USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot -140:sc= 0.419 USER MOD Set 1.2: A 79 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 TYR OH : rot 165:sc= -0.783 USER MOD Set 2.2: A 51 MET CE :methyl 167:sc=-0.000361 (180deg=-0.487) USER MOD Set 3.1: A 1 MET N :NH3+ 169:sc= 0.568 (180deg=0) USER MOD Set 3.2: A 5 THR OG1 : rot -118:sc= 0.521 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.16 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 86:sc= 0.651 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.24 (180deg=-0.376) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.214 F(o=-0.72,f=-0.21) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -159:sc= 0.882 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.4!) USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= 1.29 (180deg=-0.197) USER MOD Single : A 30 SER OG : rot -94:sc= 0.722 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0142) USER MOD Single : A 35 ASN : amide:sc= -0.873 K(o=-0.87,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -108:sc= 1.07 USER MOD Single : A 47 SER OG : rot -43:sc= 0.0718 USER MOD Single : A 49 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.61) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-9.64e-05) USER MOD Single : A 53 THR OG1 : rot 19:sc= 0.736 USER MOD Single : A 55 SER OG : rot -106:sc= 0.84 USER MOD Single : A 56 THR OG1 : rot 45:sc= 0.695 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 70:sc= 0.51 USER MOD Single : A 66 LYS NZ :NH3+ -146:sc= 1.17 (180deg=-0.391) USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 1.12 (180deg=0.039) USER MOD Single : A 68 SER OG : rot 93:sc= 0.314 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.9) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.417 -18.622 -0.331 1.00 4.49 N ATOM 2 CA MET A 1 -2.145 -18.191 -0.937 1.00 3.91 C ATOM 3 C MET A 1 -2.163 -18.474 -2.435 1.00 2.77 C ATOM 4 O MET A 1 -1.495 -19.380 -2.917 1.00 3.73 O ATOM 5 CB MET A 1 -0.929 -18.824 -0.240 1.00 4.97 C ATOM 6 CG MET A 1 -0.933 -20.361 -0.227 1.00 5.60 C ATOM 7 SD MET A 1 0.673 -21.093 -0.643 1.00 6.92 S ATOM 8 CE MET A 1 0.277 -22.851 -0.470 1.00 7.60 C ATOM 0 H1 MET A 1 -3.332 -18.602 0.705 1.00 4.49 H new ATOM 0 H2 MET A 1 -4.179 -17.980 -0.629 1.00 4.49 H new ATOM 0 H3 MET A 1 -3.639 -19.589 -0.641 1.00 4.49 H new ATOM 0 HA MET A 1 -2.043 -17.115 -0.794 1.00 3.91 H new ATOM 0 HB2 MET A 1 -0.021 -18.479 -0.736 1.00 4.97 H new ATOM 0 HB3 MET A 1 -0.887 -18.464 0.788 1.00 4.97 H new ATOM 0 HG2 MET A 1 -1.236 -20.707 0.761 1.00 5.60 H new ATOM 0 HG3 MET A 1 -1.681 -20.720 -0.934 1.00 5.60 H new ATOM 0 HE1 MET A 1 1.162 -23.447 -0.692 1.00 7.60 H new ATOM 0 HE2 MET A 1 -0.049 -23.052 0.551 1.00 7.60 H new ATOM 0 HE3 MET A 1 -0.521 -23.114 -1.164 1.00 7.60 H new ATOM 20 N SER A 2 -2.956 -17.716 -3.184 1.00 1.91 N ATOM 21 CA SER A 2 -2.935 -17.772 -4.638 1.00 1.24 C ATOM 22 C SER A 2 -3.506 -16.449 -5.133 1.00 1.04 C ATOM 23 O SER A 2 -3.609 -15.511 -4.345 1.00 0.94 O ATOM 24 CB SER A 2 -3.739 -18.978 -5.139 1.00 2.01 C ATOM 25 OG SER A 2 -3.467 -19.191 -6.509 1.00 2.65 O ATOM 0 H SER A 2 -3.627 -17.050 -2.802 1.00 1.91 H new ATOM 0 HA SER A 2 -1.924 -17.905 -5.023 1.00 1.24 H new ATOM 0 HB2 SER A 2 -3.479 -19.866 -4.563 1.00 2.01 H new ATOM 0 HB3 SER A 2 -4.805 -18.804 -4.992 1.00 2.01 H new ATOM 0 HG SER A 2 -3.980 -19.963 -6.828 1.00 2.65 H new ATOM 31 N GLU A 3 -3.888 -16.348 -6.404 1.00 1.12 N ATOM 32 CA GLU A 3 -4.354 -15.091 -6.972 1.00 1.08 C ATOM 33 C GLU A 3 -5.643 -14.609 -6.313 1.00 0.98 C ATOM 34 O GLU A 3 -5.902 -13.411 -6.304 1.00 0.94 O ATOM 35 CB GLU A 3 -4.462 -15.205 -8.498 1.00 1.39 C ATOM 36 CG GLU A 3 -4.268 -13.832 -9.152 1.00 2.02 C ATOM 37 CD GLU A 3 -3.949 -13.967 -10.640 1.00 2.50 C ATOM 38 OE1 GLU A 3 -4.879 -14.267 -11.413 1.00 2.69 O ATOM 39 OE2 GLU A 3 -2.756 -13.764 -10.977 1.00 3.52 O ATOM 0 H GLU A 3 -3.883 -17.128 -7.061 1.00 1.12 H new ATOM 0 HA GLU A 3 -3.615 -14.319 -6.758 1.00 1.08 H new ATOM 0 HB2 GLU A 3 -3.711 -15.902 -8.871 1.00 1.39 H new ATOM 0 HB3 GLU A 3 -5.436 -15.610 -8.771 1.00 1.39 H new ATOM 0 HG2 GLU A 3 -5.171 -13.235 -9.024 1.00 2.02 H new ATOM 0 HG3 GLU A 3 -3.460 -13.299 -8.651 1.00 2.02 H new ATOM 46 N GLU A 4 -6.405 -15.502 -5.680 1.00 1.05 N ATOM 47 CA GLU A 4 -7.490 -15.110 -4.792 1.00 1.01 C ATOM 48 C GLU A 4 -6.955 -14.210 -3.684 1.00 0.85 C ATOM 49 O GLU A 4 -7.423 -13.091 -3.508 1.00 0.84 O ATOM 50 CB GLU A 4 -8.124 -16.354 -4.165 1.00 1.17 C ATOM 51 CG GLU A 4 -8.884 -17.204 -5.185 1.00 1.50 C ATOM 52 CD GLU A 4 -9.079 -18.608 -4.619 1.00 2.07 C ATOM 53 OE1 GLU A 4 -8.102 -19.385 -4.708 1.00 3.12 O ATOM 54 OE2 GLU A 4 -10.167 -18.860 -4.059 1.00 2.47 O ATOM 0 H GLU A 4 -6.285 -16.511 -5.770 1.00 1.05 H new ATOM 0 HA GLU A 4 -8.239 -14.570 -5.371 1.00 1.01 H new ATOM 0 HB2 GLU A 4 -7.345 -16.960 -3.701 1.00 1.17 H new ATOM 0 HB3 GLU A 4 -8.806 -16.049 -3.371 1.00 1.17 H new ATOM 0 HG2 GLU A 4 -9.850 -16.751 -5.407 1.00 1.50 