 HA LYS A 36 3.343 -2.027 -18.476 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.742 -0.101 -18.270 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.273 -1.533 -17.375 1.00 0.67 H new ATOM 0 HG2 LYS A 36 2.068 -0.535 -15.279 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.679 0.864 -16.141 1.00 0.71 H new ATOM 0 HD2 LYS A 36 0.433 1.531 -16.799 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.248 0.037 -16.187 1.00 0.97 H new ATOM 0 HE2 LYS A 36 0.281 0.634 -13.898 1.00 1.42 H new ATOM 0 HE3 LYS A 36 1.244 2.004 -14.415 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -0.928 2.699 -13.648 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -0.759 3.043 -15.303 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -1.692 1.716 -14.802 1.00 2.08 H new ATOM 336 N LYS A 37 5.477 -0.151 -17.238 1.00 0.47 N ATOM 337 CA LYS A 37 6.537 0.839 -17.437 1.00 0.54 C ATOM 338 C LYS A 37 5.964 2.257 -17.428 1.00 0.59 C ATOM 339 O LYS A 37 6.252 3.070 -18.305 1.00 0.75 O ATOM 340 CB LYS A 37 7.292 0.562 -18.745 1.00 0.71 C ATOM 341 CG LYS A 37 8.608 1.317 -18.866 1.00 1.18 C ATOM 342 CD LYS A 37 9.320 1.000 -20.170 1.00 1.41 C ATOM 343 CE LYS A 37 10.651 1.729 -20.274 1.00 1.98 C ATOM 344 NZ LYS A 37 10.485 3.207 -20.265 1.00 2.60 N ATOM 0 H LYS A 37 5.647 -0.781 -16.454 1.00 0.47 H new ATOM 0 HA LYS A 37 7.243 0.757 -16.611 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.489 -0.507 -18.820 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.652 0.828 -19.586 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.419 2.389 -18.806 1.00 1.18 H new ATOM 0 HG3 LYS A 37 9.254 1.059 -18.027 1.00 1.18 H new ATOM 0 HD2 LYS A 37 9.487 -0.075 -20.242 1.00 1.41 H new ATOM 0 HD3 LYS A 37 8.684 1.281 -21.010 1.00 1.41 H new ATOM 0 HE2 LYS A 37 11.292 1.432 -19.444 1.00 1.98 H new ATOM 0 HE3 LYS A 37 11.158 1.428 -21.191 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 11.385 3.659 -20.523 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 9.752 3.478 -20.951 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 10.201 3.519 -19.314 1.00 2.60 H new ATOM 358 N GLU A 38 5.150 2.548 -16.426 1.00 0.54 N ATOM 359 CA GLU A 38 4.508 3.848 -16.324 1.00 0.68 C ATOM 360 C GLU A 38 5.354 4.774 -15.464 1.00 0.69 C ATOM 361 O GLU A 38 5.356 5.994 -15.642 1.00 1.03 O ATOM 362 CB GLU A 38 3.110 3.695 -15.726 1.00 0.79 C ATOM 363 CG GLU A 38 2.323 4.992 -15.641 1.00 1.36 C ATOM 364 CD GLU A 38 0.976 4.797 -14.988 1.00 1.41 C ATOM 365 OE1 GLU A 38 0.920 4.724 -13.747 1.00 1.86 O ATOM 366 OE2 GLU A 38 -0.036 4.691 -15.711 1.00 2.12 O ATOM 0 H GLU A 38 4.918 1.901 -15.672 1.00 0.54 H new ATOM 0 HA GLU A 38 4.415 4.281 -17.320 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.547 2.980 -16.326 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.199 3.271 -14.726 1.00 0.79 H new ATOM 0 HG2 GLU A 38 2.896 5.727 -15.076 1.00 1.36 H new ATOM 0 HG3 GLU A 38 2.184 5.398 -16.643 1.00 1.36 H new ATOM 373 N ILE A 39 6.084 4.175 -14.541 1.00 0.42 N ATOM 374 CA ILE A 39 6.947 4.922 -13.639 1.00 0.43 C ATOM 375 C ILE A 39 8.362 4.984 -14.210 1.00 0.48 C ATOM 376 O ILE A 39 8.771 4.096 -14.960 1.00 0.51 O ATOM 377 CB ILE A 39 6.957 4.280 -12.230 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.663 5.186 -11.220 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.610 2.904 -12.267 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.537 4.705 -9.791 1.00 0.47 C ATOM 0 H ILE A 39 6.097 3.166 -14.394 1.00 0.42 H new ATOM 0 HA ILE A 39 6.559 5.936 -13.543 1.00 0.43 H new ATOM 0 HB ILE A 39 5.922 4.158 -11.909 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.719 5.255 -11.481 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.250 6.192 -11.295 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.606 2.472 -11.266 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.054 2.256 -12.944 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.638 2.998 -12.617 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.060 5.394 -9.128 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.484 4.663 -9.513 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.976 3.711 -9.702 1.00 0.47 H new ATOM 387 N SER A 40 9.088 6.043 -13.877 1.00 0.54 N ATOM 388 CA SER A 40 10.440 6.240 -14.379 1.00 0.62 C ATOM 389 C SER A 40 11.383 5.147 -13.875 1.00 0.53 C ATOM 390 O SER A 40 11.146 4.571 -12.810 1.00 0.48 O ATOM 391 CB SER A 40 10.947 7.615 -13.955 1.00 0.76 C ATOM 392 OG SER A 40 10.032 8.629 -14.339 1.00 1.82 O ATOM 0 H SER A 40 8.760 6.783 -13.257 1.00 0.54 H new ATOM 0 HA SER A 40 10.417 6.182 -15.467 1.00 0.62 H new ATOM 0 HB2 SER A 40 11.090 7.638 -12.875 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.919 7.805 -14.409 1.00 0.76 H new ATOM 0 HG SER A 40 10.374 9.503 -14.057 1.00 1.82 H new ATOM 398 N GLU A 41 12.438 4.865 -14.636 1.00 0.59 N ATOM 399 CA GLU A 41 13.332 3.742 -14.344 1.00 0.60 C ATOM 400 C GLU A 41 13.826 3.762 -12.899 1.00 0.49 C ATOM 401 O GLU A 41 13.773 2.742 -12.205 1.00 0.46 O ATOM 402 CB GLU A 41 14.523 3.741 -15.305 1.00 0.78 C ATOM 403 CG GLU A 41 14.122 3.579 -16.763 1.00 1.07 C ATOM 404 CD GLU A 41 15.314 3.474 -17.688 1.00 1.43 C ATOM 405 OE1 GLU A 41 15.842 4.525 -18.107 1.00 1.99 O ATOM 406 OE2 GLU A 41 15.725 2.339 -18.013 1.00 2.19 O ATOM 0 H GLU A 41 12.697 5.401 -15.464 1.00 0.59 H new ATOM 0 HA GLU A 41 12.755 2.828 -14.483 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.075 4.674 -15.189 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.201 2.933 -15.030 1.00 0.78 H new ATOM 0 HG2 GLU A 41 13.505 2.686 -16.869 1.00 1.07 H new ATOM 0 HG3 GLU A 41 13.508 4.428 -17.063 1.00 1.07 H new ATOM 413 N ASP A 42 14.280 4.928 -12.441 1.00 0.52 N ATOM 414 CA ASP A 42 14.778 5.070 -11.073 1.00 0.52 C ATOM 415 C ASP A 42 13.712 4.677 -10.059 1.00 0.43 C ATOM 416 O ASP A 42 13.986 3.943 -9.113 1.00 0.47 O ATOM 417 CB ASP A 42 15.236 6.502 -10.803 1.00 0.62 C ATOM 418 CG ASP A 42 15.740 6.685 -9.384 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.809 6.133 -9.053 1.00 2.30 O ATOM 420 OD2 ASP A 42 15.065 7.374 -8.590 1.00 2.21 O ATOM 0 H ASP A 42 14.313 5.784 -12.994 1.00 0.52 H new ATOM 0 HA ASP A 42 15.631 4.400 -10.966 1.00 0.52 H new ATOM 0 HB2 ASP A 42 16.027 6.767 -11.505 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.407 7.187 -10.983 1.00 0.62 H new ATOM 425 N GLY A 43 12.495 5.162 -10.274 1.00 0.39 N ATOM 426 CA GLY A 43 11.392 4.828 -9.396 1.00 0.37 C ATOM 427 C GLY A 43 11.066 3.350 -9.431 1.00 0.34 C ATOM 428 O GLY A 43 10.759 2.750 -8.402 1.00 0.35 O ATOM 0 H GLY A 43 12.253 5.784 -11.045 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.640 5.120 -8.376 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.511 5.400 -9.687 1.00 0.37 H new ATOM 432 N ALA A 44 11.149 2.761 -10.617 1.00 0.33 N ATOM 433 CA ALA A 44 10.893 1.337 -10.790 1.00 0.33 C ATOM 434 C ALA A 44 11.904 0.509 -10.006 1.00 0.32 C ATOM 435 O ALA A 44 11.539 -0.422 -9.286 1.00 0.31 O ATOM 436 CB ALA A 44 10.935 0.969 -12.265 1.00 0.38 C ATOM 0 H ALA A 44 11.393 3.251 -11.478 1.00 0.33 H new ATOM 0 HA ALA A 44 9.898 1.117 -10.403 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.742 -0.098 -12.380 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.175 1.535 -12.803 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.918 1.205 -12.671 1.00 0.38 H new ATOM 442 N ASP A 45 13.173 0.864 -10.144 1.00 0.36 N ATOM 443 CA ASP A 45 14.248 0.189 -9.424 1.00 0.38 C ATOM 444 C ASP A 45 14.139 0.450 -7.926 1.00 0.36 C ATOM 445 O ASP A 45 14.413 -0.427 -7.104 1.00 0.37 O ATOM 446 CB ASP A 45 15.607 0.662 -9.941 1.00 0.48 C ATOM 447 CG ASP A 45 16.762 0.047 -9.180 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.040 -1.155 -9.379 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.396 0.760 -8.372 1.00 1.81 O ATOM 0 H ASP A 45 13.487 1.621 -10.752 1.00 0.36 H new ATOM 0 HA ASP A 45 14.156 -0.883 -9.596 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.698 0.411 -10.998 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.663 1.748 -9.865 1.00 0.48 H new ATOM 454 N SER A 46 13.724 1.660 -7.582 1.00 0.38 N ATOM 455 CA SER A 46 13.544 2.053 -6.194 1.00 0.41 C ATOM 456 C SER A 46 12.460 1.195 -5.542 1.00 0.36 C ATOM 457 O SER A 46 12.589 0.767 -4.395 1.00 0.39 O ATOM 458 CB SER A 46 13.171 3.538 -6.126 1.00 0.51 C ATOM 459 OG SER A 46 13.411 4.081 -4.842 1.00 0.98 O ATOM 0 H SER A 46 13.503 2.394 -8.255 1.00 0.38 H new ATOM 0 HA SER A 46 14.476 1.899 -5.650 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.746 4.092 -6.868 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.119 3.661 -6.382 1.00 0.51 H new ATOM 0 HG SER A 46 13.163 5.029 -4.836 1.00 0.98 H new ATOM 465 N LEU A 47 11.401 0.921 -6.296 1.00 0.32 N ATOM 466 CA LEU A 47 10.311 0.084 -5.812 1.00 0.30 C ATOM 467 C LEU A 47 10.768 -1.355 -5.604 1.00 0.27 C ATOM 468 O LEU A 47 10.201 -2.075 -4.788 1.00 0.29 O ATOM 469 CB LEU A 47 9.132 0.119 -6.787 1.00 0.30 C ATOM 470 CG LEU A 47 8.358 1.439 -6.823 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.278 1.397 -7.893 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.749 1.727 -5.460 1.00 0.41 C ATOM 0 H LEU A 47 11.275 1.268 -7.247 1.00 0.32 H new ATOM 0 HA LEU A 47 9.991 0.485 -4.850 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.503 -0.094 -7.789 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.441 -0.682 -6.526 1.00 0.30 H new ATOM 0 HG LEU A 47 9.052 2.242 -7.071 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.739 2.344 -7.903 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.737 1.231 -8.867 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.583 0.586 -7.676 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.201 2.668 -5.498 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.067 0.921 -5.188 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.542 1.798 -4.715 1.00 0.41 H new ATOM 484 N ASN A 48 11.795 -1.767 -6.334 1.00 0.26 N ATOM 485 CA ASN A 48 12.311 -3.128 -6.224 1.00 0.26 C ATOM 486 C ASN A 48 12.953 -3.367 -4.862 1.00 0.28 C ATOM 487 O ASN A 48 12.593 -4.315 -4.162 1.00 0.32 O ATOM 488 CB ASN A 48 13.315 -3.427 -7.342 1.00 0.28 C ATOM 489 CG ASN A 48 12.652 -3.642 -8.691 1.00 0.33 C ATOM 490 OD1 ASN A 48 11.485 -4.271 -8.694 1.00 0.48 O flip ATOM 491 ND2 ASN A 48 13.198 -3.270 -9.729 1.00 0.40 N flip ATOM 0 H ASN A 48 12.288 -1.181 -7.008 1.00 0.26 H new ATOM 0 HA ASN A 48 11.465 -3.807 -6.327 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.022 -2.601 -7.418 1.00 0.28 H new ATOM 0 HB3 ASN A 48 13.889 -4.316 -7.079 1.00 0.28 H new ATOM 0 HD21 ASN A 48 14.096 -2.789 -9.688 1.00 0.40 H new ATOM 0 HD22 ASN A 48 12.752 -3.443 -10.630 1.00 0.40 H new ATOM 498 N VAL A 49 13.888 -2.501 -4.471 1.00 0.27 N ATOM 499 CA VAL A 49 14.540 -2.641 -3.171 1.00 0.29 C ATOM 500 C VAL A 49 13.518 -2.449 -2.052 1.00 0.30 C ATOM 501 O VAL A 49 13.583 -3.111 -1.014 1.00 0.32 O ATOM 502 CB VAL A 49 15.727 -1.657 -2.983 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.269 -0.209 -3.021 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.467 -1.945 -1.683 1.00 0.36 C ATOM 0 H VAL A 49 14.207 -1.707 -5.027 1.00 0.27 H new ATOM 0 HA VAL A 49 14.954 -3.649 -3.128 1.00 0.29 H new ATOM 0 HB VAL A 49 16.411 -1.811 -3.817 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.128 0.448 -2.886 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.801 -0.001 -3.983 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.549 -0.034 -2.221 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.294 -1.244 -1.572 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.782 -1.834 -0.842 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.855 -2.963 -1.703 1.00 0.36 H new ATOM 508 N ALA A 50 12.558 -1.563 -2.287 1.00 0.30 N ATOM 509 CA ALA A 50 11.483 -1.337 -1.338 1.00 0.34 C ATOM 510 C ALA A 50 10.641 -2.593 -1.179 1.00 0.34 C ATOM 511 O ALA A 50 10.279 -2.973 -0.070 1.00 0.37 O ATOM 512 CB ALA A 50 10.614 -0.175 -1.792 1.00 0.37 C ATOM 0 H ALA A 50 12.505 -0.990 -3.129 1.00 0.30 H new ATOM 0 HA ALA A 50 11.922 -1.089 -0.371 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.812 -0.017 -1.071 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.221 0.727 -1.863 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.185 -0.401 -2.768 1.00 0.37 H new ATOM 518 N MET A 51 10.361 -3.250 -2.296 1.00 0.34 N ATOM 519 CA MET A 51 9.493 -4.417 -2.312 1.00 0.39 C ATOM 520 C MET A 51 10.131 -5.593 -1.594 1.00 0.31 C ATOM 521 O MET A 51 9.443 -6.365 -0.924 1.00 0.30 O ATOM 522 CB MET A 51 9.159 -4.798 -3.749 1.00 0.52 C ATOM 523 CG MET A 51 8.008 -5.777 -3.869 1.00 0.62 C ATOM 524 SD MET A 51 7.207 -5.685 -5.478 1.00 0.65 S ATOM 525 CE MET A 51 6.933 -3.917 -5.587 1.00 0.41 C ATOM 0 H MET A 51 10.727 -2.990 -3.212 1.00 0.34 H new ATOM 0 HA MET A 51 8.575 -4.161 -1.783 1.00 0.39 H new ATOM 0 HB2 MET A 51 8.915 -3.894 -4.308 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.043 -5.232 -4.215 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.375 -6.790 -3.705 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.276 -5.573 -3.088 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.153 -3.714 -6.321 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.623 -3.536 -4.614 1.00 0.41 H new ATOM 0 HE3 MET A 51 7.856 -3.424 -5.892 1.00 0.41 H new ATOM 535 N ASP A 52 11.443 -5.731 -1.732 1.00 0.31 N ATOM 536 CA ASP A 52 12.170 -6.775 -1.021 1.00 0.32 C ATOM 537 C ASP A 52 12.088 -6.531 0.479 1.00 0.28 C ATOM 538 O ASP A 52 12.024 -7.467 1.274 1.00 0.30 O ATOM 539 CB ASP A 52 13.631 -6.828 -1.465 1.00 0.42 C ATOM 540 CG ASP A 52 14.396 -7.942 -0.776 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.146 -9.125 -1.090 1.00 1.99 O ATOM 542 OD2 ASP A 52 15.254 -7.643 0.080 1.00 1.84 O ATOM 0 H ASP A 52 12.023 -5.138 -2.326 1.00 0.31 H new ATOM 0 HA ASP A 52 11.710 -7.735 -1.257 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.677 -6.971 -2.545 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.110 -5.873 -1.250 1.00 0.42 H new ATOM 547 N CYS A 53 12.066 -5.260 0.851 1.00 0.27 N ATOM 548 CA CYS A 53 11.913 -4.872 2.240 1.00 0.27 C ATOM 549 C CYS A 53 10.484 -5.133 2.714 1.00 0.29 C ATOM 550 O CYS A 53 10.275 -5.705 3.783 1.00 0.36 O ATOM 551 CB CYS A 53 12.277 -3.398 2.410 1.00 0.36 C ATOM 552 SG CYS A 53 13.968 -3.003 1.902 1.00 1.05 S ATOM 0 H CYS A 53 12.153 -4.477 0.203 1.00 0.27 H new ATOM 0 HA CYS A 53 12.587 -5.472 2.851 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.582 -2.792 1.829 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.147 -3.119 3.456 1.00 0.36 H new ATOM 0 HG CYS A 53 14.095 -3.201 0.623 1.00 1.05 H new ATOM 558 N ILE A 54 9.505 -4.729 1.902 1.00 0.26 N ATOM 559 CA ILE A 54 8.093 -4.957 2.214 1.00 0.29 C ATOM 560 C ILE A 54 7.830 -6.443 2.448 1.00 0.30 C ATOM 561 O ILE A 54 7.302 -6.839 3.485 1.00 0.33 O ATOM 562 CB ILE A 54 7.156 -4.475 1.077 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.390 -2.995 0.753 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.697 -4.701 1.463 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.621 -2.507 -0.463 1.00 0.34 C