H new ATOM 0 HG3 GLU A 4 -8.331 -17.250 -6.123 1.00 1.50 H new ATOM 61 N THR A 5 -5.970 -14.691 -2.925 1.00 0.82 N ATOM 62 CA THR A 5 -5.375 -13.941 -1.833 1.00 0.78 C ATOM 63 C THR A 5 -4.753 -12.656 -2.363 1.00 0.67 C ATOM 64 O THR A 5 -4.982 -11.580 -1.819 1.00 0.68 O ATOM 65 CB THR A 5 -4.306 -14.799 -1.148 1.00 0.93 C ATOM 66 OG1 THR A 5 -4.753 -16.141 -1.016 1.00 1.11 O ATOM 67 CG2 THR A 5 -3.950 -14.239 0.231 1.00 1.03 C ATOM 0 H THR A 5 -5.564 -15.618 -3.056 1.00 0.82 H new ATOM 0 HA THR A 5 -6.148 -13.683 -1.109 1.00 0.78 H new ATOM 0 HB THR A 5 -3.414 -14.777 -1.774 1.00 0.93 H new ATOM 0 HG1 THR A 5 -4.803 -16.377 -0.066 1.00 1.11 H new ATOM 0 HG21 THR A 5 -3.189 -14.868 0.694 1.00 1.03 H new ATOM 0 HG22 THR A 5 -3.566 -13.224 0.124 1.00 1.03 H new ATOM 0 HG23 THR A 5 -4.841 -14.225 0.859 1.00 1.03 H new ATOM 75 N SER A 6 -3.952 -12.761 -3.424 1.00 0.64 N ATOM 76 CA SER A 6 -3.215 -11.637 -3.959 1.00 0.58 C ATOM 77 C SER A 6 -4.178 -10.548 -4.396 1.00 0.64 C ATOM 78 O SER A 6 -3.899 -9.381 -4.186 1.00 0.81 O ATOM 79 CB SER A 6 -2.318 -12.082 -5.117 1.00 0.65 C ATOM 80 OG SER A 6 -1.384 -11.071 -5.440 1.00 0.84 O ATOM 0 H SER A 6 -3.802 -13.633 -3.931 1.00 0.64 H new ATOM 0 HA SER A 6 -2.570 -11.232 -3.179 1.00 0.58 H new ATOM 0 HB2 SER A 6 -1.792 -12.997 -4.846 1.00 0.65 H new ATOM 0 HB3 SER A 6 -2.929 -12.312 -5.990 1.00 0.65 H new ATOM 0 HG SER A 6 -0.818 -11.373 -6.181 1.00 0.84 H new ATOM 86 N THR A 7 -5.298 -10.898 -5.010 1.00 0.66 N ATOM 87 CA THR A 7 -6.275 -9.924 -5.463 1.00 0.76 C ATOM 88 C THR A 7 -7.093 -9.384 -4.304 1.00 0.75 C ATOM 89 O THR A 7 -7.387 -8.192 -4.277 1.00 0.76 O ATOM 90 CB THR A 7 -7.160 -10.531 -6.558 1.00 0.88 C ATOM 91 OG1 THR A 7 -6.335 -10.934 -7.627 1.00 0.95 O ATOM 92 CG2 THR A 7 -8.180 -9.534 -7.108 1.00 1.02 C ATOM 0 H THR A 7 -5.554 -11.865 -5.207 1.00 0.66 H new ATOM 0 HA THR A 7 -5.745 -9.075 -5.895 1.00 0.76 H new ATOM 0 HB THR A 7 -7.703 -11.366 -6.115 1.00 0.88 H new ATOM 0 HG1 THR A 7 -5.993 -11.836 -7.454 1.00 0.95 H new ATOM 0 HG21 THR A 7 -8.780 -10.016 -7.880 1.00 1.02 H new ATOM 0 HG22 THR A 7 -8.830 -9.196 -6.301 1.00 1.02 H new ATOM 0 HG23 THR A 7 -7.658 -8.678 -7.536 1.00 1.02 H new ATOM 100 N GLN A 8 -7.427 -10.224 -3.327 1.00 0.80 N ATOM 101 CA GLN A 8 -8.154 -9.781 -2.147 1.00 0.88 C ATOM 102 C GLN A 8 -7.341 -8.697 -1.455 1.00 0.78 C ATOM 103 O GLN A 8 -7.872 -7.693 -0.984 1.00 0.83 O ATOM 104 CB GLN A 8 -8.371 -10.975 -1.207 1.00 1.01 C ATOM 105 CG GLN A 8 -9.524 -11.878 -1.666 1.00 1.22 C ATOM 106 CD GLN A 8 -10.858 -11.458 -1.055 1.00 1.52 C ATOM 107 OE1 GLN A 8 -11.105 -10.284 -0.819 1.00 2.19 O ATOM 108 NE2 GLN A 8 -11.737 -12.410 -0.770 1.00 1.89 N ATOM 0 H GLN A 8 -7.203 -11.219 -3.333 1.00 0.80 H new ATOM 0 HA GLN A 8 -9.127 -9.378 -2.426 1.00 0.88 H new ATOM 0 HB2 GLN A 8 -7.454 -11.561 -1.151 1.00 1.01 H new ATOM 0 HB3 GLN A 8 -8.578 -10.609 -0.201 1.00 1.01 H new ATOM 0 HG2 GLN A 8 -9.598 -11.847 -2.753 1.00 1.22 H new ATOM 0 HG3 GLN A 8 -9.308 -12.910 -1.390 1.00 1.22 H new ATOM 0 HE21 GLN A 8 -11.517 -13.385 -0.973 1.00 1.89 H new ATOM 0 HE22 GLN A 8 -12.633 -12.167 -0.348 1.00 1.89 H new ATOM 117 N ILE A 9 -6.028 -8.906 -1.392 1.00 0.69 N ATOM 118 CA ILE A 9 -5.159 -8.062 -0.601 1.00 0.61 C ATOM 119 C ILE A 9 -4.726 -6.857 -1.414 1.00 0.46 C ATOM 120 O ILE A 9 -4.506 -5.787 -0.863 1.00 0.52 O ATOM 121 CB ILE A 9 -3.989 -8.889 -0.064 1.00 0.74 C ATOM 122 CG1 ILE A 9 -3.531 -8.272 1.256 1.00 1.35 C ATOM 123 CG2 ILE A 9 -2.797 -8.994 -1.010 1.00 1.73 C ATOM 124 CD1 ILE A 9 -2.515 -9.165 1.966 1.00 1.67 C ATOM 0 H ILE A 9 -5.548 -9.659 -1.885 1.00 0.69 H new ATOM 0 HA ILE A 9 -5.692 -7.672 0.266 1.00 0.61 H new ATOM 0 HB ILE A 9 -4.357 -9.907 0.060 1.00 0.74 H new ATOM 0 HG12 ILE A 9 -3.089 -7.294 1.068 1.00 1.35 H new ATOM 0 HG13 ILE A 9 -4.393 -8.113 1.904 1.00 1.35 H new ATOM 0 HG21 ILE A 9 -2.017 -9.598 -0.546 1.00 1.73 H new ATOM 0 HG22 ILE A 9 -3.113 -9.463 -1.942 1.00 1.73 H new ATOM 0 HG23 ILE A 9 -2.409 -7.997 -1.218 1.00 1.73 H new ATOM 0 HD11 ILE A 9 -2.210 -8.696 2.902 1.00 1.67 H new ATOM 0 HD12 ILE A 9 -2.967 -10.134 2.176 1.00 1.67 H new ATOM 0 HD13 ILE A 9 -1.642 -9.302 1.328 1.00 1.67 H new ATOM 136 N LEU A 10 -4.625 -7.025 -2.729 1.00 0.46 N ATOM 137 CA LEU A 10 -4.363 -5.920 -3.643 1.00 0.51 C ATOM 138 C LEU A 10 -5.489 -4.896 -3.527 1.00 0.49 C ATOM 139 O LEU A 10 -5.235 -3.717 -3.287 1.00 0.48 O ATOM 140 CB LEU A 10 -4.209 -6.450 -5.072 1.00 0.69 C ATOM 141 CG LEU A 10 -3.540 -5.500 -6.067 1.00 0.78 C ATOM 142 CD1 LEU A 10 -4.053 -5.883 -7.455 1.00 1.81 C ATOM 143 CD2 LEU A 10 -3.767 -4.020 -5.767 1.00 1.93 C ATOM 0 H LEU A 10 -4.722 -7.930 -3.190 1.00 0.46 H new ATOM 0 HA LEU A 10 -3.428 -5.424 -3.380 1.00 0.51 H new ATOM 0 HB2 LEU A 10 -3.631 -7.374 -5.036 1.00 0.69 H new ATOM 0 HB3 LEU A 10 -5.198 -6.707 -5.452 1.00 0.69 H new ATOM 0 HG LEU A 10 -2.458 -5.615 -5.995 1.00 0.78 H new ATOM 0 HD11 LEU A 10 -3.602 -5.230 -8.202 1.00 1.81 H new ATOM 0 HD12 LEU A 10 -3.786 -6.918 -7.669 1.00 1.81 H new ATOM 0 HD13 LEU A 10 -5.137 -5.774 -7.485 1.00 1.81 H new ATOM 0 HD21 LEU A 10 -3.260 -3.415 -6.518 1.00 1.93 H new ATOM 0 HD22 LEU A 10 -4.835 -3.804 -5.787 1.00 1.93 H new ATOM 0 HD23 LEU A 10 -3.368 -3.783 -4.781 1.00 1.93 H new ATOM 155 N LYS A 11 -6.742 -5.332 -3.654 1.00 0.57 N ATOM 156 CA LYS A 11 -7.881 -4.462 -3.383 1.00 0.55 C ATOM 157 C LYS A 11 -7.727 -3.840 -2.008 1.00 0.56 C ATOM 158 O LYS A 11 -7.838 -2.636 -1.820 1.00 0.79 O ATOM 159 CB LYS A 11 -9.184 -5.273 -3.424 1.00 0.56 C ATOM 160 CG LYS A 11 -9.867 -5.184 -4.778 1.00 1.53 C ATOM 161 CD LYS A 11 -9.035 -5.691 -5.957 1.00 2.37 C ATOM 162 CE LYS A 11 -9.860 -5.537 -7.237 1.00 2.99 C ATOM 163 NZ LYS A 11 -10.372 -4.155 -7.367 1.00 4.10 N ATOM 0 H LYS A 11 -6.991 -6.278 -3.942 1.00 0.57 H new ATOM 0 HA LYS A 11 -7.918 -3.680 -4.142 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -8.969 -6.317 -3.194 1.00 0.56 H new ATOM 0 HB3 LYS A 11 -9.862 -4.910 -2.651 1.00 0.56 H new ATOM 0 HG2 LYS A 11 -10.796 -5.753 -4.737 1.00 1.53 H new ATOM 0 HG3 LYS A 11 -10.137 -4.145 -4.964 1.00 1.53 H new ATOM 0 HD2 LYS A 11 -8.106 -5.126 -6.035 1.00 2.37 H new ATOM 0 HD3 LYS A 11 -8.762 -6.735 -5.806 1.00 2.37 H new ATOM 0 HE2 LYS A 11 -9.246 -5.786 -8.103 1.00 2.99 H new ATOM 0 HE3 LYS A 11 -10.694 -6.239 -7.225 1.00 2.99 H new ATOM 0 HZ1 LYS A 11 -10.498 -3.925 -8.373 1.00 4.10 H new ATOM 0 HZ2 LYS A 11 -11.286 -4.076 -6.877 1.00 4.10 H new ATOM 0 HZ3 LYS A 11 -9.693 -3.492 -6.942 1.00 4.10 H new ATOM 177 N GLN A 12 -7.393 -4.674 -1.035 1.00 0.52 N ATOM 178 CA GLN A 12 -7.196 -4.191 0.323 1.00 0.57 C ATOM 179 C GLN A 12 -6.087 -3.133 0.374 1.00 0.56 C ATOM 180 O GLN A 12 -6.109 -2.277 1.248 1.00 0.66 O ATOM 181 CB GLN A 12 -6.914 -5.354 1.283 1.00 0.72 C ATOM 182 CG GLN A 12 -7.356 -5.052 2.720 1.00 1.14 C ATOM 183 CD GLN A 12 -8.867 -4.887 2.893 1.00 1.11 C ATOM 184 OE1 GLN A 12 -9.689 -5.547 2.082 1.00 2.06 O flip ATOM 185 NE2 GLN A 12 -9.305 -4.180 3.791 1.00 1.79 N flip ATOM 0 H GLN A 12 -7.254 -5.677 -1.158 1.00 0.52 H new ATOM 0 HA GLN A 12 -8.119 -3.712 0.651 1.00 0.57 H new ATOM 0 HB2 GLN A 12 -7.429 -6.246 0.928 1.00 0.72 H new ATOM 0 HB3 GLN A 12 -5.847 -5.577 1.274 1.00 0.72 H new ATOM 0 HG2 GLN A 12 -7.014 -5.857 3.370 1.00 1.14 H new ATOM 0 HG3 GLN A 12 -6.862 -4.140 3.055 1.00 1.14 H new ATOM 0 HE21 GLN A 12 -8.663 -3.680 4.405 1.00 1.79 H new ATOM 0 HE22 GLN A 12 -10.312 -4.091 3.925 1.00 1.79 H new ATOM 194 N VAL A 13 -5.107 -3.157 -0.528 1.00 0.52 N ATOM 195 CA VAL A 13 -4.025 -2.188 -0.531 1.00 0.53 C ATOM 196 C VAL A 13 -4.578 -0.861 -1.041 1.00 0.48 C ATOM 197 O VAL A 13 -4.293 0.195 -0.478 1.00 0.61 O ATOM 198 CB VAL A 13 -2.824 -2.748 -1.332 1.00 0.55 C ATOM 199 CG1 VAL A 13 -2.391 -1.910 -2.539 1.00 1.14 C ATOM 200 CG2 VAL A 13 -1.617 -2.882 -0.401 1.00 0.91 C ATOM 0 H VAL A 13 -5.045 -3.850 -1.274 1.00 0.52 H new ATOM 0 HA VAL A 13 -3.634 -2.001 0.469 1.00 0.53 H new ATOM 0 HB VAL A 13 -3.169 -3.704 -1.725 1.00 0.55 H new ATOM 0 HG11 VAL A 13 -1.544 -2.389 -3.030 1.00 1.14 H new ATOM 0 HG12 VAL A 13 -3.220 -1.830 -3.242 1.00 1.14 H new ATOM 0 HG13 VAL A 13 -2.101 -0.914 -2.205 1.00 1.14 H new ATOM 0 HG21 VAL A 13 -0.768 -3.276 -0.960 1.00 0.91 H new ATOM 0 HG22 VAL A 13 -1.361 -1.904 0.006 1.00 0.91 H new ATOM 0 HG23 VAL A 13 -1.861 -3.562 0.415 1.00 0.91 H new ATOM 210 N GLU A 14 -5.390 -0.903 -2.100 1.00 0.37 N ATOM 211 CA GLU A 14 -5.952 0.307 -2.669 1.00 0.42 C ATOM 212 C GLU A 14 -7.008 0.909 -1.741 1.00 0.40 C ATOM 213 O GLU A 14 -7.182 2.126 -1.731 1.00 0.40 O ATOM 214 CB GLU A 14 -6.373 0.066 -4.129 1.00 0.58 C ATOM 215 CG GLU A 14 -7.775 -0.494 -4.428 1.00 1.41 C ATOM 216 CD GLU A 14 -7.807 -1.119 -5.832 1.00 2.38 C ATOM 217 OE1 GLU A 14 -7.047 -0.597 -6.679 1.00 3.22 O ATOM 218 OE2 GLU A 14 -8.541 -2.116 -6.065 1.00 3.36 O ATOM 0 H GLU A 14 -5.668 -1.763 -2.574 1.00 0.37 H new ATOM 0 HA GLU A 14 -5.196 1.090 -2.735 1.00 0.42 H new ATOM 0 HB2 GLU A 14 -6.280 1.015 -4.657 1.00 0.58 H new ATOM 0 HB3 GLU A 14 -5.647 -0.617 -4.570 1.00 0.58 H new ATOM 0 HG2 GLU A 14 -8.042 -1.243 -3.682 1.00 1.41 H new ATOM 0 HG3 GLU A 14 -8.515 0.303 -4.359 1.00 1.41 H new ATOM 225 N TYR A 15 -7.636 0.097 -0.882 1.00 0.44 N ATOM 226 CA TYR A 15 -8.625 0.540 0.087 1.00 0.50 C ATOM 227 C TYR A 15 -8.049 1.653 0.965 1.00 0.48 C ATOM 228 O TYR A 15 -8.707 2.667 1.153 1.00 0.49 O ATOM 229 CB TYR A 15 -9.170 -0.660 0.882 1.00 0.58 C ATOM 230 CG TYR A 15 -9.334 -0.429 2.367 1.00 0.86 C ATOM 231 CD1 TYR A 15 -10.495 0.172 2.882 1.00 1.21 C ATOM 232 CD2 TYR A 15 -8.286 -0.782 3.230 1.00 1.06 C ATOM 233 CE1 TYR A 15 -10.599 0.429 4.261 1.00 1.49 C ATOM 234 CE2 TYR A 15 -8.384 -0.539 4.602 1.00 1.36 C ATOM 235 CZ TYR A 15 -9.539 0.076 5.131 1.00 1.49 C ATOM 236 OH TYR A 15 -9.624 0.343 6.465 1.00 1.84 O ATOM 0 H TYR A 15 -7.461 -0.907 -0.847 1.00 0.44 H new ATOM 0 HA TYR A 15 -9.481 0.975 -0.429 1.00 0.50 H new ATOM 0 HB2 TYR A 15 -10.137 -0.942 0.466 1.00 0.58 H new ATOM 0 