ATOM 0 H ILE A 54 9.665 -4.241 1.021 1.00 0.26 H new ATOM 0 HA ILE A 54 7.880 -4.382 3.115 1.00 0.29 H new ATOM 0 HB ILE A 54 7.385 -5.058 0.185 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.106 -2.394 1.617 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.455 -2.832 0.588 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.050 -4.358 0.656 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.527 -5.763 1.638 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.470 -4.143 2.372 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.836 -1.452 -0.630 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.922 -3.082 -1.339 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.552 -2.637 -0.294 1.00 0.34 H new ATOM 572 N SER A 55 8.227 -7.256 1.478 1.00 0.30 N ATOM 573 CA SER A 55 7.982 -8.689 1.528 1.00 0.36 C ATOM 574 C SER A 55 8.639 -9.329 2.752 1.00 0.38 C ATOM 575 O SER A 55 8.003 -10.097 3.476 1.00 0.41 O ATOM 576 CB SER A 55 8.485 -9.344 0.238 1.00 0.40 C ATOM 577 OG SER A 55 9.802 -8.917 -0.071 1.00 0.80 O ATOM 0 H SER A 55 8.723 -6.944 0.643 1.00 0.30 H new ATOM 0 HA SER A 55 6.908 -8.850 1.617 1.00 0.36 H new ATOM 0 HB2 SER A 55 8.467 -10.428 0.346 1.00 0.40 H new ATOM 0 HB3 SER A 55 7.816 -9.094 -0.585 1.00 0.40 H new ATOM 0 HG SER A 55 9.766 -8.050 -0.527 1.00 0.80 H new ATOM 583 N GLU A 56 9.899 -8.987 2.995 1.00 0.39 N ATOM 584 CA GLU A 56 10.652 -9.567 4.101 1.00 0.48 C ATOM 585 C GLU A 56 10.087 -9.114 5.448 1.00 0.43 C ATOM 586 O GLU A 56 10.100 -9.864 6.422 1.00 0.46 O ATOM 587 CB GLU A 56 12.129 -9.185 3.992 1.00 0.60 C ATOM 588 CG GLU A 56 13.031 -9.953 4.943 1.00 0.83 C ATOM 589 CD GLU A 56 12.989 -11.448 4.700 1.00 1.81 C ATOM 590 OE1 GLU A 56 13.742 -11.936 3.830 1.00 2.66 O ATOM 591 OE2 GLU A 56 12.200 -12.144 5.373 1.00 2.38 O ATOM 0 H GLU A 56 10.422 -8.310 2.440 1.00 0.39 H new ATOM 0 HA GLU A 56 10.560 -10.652 4.042 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.465 -9.356 2.969 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.234 -8.118 4.188 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.056 -9.599 4.833 1.00 0.83 H new ATOM 0 HG3 GLU A 56 12.731 -9.746 5.970 1.00 0.83 H new ATOM 598 N ALA A 57 9.579 -7.887 5.493 1.00 0.39 N ATOM 599 CA ALA A 57 9.022 -7.329 6.720 1.00 0.39 C ATOM 600 C ALA A 57 7.791 -8.106 7.181 1.00 0.33 C ATOM 601 O ALA A 57 7.562 -8.271 8.379 1.00 0.39 O ATOM 602 CB ALA A 57 8.678 -5.860 6.523 1.00 0.42 C ATOM 0 H ALA A 57 9.542 -7.258 4.691 1.00 0.39 H new ATOM 0 HA ALA A 57 9.779 -7.415 7.499 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.263 -5.456 7.447 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.580 -5.308 6.258 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.944 -5.762 5.723 1.00 0.42 H new ATOM 608 N PHE A 58 7.004 -8.585 6.227 1.00 0.29 N ATOM 609 CA PHE A 58 5.794 -9.336 6.543 1.00 0.28 C ATOM 610 C PHE A 58 6.065 -10.839 6.540 1.00 0.30 C ATOM 611 O PHE A 58 5.313 -11.621 7.129 1.00 0.38 O ATOM 612 CB PHE A 58 4.675 -8.991 5.560 1.00 0.26 C ATOM 613 CG PHE A 58 4.158 -7.583 5.699 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.888 -6.510 5.216 1.00 1.18 C ATOM 615 CD2 PHE A 58 2.939 -7.337 6.310 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.415 -5.219 5.341 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.461 -6.046 6.437 1.00 1.22 C ATOM 618 CZ PHE A 58 3.200 -4.987 5.951 1.00 0.28 C ATOM 0 H PHE A 58 7.180 -8.468 5.229 1.00 0.29 H new ATOM 0 HA PHE A 58 5.474 -9.052 7.546 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.040 -9.136 4.543 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.849 -9.688 5.705 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.839 -6.685 4.736 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.356 -8.162 6.691 1.00 1.24 H new ATOM 0 HE1 PHE A 58 4.996 -4.391 4.961 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.510 -5.867 6.916 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.828 -3.978 6.048 1.00 0.28 H new ATOM 628 N GLY A 59 7.136 -11.241 5.868 1.00 0.34 N ATOM 629 CA GLY A 59 7.565 -12.624 5.914 1.00 0.39 C ATOM 630 C GLY A 59 7.170 -13.422 4.687 1.00 0.38 C ATOM 631 O GLY A 59 6.702 -14.554 4.809 1.00 0.43 O ATOM 0 H GLY A 59 7.716 -10.632 5.291 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.649 -12.656 6.025 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.140 -13.099 6.798 1.00 0.39 H new ATOM 635 N PHE A 60 7.347 -12.843 3.510 1.00 0.35 N ATOM 636 CA PHE A 60 7.088 -13.554 2.263 1.00 0.39 C ATOM 637 C PHE A 60 8.001 -13.027 1.163 1.00 0.40 C ATOM 638 O PHE A 60 8.820 -12.145 1.408 1.00 0.42 O ATOM 639 CB PHE A 60 5.609 -13.432 1.852 1.00 0.40 C ATOM 640 CG PHE A 60 5.122 -12.027 1.607 1.00 0.31 C ATOM 641 CD1 PHE A 60 5.272 -11.431 0.364 1.00 1.22 C ATOM 642 CD2 PHE A 60 4.494 -11.310 2.612 1.00 1.19 C ATOM 643 CE1 PHE A 60 4.809 -10.151 0.129 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.031 -10.027 2.384 1.00 1.22 C ATOM 645 CZ PHE A 60 4.188 -9.447 1.140 1.00 0.33 C ATOM 0 H PHE A 60 7.669 -11.883 3.389 1.00 0.35 H new ATOM 0 HA PHE A 60 7.301 -14.612 2.418 1.00 0.39 H new ATOM 0 HB2 PHE A 60 5.452 -14.017 0.946 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.994 -13.881 2.632 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.758 -11.976 -0.432 1.00 1.22 H new ATOM 0 HD2 PHE A 60 4.364 -11.759 3.586 1.00 1.19 H new ATOM 0 HE1 PHE A 60 4.933 -9.702 -0.845 1.00 1.20 H new ATOM 0 HE2 PHE A 60 3.547 -9.478 3.178 1.00 1.22 H new ATOM 0 HZ PHE A 60 3.826 -8.446 0.960 1.00 0.33 H new ATOM 655 N GLU A 61 7.879 -13.585 -0.035 1.00 0.48 N ATOM 656 CA GLU A 61 8.653 -13.112 -1.176 1.00 0.55 C ATOM 657 C GLU A 61 7.725 -12.559 -2.253 1.00 0.50 C ATOM 658 O GLU A 61 6.512 -12.742 -2.171 1.00 0.48 O ATOM 659 CB GLU A 61 9.514 -14.231 -1.755 1.00 0.70 C ATOM 660 CG GLU A 61 10.536 -14.786 -0.778 1.00 0.81 C ATOM 661 CD GLU A 61 11.462 -15.790 -1.425 1.00 1.48 C ATOM 662 OE1 GLU A 61 11.082 -16.974 -1.541 1.00 2.05 O ATOM 663 OE2 GLU A 61 12.575 -15.403 -1.828 1.00 2.33 O ATOM 0 H GLU A 61 7.253 -14.364 -0.242 1.00 0.48 H new ATOM 0 HA GLU A 61 9.312 -12.316 -0.829 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.865 -15.041 -2.087 1.00 0.70 H new ATOM 0 HB3 GLU A 61 10.034 -13.857 -2.637 1.00 0.70 H new ATOM 0 HG2 GLU A 61 11.124 -13.966 -0.366 1.00 0.81 H new ATOM 0 HG3 GLU A 61 10.018 -15.258 0.057 1.00 0.81 H new ATOM 670 N ARG A 62 8.284 -11.905 -3.262 1.00 0.54 N ATOM 671 CA ARG A 62 7.470 -11.238 -4.276 1.00 0.53 C ATOM 672 C ARG A 62 6.574 -12.223 -5.019 1.00 0.53 C ATOM 673 O ARG A 62 5.390 -11.969 -5.189 1.00 0.64 O ATOM 674 CB ARG A 62 8.350 -10.475 -5.268 1.00 0.63 C ATOM 675 CG ARG A 62 7.554 -9.555 -6.181 1.00 1.40 C ATOM 676 CD ARG A 62 8.448 -8.799 -7.146 1.00 1.46 C ATOM 677 NE ARG A 62 7.684 -7.842 -7.945 1.00 2.25 N ATOM 678 CZ ARG A 62 8.120 -7.292 -9.076 1.00 2.60 C ATOM 679 NH1 ARG A 62 9.329 -7.582 -9.541 1.00 2.13 N ATOM 680 NH2 ARG A 62 7.347 -6.441 -9.735 1.00 3.67 N ATOM 0 H ARG A 62 9.291 -11.821 -3.402 1.00 0.54 H new ATOM 0 HA ARG A 62 6.828 -10.527 -3.756 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.083 -9.886 -4.717 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.906 -11.189 -5.876 1.00 0.63 H new ATOM 0 HG2 ARG A 62 6.828 -10.142 -6.744 1.00 1.40 H new ATOM 0 HG3 ARG A 62 6.990 -8.844 -5.577 1.00 1.40 H new ATOM 0 HD2 ARG A 62 9.224 -8.273 -6.589 1.00 1.46 H new ATOM 0 HD3 ARG A 62 8.952 -9.505 -7.806 1.00 1.46 H new ATOM 0 HE ARG A 62 6.756 -7.579 -7.614 1.00 2.25 H new ATOM 0 HH11 ARG A 62 9.930 -8.230 -9.031 1.00 2.13 H new ATOM 0 HH12 ARG A 62 9.657 -7.157 -10.408 1.00 2.13 H new ATOM 0 HH21 ARG A 62 6.421 -6.209 -9.375 1.00 3.67 H new ATOM 0 HH22 ARG A 62 7.678 -6.018 -10.602 1.00 3.67 H new ATOM 694 N GLU A 63 7.120 -13.360 -5.426 1.00 0.58 N ATOM 695 CA GLU A 63 6.346 -14.342 -6.185 1.00 0.64 C ATOM 696 C GLU A 63 5.250 -14.984 -5.330 1.00 0.63 C ATOM 697 O GLU A 63 4.380 -15.685 -5.847 1.00 0.75 O ATOM 698 CB GLU A 63 7.264 -15.419 -6.762 1.00 0.74 C ATOM 699 CG GLU A 63 8.221 -14.895 -7.821 1.00 1.70 C ATOM 700 CD GLU A 63 7.501 -14.337 -9.033 1.00 2.53 C ATOM 701 OE1 GLU A 63 7.211 -15.112 -9.967 1.00 3.12 O ATOM 702 OE2 GLU A 63 7.223 -13.120 -9.063 1.00 3.20 O ATOM 0 H GLU A 63 8.088 -13.628 -5.247 1.00 0.58 H new ATOM 0 HA GLU A 63 5.861 -13.812 -7.005 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.840 -15.866 -5.952 1.00 0.74 H new ATOM 0 HB3 GLU A 63 6.654 -16.212 -7.195 1.00 0.74 H new ATOM 0 HG2 GLU A 63 8.848 -14.117 -7.386 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.885 -15.700 -8.136 1.00 1.70 H new ATOM 709 N ALA A 64 5.280 -14.726 -4.028 1.00 0.55 N ATOM 710 CA ALA A 64 4.290 -15.286 -3.118 1.00 0.60 C ATOM 711 C ALA A 64 3.006 -14.460 -3.115 1.00 0.54 C ATOM 712 O ALA A 64 1.973 -14.919 -2.630 1.00 0.57 O ATOM 713 CB ALA A 64 4.855 -15.389 -1.711 1.00 0.67 C ATOM 0 H ALA A 64 5.979 -14.133 -3.580 1.00 0.55 H new ATOM 0 HA ALA A 64 4.044 -16.287 -3.472 1.00 0.60 H new ATOM 0 HB1 ALA A 64 4.101 -15.809 -1.046 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.733 -16.035 -1.718 1.00 0.67 H new ATOM 0 HB3 ALA A 64 5.137 -14.397 -1.359 1.00 0.67 H new ATOM 719 N VAL A 65 3.064 -13.247 -3.671 1.00 0.51 N ATOM 720 CA VAL A 65 1.895 -12.367 -3.697 1.00 0.47 C ATOM 721 C VAL A 65 0.745 -13.016 -4.466 1.00 0.53 C ATOM 722 O VAL A 65 -0.420 -12.874 -4.097 1.00 0.54 O ATOM 723 CB VAL A 65 2.215 -10.973 -4.302 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.713 -11.075 -5.731 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.003 -10.062 -4.240 1.00 0.50 C ATOM 0 H VAL A 65 3.900 -12.855 -4.105 1.00 0.51 H new ATOM 0 HA VAL A 65 1.596 -12.215 -2.660 1.00 0.47 H new ATOM 0 HB VAL A 65 3.014 -10.543 -3.698 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.925 -10.077 -6.115 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.623 -11.674 -5.757 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.950 -11.547 -6.349 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.254 -9.092 -4.670 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.184 -10.508 -4.804 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.699 -9.931 -3.201 1.00 0.50 H new ATOM 729 N SER A 66 1.085 -13.763 -5.511 1.00 0.63 N ATOM 730 CA SER A 66 0.093 -14.453 -6.321 1.00 0.75 C ATOM 731 C SER A 66 -0.667 -15.480 -5.479 1.00 0.76 C ATOM 732 O SER A 66 -1.865 -15.687 -5.663 1.00 0.84 O ATOM 733 CB SER A 66 0.783 -15.139 -7.499 1.00 0.89 C ATOM 734 OG SER A 66 1.673 -14.248 -8.156 1.00 1.63 O ATOM 0 H SER A 66 2.048 -13.905 -5.817 1.00 0.63 H new ATOM 0 HA SER A 66 -0.625 -13.725 -6.700 1.00 0.75 H new ATOM 0 HB2 SER A 66 1.332 -16.012 -7.146 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.034 -15.497 -8.205 1.00 0.89 H new ATOM 0 HG SER A 66 2.104 -14.710 -8.905 1.00 1.63 H new ATOM 740 N GLY A 67 0.041 -16.102 -4.542 1.00 0.73 N ATOM 741 CA GLY A 67 -0.578 -17.068 -3.659 1.00 0.75 C ATOM 742 C GLY A 67 -1.406 -16.402 -2.583 1.00 0.70 C ATOM 743 O GLY A 67 -2.505 -16.858 -2.264 1.00 0.76 O ATOM 0 H GLY A 67 1.037 -15.952 -4.380 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.211 -17.738 -4.241 1.00 0.75 H new ATOM 0 HA3 GLY A 67 0.194 -17.682 -3.195 1.00 0.75 H new ATOM 747 N ILE A 68 -0.885 -15.313 -2.031 1.00 0.63 N ATOM 748 CA ILE A 68 -1.602 -14.559 -1.013 1.00 0.59 C ATOM 749 C ILE A 68 -2.915 -14.026 -1.576 1.00 0.63 C ATOM 750 O ILE A 68 -3.963 -14.152 -0.952 1.00 0.71 O ATOM 751 CB ILE A 68 -0.768 -13.380 -0.465 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.586 -13.878 0.050 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.528 -12.666 0.647 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.495 -12.772 0.545 1.00 0.45 C ATOM 0 H ILE A 68 0.031 -14.933 -2.272 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.800 -15.245 -0.190 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.592 -12.673 -1.276 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.418 -14.587 0.860 1.00 0.50 H new ATOM 0 HG13 ILE A 68 1.091 -14.421 -0.749 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.928 -11.837 1.024 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.471 -12.283 0.256 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.729 -13.366 1.458 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.434 -13.202 0.894 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.695 -12.074 -0.268 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.011 -12.243 1.366 1.00 0.45 H new ATOM 761 N LEU A 69 -2.860 -13.468 -2.781 1.00 0.62 N ATOM 762 CA LEU A 69 -4.049 -12.918 -3.429 1.00 0.67 C ATOM 763 C LEU A 69 -4.983 -14.026 -3.916 1.00 0.85 C ATOM 764 O LEU A 69 -6.046 -13.756 -4.473 1.00 1.14 O ATOM 765 CB LEU A 69 -3.654 -12.006 -4.592 1.00 0.62 C ATOM 766 CG LEU A 69 -2.879 -10.748 -4.190 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.528 -9.919 -5.415 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.680 -9.920 -3.198 1.00 0.45 C ATOM 0 H LEU A 69 -2.005 -13.384 -3.330 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.587 -12.328 -2.687 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.049 -12.579 -5.295 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.558 -11.705 -5.122 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.951 -11.058 -3.709 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.978 -9.030 -5.107 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.911 -10.512 -6.091 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.443 -9.620 -5.927 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.112 -9.030 -2.925 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.625 -9.622 -3.652 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.878 -10.513 -2.305 1.00 0.45 H new ATOM 780 N GLY A 70 -4.581 -15.271 -3.703 1.00 0.81 N ATOM 781 CA GLY A 70 -5.434 -16.391 -4.033 1.00 0.94 C ATOM 782 C GLY A 70 -6.175 -16.907 -2.818 1.00 0.99 C ATOM 783 O GLY A 70 -7.257 -17.484 -2.939 1.00 1.25 O ATOM 0 H GLY A 70 -3.676 -15.524 -3.306 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.152 -16.090 -4.796 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -4.832 -17.193 -4.460 1.00 0.94 H new ATOM 787 N LYS A 71 -5.596 -16.684 -1.645 1.00 0.87 N ATOM 788 CA LYS A 71 -6.166 -17.170 -0.395 1.00 0.98 C ATOM 789 C LYS A 71 -6.870 -16.044 0.362 1.00 0.99 C ATOM 790 O LYS A 71 -7.771 -16.286 1.168 1.00 1.26 O ATOM 791 CB LYS A 71 -5.056 -17.776 0.469 1.00 1.11 C ATOM 792 CG LYS A 71 -5.553 -18.446 1.740 1.00 1.69 C ATOM 793 CD LYS A 71 -4.408 -19.060 2.527 1.00 2.11 C ATOM 794 CE LYS A 71 -4.909 -19.810 3.750 1.00 2.60 C ATOM 795 NZ LYS A 71 -5.830 -20.918 3.387 1.00 3.16 N ATOM 0 H LYS A 71 -4.725 -16.165 -1.533 1.00 0.87 H new ATOM 0 HA LYS A 71 -6.909 -17.934 -0.623 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.508 -18.508 -0.124 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -4.350 -16.990 0.738 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -6.071 -17.715 2.360 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -6.278 -19.219 1.486 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -3.849 -19.741 1.886 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -3.718 -18.276 2.838 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -4.059 -20.212 4.302 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -5.422 -19.116 4.416 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -5.933 -21.563 4.196 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -6.760 -20.528 3.134 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -5.442 -21.440 2.576 1.00 3.16 H new ATOM 809 N SER A 72 -6.453 -14.815 0.094 1.00 0.92 N ATOM 810 CA SER A 72 -7.010 -13.647 0.760 1.00 1.08 C ATOM 811 C SER A 72 -8.396 -13.311 0.218 1.00 1.04 C ATOM 812 O SER A 72 -8.861 -13.906 -0.756 1.00 1.21 O ATOM 813 CB SER A 72 -6.076 -12.455 0.568 1.00 1.30 C ATOM 814 OG SER A 72 -5.826 -12.216 -0.804 1.00 2.02 O ATOM 0 H SER A 72 -5.724 -14.600 -0.586 1.00 0.92 H new ATOM 0 HA SER A 72 -7.107 -13.872 1.822 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.518 -11.567 1.020 1.00 1.30 H new ATOM 0 HB3 SER A 72 -5.134 -12.641 1.085 1.00 1.30 H new ATOM 0 HG SER A 72 -5.233 -12.913 -1.155 1.00 2.02 H new ATOM 820 N GLU A 73 -9.045 -12.341 0.849 1.00 1.13 N ATOM 821 CA GLU A 73 -10.381 -11.926 0.447 1.00 1.31 C ATOM 822 C GLU A 73 -10.312 -10.800 -0.579 1.00 1.26 C ATOM 823 O GLU A 73 -11.313 -10.145 -0.872 1.00 1.87 O ATOM 824 CB GLU A 73 -11.184 -11.476 1.662 1.00 1.67 C ATOM 825 CG GLU A 73 -10.568 -10.291 2.376 1.00 1.87 C ATOM 826 CD GLU A 73 -11.347 -9.876 3.603 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.572 -10.128 3.647 1.00 2.46 O ATOM 828 OE2 GLU A 73 -10.745 -9.290 4.523 1.00 2.64 O ATOM 0 H GLU A 73 -8.666 -11.826 1.644 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.879 -12.781 -0.010 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -12.195 -11.217 1.346 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -11.272 -12.308 2.361 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -9.547 -10.538 2.666 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -10.508 -9.448 1.687 1.00 1.87 H new ATOM 835 N PHE A 74 -9.124 -10.582 -1.122 1.00 1.04 N ATOM 836 CA PHE A 74 -8.914 -9.539 -2.111 1.00 1.02 C ATOM 837 C PHE A 74 -8.515 -10.160 -3.440 1.00 1.08 C ATOM 838 O PHE A 74 -7.545 -9.746 -4.076 1.00 1.45 O ATOM 839 CB PHE A 74 -7.837 -8.563 -1.638 1.00 0.94 C ATOM 840 CG PHE A 74 -8.135 -7.941 -0.303 1.00 0.96 C ATOM 841 CD1 PHE A 74 -9.029 -6.889 -0.194 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.515 -8.410 0.841 1.00 1.18 C ATOM 843 CE1 PHE A 74 -9.300 -6.317 1.034 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.781 -7.843 2.071 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.675 -6.795 2.168 1.00 1.19 C ATOM 0 H PHE A 74 -8.287 -11.118 -0.892 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.845 -8.987 -2.242 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.883 -9.087 -1.581 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.723 -7.773 -2.380 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.520 -6.512 -1.079 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.815 -9.229 0.771 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -10.000 -5.497 1.107 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -7.290 -8.219 2.957 1.00 1.25 H new ATOM 0 HZ PHE A 74 -8.885 -6.350 3.130 1.00 1.19 H new ATOM 855 N LYS A 75 -9.269 -11.171 -3.845 1.00 1.12 N ATOM 856 CA LYS A 75 -9.004 -11.879 -5.090 1.00 1.23 C ATOM 857 C LYS A 75 -9.489 -11.061 -6.282 1.00 1.54 C ATOM 858 O LYS A 75 -9.015 -11.234 -7.404 1.00 2.04 O ATOM 859 CB LYS A 75 -9.695 -13.244 -5.071 1.00 1.43 C ATOM 860 CG LYS A 75 -9.193 -14.175 -3.979 1.00 1.47 C ATOM 861 CD LYS A 75 -10.053 -15.429 -3.868 1.00 1.66 C ATOM 862 CE LYS A 75 -9.978 -16.291 -5.122 1.00 2.28 C ATOM 863 NZ LYS A 75 -8.611 -16.832 -5.346 1.00 2.85 N ATOM 0 H LYS A 75 -10.074 -11.522 -3.326 1.00 1.12 H new ATOM 0 HA LYS A 75 -7.928 -12.026 -5.187 1.00 1.23 H new ATOM 0 HB2 LYS A 75 -10.767 -13.095 -4.943 1.00 1.43 H new ATOM 0 HB3 LYS A 75 -9.553 -13.725 -6.039 1.00 1.43 H new ATOM 0 HG2 LYS A 75 -8.161 -14.458 -4.188 1.00 1.47 H new ATOM 0 HG3 LYS A 75 -9.192 -13.649 -3.024 1.00 1.47 H new ATOM 0 HD2 LYS A 75 -9.730 -16.014 -3.007 1.00 1.66 H new ATOM 0 HD3 LYS A 75 -11.089 -15.142 -3.688 1.00 1.66 H new ATOM 0 HE2 LYS A 75 -10.685 -17.116 -5.037 1.00 2.28 H new ATOM 0 HE3 LYS A 75 -10.280 -15.700 -5.987 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 -8.672 -17.714 -5.894 1.00 2.85 H new ATOM 0 HZ2 LYS A 75 -8.044 -16.136 -5.871 1.00 2.85 H new ATOM 0 HZ3 LYS A 75 -8.159 -17.025 -4.429 1.00 2.85 H new ATOM 877 N GLY A 76 -10.439 -10.172 -6.026 1.00 1.89 N ATOM 878 CA GLY A 76 -10.968 -9.325 -7.073 1.00 2.41 C ATOM 879 C GLY A 76 -10.639 -7.868 -6.833 1.00 1.95 C ATOM 880 O GLY A 76 -10.819 -7.374 -5.720 1.00 2.42 O ATOM 0 H GLY A 76 -10.854 -10.023 -5.106 1.00 1.89 H new ATOM 0 HA2 GLY A 76 -10.560 -9.637 -8.034 1.00 2.41 H new ATOM 0 HA3 GLY A 76 -12.049 -9.449 -7.130 1.00 2.41 H new ATOM 884 N GLN A 77 -10.161 -7.195 -7.884 1.00 1.50 N ATOM 885 CA GLN A 77 -9.742 -5.789 -7.818 1.00 1.32 C ATOM 886 C GLN A 77 -8.429 -5.637 -7.057 1.00 1.10 C ATOM 887 O GLN A 77 -8.228 -6.224 -5.993 1.00 1.51 O ATOM 888 CB GLN A 77 -10.825 -4.897 -7.201 1.00 1.56 C ATOM 889 CG GLN A 77 -12.012 -4.658 -8.120 1.00 2.02 C ATOM 890 CD GLN A 77 -13.024 -3.695 -7.530 1.00 2.54 C ATOM 891 OE1 GLN A 77 -13.949 -4.102 -6.834 1.00 2.88 O ATOM 892 NE2 GLN A 77 -12.864 -2.414 -7.815 1.00 3.28 N ATOM 0 H GLN A 77 -10.053 -7.611 -8.809 1.00 1.50 H new ATOM 0 HA GLN A 77 -9.585 -5.458 -8.845 1.00 1.32 H new ATOM 0 HB2 GLN A 77 -11.178 -5.355 -6.277 1.00 1.56 H new ATOM 0 HB3 GLN A 77 -10.384 -3.937 -6.933 1.00 1.56 H new ATOM 0 HG2 GLN A 77 -11.656 -4.266 -9.073 1.00 2.02 H new ATOM 0 HG3 GLN A 77 -12.501 -5.609 -8.330 1.00 2.02 H new ATOM 0 HE21 GLN A 77 -12.082 -2.115 -8.397 1.00 3.28 H new ATOM 0 HE22 GLN A 77 -13.523 -1.725 -7.452 1.00 3.28 H new ATOM 901 N HIS A 78 -7.524 -4.852 -7.625 1.00 0.88 N ATOM 902 CA HIS A 78 -6.220 -4.623 -7.022 1.00 0.85 C ATOM 903 C HIS A 78 -6.332 -3.507 -5.990 1.00 0.69 C ATOM 904 O HIS A 78 -7.422 -2.980 -5.771 1.00 0.68 O ATOM 905 CB HIS A 78 -5.191 -4.246 -8.093 1.00 1.02 C ATOM 906 CG HIS A 78 -5.184 -5.154 -9.288 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.974 -4.936 -10.395 1.00 1.50 N ATOM 908 CD2 HIS A 78 -4.479 -6.279 -9.550 1.00 1.41 C ATOM 909 CE1 HIS A 78 -5.754 -5.883 -11.285 1.00 1.96 C ATOM 910 NE2 HIS A 78 -4.850 -6.712 -10.798 1.00 1.85 N ATOM 0 H HIS A 78 -7.671 -4.361 -8.507 1.00 0.88 H new ATOM 0 HA HIS A 78 -5.887 -5.539 -6.535 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.387 -3.227 -8.426 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -4.198 -4.248 -7.643 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -6.628 -4.162 -10.508 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -3.758 -6.749 -8.898 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -6.233 -5.966 -12.250 1.00 1.96 H new ATOM 919 N LEU A 79 -5.212 -3.130 -5.382 1.00 0.60 N ATOM 920 CA LEU A 79 -5.220 -2.123 -4.322 1.00 0.46 C ATOM 921 C LEU A 79 -5.876 -0.830 -4.792 1.00 0.44 C ATOM 922 O LEU A 79 -6.819 -0.341 -4.174 1.00 0.42 O ATOM 923 CB LEU A 79 -3.800 -1.819 -3.844 1.00 0.44 C ATOM 924 CG LEU A 79 -3.724 -0.895 -2.626 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.344 -1.563 -1.410 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.288 -0.496 -2.340 1.00 0.41 C ATOM 0 H LEU A 79 -4.289 -3.504 -5.603 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.798 -2.534 -3.495 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.302 -2.758 -3.603 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.244 -1.365 -4.664 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.290 0.009 -2.850 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.281 -0.891 -0.554 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.390 -1.793 -1.615 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.807 -2.485 -1.188 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.259 0.161 -1.470 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.695 -1.389 -2.141 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.877 0.027 -3.203 1.00 0.41 H new ATOM 938 N ALA A 80 -5.387 -0.292 -5.898 1.00 0.50 N ATOM 939 CA ALA A 80 -5.883 0.977 -6.406 1.00 0.54 C ATOM 940 C ALA A 80 -7.332 0.865 -6.862 1.00 0.58 C ATOM 941 O ALA A 80 -8.086 1.827 -6.775 1.00 0.61 O ATOM 942 CB ALA A 80 -5.002 1.474 -7.532 1.00 0.63 C ATOM 0 H ALA A 80 -4.648 -0.714 -6.460 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.850 1.702 -5.592 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.386 2.425 -7.902 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.985 1.612 -7.165 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.000 0.744 -8.341 1.00 0.63 H new ATOM 948 N ASP A 81 -7.720 -0.315 -7.337 1.00 0.64 N ATOM 949 CA ASP A 81 -9.109 -0.563 -7.718 1.00 0.70 C ATOM 950 C ASP A 81 -9.997 -0.490 -6.484 1.00 0.60 C ATOM 951 O ASP A 81 -11.077 0.104 -6.501 1.00 0.67 O ATOM 952 CB ASP A 81 -9.268 -1.938 -8.376 1.00 0.78 C ATOM 953 CG ASP A 81 -8.519 -2.067 -9.684 1.00 1.52 C ATOM 954 OD1 ASP A 81 -8.872 -1.365 -10.652 1.00 2.06 O ATOM 955 OD2 ASP A 81 -7.580 -2.885 -9.756 1.00 2.30 O ATOM 0 H ASP A 81 -7.096 -1.112 -7.467 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.404 0.200 -8.439 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.916 -2.706 -7.687 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.327 -2.129 -8.552 1.00 0.78 H new ATOM 960 N ILE A 82 -9.513 -1.103 -5.412 1.00 0.50 N ATOM 961 CA ILE A 82 -10.179 -1.069 -4.120 1.00 0.45 C ATOM 962 C ILE A 82 -10.314 0.367 -3.617 1.00 0.48 C ATOM 963 O ILE A 82 -11.402 0.806 -3.245 1.00 0.61 O ATOM 964 CB ILE A 82 -9.396 -1.915 -3.093 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.563 -3.404 -3.406 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.835 -1.604 -1.670 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.708 -4.304 -2.545 1.00 0.61 C ATOM 0 H ILE A 82 -8.645 -1.639 -5.416 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.178 -1.489 -4.241 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.340 -1.658 -3.170 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.610 -3.679 -3.276 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.316 -3.576 -4.454 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.265 -2.216 -0.971 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.658 -0.550 -1.457 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.897 -1.823 -1.561 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.879 -5.344 -2.823 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.657 -4.057 -2.693 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.970 -4.161 -1.497 1.00 0.61 H new ATOM 974 N LEU A 83 -9.207 1.097 -3.632 1.00 0.44 N ATOM 975 CA LEU A 83 -9.197 2.488 -3.193 1.00 0.52 C ATOM 976 C LEU A 83 -10.079 3.352 -4.088 1.00 0.69 C ATOM 977 O LEU A 83 -10.719 4.288 -3.623 1.00 0.83 O ATOM 978 CB LEU A 83 -7.768 3.038 -3.175 1.00 0.47 C ATOM 979 CG LEU A 83 -6.974 2.793 -1.886 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.867 1.308 -1.568 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.591 3.405 -2.006 1.00 0.42 C ATOM 0 H LEU A 83 -8.301 0.749 -3.944 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.599 2.520 -2.180 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.219 2.597 -4.007 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.810 4.112 -3.355 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.510 3.269 -1.065 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.298 1.173 -0.648 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.866 0.890 -1.441 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.361 0.796 -2.386 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -5.033 3.227 -1.087 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -5.063 2.950 -2.844 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.681 4.478 -2.173 1.00 0.42 H new ATOM 993 N ASN A 84 -10.124 3.017 -5.371 1.00 0.74 N ATOM 994 CA ASN A 84 -10.944 3.749 -6.333 1.00 0.94 C ATOM 995 C ASN A 84 -12.430 3.497 -6.073 1.00 0.97 C ATOM 996 O ASN A 84 -13.294 4.242 -6.533 1.00 1.15 O ATOM 997 CB ASN A 84 -10.573 3.338 -7.762 1.00 1.04 C ATOM 998 CG ASN A 84 -11.245 4.194 -8.818 1.00 1.27 C ATOM 999 OD1 ASN A 84 -12.336 3.877 -9.291 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -10.592 5.281 -9.200 1.00 1.79 N ATOM 0 H ASN A 84 -9.600 2.239 -5.773 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.752 4.815 -6.214 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.492 3.403 -7.884 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.849 2.295 -7.918 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -10.992 5.892 -9.912 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -9.690 5.507 -8.782 1.00 1.79 H new ATOM 1007 N SER A 85 -12.715 2.438 -5.333 1.00 0.87 N ATOM 1008 CA SER A 85 -14.082 2.092 -4.975 1.00 0.93 C ATOM 1009 C SER A 85 -14.494 2.771 -3.667 1.00 0.91 C ATOM 1010 O SER A 85 -15.661 2.730 -3.272 1.00 1.01 O ATOM 1011 CB SER A 85 -14.225 0.573 -4.865 1.00 0.98 C ATOM 1012 OG SER A 85 -13.810 -0.061 -6.067 1.00 1.50 O ATOM 0 H SER A 85 -12.011 1.798 -4.965 1.00 0.87 H new ATOM 0 HA SER A 85 -14.747 2.451 -5.760 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.628 0.206 -4.030 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.262 0.315 -4.652 1.00 0.98 H new ATOM 0 HG SER A 85 -12.837 0.017 -6.159 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.532 3.388 -2.990 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.785 4.017 -1.702 1.00 0.95 C ATOM 1020 C ALA A 86 -13.430 5.500 -1.733 1.00 1.14 C ATOM 1021 O ALA A 86 -12.663 5.945 -2.586 1.00 1.71 O ATOM 1022 CB ALA A 86 -13.001 3.307 -0.609 1.00 1.09 C ATOM 0 H ALA A 86 -12.568 3.465 -3.314 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.850 3.932 -1.486 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -13.198 3.786 0.350 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -13.307 2.262 -0.562 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.935 3.363 -0.831 1.00 1.09 H new ATOM 1028 N SER A 87 -14.000 6.257 -0.804 1.00 1.41 N ATOM 1029 CA SER A 87 -13.727 7.683 -0.692 1.00 1.70 C ATOM 1030 C SER A 87 -14.358 8.228 0.586 1.00 1.53 C ATOM 1031 O SER A 87 -15.498 7.890 0.910 1.00 1.80 O ATOM 1032 CB SER A 87 -14.282 8.424 -1.914 1.00 2.36 C ATOM 1033 OG SER A 87 -13.818 9.761 -1.966 1.00 3.09 O ATOM 0 H SER A 87 -14.660 5.902 -0.112 1.00 1.41 H new ATOM 0 HA SER A 87 -12.649 7.838 -0.651 1.00 1.70 H new ATOM 0 HB2 SER A 87 -13.987 7.900 -2.823 1.00 2.36 H new ATOM 0 HB3 SER A 87 -15.371 8.417 -1.881 1.00 2.36 H new ATOM 0 HG SER A 87 -13.308 9.898 -2.791 1.00 3.09 H new ATOM 1039 N ARG A 88 -13.614 9.050 1.321 1.00 1.60 N ATOM 1040 CA ARG A 88 -14.116 9.646 2.557 1.00 1.65 C ATOM 1041 C ARG A 88 -13.529 11.030 2.775 1.00 1.89 C ATOM 1042 O ARG A 88 -12.316 11.184 2.946 1.00 2.38 O ATOM 1043 CB ARG A 88 -13.797 8.775 3.775 1.00 2.05 C ATOM 1044 CG ARG A 88 -14.666 7.537 