HB3 TYR A 15 -8.500 -1.507 0.734 1.00 0.58 H new ATOM 0 HD1 TYR A 15 -11.306 0.436 2.220 1.00 1.21 H new ATOM 0 HD2 TYR A 15 -7.396 -1.245 2.830 1.00 1.06 H new ATOM 0 HE1 TYR A 15 -11.489 0.896 4.657 1.00 1.49 H new ATOM 0 HE2 TYR A 15 -7.575 -0.822 5.259 1.00 1.36 H new ATOM 0 HH TYR A 15 -8.809 0.033 6.913 1.00 1.84 H new ATOM 246 N TYR A 16 -6.815 1.535 1.460 1.00 0.50 N ATOM 247 CA TYR A 16 -6.253 2.572 2.332 1.00 0.51 C ATOM 248 C TYR A 16 -6.221 3.952 1.663 1.00 0.47 C ATOM 249 O TYR A 16 -6.355 4.974 2.339 1.00 0.54 O ATOM 250 CB TYR A 16 -4.869 2.160 2.832 1.00 0.59 C ATOM 251 CG TYR A 16 -4.884 0.874 3.622 1.00 0.88 C ATOM 252 CD1 TYR A 16 -5.142 0.881 5.006 1.00 1.60 C ATOM 253 CD2 TYR A 16 -4.614 -0.333 2.965 1.00 2.54 C ATOM 254 CE1 TYR A 16 -5.070 -0.316 5.743 1.00 1.72 C ATOM 255 CE2 TYR A 16 -4.604 -1.535 3.681 1.00 3.01 C ATOM 256 CZ TYR A 16 -4.807 -1.530 5.073 1.00 1.95 C ATOM 257 OH TYR A 16 -4.769 -2.699 5.763 1.00 2.54 O ATOM 0 H TYR A 16 -6.194 0.747 1.277 1.00 0.50 H new ATOM 0 HA TYR A 16 -6.917 2.666 3.191 1.00 0.51 H new ATOM 0 HB2 TYR A 16 -4.200 2.048 1.979 1.00 0.59 H new ATOM 0 HB3 TYR A 16 -4.462 2.957 3.454 1.00 0.59 H new ATOM 0 HD1 TYR A 16 -5.395 1.806 5.503 1.00 1.60 H new ATOM 0 HD2 TYR A 16 -4.413 -0.336 1.904 1.00 2.54 H new ATOM 0 HE1 TYR A 16 -5.215 -0.306 6.813 1.00 1.72 H new ATOM 0 HE2 TYR A 16 -4.440 -2.469 3.164 1.00 3.01 H new ATOM 0 HH TYR A 16 -4.817 -3.451 5.136 1.00 2.54 H new ATOM 267 N PHE A 17 -6.059 3.995 0.338 1.00 0.46 N ATOM 268 CA PHE A 17 -6.021 5.246 -0.411 1.00 0.51 C ATOM 269 C PHE A 17 -7.359 5.565 -1.082 1.00 0.58 C ATOM 270 O PHE A 17 -7.527 6.683 -1.570 1.00 0.91 O ATOM 271 CB PHE A 17 -4.868 5.203 -1.423 1.00 0.63 C ATOM 272 CG PHE A 17 -3.530 5.426 -0.752 1.00 0.97 C ATOM 273 CD1 PHE A 17 -2.882 4.366 -0.095 1.00 1.19 C ATOM 274 CD2 PHE A 17 -2.968 6.718 -0.719 1.00 1.66 C ATOM 275 CE1 PHE A 17 -1.693 4.602 0.616 1.00 1.62 C ATOM 276 CE2 PHE A 17 -1.775 6.951 -0.015 1.00 2.18 C ATOM 277 CZ PHE A 17 -1.145 5.896 0.664 1.00 2.04 C ATOM 0 H PHE A 17 -5.951 3.163 -0.242 1.00 0.46 H new ATOM 0 HA PHE A 17 -5.842 6.060 0.291 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -4.865 4.239 -1.931 1.00 0.63 H new ATOM 0 HB3 PHE A 17 -5.024 5.965 -2.186 1.00 0.63 H new ATOM 0 HD1 PHE A 17 -3.298 3.370 -0.137 1.00 1.19 H new ATOM 0 HD2 PHE A 17 -3.456 7.531 -1.236 1.00 1.66 H new ATOM 0 HE1 PHE A 17 -1.199 3.788 1.126 1.00 1.62 H new ATOM 0 HE2 PHE A 17 -1.343 7.941 0.004 1.00 2.18 H new ATOM 0 HZ PHE A 17 -0.239 6.078 1.223 1.00 2.04 H new ATOM 287 N SER A 18 -8.299 4.615 -1.099 1.00 0.44 N ATOM 288 CA SER A 18 -9.596 4.718 -1.754 1.00 0.51 C ATOM 289 C SER A 18 -10.661 5.212 -0.780 1.00 0.52 C ATOM 290 O SER A 18 -11.505 6.039 -1.112 1.00 0.72 O ATOM 291 CB SER A 18 -9.948 3.370 -2.385 1.00 0.63 C ATOM 292 OG SER A 18 -11.077 3.479 -3.221 1.00 0.72 O ATOM 0 H SER A 18 -8.166 3.716 -0.635 1.00 0.44 H new ATOM 0 HA SER A 18 -9.551 5.460 -2.552 1.00 0.51 H new ATOM 0 HB2 SER A 18 -9.099 3.002 -2.962 1.00 0.63 H new ATOM 0 HB3 SER A 18 -10.142 2.638 -1.601 1.00 0.63 H new ATOM 0 HG SER A 18 -11.482 2.595 -3.341 1.00 0.72 H new ATOM 298 N ASP A 19 -10.561 4.776 0.472 1.00 0.48 N ATOM 299 CA ASP A 19 -11.498 5.010 1.562 1.00 0.54 C ATOM 300 C ASP A 19 -11.276 6.385 2.194 1.00 0.56 C ATOM 301 O ASP A 19 -11.739 6.673 3.290 1.00 0.62 O ATOM 302 CB ASP A 19 -11.209 3.894 2.568 1.00 0.59 C ATOM 303 CG ASP A 19 -12.218 3.774 3.709 1.00 0.74 C ATOM 304 OD1 ASP A 19 -13.424 3.945 3.423 1.00 1.71 O ATOM 305 OD2 ASP A 19 -11.774 3.418 4.826 1.00 2.23 O ATOM 0 H ASP A 19 -9.767 4.210 0.771 1.00 0.48 H new ATOM 0 HA ASP A 19 -12.533 5.001 1.221 1.00 0.54 H new ATOM 0 HB2 ASP A 19 -11.173 2.945 2.034 1.00 0.59 H new ATOM 0 HB3 ASP A 19 -10.219 4.057 2.994 1.00 0.59 H new ATOM 310 N SER A 20 -10.505 7.243 1.520 1.00 0.58 N ATOM 311 CA SER A 20 -9.997 8.497 2.054 1.00 0.66 C ATOM 312 C SER A 20 -9.381 8.350 3.450 1.00 0.68 C ATOM 313 O SER A 20 -9.295 9.328 4.192 1.00 0.74 O ATOM 314 CB SER A 20 -11.109 9.543 2.012 1.00 0.78 C ATOM 315 OG SER A 20 -11.527 9.700 0.671 1.00 1.43 O ATOM 0 H SER A 20 -10.211 7.073 0.558 1.00 0.58 H new ATOM 0 HA SER A 20 -9.172 8.830 1.424 1.00 0.66 H new ATOM 0 HB2 SER A 20 -11.947 9.231 2.636 1.00 0.78 H new ATOM 0 HB3 SER A 20 -10.751 10.492 2.411 1.00 0.78 H new ATOM 0 HG SER A 20 -12.243 10.368 0.628 1.00 1.43 H new ATOM 321 N ASN A 21 -8.859 7.167 3.793 1.00 0.67 N ATOM 322 CA ASN A 21 -8.225 6.988 5.089 1.00 0.68 C ATOM 323 C ASN A 21 -6.777 7.470 5.060 1.00 0.62 C ATOM 324 O ASN A 21 -6.240 7.809 6.110 1.00 0.68 O ATOM 325 CB ASN A 21 -8.350 5.539 5.594 1.00 0.74 C ATOM 326 CG ASN A 21 -9.073 5.480 6.942 1.00 1.09 C ATOM 327 OD1 ASN A 21 -9.896 6.324 7.276 1.00 1.55 O ATOM 328 ND2 ASN A 21 -8.761 4.497 7.775 1.00 1.85 N ATOM 0 H ASN A 21 -8.865 6.338 3.199 1.00 0.67 H new ATOM 0 HA ASN A 21 -8.758 7.609 5.809 1.00 0.68 H new ATOM 0 HB2 ASN A 21 -8.893 4.942 4.861 1.00 0.74 H new ATOM 0 HB3 ASN A 21 -7.358 5.099 5.692 1.00 0.74 H new ATOM 0 HD21 ASN A 21 -9.206 4.445 8.691 1.00 1.85 H new ATOM 0 HD22 ASN A 21 -8.076 3.793 7.499 1.00 1.85 H new ATOM 335 N PHE A 22 -6.146 7.579 3.885 1.00 0.58 N ATOM 336 CA PHE A 22 -4.807 8.118 3.758 1.00 0.52 C ATOM 337 C PHE A 22 -4.736 9.527 4.344 1.00 0.50 C ATOM 338 O PHE A 22 -3.952 9.733 5.268 1.00 0.56 O ATOM 339 CB PHE A 22 -4.341 8.003 2.303 1.00 0.60 C ATOM 340 CG PHE A 22 -3.511 9.158 1.804 1.00 0.56 C ATOM 341 CD1 PHE A 22 -2.333 9.543 2.465 1.00 1.93 C ATOM 342 CD2 PHE A 22 -3.991 9.916 0.729 1.00 1.77 C ATOM 343 CE1 PHE A 22 -1.658 10.704 2.063 1.00 2.07 C ATOM 344 CE2 PHE A 22 -3.338 11.095 0.361 1.00 2.07 C ATOM 345 CZ PHE A 22 -2.159 11.489 1.013 1.00 1.43 C ATOM 0 H PHE A 22 -6.560 7.292 2.998 1.00 0.58 H new ATOM 0 HA PHE A 22 -4.101 7.533 4.347 1.00 0.52 H new ATOM 0 HB2 PHE A 22 -3.762 7.086 2.195 1.00 0.60 H new ATOM 0 HB3 PHE A 22 -5.218 7.903 1.664 1.00 0.60 H new ATOM 0 HD1 PHE A 22 -1.949 8.947 3.280 1.00 1.93 H new ATOM 0 HD2 PHE A 22 -4.865 9.590 0.185 1.00 1.77 H new ATOM 0 HE1 PHE A 22 -0.747 10.996 2.564 1.00 2.07 H new ATOM 0 HE2 PHE A 22 -3.743 11.708 -0.431 1.00 2.07 H new ATOM 0 HZ PHE A 22 -1.642 12.388 0.710 1.00 1.43 H new ATOM 355 N PRO A 23 -5.540 10.504 3.903 1.00 0.52 N ATOM 356 CA PRO A 23 -5.444 11.831 4.474 1.00 0.62 C ATOM 357 C PRO A 23 -5.901 11.855 5.936 1.00 0.66 C ATOM 358 O PRO A 23 -5.654 12.833 6.641 1.00 0.80 O ATOM 359 CB PRO A 23 -6.311 12.728 3.592 1.00 0.71 C ATOM 360 CG PRO A 23 -7.359 11.761 3.048 1.00 0.66 C ATOM 361 CD PRO A 23 -6.564 10.467 2.875 1.00 0.52 C ATOM 0 HA PRO A 23 -4.411 12.179 4.493 1.00 0.62 H new ATOM 0 HB2 PRO A 23 -6.766 13.538 4.163 1.00 0.71 H new ATOM 0 HB3 PRO A 23 -5.732 13.189 2.791 1.00 0.71 H new ATOM 0 HG2 PRO A 23 -8.192 11.635 3.740 1.00 0.66 H new ATOM 0 HG3 PRO A 23 -7.779 12.108 2.104 1.00 0.66 H new ATOM 0 HD2 PRO A 23 -7.205 9.593 2.991 1.00 0.52 H new ATOM 0 HD3 PRO A 23 -6.121 10.408 1.881 1.00 0.52 H new ATOM 369 N ARG A 24 -6.549 10.797 6.427 1.00 0.66 N ATOM 370 CA ARG A 24 -7.034 10.755 7.794 1.00 0.71 C ATOM 371 C ARG A 24 -6.057 10.058 8.733 1.00 0.68 C ATOM 372 O ARG A 24 -6.173 10.251 9.943 1.00 0.96 O ATOM 373 CB ARG A 24 -8.440 10.140 7.786 1.00 0.77 C ATOM 374 CG ARG A 24 -9.144 10.316 9.133 1.00 0.90 C ATOM 375 CD ARG A 24 -8.949 9.092 10.036 1.00 1.67 C ATOM 376 NE ARG A 24 -8.700 9.492 11.429 1.00 2.70 N ATOM 377 CZ ARG A 24 -9.095 8.836 12.528 1.00 3.45 C ATOM 378 NH1 ARG A 24 -9.760 7.684 12.424 1.00 3.48 N ATOM 379 NH2 ARG A 24 -8.817 9.333 13.735 1.00 4.51 N ATOM 0 H ARG A 24 -6.748 9.955 5.887 1.00 0.66 H new ATOM 0 HA ARG A 24 -7.106 11.765 8.197 1.00 0.71 H new ATOM 0 HB2 ARG A 24 -9.036 10.605 7.001 1.00 0.77 H new ATOM 0 HB3 ARG A 24 -8.371 9.079 7.548 1.00 0.77 H new ATOM 0 HG2 ARG A 24 -8.757 11.203 9.633 1.00 0.90 H new ATOM 0 HG3 ARG A 24 -10.209 10.482 8.969 1.00 0.90 H new ATOM 0 HD2 ARG A 24 -9.835 8.458 9.990 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -8.112 8.497 9.671 1.00 1.67 H new ATOM 0 HE ARG A 24 -8.174 10.354 11.573 1.00 2.70 H new ATOM 0 HH11 ARG A 24 -9.970 7.298 11.504 1.00 3.48 H new ATOM 0 HH12 ARG A 24 -10.058 7.189 13.265 1.00 3.48 H new ATOM 0 HH21 ARG A 24 -8.305 10.211 13.819 1.00 4.51 H new ATOM 0 HH22 ARG A 24 -9.117 8.835 14.573 1.00 4.51 H new ATOM 393 N ASP A 25 -5.076 9.307 8.224 1.00 0.50 N ATOM 394 CA ASP A 25 -4.103 8.647 9.080 1.00 0.57 C ATOM 395 C ASP A 25 -2.711 9.231 8.864 1.00 0.49 C ATOM 396 O ASP A 25 -2.059 9.021 7.841 1.00 0.42 O ATOM 397 CB ASP A 25 -4.098 7.128 8.898 1.00 0.81 C ATOM 398 CG ASP A 25 -3.365 6.462 10.069 1.00 2.26 C ATOM 399 OD1 ASP A 25 -2.703 7.196 10.846 1.00 3.55 O ATOM 400 OD2 ASP A 25 -3.477 5.229 10.202 1.00 2.85 O ATOM 0 H ASP A 25 -4.940 9.145 7.226 1.00 0.50 H new ATOM 0 HA ASP A 25 -4.403 8.836 10.111 1.00 0.57 H new ATOM 0 HB2 ASP A 25 -5.121 6.757 8.840 1.00 0.81 H new ATOM 0 HB3 ASP A 25 -3.611 6.868 7.958 1.00 0.81 H new ATOM 405 N LYS A 26 -2.226 9.925 9.893 1.00 0.54 N ATOM 406 CA LYS A 26 -0.873 10.467 9.972 1.00 0.55 C ATOM 407 C LYS A 26 0.201 9.434 9.616 1.00 0.53 C ATOM 408 O LYS A 26 1.258 9.809 9.124 1.00 0.52 O ATOM 409 CB LYS A 26 -0.603 11.102 11.349 1.00 0.65 C ATOM 410 CG LYS A 26 -0.569 10.118 12.535 1.00 1.91 C ATOM 411 CD LYS A 26 -1.925 9.950 13.234 1.00 2.46 C ATOM 412 CE LYS A 26 -1.929 8.721 14.151 1.00 3.83 C ATOM 413 NZ LYS A 26 -1.991 7.454 13.385 1.00 5.32 N ATOM 0 H LYS A 26 -2.784 10.131 10.721 1.00 0.54 H new ATOM 0 HA LYS A 26 -0.810 11.252 9.219 1.00 0.55 H new ATOM 0 HB2 LYS A 26 0.351 11.627 11.307 1.00 0.65 H new ATOM 0 HB3 LYS A 26 -1.371 11.851 11.542 1.00 0.65 H new ATOM 0 HG2 LYS A 26 -0.230 9.145 12.179 1.00 1.91 H new ATOM 0 HG3 LYS A 26 0.165 10.465 13.263 1.00 1.91 H new ATOM 0 HD2 LYS A 26 -2.149 10.843 13.818 1.00 2.46 H new ATOM 0 HD3 LYS A 26 -2.712 9.852 12.487 1.00 2.46 H new ATOM 0 HE2 LYS A 26 -1.031 8.727 14.769 1.00 3.83 H new ATOM 0 HE3 LYS A 26 -2.782 