3.895 1.00 2.61 C ATOM 1045 CD ARG A 88 -14.568 6.929 5.281 1.00 3.30 C ATOM 1046 NE ARG A 88 -15.047 7.845 6.318 1.00 4.00 N ATOM 1047 CZ ARG A 88 -15.343 7.475 7.566 1.00 4.74 C ATOM 1048 NH1 ARG A 88 -15.241 6.202 7.929 1.00 4.99 N ATOM 1049 NH2 ARG A 88 -15.750 8.378 8.448 1.00 5.55 N ATOM 0 H ARG A 88 -12.660 9.319 1.082 1.00 1.60 H new ATOM 0 HA ARG A 88 -15.198 9.722 2.450 1.00 1.65 H new ATOM 0 HB2 ARG A 88 -12.752 8.469 3.726 1.00 2.05 H new ATOM 0 HB3 ARG A 88 -13.911 9.375 4.678 1.00 2.05 H new ATOM 0 HG2 ARG A 88 -15.703 7.796 3.681 1.00 2.61 H new ATOM 0 HG3 ARG A 88 -14.361 6.802 3.150 1.00 2.61 H new ATOM 0 HD2 ARG A 88 -15.150 6.008 5.314 1.00 3.30 H new ATOM 0 HD3 ARG A 88 -13.532 6.659 5.486 1.00 3.30 H new ATOM 0 HE ARG A 88 -15.162 8.828 6.071 1.00 4.00 H new ATOM 0 HH11 ARG A 88 -14.935 5.502 7.253 1.00 4.99 H new ATOM 0 HH12 ARG A 88 -15.468 5.924 8.884 1.00 4.99 H new ATOM 0 HH21 ARG A 88 -15.837 9.356 8.173 1.00 5.55 H new ATOM 0 HH22 ARG A 88 -15.976 8.094 9.401 1.00 5.55 H new ATOM 1063 N VAL A 89 -14.392 12.034 2.779 1.00 1.99 N ATOM 1064 CA VAL A 89 -13.969 13.404 3.031 1.00 2.41 C ATOM 1065 C VAL A 89 -14.681 13.971 4.264 1.00 2.25 C ATOM 1066 O VAL A 89 -15.714 14.638 4.149 1.00 2.30 O ATOM 1067 CB VAL A 89 -14.240 14.316 1.811 1.00 3.06 C ATOM 1068 CG1 VAL A 89 -13.713 15.725 2.053 1.00 3.58 C ATOM 1069 CG2 VAL A 89 -13.620 13.726 0.551 1.00 3.55 C ATOM 0 H VAL A 89 -15.392 11.926 2.610 1.00 1.99 H new ATOM 0 HA VAL A 89 -12.894 13.383 3.212 1.00 2.41 H new ATOM 0 HB VAL A 89 -15.319 14.377 1.671 1.00 3.06 H new ATOM 0 HG11 VAL A 89 -13.917 16.345 1.180 1.00 3.58 H new ATOM 0 HG12 VAL A 89 -14.207 16.153 2.925 1.00 3.58 H new ATOM 0 HG13 VAL A 89 -12.638 15.686 2.227 1.00 3.58 H new ATOM 0 HG21 VAL A 89 -13.822 14.382 -0.296 1.00 3.55 H new ATOM 0 HG22 VAL A 89 -12.543 13.629 0.686 1.00 3.55 H new ATOM 0 HG23 VAL A 89 -14.051 12.743 0.359 1.00 3.55 H new ATOM 1073 N PRO A 90 -14.158 13.682 5.469 1.00 2.60 N ATOM 1074 CA PRO A 90 -14.662 14.253 6.710 1.00 2.83 C ATOM 1075 C PRO A 90 -14.137 15.668 6.911 1.00 2.80 C ATOM 1076 O PRO A 90 -13.261 16.115 6.165 1.00 3.31 O ATOM 1077 CB PRO A 90 -14.120 13.315 7.802 1.00 3.67 C ATOM 1078 CG PRO A 90 -13.387 12.227 7.083 1.00 3.95 C ATOM 1079 CD PRO A 90 -13.041 12.778 5.732 1.00 3.27 C ATOM 0 HA PRO A 90 -15.749 14.329 6.721 1.00 2.83 H new ATOM 0 HB2 PRO A 90 -13.456 13.850 8.482 1.00 3.67 H new ATOM 0 HB3 PRO A 90 -14.932 12.907 8.404 1.00 3.67 H new ATOM 0 HG2 PRO A 90 -12.488 11.938 7.627 1.00 3.95 H new ATOM 0 HG3 PRO A 90 -14.006 11.334 6.993 1.00 3.95 H new ATOM 0 HD2 PRO A 90 -12.086 13.303 5.739 1.00 3.27 H new ATOM 0 HD3 PRO A 90 -12.967 11.993 4.979 1.00 3.27 H new ATOM 1087 N GLU A 91 -14.672 16.362 7.912 1.00 2.59 N ATOM 1088 CA GLU A 91 -14.286 17.742 8.191 1.00 2.75 C ATOM 1089 C GLU A 91 -14.579 18.611 6.965 1.00 2.55 C ATOM 1090 O GLU A 91 -13.741 19.394 6.510 1.00 2.93 O ATOM 1091 CB GLU A 91 -12.801 17.812 8.581 1.00 3.30 C ATOM 1092 CG GLU A 91 -12.384 19.125 9.223 1.00 3.94 C ATOM 1093 CD GLU A 91 -10.909 19.158 9.561 1.00 4.58 C ATOM 1094 OE1 GLU A 91 -10.536 18.713 10.668 1.00 5.08 O ATOM 1095 OE2 GLU A 91 -10.110 19.623 8.717 1.00 5.02 O ATOM 0 H GLU A 91 -15.378 15.989 8.547 1.00 2.59 H new ATOM 0 HA GLU A 91 -14.867 18.120 9.032 1.00 2.75 H new ATOM 0 HB2 GLU A 91 -12.580 16.997 9.271 1.00 3.30 H new ATOM 0 HB3 GLU A 91 -12.195 17.648 7.690 1.00 3.30 H new ATOM 0 HG2 GLU A 91 -12.618 19.947 8.547 1.00 3.94 H new ATOM 0 HG3 GLU A 91 -12.966 19.284 10.131 1.00 3.94 H new ATOM 1102 N SER A 92 -15.777 18.443 6.428 1.00 2.55 N ATOM 1103 CA SER A 92 -16.184 19.134 5.223 1.00 2.76 C ATOM 1104 C SER A 92 -17.467 19.920 5.486 1.00 2.95 C ATOM 1105 O SER A 92 -17.368 21.120 5.819 1.00 3.07 O ATOM 1106 CB SER A 92 -16.387 18.121 4.089 1.00 3.61 C ATOM 1107 OG SER A 92 -16.624 18.759 2.845 1.00 4.12 O ATOM 1108 OXT SER A 92 -18.566 19.333 5.381 1.00 3.54 O ATOM 0 H SER A 92 -16.490 17.825 6.816 1.00 2.55 H new ATOM 0 HA SER A 92 -15.406 19.836 4.924 1.00 2.76 H new ATOM 0 HB2 SER A 92 -15.505 17.485 4.008 1.00 3.61 H new ATOM 0 HB3 SER A 92 -17.228 17.471 4.329 1.00 3.61 H new ATOM 0 HG SER A 92 -16.747 18.081 2.148 1.00 4.12 H new TER 1114 SER A 92 ATOM 1115 N MET B 14 -5.182 13.695 -7.226 1.00 4.46 N ATOM 1116 CA MET B 14 -6.038 13.586 -6.026 1.00 3.81 C ATOM 1117 C MET B 14 -7.509 13.467 -6.411 1.00 2.82 C ATOM 1118 O MET B 14 -7.897 13.851 -7.519 1.00 2.99 O ATOM 1119 CB MET B 14 -5.811 14.780 -5.084 1.00 4.49 C ATOM 1120 CG MET B 14 -5.770 16.138 -5.775 1.00 5.01 C ATOM 1121 SD MET B 14 -7.369 16.675 -6.409 1.00 5.79 S ATOM 1122 CE MET B 14 -6.910 18.208 -7.217 1.00 6.44 C ATOM 0 HA MET B 14 -5.758 12.677 -5.494 1.00 3.81 H new ATOM 0 HB2 MET B 14 -6.604 14.792 -4.337 1.00 4.49 H new ATOM 0 HB3 MET B 14 -4.872 14.631 -4.550 1.00 4.49 H new ATOM 0 HG2 MET B 14 -5.399 16.883 -5.071 1.00 5.01 H new ATOM 0 HG3 MET B 14 -5.058 16.095 -6.599 1.00 5.01 H new ATOM 0 HE1 MET B 14 -7.766 18.601 -7.766 1.00 6.44 H new ATOM 0 HE2 MET B 14 -6.595 18.934 -6.468 1.00 6.44 H new ATOM 0 HE3 MET B 14 -6.089 18.023 -7.910 1.00 6.44 H new ATOM 1134 N MET B 15 -8.307 12.887 -5.506 1.00 2.12 N ATOM 1135 CA MET B 15 -9.756 12.763 -5.679 1.00 1.95 C ATOM 1136 C MET B 15 -10.110 11.802 -6.805 1.00 1.69 C ATOM 1137 O MET B 15 -11.234 11.792 -7.307 1.00 2.48 O ATOM 1138 CB MET B 15 -10.368 14.121 -5.957 1.00 2.52 C ATOM 1139 CG MET B 15 -10.386 15.049 -4.754 1.00 3.06 C ATOM 1140 SD MET B 15 -11.095 16.662 -5.136 1.00 3.93 S ATOM 1141 CE MET B 15 -10.993 17.452 -3.533 1.00 4.73 C ATOM 0 H MET B 15 -7.963 12.490 -4.632 1.00 2.12 H new ATOM 0 HA MET B 15 -10.163 12.360 -4.751 1.00 1.95 H new ATOM 0 HB2 MET B 15 -9.813 14.600 -6.764 1.00 2.52 H new ATOM 0 HB3 MET B 15 -11.389 13.982 -6.311 1.00 2.52 H new ATOM 0 HG2 MET B 15 -10.958 14.585 -3.950 1.00 3.06 H new ATOM 0 HG3 MET B 15 -9.369 15.181 -4.386 1.00 3.06 H new ATOM 0 HE1 MET B 15 -11.394 18.463 -3.600 1.00 4.73 H new ATOM 0 HE2 MET B 15 -11.571 16.879 -2.808 1.00 4.73 H new ATOM 0 HE3 MET B 15 -9.952 17.495 -3.214 1.00 4.73 H new ATOM 1151 N SER B 16 -9.143 11.006 -7.196 1.00 1.19 N ATOM 1152 CA SER B 16 -9.342 10.022 -8.249 1.00 1.17 C ATOM 1153 C SER B 16 -8.555 8.749 -7.940 1.00 1.05 C ATOM 1154 O SER B 16 -8.200 7.991 -8.845 1.00 1.91 O ATOM 1155 CB SER B 16 -8.899 10.611 -9.594 1.00 1.62 C ATOM 1156 OG SER B 16 -9.344 9.821 -10.686 1.00 2.01 O ATOM 0 H SER B 16 -8.202 11.016 -6.801 1.00 1.19 H new ATOM 0 HA SER B 16 -10.400 9.766 -8.304 1.00 1.17 H new ATOM 0 HB2 SER B 16 -9.290 11.623 -9.694 1.00 1.62 H new ATOM 0 HB3 SER B 16 -7.812 10.685 -9.618 1.00 1.62 H new ATOM 0 HG SER B 16 -9.139 8.878 -10.513 1.00 2.01 H new ATOM 1162 N ALA B 17 -8.313 8.512 -6.649 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.403 7.456 -6.211 1.00 0.81 C ATOM 1164 C ALA B 17 -6.094 7.558 -6.979 1.00 0.69 C ATOM 1165 O ALA B 17 -5.628 6.590 -7.582 1.00 0.71 O ATOM 1166 CB ALA B 17 -8.024 6.074 -6.379 1.00 1.09 C ATOM 0 H ALA B 17 -8.738 9.041 -5.887 1.00 0.94 H new ATOM 0 HA ALA B 17 -7.206 7.592 -5.148 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -7.318 5.315 -6.043 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.936 6.010 -5.785 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -8.263 5.908 -7.429 1.00 1.09 H new ATOM 1172 N SER B 18 -5.529 8.752 -6.977 1.00 0.64 N ATOM 1173 CA SER B 18 -4.323 9.029 -7.729 1.00 0.61 C ATOM 1174 C SER B 18 -3.115 8.361 -7.087 1.00 0.50 C ATOM 1175 O SER B 18 -3.171 7.956 -5.925 1.00 0.45 O ATOM 1176 CB SER B 18 -4.106 10.539 -7.823 1.00 0.67 C ATOM 1177 OG SER B 18 -5.261 11.190 -8.328 1.00 1.33 O ATOM 0 H SER B 18 -5.892 9.551 -6.457 1.00 0.64 H new ATOM 0 HA SER B 18 -4.440 8.621 -8.733 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.862 10.937 -6.838 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.255 10.748 -8.471 1.00 0.67 H new ATOM 0 HG SER B 18 -5.262 12.126 -8.037 1.00 1.33 H new ATOM 1183 N LYS B 19 -2.030 8.253 -7.842 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.820 7.583 -7.374 1.00 0.43 C ATOM 1185 C LYS B 19 -0.387 8.141 -6.020 1.00 0.35 C ATOM 1186 O LYS B 19 -0.101 7.391 -5.081 1.00 0.28 O ATOM 1187 CB LYS B 19 0.302 7.769 -8.398 1.00 0.54 C ATOM 1188 CG LYS B 19 -0.145 7.537 -9.832 1.00 0.85 C ATOM 1189 CD LYS B 19 1.005 7.690 -10.809 1.00 1.13 C ATOM 1190 CE LYS B 19 0.501 7.839 -12.236 1.00 1.74 C ATOM 1191 NZ LYS B 19 -0.359 6.702 -12.650 1.00 2.10 N ATOM 0 H LYS B 19 -1.962 8.624 -8.790 1.00 0.50 H new ATOM 0 HA LYS B 19 -1.031 6.520 -7.258 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.701 8.779 -8.309 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.116 7.083 -8.163 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.570 6.537 -9.924 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.935 8.244 -10.086 1.00 0.85 H new ATOM 0 HD2 LYS B 19 1.601 8.562 -10.539 1.00 1.13 H new ATOM 0 HD3 LYS B 19 1.661 6.822 -10.741 1.00 1.13 H new ATOM 0 HE2 LYS B 19 -0.061 8.769 -12.325 1.00 1.74 H new ATOM 0 HE3 LYS B 19 1.351 7.914 -12.914 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 -0.827 6.931 -13.550 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.226 5.850 -12.771 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 -1.079 6.527 -11.920 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.385 9.466 -5.932 1.00 0.41 N ATOM 1206 CA GLU B 20 0.007 10.178 -4.722 1.00 0.42 C ATOM 1207 C GLU B 20 -0.850 9.768 -3.524 1.00 0.34 C ATOM 1208 O GLU B 20 -0.338 9.573 -2.422 1.00 0.30 O ATOM 1209 CB GLU B 20 -0.109 11.689 -4.964 1.00 0.57 C ATOM 1210 CG GLU B 20 -1.505 12.127 -5.393 1.00 0.64 C ATOM 1211 CD GLU B 20 -1.565 13.560 -5.877 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.544 14.275 -5.780 1.00 1.58 O ATOM 1213 OE2 GLU B 20 -2.636 13.974 -6.374 1.00 1.49 O ATOM 0 H GLU B 20 -0.656 10.079 -6.701 1.00 0.41 H new ATOM 0 HA GLU B 20 1.040 9.918 -4.489 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.165 12.218 -4.051 1.00 0.57 H new ATOM 0 HB3 GLU B 20 0.608 11.983 -5.731 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.856 11.468 -6.187 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -2.189 12.006 -4.553 1.00 0.64 H new ATOM 1220 N GLU B 21 -2.148 9.618 -3.757 1.00 0.37 N ATOM 1221 CA GLU B 21 -3.095 9.291 -2.701 1.00 0.39 C ATOM 1222 C GLU B 21 -2.868 7.874 -2.205 1.00 0.32 C ATOM 1223 O GLU B 21 -2.857 7.612 -1.002 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.523 9.430 -3.223 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.844 10.816 -3.751 1.00 0.62 C ATOM 1226 CD GLU B 21 -6.276 10.949 -4.230 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.548 10.592 -5.393 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -7.126 11.447 -3.463 1.00 1.49 O ATOM 0 H GLU B 21 -2.571 9.719 -4.679 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.944 9.982 -1.872 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.683 8.701 -4.018 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.220 9.185 -2.421 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.659 11.550 -2.966 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -4.168 11.051 -4.573 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.676 6.969 -3.149 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.454 5.568 -2.839 1.00 0.29 C ATOM 1237 C ILE B 22 -1.153 5.391 -2.063 1.00 0.24 C ATOM 1238 O ILE B 22 -1.132 4.754 -1.012 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.412 4.727 -4.128 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.685 4.971 -4.945 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.251 3.248 -3.795 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.589 4.500 -6.376 1.00 0.44 C ATOM 0 H ILE B 22 -2.670 7.183 -4.146 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.283 5.223 -2.221 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.552 5.030 -4.725 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.519 4.464 -4.460 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.912 6.037 -4.937 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.223 2.668 -4.718 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.322 3.098 -3.244 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.092 2.919 -3.185 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.527 4.706 -6.891 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.777 5.025 -6.878 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.394 3.428 -6.394 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.080 5.985 -2.578 1.00 0.20 N ATOM 1250 CA ALA B 23 1.227 5.906 -1.937 1.00 0.19 C ATOM 1251 C ALA B 23 1.181 6.479 -0.525 1.00 0.20 C ATOM 1252 O ALA B 23 1.825 5.959 0.388 1.00 0.20 O ATOM 1253 CB ALA B 23 2.267 6.640 -2.766 1.00 0.20 C ATOM 0 H ALA B 23 -0.092 6.528 -3.441 1.00 0.20 H new ATOM 0 HA ALA B 23 1.506 4.854 -1.869 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.238 6.572 -2.275 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.329 6.188 -3.756 1.00 0.20 H new ATOM 0 HB3 ALA B 23 1.982 7.688 -2.863 1.00 0.20 H new ATOM 1259 N ALA B 24 0.410 7.548 -0.357 1.00 0.22 N ATOM 1260 CA ALA B 24 0.229 8.172 0.946 1.00 0.25 C ATOM 1261 C ALA B 24 -0.355 7.179 1.942 1.00 0.23 C ATOM 1262 O ALA B 24 0.135 7.042 3.060 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.671 9.389 0.821 1.00 0.31 C ATOM 0 H ALA B 24 -0.102 8.002 -1.113 1.00 0.22 H new ATOM 0 HA ALA B 24 1.203 8.492 1.316 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.800 9.848 1.801 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.217 10.109 0.140 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.643 9.085 0.432 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.393 6.474 1.521 1.00 0.23 N ATOM 1270 CA LEU B 25 -2.036 5.478 2.367 1.00 0.23 C ATOM 1271 C LEU B 25 -1.111 4.288 2.607 1.00 0.22 C ATOM 1272 O LEU B 25 -1.119 3.688 3.683 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.341 5.011 1.726 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.436 6.072 1.639 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.600 5.554 0.816 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.905 6.468 3.032 1.00 0.43 C ATOM 0 H LEU B 25 -1.810 6.573 0.596 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.257 5.937 3.331 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.125 4.651 0.720 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.723 4.162 2.293 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.028 6.956 1.150 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.375 6.318 0.760 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.256 5.313 -0.190 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -6.007 4.658 1.285 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.685 7.225 2.952 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.301 5.592 3.545 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -4.065 6.871 3.598 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.310 3.961 1.602 1.00 0.20 N ATOM 1289 CA ILE B 26 0.642 2.863 1.701 1.00 0.21 C ATOM 1290 C ILE B 26 1.696 3.143 2.772 1.00 0.20 C ATOM 