8.777 14.828 1.00 3.83 H new ATOM 0 HZ1 LYS A 26 -2.724 6.838 13.791 1.00 5.32 H new ATOM 0 HZ2 LYS A 26 -2.223 7.660 12.392 1.00 5.32 H new ATOM 0 HZ3 LYS A 26 -1.070 6.974 13.433 1.00 5.32 H new ATOM 427 N PHE A 27 -0.055 8.150 9.859 1.00 0.56 N ATOM 428 CA PHE A 27 0.839 7.051 9.542 1.00 0.58 C ATOM 429 C PHE A 27 1.115 7.036 8.047 1.00 0.51 C ATOM 430 O PHE A 27 2.264 7.042 7.616 1.00 0.52 O ATOM 431 CB PHE A 27 0.168 5.751 10.003 1.00 0.63 C ATOM 432 CG PHE A 27 1.034 4.513 9.934 1.00 0.64 C ATOM 433 CD1 PHE A 27 2.324 4.531 10.492 1.00 2.27 C ATOM 434 CD2 PHE A 27 0.535 3.324 9.366 1.00 1.52 C ATOM 435 CE1 PHE A 27 3.109 3.370 10.491 1.00 2.28 C ATOM 436 CE2 PHE A 27 1.320 2.158 9.370 1.00 1.51 C ATOM 437 CZ PHE A 27 2.604 2.180 9.940 1.00 0.69 C ATOM 0 H PHE A 27 -0.923 7.841 10.298 1.00 0.56 H new ATOM 0 HA PHE A 27 1.796 7.161 10.052 1.00 0.58 H new ATOM 0 HB2 PHE A 27 -0.169 5.881 11.031 1.00 0.63 H new ATOM 0 HB3 PHE A 27 -0.721 5.586 9.395 1.00 0.63 H new ATOM 0 HD1 PHE A 27 2.711 5.442 10.923 1.00 2.27 H new ATOM 0 HD2 PHE A 27 -0.452 3.309 8.927 1.00 1.52 H new ATOM 0 HE1 PHE A 27 4.103 3.390 10.914 1.00 2.28 H new ATOM 0 HE2 PHE A 27 0.937 1.247 8.936 1.00 1.51 H new ATOM 0 HZ PHE A 27 3.203 1.282 9.955 1.00 0.69 H new ATOM 447 N LEU A 28 0.054 7.057 7.244 1.00 0.47 N ATOM 448 CA LEU A 28 0.216 7.072 5.802 1.00 0.43 C ATOM 449 C LEU A 28 0.845 8.380 5.382 1.00 0.41 C ATOM 450 O LEU A 28 1.747 8.384 4.562 1.00 0.43 O ATOM 451 CB LEU A 28 -1.130 6.917 5.106 1.00 0.42 C ATOM 452 CG LEU A 28 -1.619 5.473 5.258 1.00 0.54 C ATOM 453 CD1 LEU A 28 -3.155 5.425 5.315 1.00 0.48 C ATOM 454 CD2 LEU A 28 -1.031 4.645 4.101 1.00 1.01 C ATOM 0 H LEU A 28 -0.914 7.064 7.567 1.00 0.47 H new ATOM 0 HA LEU A 28 0.857 6.238 5.516 1.00 0.43 H new ATOM 0 HB2 LEU A 28 -1.856 7.606 5.538 1.00 0.42 H new ATOM 0 HB3 LEU A 28 -1.037 7.172 4.050 1.00 0.42 H new ATOM 0 HG LEU A 28 -1.275 5.042 6.198 1.00 0.54 H new ATOM 0 HD11 LEU A 28 -3.483 4.391 5.423 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -3.506 6.008 6.167 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -3.566 5.842 4.396 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -1.365 3.611 4.187 1.00 1.01 H new ATOM 0 HD22 LEU A 28 -1.368 5.058 3.150 1.00 1.01 H new ATOM 0 HD23 LEU A 28 0.058 4.679 4.146 1.00 1.01 H new ATOM 466 N ARG A 29 0.357 9.494 5.921 1.00 0.48 N ATOM 467 CA ARG A 29 0.804 10.832 5.563 1.00 0.48 C ATOM 468 C ARG A 29 2.286 11.015 5.839 1.00 0.49 C ATOM 469 O ARG A 29 2.912 11.794 5.137 1.00 0.48 O ATOM 470 CB ARG A 29 -0.026 11.902 6.272 1.00 0.58 C ATOM 471 CG ARG A 29 -1.480 11.820 5.800 1.00 1.36 C ATOM 472 CD ARG A 29 -2.426 12.565 6.736 1.00 1.97 C ATOM 473 NE ARG A 29 -2.390 14.023 6.542 1.00 2.22 N ATOM 474 CZ ARG A 29 -3.112 14.895 7.259 1.00 3.23 C ATOM 475 NH1 ARG A 29 -4.008 14.455 8.139 1.00 4.33 N ATOM 476 NH2 ARG A 29 -2.940 16.207 7.099 1.00 3.66 N ATOM 0 H ARG A 29 -0.374 9.489 6.632 1.00 0.48 H new ATOM 0 HA ARG A 29 0.653 10.951 4.490 1.00 0.48 H new ATOM 0 HB2 ARG A 29 0.025 11.760 7.352 1.00 0.58 H new ATOM 0 HB3 ARG A 29 0.380 12.891 6.061 1.00 0.58 H new ATOM 0 HG2 ARG A 29 -1.560 12.237 4.796 1.00 1.36 H new ATOM 0 HG3 ARG A 29 -1.782 10.775 5.736 1.00 1.36 H new ATOM 0 HD2 ARG A 29 -3.443 12.207 6.577 1.00 1.97 H new ATOM 0 HD3 ARG A 29 -2.164 12.334 7.769 1.00 1.97 H new ATOM 0 HE ARG A 29 -1.777 14.393 5.816 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -4.146 13.453 8.269 1.00 4.33 H new ATOM 0 HH12 ARG A 29 -4.557 15.120 8.684 1.00 4.33 H new ATOM 0 HH21 ARG A 29 -2.255 16.553 6.427 1.00 3.66 H new ATOM 0 HH22 ARG A 29 -3.493 16.865 7.648 1.00 3.66 H new ATOM 490 N SER A 30 2.856 10.321 6.822 1.00 0.55 N ATOM 491 CA SER A 30 4.292 10.351 7.054 1.00 0.64 C ATOM 492 C SER A 30 5.020 9.881 5.804 1.00 0.61 C ATOM 493 O SER A 30 5.895 10.571 5.284 1.00 0.72 O ATOM 494 CB SER A 30 4.612 9.457 8.263 1.00 0.76 C ATOM 495 OG SER A 30 5.999 9.272 8.447 1.00 2.14 O ATOM 0 H SER A 30 2.339 9.729 7.472 1.00 0.55 H new ATOM 0 HA SER A 30 4.626 11.366 7.271 1.00 0.64 H new ATOM 0 HB2 SER A 30 4.186 9.902 9.162 1.00 0.76 H new ATOM 0 HB3 SER A 30 4.134 8.487 8.130 1.00 0.76 H new ATOM 0 HG SER A 30 6.280 8.444 8.005 1.00 2.14 H new ATOM 501 N GLU A 31 4.665 8.704 5.302 1.00 0.55 N ATOM 502 CA GLU A 31 5.445 8.130 4.219 1.00 0.56 C ATOM 503 C GLU A 31 5.092 8.838 2.914 1.00 0.49 C ATOM 504 O GLU A 31 5.967 9.156 2.111 1.00 0.60 O ATOM 505 CB GLU A 31 5.210 6.616 4.186 1.00 0.56 C ATOM 506 CG GLU A 31 6.397 5.855 4.793 1.00 1.13 C ATOM 507 CD GLU A 31 6.925 6.470 6.098 1.00 1.82 C ATOM 508 OE1 GLU A 31 6.104 6.820 6.976 1.00 2.72 O ATOM 509 OE2 GLU A 31 8.161 6.633 6.180 1.00 2.50 O ATOM 0 H GLU A 31 3.870 8.147 5.615 1.00 0.55 H new ATOM 0 HA GLU A 31 6.514 8.280 4.371 1.00 0.56 H new ATOM 0 HB2 GLU A 31 4.301 6.375 4.736 1.00 0.56 H new ATOM 0 HB3 GLU A 31 5.055 6.292 3.157 1.00 0.56 H new ATOM 0 HG2 GLU A 31 6.097 4.824 4.983 1.00 1.13 H new ATOM 0 HG3 GLU A 31 7.207 5.822 4.064 1.00 1.13 H new ATOM 516 N ALA A 32 3.812 9.161 2.743 1.00 0.36 N ATOM 517 CA ALA A 32 3.300 9.897 1.607 1.00 0.32 C ATOM 518 C ALA A 32 3.960 11.274 1.527 1.00 0.38 C ATOM 519 O ALA A 32 4.235 11.760 0.434 1.00 0.49 O ATOM 520 CB ALA A 32 1.782 9.980 1.748 1.00 0.30 C ATOM 0 H ALA A 32 3.088 8.907 3.415 1.00 0.36 H new ATOM 0 HA ALA A 32 3.537 9.391 0.671 1.00 0.32 H new ATOM 0 HB1 ALA A 32 1.368 10.531 0.904 1.00 0.30 H new ATOM 0 HB2 ALA A 32 1.363 8.974 1.766 1.00 0.30 H new ATOM 0 HB3 ALA A 32 1.530 10.494 2.675 1.00 0.30 H new ATOM 526 N ALA A 33 4.285 11.886 2.672 1.00 0.40 N ATOM 527 CA ALA A 33 4.945 13.182 2.738 1.00 0.49 C ATOM 528 C ALA A 33 6.337 13.169 2.102 1.00 0.64 C ATOM 529 O ALA A 33 6.910 14.236 1.892 1.00 0.88 O ATOM 530 CB ALA A 33 4.999 13.685 4.190 1.00 0.57 C ATOM 0 H ALA A 33 4.091 11.483 3.589 1.00 0.40 H new ATOM 0 HA ALA A 33 4.347 13.878 2.150 1.00 0.49 H new ATOM 0 HB1 ALA A 33 5.496 14.655 4.221 1.00 0.57 H new ATOM 0 HB2 ALA A 33 3.985 13.784 4.579 1.00 0.57 H new ATOM 0 HB3 ALA A 33 5.554 12.973 4.801 1.00 0.57 H new ATOM 536 N LYS A 34 6.890 12.007 1.732 1.00 0.59 N ATOM 537 CA LYS A 34 8.164 11.978 1.029 1.00 0.71 C ATOM 538 C LYS A 34 7.990 12.222 -0.472 1.00 0.76 C ATOM 539 O LYS A 34 8.998 12.417 -1.140 1.00 1.02 O ATOM 540 CB LYS A 34 8.910 10.663 1.322 1.00 0.62 C ATOM 541 CG LYS A 34 10.148 10.931 2.186 1.00 1.04 C ATOM 542 CD LYS A 34 9.762 11.366 3.608 1.00 1.29 C ATOM 543 CE LYS A 34 10.857 12.238 4.231 1.00 2.47 C ATOM 544 NZ LYS A 34 12.137 11.512 4.379 1.00 3.48 N ATOM 0 H LYS A 34 6.477 11.091 1.908 1.00 0.59 H new ATOM 0 HA LYS A 34 8.777 12.798 1.403 1.00 0.71 H new ATOM 0 HB2 LYS A 34 8.245 9.967 1.834 1.00 0.62 H new ATOM 0 HB3 LYS A 34 9.207 10.190 0.386 1.00 0.62 H new ATOM 0 HG2 LYS A 34 10.761 10.031 2.234 1.00 1.04 H new ATOM 0 HG3 LYS A 34 10.756 11.706 1.720 1.00 1.04 H new ATOM 0 HD2 LYS A 34 8.823 11.919 3.581 1.00 1.29 H new ATOM 0 HD3 LYS A 34 9.596 10.486 4.229 1.00 1.29 H new ATOM 0 HE2 LYS A 34 11.012 13.121 3.611 1.00 2.47 H new ATOM 0 HE3 LYS A 34 10.526 12.590 5.208 1.00 2.47 H new ATOM 0 HZ1 LYS A 34 12.816 12.107 4.896 1.00 3.48 H new ATOM 0 HZ2 LYS A 34 11.977 10.630 4.907 1.00 3.48 H new ATOM 0 HZ3 LYS A 34 12.520 11.287 3.438 1.00 3.48 H new ATOM 558 N ASN A 35 6.758 12.250 -1.002 1.00 0.68 N ATOM 559 CA ASN A 35 6.408 12.799 -2.318 1.00 0.77 C ATOM 560 C ASN A 35 4.896 12.803 -2.513 1.00 0.70 C ATOM 561 O ASN A 35 4.398 12.066 -3.357 1.00 0.76 O ATOM 562 CB ASN A 35 7.106 12.042 -3.470 1.00 0.96 C ATOM 563 CG ASN A 35 8.427 12.669 -3.889 1.00 0.90 C ATOM 564 OD1 ASN A 35 8.515 13.880 -4.049 1.00 1.89 O ATOM 565 ND2 ASN A 35 9.449 11.861 -4.147 1.00 1.69 N ATOM 0 H ASN A 35 5.949 11.877 -0.506 1.00 0.68 H new ATOM 0 HA ASN A 35 6.768 13.827 -2.345 1.00 0.77 H new ATOM 0 HB2 ASN A 35 7.282 11.011 -3.164 1.00 0.96 H new ATOM 0 HB3 ASN A 35 6.438 12.009 -4.331 1.00 0.96 H new ATOM 0 HD21 ASN A 35 10.331 12.246 -4.486 1.00 1.69 H new ATOM 0 HD22 ASN A 35 9.352 10.855 -4.006 1.00 1.69 H new ATOM 572 N VAL A 36 4.179 13.679 -1.802 1.00 0.70 N ATOM 573 CA VAL A 36 2.730 13.866 -1.860 1.00 0.70 C ATOM 574 C VAL A 36 1.999 12.607 -1.390 1.00 0.58 C ATOM 575 O VAL A 36 1.459 12.596 -0.288 1.00 0.52 O ATOM 576 CB VAL A 36 2.330 14.398 -3.248 1.00 0.87 C ATOM 577 CG1 VAL A 36 0.817 14.402 -3.479 1.00 0.99 C ATOM 578 CG2 VAL A 36 2.853 15.829 -3.418 1.00 0.87 C ATOM 0 H VAL A 36 4.621 14.311 -1.134 1.00 0.70 H new ATOM 0 HA VAL A 36 2.409 14.634 -1.156 1.00 0.70 H new ATOM 0 HB VAL A 36 2.773 13.723 -3.980 1.00 0.87 H new ATOM 0 HG11 VAL A 36 0.602 14.788 -4.475 1.00 0.99 H new ATOM 0 HG12 VAL A 36 0.433 13.385 -3.393 1.00 0.99 H new ATOM 0 HG13 VAL A 36 0.337 15.035 -2.733 1.00 0.99 H new ATOM 0 HG21 VAL A 36 2.570 16.206 -4.401 1.00 0.87 H new ATOM 0 HG22 VAL A 36 2.423 16.468 -2.647 1.00 0.87 H new ATOM 0 HG23 VAL A 36 3.939 15.833 -3.327 1.00 0.87 H new ATOM 588 N ASP A 37 1.978 11.568 -2.222 1.00 0.59 N ATOM 589 CA ASP A 37 1.511 10.227 -1.987 1.00 0.50 C ATOM 590 C ASP A 37 2.036 9.264 -3.069 1.00 0.51 C ATOM 591 O ASP A 37 1.380 8.307 -3.482 1.00 0.59 O ATOM 592 CB ASP A 37 -0.003 10.228 -1.856 1.00 0.68 C ATOM 593 CG ASP A 37 -0.849 10.845 -2.968 1.00 2.09 C ATOM 594 OD1 ASP A 37 -0.421 10.842 -4.139 1.00 3.33 O ATOM 595 OD2 ASP A 37 -1.994 11.259 -2.651 1.00 3.37 O ATOM 0 H ASP A 37 2.327 11.669 -3.175 1.00 0.59 H new ATOM 0 HA ASP A 37 1.912 9.855 -1.044 1.00 0.50 H new ATOM 0 HB2 ASP A 37 -0.322 9.193 -1.738 1.00 0.68 H new ATOM 0 HB3 ASP A 37 -0.251 10.746 -0.930 1.00 0.68 H new ATOM 600 N ASN A 38 3.290 9.488 -3.471 1.00 0.50 N ATOM 601 CA ASN A 38 4.041 8.665 -4.413 1.00 0.50 C ATOM 602 C ASN A 38 5.080 7.805 -3.696 1.00 0.47 C ATOM 603 O ASN A 38 5.808 7.054 -4.342 1.00 0.55 O ATOM 604 CB ASN A 38 4.778 9.541 -5.432 1.00 0.52 C ATOM 605 CG ASN A 38 3.841 10.380 -6.286 1.00 1.20 C ATOM 606 OD1 ASN A 38 2.886 9.860 -6.845 1.00 2.18 O ATOM 607 ND2 ASN A 38 4.122 11.667 -6.435 