1291 O ILE B 26 1.911 2.323 3.670 1.00 0.22 O ATOM 1292 CB ILE B 26 1.328 2.596 0.342 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.302 2.082 -0.676 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.470 1.603 0.502 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.867 1.864 -2.063 1.00 0.27 C ATOM 0 H ILE B 26 -0.301 4.444 0.704 1.00 0.20 H new ATOM 0 HA ILE B 26 0.083 1.973 1.988 1.00 0.21 H new ATOM 0 HB ILE B 26 1.745 3.533 -0.027 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.115 1.143 -0.313 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.521 2.794 -0.738 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.939 1.429 -0.466 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.208 2.006 1.196 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.082 0.662 0.891 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.080 1.501 -2.724 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.258 2.805 -2.449 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.670 1.129 -2.017 1.00 0.27 H new ATOM 1302 N VAL B 27 2.335 4.306 2.693 1.00 0.18 N ATOM 1303 CA VAL B 27 3.350 4.672 3.673 1.00 0.20 C ATOM 1304 C VAL B 27 2.708 4.930 5.034 1.00 0.22 C ATOM 1305 O VAL B 27 3.340 4.751 6.077 1.00 0.23 O ATOM 1306 CB VAL B 27 4.179 5.905 3.237 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.881 5.635 1.914 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.314 7.152 3.136 1.00 0.21 C ATOM 0 H VAL B 27 2.170 5.004 1.968 1.00 0.18 H new ATOM 0 HA VAL B 27 4.037 3.829 3.747 1.00 0.20 H new ATOM 0 HB VAL B 27 4.932 6.085 4.004 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.459 6.512 1.623 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.549 4.781 2.024 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.139 5.418 1.146 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.929 7.997 2.828 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.526 6.990 2.401 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.866 7.364 4.107 1.00 0.21 H new ATOM 1312 N ASN B 28 1.443 5.337 5.010 1.00 0.25 N ATOM 1313 CA ASN B 28 0.665 5.535 6.227 1.00 0.32 C ATOM 1314 C ASN B 28 0.508 4.216 6.976 1.00 0.27 C ATOM 1315 O ASN B 28 0.724 4.151 8.187 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.715 6.104 5.885 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.613 6.276 7.098 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.817 6.047 7.019 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.048 6.704 8.218 1.00 0.86 N ATOM 0 H ASN B 28 0.931 5.538 4.151 1.00 0.25 H new ATOM 0 HA ASN B 28 1.194 6.243 6.865 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.591 7.069 5.394 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.205 5.444 5.170 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -1.617 6.854 9.051 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -0.044 6.884 8.247 1.00 0.86 H new ATOM 1326 N TYR B 29 0.142 3.167 6.244 1.00 0.25 N ATOM 1327 CA TYR B 29 -0.035 1.843 6.831 1.00 0.24 C ATOM 1328 C TYR B 29 1.251 1.368 7.494 1.00 0.18 C ATOM 1329 O TYR B 29 1.248 0.975 8.661 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.480 0.834 5.768 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.567 -0.589 6.283 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.399 -0.913 7.346 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.183 -1.606 5.706 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.480 -2.206 7.822 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.107 -2.903 6.176 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.726 -3.198 7.235 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.806 -4.487 7.709 1.00 0.49 O ATOM 0 H TYR B 29 -0.038 3.209 5.241 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.812 1.916 7.592 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.454 1.132 5.381 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.219 0.867 4.932 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.994 -0.139 7.809 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.836 -1.379 4.876 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.132 -2.439 8.651 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.697 -3.682 5.716 1.00 1.25 H new ATOM 0 HH TYR B 29 -1.595 -4.576 8.283 1.00 0.49 H new ATOM 1347 N PHE B 30 2.351 1.422 6.754 1.00 0.16 N ATOM 1348 CA PHE B 30 3.640 0.989 7.279 1.00 0.16 C ATOM 1349 C PHE B 30 4.028 1.805 8.508 1.00 0.18 C ATOM 1350 O PHE B 30 4.518 1.259 9.497 1.00 0.21 O ATOM 1351 CB PHE B 30 4.728 1.106 6.211 1.00 0.19 C ATOM 1352 CG PHE B 30 4.536 0.198 5.030 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.090 -1.104 5.198 1.00 1.20 C ATOM 1354 CD2 PHE B 30 4.811 0.646 3.749 1.00 1.17 C ATOM 1355 CE1 PHE B 30 3.924 -1.938 4.110 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.648 -0.185 2.658 1.00 1.16 C ATOM 1357 CZ PHE B 30 4.203 -1.478 2.841 1.00 0.25 C ATOM 0 H PHE B 30 2.377 1.760 5.792 1.00 0.16 H new ATOM 0 HA PHE B 30 3.546 -0.057 7.570 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.766 2.137 5.859 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.694 0.889 6.668 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.870 -1.470 6.190 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.157 1.658 3.601 1.00 1.17 H new ATOM 0 HE1 PHE B 30 3.576 -2.950 4.253 1.00 1.22 H new ATOM 0 HE2 PHE B 30 4.868 0.176 1.664 1.00 1.16 H new ATOM 0 HZ PHE B 30 4.073 -2.130 1.990 1.00 0.25 H new ATOM 1367 N SER B 31 3.784 3.111 8.450 1.00 0.21 N ATOM 1368 CA SER B 31 4.079 3.991 9.572 1.00 0.26 C ATOM 1369 C SER B 31 3.233 3.625 10.787 1.00 0.25 C ATOM 1370 O SER B 31 3.698 3.704 11.920 1.00 0.27 O ATOM 1371 CB SER B 31 3.847 5.451 9.182 1.00 0.35 C ATOM 1372 OG SER B 31 4.744 5.849 8.157 1.00 1.15 O ATOM 0 H SER B 31 3.383 3.581 7.638 1.00 0.21 H new ATOM 0 HA SER B 31 5.129 3.863 9.836 1.00 0.26 H new ATOM 0 HB2 SER B 31 2.819 5.582 8.843 1.00 0.35 H new ATOM 0 HB3 SER B 31 3.979 6.090 10.055 1.00 0.35 H new ATOM 0 HG SER B 31 4.409 5.537 7.290 1.00 1.15 H new ATOM 1378 N SER B 32 2.000 3.199 10.545 1.00 0.27 N ATOM 1379 CA SER B 32 1.105 2.807 11.623 1.00 0.30 C ATOM 1380 C SER B 32 1.642 1.578 12.355 1.00 0.28 C ATOM 1381 O SER B 32 1.553 1.483 13.578 1.00 0.36 O ATOM 1382 CB SER B 32 -0.294 2.525 11.071 1.00 0.40 C ATOM 1383 OG SER B 32 -0.822 3.665 10.407 1.00 0.99 O ATOM 0 H SER B 32 1.598 3.117 9.611 1.00 0.27 H new ATOM 0 HA SER B 32 1.045 3.630 12.335 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.252 1.684 10.379 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.958 2.235 11.885 1.00 0.40 H new ATOM 0 HG SER B 32 -0.303 3.839 9.594 1.00 0.99 H new ATOM 1389 N ILE B 33 2.224 0.647 11.603 1.00 0.24 N ATOM 1390 CA ILE B 33 2.747 -0.587 12.182 1.00 0.27 C ATOM 1391 C ILE B 33 3.957 -0.306 13.070 1.00 0.26 C ATOM 1392 O ILE B 33 4.074 -0.848 14.175 1.00 0.32 O ATOM 1393 CB ILE B 33 3.165 -1.603 11.097 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.071 -1.769 10.042 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.473 -2.947 11.738 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.478 -2.672 8.896 1.00 0.34 C ATOM 0 H ILE B 33 2.345 0.724 10.593 1.00 0.24 H new ATOM 0 HA ILE B 33 1.938 -1.013 12.776 1.00 0.27 H new ATOM 0 HB ILE B 33 4.058 -1.222 10.602 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.177 -2.175 10.516 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.805 -0.789 9.647 1.00 0.30 H new ATOM 0 HG21 ILE B 33 3.767 -3.659 10.967 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.287 -2.831 12.454 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.586 -3.316 12.253 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.657 -2.747 8.183 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.354 -2.256 8.398 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.716 -3.664 9.281 1.00 0.34 H new ATOM 1403 N VAL B 34 4.855 0.545 12.588 1.00 0.25 N ATOM 1404 CA VAL B 34 6.088 0.841 13.307 1.00 0.31 C ATOM 1405 C VAL B 34 5.838 1.798 14.472 1.00 0.37 C ATOM 1406 O VAL B 34 6.507 1.718 15.501 1.00 0.47 O ATOM 1407 CB VAL B 34 7.176 1.427 12.374 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.480 0.462 11.239 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.763 2.781 11.820 1.00 0.33 C ATOM 0 H VAL B 34 4.753 1.042 11.703 1.00 0.25 H new ATOM 0 HA VAL B 34 6.451 -0.108 13.702 1.00 0.31 H new ATOM 0 HB VAL B 34 8.079 1.570 12.967 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.247 0.890 10.593 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.837 -0.482 11.650 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.574 0.285 10.659 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.550 3.163 11.169 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.840 2.675 11.250 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.603 3.477 12.643 1.00 0.33 H new ATOM 1413 N GLU B 35 4.852 2.674 14.318 1.00 0.35 N ATOM 1414 CA GLU B 35 4.539 3.670 15.335 1.00 0.46 C ATOM 1415 C GLU B 35 4.064 3.007 16.626 1.00 0.51 C ATOM 1416 O GLU B 35 4.397 3.453 17.721 1.00 0.62 O ATOM 1417 CB GLU B 35 3.479 4.637 14.811 1.00 0.51 C ATOM 1418 CG GLU B 35 3.188 5.802 15.740 1.00 0.70 C ATOM 1419 CD GLU B 35 2.205 6.780 15.138 1.00 1.49 C ATOM 1420 OE1 GLU B 35 0.983 6.577 15.299 1.00 2.19 O ATOM 1421 OE2 GLU B 35 2.645 7.752 14.491 1.00 2.22 O ATOM 0 H GLU B 35 4.253 2.714 13.494 1.00 0.35 H new ATOM 0 HA GLU B 35 5.448 4.227 15.560 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.804 5.028 13.847 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.555 4.086 14.636 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.791 5.423 16.682 1.00 0.70 H new ATOM 0 HG3 GLU B 35 4.118 6.321 15.972 1.00 0.70 H new ATOM 1428 N LYS B 36 3.295 1.933 16.491 1.00 0.47 N ATOM 1429 CA LYS B 36 2.803 1.203 17.654 1.00 0.55 C ATOM 1430 C LYS B 36 3.772 0.095 18.060 1.00 0.51 C ATOM 1431 O LYS B 36 3.524 -0.647 19.012 1.00 0.61 O ATOM 1432 CB LYS B 36 1.415 0.617 17.378 1.00 0.67 C ATOM 1433 CG LYS B 36 1.342 -0.212 16.106 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.018 -0.868 15.937 1.00 0.98 C ATOM 1435 CE LYS B 36 -0.155 -1.508 14.564 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.364 -2.365 14.465 1.00 2.08 N ATOM 0 H LYS B 36 3.000 1.550 15.593 1.00 0.47 H new ATOM 0 HA LYS B 36 2.727 1.909 18.481 1.00 0.55 H new ATOM 0 HB2 LYS B 36 1.118 -0.004 18.223 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.693 1.431 17.312 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.548 0.424 15.245 1.00 0.71 H new ATOM 0 HG3 LYS B 36 2.116 -0.980 16.128 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.158 -1.625 16.709 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.803 -0.124 16.074 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.201 -0.728 13.804 1.00 1.42 H new ATOM 0 HE3 LYS B 36 0.731 -2.107 14.353 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.483 -2.685 13.483 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -1.256 -3.191 15.088 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -2.201 -1.820 14.755 1.00 2.08 H new ATOM 1450 N LYS B 37 4.883 0.008 17.322 1.00 0.48 N ATOM 1451 CA LYS B 37 5.925 -0.992 17.557 1.00 0.55 C ATOM 1452 C LYS B 37 5.338 -2.405 17.527 1.00 0.59 C ATOM 1453 O LYS B 37 5.592 -3.221 18.408 1.00 0.76 O ATOM 1454 CB LYS B 37 6.640 -0.723 18.889 1.00 0.72 C ATOM 1455 CG LYS B 37 7.945 -1.490 19.052 1.00 1.19 C ATOM 1456 CD LYS B 37 8.614 -1.177 20.380 1.00 1.42 C ATOM 1457 CE LYS B 37 9.933 -1.920 20.532 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.750 -3.397 20.521 1.00 2.60 N ATOM 0 H LYS B 37 5.084 0.633 16.541 1.00 0.48 H new ATOM 0 HA LYS B 37 6.660 -0.917 16.755 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.844 0.345 18.972 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.971 -0.984 19.709 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.750 -2.560 18.985 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.621 -1.238 18.235 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.790 -0.104 20.456 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.946 -1.449 21.197 1.00 1.42 H new ATOM 0 HE2 LYS B 37 10.605 -1.633 19.724 1.00 1.99 H new ATOM 0 HE3 LYS B 37 10.411 -1.622 21.465 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.636 -3.859 20.811 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 8.991 -3.658 21.182 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.496 -3.708 19.562 1.00 2.60 H new ATOM 1472 N GLU B 38 4.557 -2.687 16.496 1.00 0.54 N ATOM 1473 CA GLU B 38 3.906 -3.983 16.371 1.00 0.69 C ATOM 1474 C GLU B 38 4.772 -4.917 15.538 1.00 0.69 C ATOM 1475 O GLU B 38 4.757 -6.136 15.711 1.00 1.03 O ATOM 1476 CB GLU B 38 2.530 -3.816 15.728 1.00 0.79 C ATOM 1477 CG GLU B 38 1.733 -5.104 15.618 1.00 1.35 C ATOM 1478 CD GLU B 38 0.411 -4.898 14.918 1.00 1.41 C ATOM 1479 OE1 GLU B 38 0.401 -4.826 13.675 1.00 1.86 O ATOM 1480 OE2 GLU B 38 -0.628 -4.784 15.604 1.00 2.11 O ATOM 0 H GLU B 38 4.358 -2.038 15.735 1.00 0.54 H new ATOM 0 HA GLU B 38 3.776 -4.417 17.363 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.955 -3.095 16.309 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.656 -3.394 14.731 1.00 0.79 H new ATOM 0 HG2 GLU B 38 2.318 -5.846 15.075 1.00 1.35 H new ATOM 0 HG3 GLU B 38 1.555 -5.506 16.616 1.00 1.35 H new ATOM 1487 N ILE B 39 5.541 -4.323 14.643 1.00 0.42 N ATOM 1488 CA ILE B 39 6.426 -5.078 13.772 1.00 0.43 C ATOM 1489 C ILE B 39 7.822 -5.151 14.390 1.00 0.48 C ATOM 1490 O ILE B 39 8.215 -4.262 15.149 1.00 0.52 O ATOM 1491 CB ILE B 39 6.490 -4.438 12.365 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.221 -5.351 11.378 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.156 -3.068 12.423 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.149 -4.870 9.945 1.00 0.47 C ATOM 0 H ILE B 39 5.571 -3.314 14.499 1.00 0.42 H new ATOM 0 HA ILE B 39 6.031 -6.088 13.664 1.00 0.43 H new ATOM 0 HB ILE B 39 5.468 -4.307 12.011 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.267 -5.430 11.674 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.796 -6.353 11.439 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.190 -2.637 11.422 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.585 -2.413 13.081 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.171 -3.173 12.807 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.688 -5.564 9.301 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.107 -4.818 9.631 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.600 -3.881 9.870 1.00 0.47 H new ATOM 1501 N SER B 40 8.548 -6.217 14.083 1.00 0.55 N ATOM 1502 CA SER B 40 9.879 -6.429 14.632 1.00 0.62 C ATOM 1503 C SER B 40 10.849 -5.348 14.161 1.00 0.53 C ATOM 1504 O SER B 40 10.652 -4.768 13.090 1.00 0.48 O ATOM 1505 CB SER B 40 10.382 -7.813 14.225 1.00 0.77 C ATOM 1506 OG SER B 40 9.438 -8.811 14.581 1.00 1.82 O ATOM 0 H SER B 40 8.234 -6.954 13.451 1.00 0.55 H new ATOM 0 HA SER B 40 9.822 -6.369 15.719 1.00 0.62 H new ATOM 0 HB2 SER B 40 10.560 -7.840 13.150 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.336 -8.017 14.711 1.00 0.77 H new ATOM 0 HG SER B 40 9.775 -9.691 14.312 1.00 1.82 H new ATOM 1512 N GLU B 41 11.881 -5.079 14.956 1.00 0.59 N ATOM 1513 CA GLU B 41 12.794 -3.965 14.694 1.00 0.60 C ATOM 1514 C GLU B 41 13.337 -3.989 13.267 1.00 0.49 C ATOM 1515 O GLU B 41 13.318 -2.968 12.576 1.00 0.46 O ATOM 1516 CB GLU B 41 13.952 -3.975 15.694 1.00 0.78 C ATOM 1517 CG GLU B 41 13.507 -3.812 17.138 1.00 1.08 C ATOM 1518 CD GLU B 41 14.674 -3.723 18.098 1.00 1.44 C ATOM 1519 OE1 GLU B 41 15.189 -4.779 18.517 1.00 1.99 O ATOM 1520 OE2 GLU B 41 15.089 -2.596 18.435 1.00 2.19 O ATOM 0 H GLU B 41 12.108 -5.619 15.791 1.00 0.59 H new ATOM 0 HA GLU B 41 12.220 -3.046 14.814 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.500 -4.912 15.594 1.00 0.78 H new ATOM 0 HB3 GLU B 41 14.645 -3.172 15.443 1.00 0.78 H new ATOM 0 HG2 GLU B 41 12.898 -2.913 17.228 1.00 1.08 H new ATOM 0 HG3 GLU B 41 12.875 -4.655 17.417 1.00 1.08 H new ATOM 1527 N ASP B 42 13.796 -5.159 12.823 1.00 0.52 N ATOM 1528 CA ASP B 42 14.340 -5.304 11.472 1.00 0.51 C ATOM 1529 C ASP B 42 13.311 -4.904 10.424 1.00 0.43 C ATOM 1530 O ASP B 42 13.624 -4.170 9.488 1.00 0.47 O ATOM 1531 CB ASP B 42 14.797 -6.740 11.216 1.00 0.61 C ATOM 1532 CG ASP B 42 15.346 -6.924 9.814 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.440 -6.393 9.529 1.00 2.29 O ATOM 1534 OD2 ASP B 42 14.687 -7.596 8.992 1.00 2.20 O ATOM 0 H ASP B 42 13.802 -6.016 13.376 1.00 0.52 H new ATOM 0 HA ASP B 42 15.201 -4.640 11.395 1.00 0.51 H new ATOM 0 HB2 ASP B 42 15.563 -7.011 11.943 1.00 0.61 H new ATOM 0 HB3 ASP B 42 13.958 -7.419 11.368 1.00 0.61 H new ATOM 1539 N GLY B 43 12.084 -5.378 10.597 1.00 0.39 N ATOM 1540 CA GLY B 43 11.013 -5.032 9.683 1.00 0.37 C ATOM 1541 C GLY B 43 10.699 -3.550 9.707 1.00 0.34 C ATOM 1542 O GLY B 43 10.430 -2.950 8.668 1.00 0.34 O ATOM 0 H GLY B 43 11.810 -5.999 11.358 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.291 -5.327 8.671 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.118 -5.596 9.944 1.00 0.37 H new ATOM 1546 N ALA B 44 10.748 -2.960 10.896 1.00 0.33 N ATOM 1547 CA ALA B 44 10.501 -1.533 11.058 1.00 0.33 C ATOM 1548 C ALA B 44 11.545 -0.715 10.307 1.00 0.32 C ATOM 1549 O ALA B 44 11.217 0.216 9.570 1.00 0.31 O ATOM 1550 CB ALA B 44 10.497 -1.164 12.535 1.00 0.38 C ATOM 0 H ALA B 44 10.958 -3.451 11.765 1.00 0.33 H new ATOM 0 HA ALA B 44 9.522 -1.303 10.637 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.311 -0.095 12.643 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.713 -1.722 13.047 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.464 -1.410 12.974 1.00 0.38 H new ATOM 1556 N ASP B 45 12.806 -1.084 10.490 1.00 0.36 N ATOM 1557 CA ASP B 45 13.912 -0.419 9.809 1.00 0.38 C ATOM 1558 C ASP B 45 13.853 -0.680 8.307 1.00 0.36 C ATOM 1559 O ASP B 45 14.171 0.193 7.496 1.00 0.37 O ATOM 1560 CB ASP B 45 15.247 -0.907 10.375 1.00 0.48 C ATOM 1561 CG ASP B 45 16.435 -0.299 9.661 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.716 0.898 9.877 1.00 1.84 O ATOM 1563 OD2 ASP B 45 17.090 -1.014 8.876 1.00 1.81 O ATOM 0 H ASP B 45 13.091 -1.844 11.108 1.00 0.36 H new ATOM 0 HA ASP B 45 13.826 0.655 9.977 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.300 -0.662 11.436 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.296 -1.993 10.296 1.00 0.48 H new ATOM 1568 N SER B 46 13.437 -1.887 7.948 1.00 0.37 N ATOM 1569 CA SER B 46 13.300 -2.279 6.554 1.00 0.40 C ATOM 1570 C SER B 46 12.247 -1.410 5.865 1.00 0.36 C ATOM 1571 O SER B 46 12.421 -0.983 4.723 1.00 0.38 O ATOM 1572 CB SER B 46 12.914 -3.760 6.476 1.00 0.50 C ATOM 1573 OG SER B 46 13.187 -4.308 5.201 1.00 0.98 O ATOM 0 H SER B 46 13.186 -2.619 8.613 1.00 0.37 H new ATOM 0 HA SER B 46 14.251 -2.134 6.041 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.460 -4.318 7.236 1.00 0.50 H new ATOM 0 HB3 SER B 46 11.853 -3.871 6.700 1.00 0.50 H new ATOM 0 HG SER B 46 12.930 -5.254 5.189 1.00 0.98 H new ATOM 1579 N LEU B 47 11.167 -1.126 6.584 1.00 0.32 N ATOM 1580 CA LEU B 47 10.101 -0.278 6.065 1.00 0.30 C ATOM 1581 C LEU B 47 10.578 1.156 5.872 1.00 0.27 C ATOM 1582 O LEU B 47 10.051 1.879 5.033 1.00 0.28 O ATOM 1583 CB LEU B 47 8.891 -0.302 7.000 1.00 0.30 C ATOM 1584 CG LEU B 47 8.103 -1.613 7.008 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.987 -1.558 8.041 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.536 -1.896 5.625 1.00 0.41 C ATOM 0 H LEU B 47 11.007 -1.472 7.530 1.00 0.32 H new ATOM 0 HA LEU B 47 9.808 -0.675 5.093 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.231 -0.094 8.015 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.217 0.507 6.718 1.00 0.30 H new ATOM 0 HG LEU B 47 8.780 -2.423 7.278 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.437 -2.499 8.033 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.415 -1.396 9.030 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.309 -0.739 7.801 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.978 -2.832 5.645 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.872 -1.083 5.331 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.352 -1.976 4.907 1.00 0.41 H new ATOM 1598 N ASN B 48 11.583 1.560 6.638 1.00 0.26 N ATOM 1599 CA ASN B 48 12.116 2.915 6.544 1.00 0.26 C ATOM 1600 C ASN B 48 12.806 3.146 5.203 1.00 0.27 C ATOM 1601 O ASN B 48 12.478 4.095 4.488 1.00 0.32 O ATOM 1602 CB ASN B 48 13.085 3.205 7.693 1.00 0.28 C ATOM 1603 CG ASN B 48 12.382 3.425 9.019 1.00 0.33 C ATOM 1604 OD1 ASN B 48 11.222 4.066 8.987 1.00 0.48 O flip ATOM 1605 ND2 ASN B 48 12.891 3.045 10.072 1.00 0.40 N flip ATOM 0 H ASN B 48 12.046 0.971 7.330 1.00 0.26 H new ATOM 0 HA ASN B 48 11.274 3.603 6.619 1.00 0.26 H new ATOM 0 HB2 ASN B 48 13.783 2.373 7.791 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.675 4.089 7.450 1.00 0.28 H new ATOM 0 HD21 ASN B 48 13.785 2.554 10.058 1.00 0.40 H new ATOM 0 HD22 ASN B 48 12.419 3.220 10.959 1.00 0.40 H new ATOM 1612 N VAL B 49 13.747 2.271 4.846 1.00 0.27 N ATOM 1613 CA VAL B 49 14.445 2.404 3.568 1.00 0.29 C ATOM 1614 C VAL B 49 13.461 2.223 2.416 1.00 0.29 C ATOM 1615 O VAL B 49 13.566 2.884 1.381 1.00 0.32 O ATOM 1616 CB VAL B 49 15.629 1.409 3.423 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.156 -0.037 3.445 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.415 1.689 2.147 1.00 0.36 C ATOM 0 H VAL B 49 14.040 1.475 5.413 1.00 0.27 H new ATOM 0 HA VAL B 49 14.870 3.407 3.538 1.00 0.29 H new ATOM 0 HB VAL B 49 16.285 1.557 4.281 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.013 -0.702 3.341 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.651 -0.240 4.390 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.464 -0.206 2.620 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.240 0.981 2.065 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.758 1.582 1.284 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.810 2.704 2.179 1.00 0.36 H new ATOM 1622 N ALA B 50 12.484 1.346 2.618 1.00 0.30 N ATOM 1623 CA ALA B 50 11.440 1.130 1.633 1.00 0.34 C ATOM 1624 C ALA B 50 10.615 2.394 1.445 1.00 0.33 C ATOM 1625 O ALA B 50 10.292 2.776 0.325 1.00 0.37 O ATOM 1626 CB ALA B 50 10.545 -0.023 2.057 1.00 0.37 C ATOM 0 H ALA B 50 12.396 0.774 3.458 1.00 0.30 H new ATOM 0 HA ALA B 50 11.910 0.878 0.682 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.767 -0.174 1.309 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.141 -0.931 2.149 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.085 0.208 3.018 1.00 0.37 H new ATOM 1632 N MET B 51 10.304 3.054 2.552 1.00 0.34 N ATOM 1633 CA MET B 51 9.448 4.231 2.539 1.00 0.39 C ATOM 1634 C MET B 51 10.121 5.399 1.842 1.00 0.31 C ATOM 1635 O MET B 51 9.467 6.178 1.149 1.00 0.30 O ATOM 1636 CB MET B 51 9.069 4.614 3.964 1.00 0.52 C ATOM 1637 CG MET B 51 7.923 5.606 4.043 1.00 0.62 C ATOM 1638 SD MET B 51 7.064 5.523 5.621 1.00 0.65 S ATOM 1639 CE MET B 51 6.773 3.757 5.723 1.00 0.41 C ATOM 0 H MET B 51 10.636 2.790 3.480 1.00 0.34 H new ATOM 0 HA MET B 51 8.545 3.986 1.980 1.00 0.39 H new ATOM 0 HB2 MET B 51 8.797 3.713 4.513 1.00 0.52 H new ATOM 0 HB3 MET B 51 9.941 5.039 4.461 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.307 6.615 3.892 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.217 5.409 3.236 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.003 3.558 6.468 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.444 3.386 4.752 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.695 3.252 6.011 1.00 0.41 H new ATOM 1649 N ASP B 52 11.429 5.525 2.026 1.00 0.31 N ATOM 1650 CA ASP B 52 12.189 6.561 1.339 1.00 0.32 C ATOM 1651 C ASP B 52 12.156 6.317 -0.163 1.00 0.28 C ATOM 1652 O ASP B 52 12.132 7.251 -0.963 1.00 0.30 O ATOM 1653 CB ASP B 52 13.635 6.602 1.832 1.00 0.42 C ATOM 1654 CG ASP B 52 14.431 7.713 1.175 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.178 8.896 1.485 1.00 1.99 O ATOM 1656 OD2 ASP B 52 15.321 7.411 0.355 1.00 1.84 O ATOM 0 H ASP B 52 11.982 4.928 2.640 1.00 0.31 H new ATOM 0 HA ASP B 52 11.729 7.525 1.559 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.645 6.740 2.913 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.114 5.644 1.629 1.00 0.42 H new ATOM 1661 N CYS B 53 12.134 5.046 -0.535 1.00 0.27 N ATOM 1662 CA CYS B 53 12.026 4.659 -1.929 1.00 0.27 C ATOM 1663 C CYS B 53 10.616 4.934 -2.453 1.00 0.28 C ATOM 1664 O CYS B 53 10.449 5.509 -3.526 1.00 0.36 O ATOM 1665 CB CYS B 53 12.380 3.181 -2.087 1.00 0.36 C ATOM 1666 SG CYS B 53 14.048 2.766 -1.524 1.00 1.05 S ATOM 0 H CYS B 53 12.190 4.262 0.116 1.00 0.27 H new ATOM 0 HA CYS B 53 12.728 5.252 -2.515 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.659 2.583 -1.530 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.281 2.903 -3.136 1.00 0.36 H new ATOM 0 HG CYS B 53 14.123 2.924 -0.236 1.00 1.05 H new ATOM 1672 N ILE B 54 9.606 4.541 -1.672 1.00 0.26 N ATOM 1673 CA ILE B 54 8.208 4.782 -2.033 1.00 0.29 C ATOM 1674 C ILE B 54 7.968 6.270 -2.274 1.00 0.30 C ATOM 1675 O ILE B 54 7.479 6.671 -3.328 1.00 0.33 O ATOM 1676 CB ILE B 54 7.227 4.310 -0.928 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.437 2.829 -0.596 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.785 4.551 -1.361 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.621 2.348 0.592 1.00 0.33 C ATOM 0 H ILE B 54 9.732 4.054 -0.785 1.00 0.26 H new ATOM 0 HA ILE B 54 8.021 4.209 -2.941 1.00 0.29 H new ATOM 0 HB ILE B 54 7.430 4.892 -0.029 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.179 2.230 -1.469 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.494 2.658 -0.393 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.108 4.215 -0.575 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.632 5.615 -1.541 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.582 3.996 -2.277 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.821 1.291 0.767 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.895 2.921 1.478 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.560 2.487 0.385 1.00 0.33 H new ATOM 1686 N SER B 55 8.339 7.079 -1.293 1.00 0.30 N ATOM 1687 CA SER B 55 8.110 8.515 -1.351 1.00 0.36 C ATOM 1688 C SER B 55 8.814 9.149 -2.552 1.00 0.38 C ATOM 1689 O SER B 55 8.212 9.925 -3.295 1.00 0.41 O ATOM 1690 CB SER B 55 8.575 9.165 -0.044 1.00 0.40 C ATOM 1691 OG SER B 55 9.877 8.728 0.312 1.00 0.80 O ATOM 0 H SER B 55 8.803 6.763 -0.442 1.00 0.30 H new ATOM 0 HA SER B 55 7.041 8.687 -1.476 1.00 0.36 H new ATOM 0 HB2 SER B 55 8.570 10.250 -0.152 1.00 0.40 H new ATOM 0 HB3 SER B 55 7.875 8.921 0.755 1.00 0.40 H new ATOM 0 HG SER B 55 9.821 7.847 0.737 1.00 0.80 H new ATOM 1697 N GLU B 56 10.078 8.793 -2.753 1.00 0.39 N ATOM 1698 CA GLU B 56 10.873 9.367 -3.833 1.00 0.48 C ATOM 1699 C GLU B 56 10.354 8.919 -5.198 1.00 0.42 C ATOM 1700 O GLU B 56 10.413 9.669 -6.172 1.00 0.45 O ATOM 1701 CB GLU B 56 12.342 8.970 -3.672 1.00 0.59 C ATOM 1702 CG GLU B 56 13.282 9.728 -4.592 1.00 0.82 C ATOM 1703 CD GLU B 56 13.251 11.221 -4.346 1.00 1.81 C ATOM 1704 OE1 GLU B 56 13.980 11.693 -3.450 1.00 2.66 O ATOM 1705 OE2 GLU B 56 12.498 11.931 -5.043 1.00 2.38 O ATOM 0 H GLU B 56 10.575 8.109 -2.182 1.00 0.39 H new ATOM 0 HA GLU B 56 10.787 10.452 -3.778 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.644 9.139 -2.638 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.444 7.902 -3.863 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.298 9.360 -4.451 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.011 9.528 -5.629 1.00 0.82 H new ATOM 1712 N ALA B 57 9.834 7.698 -5.259 1.00 0.38 N ATOM 1713 CA ALA B 57 9.314 7.143 -6.504 1.00 0.39 C ATOM 1714 C ALA B 57 8.107 7.932 -7.006 1.00 0.33 C ATOM 1715 O ALA B 57 7.918 8.092 -8.210 1.00 0.38 O ATOM 1716 CB ALA B 57 8.949 5.678 -6.318 1.00 0.41 C ATOM 0 H ALA B 57 9.761 7.071 -4.458 1.00 0.38 H new ATOM 0 HA ALA B 57 10.098 7.220 -7.257 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.562 5.278 -7.255 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.835 5.117 -6.022 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.187 5.588 -5.544 1.00 0.41 H new ATOM 1722 N PHE B 58 7.293 8.419 -6.079 1.00 0.28 N ATOM 1723 CA PHE B 58 6.102 9.182 -6.438 1.00 0.27 C ATOM 1724 C PHE B 58 6.385 10.683 -6.422 1.00 0.30 C ATOM 1725 O PHE B 58 5.657 11.472 -7.027 1.00 0.38 O ATOM 1726 CB PHE B 58 4.947 8.848 -5.493 1.00 0.27 C ATOM 1727 CG PHE B 58 4.421 7.447 -5.649 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.123 6.365 -5.142 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.221 7.211 -6.302 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.641 5.079 -5.282 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.734 5.925 -6.445 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.444 4.859 -5.934 1.00 0.29 C ATOM 0 H PHE B 58 7.434 8.301 -5.076 1.00 0.28 H new ATOM 0 HA PHE B 58 5.817 8.902 -7.452 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.279 8.989 -4.464 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.134 9.553 -5.665 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.060 6.530 -4.630 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.660 8.042 -6.704 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.200 4.246 -4.882 1.00 1.22 H new ATOM 0 HE2 PHE B 58 1.798 5.755 -6.957 1.00 1.21 H new ATOM 0 HZ PHE B 58 3.064 3.854 -6.044 1.00 0.29 H new ATOM 1742 N GLY B 59 7.437 11.074 -5.716 1.00 0.33 N ATOM 1743 CA GLY B 59 7.879 12.455 -5.746 1.00 0.38 C ATOM 1744 C GLY B 59 7.449 13.257 -4.533 1.00 0.37 C ATOM 1745 O GLY B 59 6.997 14.393 -4.667 1.00 0.42 O ATOM 0 H GLY B 59 7.993 10.459 -5.122 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.966 12.478 -5.820 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.489 12.933 -6.644 1.00 0.38 H new ATOM 1749 N PHE B 60 7.584 12.675 -3.351 1.00 0.35 N ATOM 1750 CA PHE B 60 7.291 13.389 -2.115 1.00 0.39 C ATOM 1751 C PHE B 60 8.163 12.852 -0.985 1.00 0.39 C ATOM 1752 O PHE B 60 8.986 11.965 -1.206 1.00 0.42 O ATOM 1753 CB PHE B 60 5.797 13.283 -1.754 1.00 0.40 C ATOM 1754 CG PHE B 60 5.288 11.881 -1.526 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.389 11.284 -0.278 1.00 1.21 C ATOM 1756 CD2 PHE B 60 4.687 11.171 -2.552 1.00 1.19 C ATOM 1757 CE1 PHE B 60 4.906 10.008 -0.060 1.00 1.19 C ATOM 1758 CE2 PHE B 60 4.203 9.892 -2.339 1.00 1.23 C ATOM 1759 CZ PHE B 60 4.313 9.312 -1.091 1.00 0.33 C ATOM 0 H PHE B 60 7.894 11.712 -3.220 1.00 0.35 H new ATOM 0 HA PHE B 60 7.519 14.445 -2.262 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.615 13.869 -0.853 1.00 0.40 H new ATOM 0 HB3 PHE B 60 5.213 13.738 -2.554 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.852 11.824 0.535 1.00 1.21 H new ATOM 0 HD2 PHE B 60 4.595 11.621 -3.530 1.00 1.19 H new ATOM 0 HE1 PHE B 60 4.993 9.557 0.917 1.00 1.19 H new ATOM 0 HE2 PHE B 60 3.739 9.348 -3.149 1.00 1.23 H new ATOM 0 HZ PHE B 60 3.935 8.314 -0.923 1.00 0.33 H new ATOM 1769 N GLU B 61 8.004 13.409 0.207 1.00 0.47 N ATOM 1770 CA GLU B 61 8.732 12.932 1.376 1.00 0.55 C ATOM 1771 C GLU B 61 7.763 12.388 2.420 1.00 0.50 C ATOM 1772 O GLU B 61 6.554 12.577 2.295 1.00 0.47 O ATOM 1773 CB GLU B 61 9.584 14.044 1.983 1.00 0.70 C ATOM 1774 CG GLU B 61 10.646 14.587 1.044 1.00 0.80 C ATOM 1775 CD GLU B 61 11.557 15.582 1.725 1.00 1.48 C ATOM 1776 OE1 GLU B 61 11.185 16.768 1.829 1.00 2.06 O ATOM 1777 OE2 GLU B 61 12.654 15.181 2.177 1.00 2.33 O ATOM 0 H GLU B 61 7.377 14.192 0.391 1.00 0.47 H new ATOM 0 HA GLU B 61 9.395 12.129 1.054 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.932 14.862 2.290 1.00 0.70 H new ATOM 0 HB3 GLU B 61 10.068 13.667 2.884 1.00 0.70 H new ATOM 0 HG2 GLU B 61 11.240 13.761 0.654 1.00 0.80 H new ATOM 0 HG3 GLU B 61 10.164 15.064 0.190 1.00 0.80 H new ATOM 1784 N ARG B 62 8.281 11.730 3.448 1.00 0.53 N ATOM 1785 CA ARG B 62 7.428 11.071 4.433 1.00 0.53 C ATOM 1786 C ARG B 62 6.517 12.065 5.146 1.00 0.52 C ATOM 1787 O ARG B 62 5.326 11.819 5.287 1.00 0.64 O ATOM 1788 CB ARG B 62 8.264 10.298 5.454 1.00 0.62 C ATOM 1789 CG ARG B 62 7.428 9.387 6.337 1.00 1.40 C ATOM 1790 CD ARG B 62 8.280 8.624 7.334 1.00 1.46 C ATOM 1791 NE ARG B 62 7.482 7.676 8.108 1.00 2.25 N ATOM 1792 CZ ARG B 62 7.878 7.119 9.250 1.00 2.60 C ATOM 1793 NH1 ARG B 62 9.075 7.395 9.752 1.00 2.13 N ATOM 1794 NH2 ARG B 62 7.075 6.276 9.884 1.00 3.67 N ATOM 0 H ARG B 62 9.282 11.637 3.623 1.00 0.53 H new ATOM 0 HA ARG B 62 6.799 10.366 3.890 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.009 9.701 4.928 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.807 11.005 6.081 1.00 0.62 H new ATOM 0 HG2 ARG B 62 6.687 9.981 6.873 1.00 1.40 H new ATOM 0 HG3 ARG B 62 6.880 8.681 5.713 1.00 1.40 H new ATOM 0 HD2 ARG B 62 9.069 8.090 6.805 1.00 1.46 H new ATOM 0 HD3 ARG B 62 8.768 9.327 8.010 1.00 1.46 H new ATOM 0 HE ARG B 62 6.561 7.425 7.750 1.00 2.25 H new ATOM 0 HH11 ARG B 62 9.698 8.037 9.262 1.00 2.13 H new ATOM 0 HH12 ARG B 62 9.372 6.965 10.628 1.00 2.13 H new ATOM 0 HH21 ARG B 62 6.157 6.056 9.496 1.00 3.67 H new ATOM 0 HH22 ARG B 62 7.375 5.847 10.759 1.00 3.67 H new ATOM 1808 N GLU B 63 7.058 13.199 5.568 1.00 0.57 N ATOM 1809 CA GLU B 63 6.267 14.187 6.302 1.00 0.63 C ATOM 1810 C GLU B 63 5.207 14.841 5.411 1.00 0.62 C ATOM 1811 O GLU B 63 4.327 15.552 5.899 1.00 0.74 O ATOM 1812 CB GLU B 63 7.176 15.254 6.910 1.00 0.73 C ATOM 1813 CG GLU B 63 8.093 14.719 7.997 1.00 1.69 C ATOM 1814 CD GLU B 63 7.329 14.171 9.184 1.00 2.52 C ATOM 1815 OE1 GLU B 63 7.006 14.955 10.101 1.00 3.12 O ATOM 1816 OE2 GLU B 63 7.051 12.955 9.216 1.00 3.19 O ATOM 0 H GLU B 63 8.033 13.460 5.418 1.00 0.57 H new ATOM 0 HA GLU B 63 5.749 13.661 7.104 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.782 15.697 6.120 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.560 16.052 7.325 1.00 0.73 H new ATOM 0 HG2 GLU B 63 8.724 13.933 7.581 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.756 15.516 8.333 1.00 1.69 H new ATOM 1823 N ALA B 64 5.278 14.582 4.112 1.00 0.55 N ATOM 1824 CA ALA B 64 4.327 15.151 3.169 1.00 0.59 C ATOM 1825 C ALA B 64 3.036 14.337 3.120 1.00 0.53 C ATOM 1826 O ALA B 64 2.025 14.804 2.596 1.00 0.56 O ATOM 1827 CB ALA B 64 4.944 15.249 1.782 1.00 0.66 C ATOM 0 H ALA B 64 5.985 13.981 3.688 1.00 0.55 H new ATOM 0 HA ALA B 64 4.078 16.154 3.514 1.00 0.59 H new ATOM 0 HB1 ALA B 64 4.218 15.677 1.090 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.827 15.886 1.821 1.00 0.66 H new ATOM 0 HB3 ALA B 64 5.229 14.254 1.439 1.00 0.66 H new ATOM 1833 N VAL B 65 3.064 13.124 3.678 1.00 0.50 N ATOM 1834 CA VAL B 65 1.884 12.257 3.666 1.00 0.46 C ATOM 1835 C VAL B 65 0.715 12.918 4.394 1.00 0.52 C ATOM 1836 O VAL B 65 -0.439 12.788 3.984 1.00 0.53 O ATOM 1837 CB VAL B 65 2.171 10.858 4.280 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.621 10.955 5.726 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.953 9.961 4.178 1.00 0.50 C ATOM 0 H VAL B 65 3.881 12.724 4.139 1.00 0.50 H new ATOM 0 HA VAL B 65 1.616 12.109 2.620 1.00 0.46 H new ATOM 0 HB VAL B 65 2.985 10.420 3.702 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.811 9.955 6.116 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.535 11.546 5.784 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.841 11.434 6.318 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.180 8.988 4.615 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.121 10.415 4.716 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.681 9.834 3.130 1.00 0.50 H new ATOM 1843 N SER B 66 1.026 13.660 5.450 1.00 0.62 N ATOM 1844 CA SER B 66 0.016 14.362 6.225 1.00 0.74 C ATOM 1845 C SER B 66 -0.705 15.395 5.360 1.00 0.75 C ATOM 1846 O SER B 66 -1.907 15.621 5.511 1.00 0.83 O ATOM 1847 CB SER B 66 0.674 15.042 7.425 1.00 0.88 C ATOM 1848 OG SER B 66 1.525 14.137 8.112 1.00 1.63 O ATOM 0 H SER B 66 1.979 13.790 5.790 1.00 0.62 H new ATOM 0 HA SER B 66 -0.722 13.642 6.579 1.00 0.74 H new ATOM 0 HB2 SER B 66 1.249 15.905 7.090 1.00 0.88 H new ATOM 0 HB3 SER B 66 -0.093 15.414 8.104 1.00 0.88 H new ATOM 0 HG SER B 66 1.938 14.592 8.876 1.00 1.63 H new ATOM 1854 N GLY B 67 0.038 16.009 4.445 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.539 16.979 3.538 1.00 0.74 C ATOM 1856 C GLY B 67 -1.332 16.321 2.435 1.00 0.69 C ATOM 1857 O GLY B 67 -2.410 16.790 2.069 1.00 0.74 O ATOM 0 H GLY B 67 1.037 15.849 4.317 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.186 17.656 4.095 1.00 0.74 H new ATOM 0 HA3 GLY B 67 0.255 17.584 3.102 1.00 0.74 H new ATOM 1861 N ILE B 68 -0.804 15.224 1.904 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.495 14.478 0.863 1.00 0.58 C ATOM 1863 C ILE B 68 -2.832 13.961 1.382 1.00 0.62 C ATOM 1864 O ILE B 68 -3.857 14.101 0.722 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.654 13.291 0.345 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.721 13.776 -0.122 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.383 12.585 -0.793 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.634 12.663 -0.588 1.00 0.45 C ATOM 0 H ILE B 68 0.098 14.834 2.177 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.659 15.164 0.032 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.512 12.582 1.161 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.588 14.489 -0.936 1.00 0.49 H new ATOM 0 HG13 ILE B 68 1.204 14.312 0.695 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.779 11.750 -1.149 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.342 12.212 -0.435 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.549 13.287 -1.610 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.589 13.084 -0.903 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.799 11.961 0.230 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.173 12.141 -1.427 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.824 13.402 2.589 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.041 12.864 3.195 1.00 0.66 C ATOM 1877 C LEU B 69 -4.980 13.980 3.649 1.00 0.84 C ATOM 1878 O LEU B 69 -6.061 13.720 4.172 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.694 11.949 4.371 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.916 10.684 3.997 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.616 9.851 5.233 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.693 9.863 2.978 1.00 0.45 C ATOM 0 H LEU B 69 -1.989 13.309 3.168 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.560 12.280 2.435 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.109 12.517 5.094 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.618 11.656 4.869 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.969 10.985 3.550 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.063 8.957 4.944 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.019 10.438 5.931 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.551 9.560 5.711 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.126 8.968 2.723 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.655 9.575 3.401 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.855 10.458 2.079 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.559 15.221 3.450 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.412 16.349 3.752 1.00 0.93 C ATOM 1896 C GLY B 70 -6.105 16.875 2.511 1.00 0.98 C ATOM 1897 O GLY B 70 -7.183 17.466 2.592 1.00 1.24 O ATOM 0 H GLY B 70 -3.639 15.466 3.084 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.159 16.053 4.489 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -4.818 17.144 4.202 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.489 16.644 1.361 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.011 17.137 0.092 1.00 0.97 C ATOM 1903 C LYS B 71 -6.701 16.018 -0.688 1.00 0.98 C ATOM 1904 O LYS B 71 -7.576 16.270 -1.520 1.00 1.25 O ATOM 1905 CB LYS B 71 -4.866 17.730 -0.735 1.00 1.11 C ATOM 1906 CG LYS B 71 -5.312 18.402 -2.022 1.00 1.68 C ATOM 1907 CD LYS B 71 -4.134 19.004 -2.769 1.00 2.11 C ATOM 1908 CE LYS B 71 -4.585 19.760 -4.007 1.00 2.60 C ATOM 1909 NZ LYS B 71 -5.505 20.880 -3.674 1.00 3.15 N ATOM 0 H LYS B 71 -4.621 16.115 1.279 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.752 17.910 0.296 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.331 18.457 -0.125 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -4.159 16.937 -0.978 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.815 17.675 -2.659 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -6.038 19.183 -1.794 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -3.590 19.679 -2.108 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -3.442 18.213 -3.057 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -3.713 20.151 -4.530 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -5.084 19.072 -4.690 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -5.587 21.517 -4.492 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -6.443 20.500 -3.436 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -5.129 21.408 -2.861 1.00 3.15 H new ATOM 1923 N SER B 72 -6.304 14.786 -0.410 1.00 0.91 N ATOM 1924 CA SER B 72 -6.852 13.623 -1.094 1.00 1.08 C ATOM 1925 C SER B 72 -8.258 13.302 -0.598 1.00 1.03 C ATOM 1926 O SER B 72 -8.749 13.906 0.359 1.00 1.20 O ATOM 1927 CB SER B 72 -5.936 12.421 -0.870 1.00 1.29 C ATOM 1928 OG SER B 72 -5.738 12.184 0.510 1.00 2.02 O ATOM 0 H SER B 72 -5.597 14.564 0.291 1.00 0.91 H new ATOM 0 HA SER B 72 -6.913 13.848 -2.159 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.371 11.536 -1.336 1.00 1.29 H new ATOM 0 HB3 SER B 72 -4.975 12.596 -1.354 1.00 1.29 H new ATOM 0 HG SER B 72 -5.137 12.866 0.876 1.00 2.02 H new ATOM 1934 N GLU B 73 -8.894 12.338 -1.249 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.247 11.935 -0.893 1.00 1.30 C ATOM 1936 C GLU B 73 -10.223 10.807 0.134 1.00 1.26 C ATOM 1937 O GLU B 73 -11.237 10.158 0.389 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.012 11.493 -2.135 1.00 1.67 C ATOM 1939 CG GLU B 73 -10.385 10.303 -2.827 1.00 1.87 C ATOM 1940 CD GLU B 73 -11.127 9.896 -4.078 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.346 10.167 -4.167 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -10.504 9.292 -4.974 1.00 2.64 O ATOM 0 H GLU B 73 -8.492 11.819 -2.030 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.753 12.794 -0.452 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -12.036 11.245 -1.854 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.067 12.326 -2.836 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -9.352 10.540 -3.083 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -10.357 9.460 -2.136 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.056 10.578 0.716 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.891 9.532 1.713 1.00 1.02 C ATOM 1951 C PHE B 74 -8.532 10.151 3.055 1.00 1.07 C ATOM 1952 O PHE B 74 -7.591 9.727 3.724 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.809 8.545 1.276 1.00 0.94 C ATOM 1954 CG PHE B 74 -8.066 7.928 -0.069 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.967 6.886 -0.208 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -7.402 8.391 -1.192 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -9.200 6.315 -1.444 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.632 7.825 -2.431 1.00 1.25 C ATOM 1959 CZ PHE B 74 -8.533 6.786 -2.557 1.00 1.19 C ATOM 0 H PHE B 74 -8.206 11.105 0.514 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.831 8.989 1.814 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.848 9.059 1.253 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.729 7.753 2.021 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.493 6.516 0.659 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.697 9.203 -1.098 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.903 5.501 -1.539 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -7.108 8.195 -3.300 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.715 6.343 -3.525 1.00 1.19 H new ATOM 1969 N LYS B 75 -9.290 11.169 3.432 1.00 1.12 N ATOM 1970 CA LYS B 75 -9.061 11.875 4.684 1.00 1.23 C ATOM 1971 C LYS B 75 -9.593 11.061 5.859 1.00 1.54 C ATOM 1972 O LYS B 75 -9.148 11.224 6.996 1.00 2.04 O ATOM 1973 CB LYS B 75 -9.736 13.247 4.644 1.00 1.42 C ATOM 1974 CG LYS B 75 -9.188 14.172 3.569 1.00 1.46 C ATOM 1975 CD LYS B 75 -10.030 15.433 3.430 1.00 1.65 C ATOM 1976 CE LYS B 75 -9.991 16.294 4.686 1.00 2.27 C ATOM 1977 NZ LYS B 75 -8.630 16.827 4.958 1.00 2.85 N ATOM 0 H LYS B 75 -10.074 11.527 2.886 1.00 1.12 H new ATOM 0 HA LYS B 75 -7.988 12.013 4.815 1.00 1.23 H new ATOM 0 HB2 LYS B 75 -10.805 13.110 4.482 1.00 1.42 H new ATOM 0 HB3 LYS B 75 -9.620 13.727 5.616 1.00 1.42 H new ATOM 0 HG2 LYS B 75 -8.161 14.445 3.812 1.00 1.46 H new ATOM 0 HG3 LYS B 75 -9.160 13.646 2.615 1.00 1.46 H new ATOM 0 HD2 LYS B 75 -9.671 16.015 2.581 1.00 1.65 H new ATOM 0 HD3 LYS B 75 -11.062 15.156 3.213 1.00 1.65 H new ATOM 0 HE2 LYS B 75 -10.690 17.124 4.578 1.00 2.27 H new ATOM 0 HE3 LYS B 75 -10.326 15.704 5.539 1.00 2.27 H new ATOM 0 HZ1 LYS B 75 -8.705 17.700 5.519 1.00 2.85 H new ATOM 0 HZ2 LYS B 75 -8.080 16.121 5.488 1.00 2.85 H new ATOM 0 HZ3 LYS B 75 -8.152 17.034 4.058 1.00 2.85 H new ATOM 1991 N GLY B 76 -10.542 10.182 5.572 1.00 1.89 N ATOM 1992 CA GLY B 76 -11.114 9.339 6.601 1.00 2.41 C ATOM 1993 C GLY B 76 -10.792 7.880 6.372 1.00 1.95 C ATOM 1994 O GLY B 76 -10.942 7.386 5.253 1.00 2.43 O ATOM 0 H GLY B 76 -10.928 10.037 4.639 1.00 1.89 H new ATOM 0 HA2 GLY B 76 -10.735 9.647 7.576 1.00 2.41 H new ATOM 0 HA3 GLY B 76 -12.195 9.474 6.622 1.00 2.41 H new ATOM 1998 N GLN B 77 -10.355 7.203 7.437 1.00 1.50 N ATOM 1999 CA GLN B 77 -9.948 5.794 7.387 1.00 1.32 C ATOM 2000 C GLN B 77 -8.611 5.631 6.671 1.00 1.10 C ATOM 2001 O GLN B 77 -8.371 6.215 5.614 1.00 1.50 O ATOM 2002 CB GLN B 77 -11.019 4.912 6.732 1.00 1.56 C ATOM 2003 CG GLN B 77 -12.239 4.686 7.609 1.00 2.02 C ATOM 2004 CD GLN B 77 -13.240 3.732 6.987 1.00 2.54 C ATOM 2005 OE1 GLN B 77 -14.142 4.145 6.263 1.00 2.88 O ATOM 2006 NE2 GLN B 77 -13.100 2.449 7.278 1.00 3.28 N ATOM 0 H GLN B 77 -10.273 7.619 8.365 1.00 1.50 H new ATOM 0 HA GLN B 77 -9.830 5.461 8.418 1.00 1.32 H new ATOM 0 HB2 GLN B 77 -11.335 5.373 5.796 1.00 1.56 H new ATOM 0 HB3 GLN B 77 -10.579 3.947 6.480 1.00 1.56 H new ATOM 0 HG2 GLN B 77 -11.920 4.292 8.574 1.00 2.02 H new ATOM 0 HG3 GLN B 77 -12.726 5.642 7.800 1.00 2.02 H new ATOM 0 HE21 GLN B 77 -12.338 2.144 7.883 1.00 3.28 H new ATOM 0 HE22 GLN B 77 -13.754 1.765 6.897 1.00 3.28 H new ATOM 2015 N HIS B 78 -7.736 4.835 7.267 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.415 4.592 6.709 1.00 0.85 C ATOM 2017 C HIS B 78 -6.502 3.477 5.676 1.00 0.69 C ATOM 2018 O HIS B 78 -7.590 2.959 5.420 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.429 4.206 7.815 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.455 5.119 9.005 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -6.281 4.908 10.086 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -4.744 6.234 9.293 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -6.082 5.854 10.982 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -5.152 6.672 10.527 1.00 1.85 N ATOM 0 H HIS B 78 -7.919 4.344 8.142 1.00 0.88 H new ATOM 0 HA HIS B 78 -6.056 5.504 6.232 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -5.649 3.191 8.145 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.421 4.195 7.401 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -6.944 4.139 10.179 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -3.994 6.694 8.667 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -6.594 5.944 11.929 1.00 1.95 H new ATOM 2033 N LEU B 79 -5.366 3.090 5.106 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.348 2.082 4.047 1.00 0.46 C ATOM 2035 C LEU B 79 -6.033 0.795 4.493 1.00 0.44 C ATOM 2036 O LEU B 79 -6.957 0.314 3.842 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.915 1.763 3.618 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.806 0.838 2.403 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.378 1.513 1.167 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.364 0.426 2.167 1.00 0.41 C ATOM 0 H LEU B 79 -4.448 3.456 5.357 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.894 2.499 3.201 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.400 2.697 3.395 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.392 1.303 4.457 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.388 -0.061 2.606 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.292 0.841 0.313 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.428 1.753 1.336 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.825 2.430 0.964 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.311 -0.231 1.299 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.757 1.313 1.988 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.988 -0.101 3.044 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.587 0.251 5.615 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.111 -1.012 6.108 1.00 0.54 C ATOM 2054 C ALA B 80 -7.573 -0.886 6.513 1.00 0.58 C ATOM 2055 O ALA B 80 -8.332 -1.842 6.402 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.275 -1.516 7.266 1.00 0.63 C ATOM 0 H ALA B 80 -4.863 0.665 6.201 1.00 0.50 H new ATOM 0 HA ALA B 80 -6.055 -1.738 5.297 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.681 -2.462 7.623 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.247 -1.664 6.935 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.294 -0.785 8.074 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.964 0.297 6.974 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.363 0.561 7.309 1.00 0.70 C ATOM 2064 C ASP B 81 -10.209 0.497 6.045 1.00 0.60 C ATOM 2065 O ASP B 81 -11.293 -0.086 6.027 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.529 1.936 7.964 1.00 0.78 C ATOM 2067 CG ASP B 81 -8.826 2.059 9.299 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -9.215 1.354 10.254 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -7.897 2.884 9.411 1.00 2.30 O ATOM 0 H ASP B 81 -7.337 1.087 7.125 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.692 -0.198 8.019 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.144 2.700 7.288 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.591 2.138 8.102 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.684 1.106 4.991 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.308 1.076 3.677 1.00 0.44 C ATOM 2076 C ILE B 82 -10.439 -0.357 3.170 1.00 0.48 C ATOM 2077 O ILE B 82 -11.518 -0.784 2.758 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.482 1.914 2.677 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.644 3.404 2.985 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.876 1.606 1.240 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.752 4.297 2.154 1.00 0.61 C ATOM 0 H ILE B 82 -8.813 1.635 5.024 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.307 1.504 3.764 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.431 1.647 2.789 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.683 3.689 2.820 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.430 3.573 4.040 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.277 2.212 0.561 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.702 0.550 1.034 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.932 1.835 1.095 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.923 5.338 2.428 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.709 4.040 2.336 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.981 4.158 1.097 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.340 -1.097 3.223 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.327 -2.490 2.785 1.00 0.52 C ATOM 2090 C LEU B 83 -10.247 -3.344 3.651 1.00 0.69 C ATOM 2091 O LEU B 83 -10.875 -4.277 3.167 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.904 -3.054 2.815 1.00 0.47 C ATOM 2093 CG LEU B 83 -7.065 -2.817 1.554 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.933 -1.334 1.240 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.692 -3.443 1.719 1.00 0.43 C ATOM 0 H LEU B 83 -8.442 -0.756 3.566 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.694 -2.520 1.759 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.379 -2.618 3.665 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.963 -4.128 2.993 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.578 -3.288 0.716 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.332 -1.205 0.340 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.923 -0.906 1.080 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.450 -0.827 2.075 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -5.103 -3.270 0.819 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.188 -2.994 2.575 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.798 -4.515 1.882 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.333 -3.007 4.931 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.193 -3.731 5.863 1.00 0.94 C ATOM 2109 C ASN B 84 -12.665 -3.462 5.553 1.00 0.97 C ATOM 2110 O ASN B 84 -13.550 -4.201 5.980 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.868 -3.325 7.304 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.579 -4.178 8.339 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.682 -3.853 8.780 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -10.947 -5.269 8.741 1.00 1.79 N ATOM 0 H ASN B 84 -9.816 -2.234 5.351 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.008 -4.799 5.750 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.792 -3.396 7.461 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.143 -2.281 7.452 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -11.373 -5.876 9.441 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -10.034 -5.503 8.350 1.00 1.79 H new ATOM 2121 N SER B 85 -12.916 -2.405 4.795 1.00 0.87 N ATOM 2122 CA SER B 85 -14.268 -2.048 4.402 1.00 0.93 C ATOM 2123 C SER B 85 -14.639 -2.708 3.071 1.00 0.91 C ATOM 2124 O SER B 85 -15.788 -2.645 2.635 1.00 1.01 O ATOM 2125 CB SER B 85 -14.393 -0.526 4.288 1.00 0.97 C ATOM 2126 OG SER B 85 -14.009 0.111 5.498 1.00 1.50 O ATOM 0 H SER B 85 -12.195 -1.777 4.439 1.00 0.87 H new ATOM 0 HA SER B 85 -14.957 -2.408 5.166 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.768 -0.167 3.470 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.421 -0.260 4.044 1.00 0.97 H new ATOM 0 HG SER B 85 -13.044 0.006 5.631 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.664 -3.350 2.436 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.881 -3.975 1.139 1.00 0.95 C ATOM 2134 C ALA B 86 -13.545 -5.462 1.182 1.00 1.14 C ATOM 2135 O ALA B 86 -12.819 -5.917 2.066 1.00 1.70 O ATOM 2136 CB ALA B 86 -13.051 -3.274 0.073 1.00 1.09 C ATOM 0 H ALA B 86 -12.716 -3.450 2.800 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.937 -3.877 0.887 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -13.222 -3.750 -0.893 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -13.342 -2.225 0.017 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.994 -3.344 0.330 1.00 1.09 H new ATOM 2142 N SER B 87 -14.089 -6.212 0.233 1.00 1.42 N ATOM 2143 CA SER B 87 -13.825 -7.641 0.130 1.00 1.71 C ATOM 2144 C SER B 87 -14.416 -8.179 -1.172 1.00 1.54 C ATOM 2145 O SER B 87 -15.537 -7.820 -1.540 1.00 1.80 O ATOM 2146 CB SER B 87 -14.428 -8.379 1.333 1.00 2.36 C ATOM 2147 OG SER B 87 -13.979 -9.721 1.403 1.00 3.09 O ATOM 0 H SER B 87 -14.721 -5.851 -0.482 1.00 1.42 H new ATOM 0 HA SER B 87 -12.748 -7.807 0.127 1.00 1.71 H new ATOM 0 HB2 SER B 87 -14.160 -7.857 2.252 1.00 2.36 H new ATOM 0 HB3 SER B 87 -15.516 -8.362 1.262 1.00 2.36 H new ATOM 0 HG SER B 87 -13.466 -9.852 2.227 1.00 3.09 H new ATOM 2153 N ARG B 88 -13.655 -9.010 -1.879 1.00 1.61 N ATOM 2154 CA ARG B 88 -14.119 -9.602 -3.132 1.00 1.65 C ATOM 2155 C ARG B 88 -13.538 -10.993 -3.329 1.00 1.89 C ATOM 2156 O ARG B 88 -12.321 -11.157 -3.458 1.00 2.39 O ATOM 2157 CB ARG B 88 -13.750 -8.734 -4.338 1.00 2.06 C ATOM 2158 CG ARG B 88 -14.600 -7.488 -4.488 1.00 2.62 C ATOM 2159 CD ARG B 88 -14.450 -6.882 -5.870 1.00 3.31 C ATOM 2160 NE ARG B 88 -14.902 -7.795 -6.923 1.00 4.01 N ATOM 2161 CZ ARG B 88 -15.151 -7.421 -8.178 1.00 4.75 C ATOM 2162 NH1 ARG B 88 -15.026 -6.149 -8.535 1.00 5.00 N ATOM 2163 NH2 ARG B 88 -15.542 -8.321 -9.073 1.00 5.55 N ATOM 0 H ARG B 88 -12.713 -9.289 -1.606 1.00 1.61 H new ATOM 0 HA ARG B 88 -15.205 -9.668 -3.063 1.00 1.65 H new ATOM 0 HB2 ARG B 88 -12.704 -8.439 -4.253 1.00 2.06 H new ATOM 0 HB3 ARG B 88 -13.840 -9.333 -5.244 1.00 2.06 H new ATOM 0 HG2 ARG B 88 -15.646 -7.735 -4.309 1.00 2.62 H new ATOM 0 HG3 ARG B 88 -14.312 -6.755 -3.734 1.00 2.62 H new ATOM 0 HD2 ARG B 88 -15.022 -5.956 -5.923 1.00 3.31 H new ATOM 0 HD3 ARG B 88 -13.405 -6.622 -6.040 1.00 3.31 H new ATOM 0 HE ARG B 88 -15.034 -8.777 -6.681 1.00 4.01 H new ATOM 0 HH11 ARG B 88 -14.738 -5.452 -7.848 1.00 5.00 H new ATOM 0 HH12 ARG B 88 -15.218 -5.868 -9.497 1.00 5.00 H new ATOM 0 HH21 ARG B 88 -15.652 -9.298 -8.800 1.00 5.55 H new ATOM 0 HH22 ARG B 88 -15.733 -8.036 -10.033 1.00 5.55 H new ATOM 2177 N VAL B 89 -14.410 -11.988 -3.361 1.00 2.00 N ATOM 2178 CA VAL B 89 -13.991 -13.361 -3.597 1.00 2.42 C ATOM 2179 C VAL B 89 -14.667 -13.922 -4.853 1.00 2.25 C ATOM 2180 O VAL B 89 -15.709 -14.574 -4.772 1.00 2.29 O ATOM 2181 CB VAL B 89 -14.313 -14.271 -2.387 1.00 3.06 C ATOM 2182 CG1 VAL B 89 -13.793 -15.685 -2.611 1.00 3.58 C ATOM 2183 CG2 VAL B 89 -13.732 -13.687 -1.108 1.00 3.55 C ATOM 0 H VAL B 89 -15.414 -11.870 -3.226 1.00 2.00 H new ATOM 0 HA VAL B 89 -12.911 -13.349 -3.741 1.00 2.42 H new ATOM 0 HB VAL B 89 -15.397 -14.322 -2.284 1.00 3.06 H new ATOM 0 HG11 VAL B 89 -14.033 -16.302 -1.745 1.00 3.58 H new ATOM 0 HG12 VAL B 89 -14.261 -16.108 -3.500 1.00 3.58 H new ATOM 0 HG13 VAL B 89 -12.712 -15.658 -2.748 1.00 3.58 H new ATOM 0 HG21 VAL B 89 -13.969 -14.341 -0.269 1.00 3.55 H new ATOM 0 HG22 VAL B 89 -12.650 -13.601 -1.206 1.00 3.55 H new ATOM 0 HG23 VAL B 89 -14.160 -12.700 -0.931 1.00 3.55 H new ATOM 2187 N PRO B 90 -14.102 -13.639 -6.040 1.00 2.60 N ATOM 2188 CA PRO B 90 -14.574 -14.205 -7.297 1.00 2.83 C ATOM 2189 C PRO B 90 -14.055 -15.625 -7.480 1.00 2.80 C ATOM 2190 O PRO B 90 -13.212 -16.083 -6.701 1.00 3.31 O ATOM 2191 CB PRO B 90 -13.986 -13.274 -8.372 1.00 3.67 C ATOM 2192 CG PRO B 90 -13.264 -12.193 -7.630 1.00 3.95 C ATOM 2193 CD PRO B 90 -12.968 -12.746 -6.267 1.00 3.28 C ATOM 0 HA PRO B 90 -15.661 -14.268 -7.343 1.00 2.83 H new ATOM 0 HB2 PRO B 90 -13.307 -13.817 -9.029 1.00 3.67 H new ATOM 0 HB3 PRO B 90 -14.773 -12.857 -9.001 1.00 3.67 H new ATOM 0 HG2 PRO B 90 -12.345 -11.915 -8.145 1.00 3.95 H new ATOM 0 HG3 PRO B 90 -13.875 -11.293 -7.561 1.00 3.95 H new ATOM 0 HD2 PRO B 90 -12.018 -13.280 -6.242 1.00 3.28 H new ATOM 0 HD3 PRO B 90 -12.911 -11.961 -5.513 1.00 3.28 H new ATOM 2201 N GLU B 91 -14.559 -16.314 -8.500 1.00 2.59 N ATOM 2202 CA GLU B 91 -14.179 -17.698 -8.766 1.00 2.75 C ATOM 2203 C GLU B 91 -14.521 -18.562 -7.551 1.00 2.55 C ATOM 2204 O GLU B 91 -13.704 -19.346 -7.060 1.00 2.94 O ATOM 2205 CB GLU B 91 -12.683 -17.784 -9.103 1.00 3.30 C ATOM 2206 CG GLU B 91 -12.258 -19.100 -9.734 1.00 3.94 C ATOM 2207 CD GLU B 91 -10.774 -19.143 -10.023 1.00 4.58 C ATOM 2208 OE1 GLU B 91 -10.360 -18.683 -11.109 1.00 5.08 O ATOM 2209 OE2 GLU B 91 -10.008 -19.628 -9.162 1.00 5.01 O ATOM 0 H GLU B 91 -15.237 -15.933 -9.160 1.00 2.59 H new ATOM 0 HA GLU B 91 -14.736 -18.070 -9.626 1.00 2.75 H new ATOM 0 HB2 GLU B 91 -12.428 -16.970 -9.782 1.00 3.30 H new ATOM 0 HB3 GLU B 91 -12.108 -17.630 -8.190 1.00 3.30 H new ATOM 0 HG2 GLU B 91 -12.520 -19.922 -9.068 1.00 3.94 H new ATOM 0 HG3 GLU B 91 -12.811 -19.252 -10.661 1.00 3.94 H new ATOM 2216 N SER B 92 -15.735 -18.384 -7.059 1.00 2.56 N ATOM 2217 CA SER B 92 -16.190 -19.072 -5.868 1.00 2.76 C ATOM 2218 C SER B 92 -17.463 -19.854 -6.176 1.00 2.95 C ATOM 2219 O SER B 92 -17.357 -21.052 -6.514 1.00 3.07 O ATOM 2220 CB SER B 92 -16.427 -18.054 -4.744 1.00 3.61 C ATOM 2221 OG SER B 92 -16.723 -18.688 -3.509 1.00 4.13 O ATOM 2222 OXT SER B 92 -18.563 -19.268 -6.100 1.00 3.54 O ATOM 0 H SER B 92 -16.428 -17.761 -7.473 1.00 2.56 H new ATOM 0 HA SER B 92 -15.428 -19.778 -5.539 1.00 2.76 H new ATOM 0 HB2 SER B 92 -15.542 -17.429 -4.628 1.00 3.61 H new ATOM 0 HB3 SER B 92 -17.250 -17.394 -5.020 1.00 3.61 H new ATOM 0 HG SER B 92 -16.866 -18.008 -2.818 1.00 4.13 H new TER 2228 SER B 92