1.00 1.78 N ATOM 0 H ASN A 38 3.830 10.284 -3.132 1.00 0.50 H new ATOM 0 HA ASN A 38 3.318 8.024 -4.917 1.00 0.50 H new ATOM 0 HB2 ASN A 38 5.467 10.200 -4.904 1.00 0.52 H new ATOM 0 HB3 ASN A 38 5.380 8.905 -6.081 1.00 0.52 H new ATOM 0 HD21 ASN A 38 3.534 12.252 -7.029 1.00 1.78 H new ATOM 0 HD22 ASN A 38 4.926 12.072 -5.955 1.00 1.78 H new ATOM 614 N TYR A 39 5.215 7.966 -2.380 1.00 0.57 N ATOM 615 CA TYR A 39 6.158 7.231 -1.562 1.00 0.63 C ATOM 616 C TYR A 39 5.334 6.599 -0.461 1.00 0.67 C ATOM 617 O TYR A 39 4.646 7.298 0.274 1.00 0.85 O ATOM 618 CB TYR A 39 7.249 8.158 -1.006 1.00 0.81 C ATOM 619 CG TYR A 39 8.573 8.077 -1.745 1.00 1.06 C ATOM 620 CD1 TYR A 39 8.646 8.383 -3.118 1.00 2.33 C ATOM 621 CD2 TYR A 39 9.736 7.677 -1.058 1.00 2.17 C ATOM 622 CE1 TYR A 39 9.876 8.308 -3.797 1.00 2.77 C ATOM 623 CE2 TYR A 39 10.970 7.600 -1.729 1.00 2.54 C ATOM 624 CZ TYR A 39 11.043 7.920 -3.104 1.00 2.24 C ATOM 625 OH TYR A 39 12.228 7.855 -3.774 1.00 2.89 O ATOM 0 H TYR A 39 4.654 8.630 -1.847 1.00 0.57 H new ATOM 0 HA TYR A 39 6.689 6.472 -2.137 1.00 0.63 H new ATOM 0 HB2 TYR A 39 6.889 9.186 -1.041 1.00 0.81 H new ATOM 0 HB3 TYR A 39 7.416 7.915 0.043 1.00 0.81 H new ATOM 0 HD1 TYR A 39 7.754 8.676 -3.652 1.00 2.33 H new ATOM 0 HD2 TYR A 39 9.680 7.428 -0.009 1.00 2.17 H new ATOM 0 HE1 TYR A 39 9.927 8.547 -4.849 1.00 2.77 H new ATOM 0 HE2 TYR A 39 11.859 7.297 -1.195 1.00 2.54 H new ATOM 0 HH TYR A 39 12.937 7.574 -3.158 1.00 2.89 H new ATOM 635 N ILE A 40 5.324 5.271 -0.396 1.00 0.55 N ATOM 636 CA ILE A 40 4.653 4.551 0.666 1.00 0.53 C ATOM 637 C ILE A 40 5.565 3.370 0.960 1.00 0.43 C ATOM 638 O ILE A 40 5.723 2.512 0.093 1.00 0.29 O ATOM 639 CB ILE A 40 3.224 4.124 0.272 1.00 0.55 C ATOM 640 CG1 ILE A 40 2.447 5.214 -0.505 1.00 0.65 C ATOM 641 CG2 ILE A 40 2.482 3.763 1.568 1.00 0.61 C ATOM 642 CD1 ILE A 40 1.192 4.709 -1.222 1.00 0.72 C ATOM 0 H ILE A 40 5.782 4.670 -1.081 1.00 0.55 H new ATOM 0 HA ILE A 40 4.501 5.169 1.551 1.00 0.53 H new ATOM 0 HB ILE A 40 3.291 3.274 -0.408 1.00 0.55 H new ATOM 0 HG12 ILE A 40 2.160 6.003 0.190 1.00 0.65 H new ATOM 0 HG13 ILE A 40 3.114 5.664 -1.240 1.00 0.65 H new ATOM 0 HG21 ILE A 40 1.464 3.455 1.331 1.00 0.61 H new ATOM 0 HG22 ILE A 40 3.001 2.946 2.069 1.00 0.61 H new ATOM 0 HG23 ILE A 40 2.454 4.632 2.225 1.00 0.61 H new ATOM 0 HD11 ILE A 40 0.710 5.538 -1.740 1.00 0.72 H new ATOM 0 HD12 ILE A 40 1.470 3.942 -1.945 1.00 0.72 H new ATOM 0 HD13 ILE A 40 0.501 4.287 -0.492 1.00 0.72 H new ATOM 654 N SER A 41 6.226 3.349 2.118 1.00 0.53 N ATOM 655 CA SER A 41 7.148 2.267 2.389 1.00 0.45 C ATOM 656 C SER A 41 6.338 0.997 2.610 1.00 0.38 C ATOM 657 O SER A 41 5.305 1.017 3.287 1.00 0.40 O ATOM 658 CB SER A 41 8.050 2.593 3.585 1.00 0.47 C ATOM 659 OG SER A 41 9.362 2.158 3.290 1.00 1.13 O ATOM 0 H SER A 41 6.140 4.048 2.856 1.00 0.53 H new ATOM 0 HA SER A 41 7.816 2.122 1.540 1.00 0.45 H new ATOM 0 HB2 SER A 41 8.042 3.665 3.784 1.00 0.47 H new ATOM 0 HB3 SER A 41 7.680 2.099 4.484 1.00 0.47 H new ATOM 0 HG SER A 41 9.576 1.371 3.834 1.00 1.13 H new ATOM 665 N ILE A 42 6.831 -0.129 2.094 1.00 0.34 N ATOM 666 CA ILE A 42 6.261 -1.432 2.401 1.00 0.32 C ATOM 667 C ILE A 42 6.285 -1.695 3.906 1.00 0.35 C ATOM 668 O ILE A 42 5.570 -2.568 4.369 1.00 0.39 O ATOM 669 CB ILE A 42 6.935 -2.539 1.574 1.00 0.32 C ATOM 670 CG1 ILE A 42 6.275 -3.905 1.810 1.00 2.06 C ATOM 671 CG2 ILE A 42 8.447 -2.617 1.854 1.00 2.07 C ATOM 672 CD1 ILE A 42 6.515 -4.839 0.622 1.00 2.89 C ATOM 0 H ILE A 42 7.628 -0.160 1.459 1.00 0.34 H new ATOM 0 HA ILE A 42 5.211 -1.436 2.108 1.00 0.32 H new ATOM 0 HB ILE A 42 6.798 -2.275 0.525 1.00 0.32 H new ATOM 0 HG12 ILE A 42 6.676 -4.355 2.718 1.00 2.06 H new ATOM 0 HG13 ILE A 42 5.204 -3.774 1.965 1.00 2.06 H new ATOM 0 HG21 ILE A 42 8.888 -3.411 1.251 1.00 2.07 H new ATOM 0 HG22 ILE A 42 8.914 -1.666 1.599 1.00 2.07 H new ATOM 0 HG23 ILE A 42 8.611 -2.830 2.910 1.00 2.07 H new ATOM 0 HD11 ILE A 42 6.038 -5.800 0.813 1.00 2.89 H new ATOM 0 HD12 ILE A 42 6.092 -4.397 -0.280 1.00 2.89 H new ATOM 0 HD13 ILE A 42 7.586 -4.986 0.486 1.00 2.89 H new ATOM 684 N ASP A 43 7.049 -0.937 4.690 1.00 0.38 N ATOM 685 CA ASP A 43 7.034 -1.033 6.143 1.00 0.42 C ATOM 686 C ASP A 43 5.686 -0.577 6.698 1.00 0.42 C ATOM 687 O ASP A 43 5.131 -1.225 7.579 1.00 0.45 O ATOM 688 CB ASP A 43 8.167 -0.195 6.747 1.00 0.47 C ATOM 689 CG ASP A 43 9.511 -0.540 6.112 1.00 1.01 C ATOM 690 OD1 ASP A 43 9.727 -0.038 4.984 1.00 2.22 O ATOM 691 OD2 ASP A 43 10.273 -1.312 6.728 1.00 1.80 O ATOM 0 H ASP A 43 7.698 -0.237 4.331 1.00 0.38 H new ATOM 0 HA ASP A 43 7.187 -2.077 6.418 1.00 0.42 H new ATOM 0 HB2 ASP A 43 7.955 0.864 6.603 1.00 0.47 H new ATOM 0 HB3 ASP A 43 8.216 -0.367 7.822 1.00 0.47 H new ATOM 696 N VAL A 44 5.138 0.534 6.197 1.00 0.40 N ATOM 697 CA VAL A 44 3.875 1.082 6.643 1.00 0.41 C ATOM 698 C VAL A 44 2.782 0.076 6.302 1.00 0.42 C ATOM 699 O VAL A 44 1.999 -0.320 7.162 1.00 0.40 O ATOM 700 CB VAL A 44 3.689 2.469 5.987 1.00 0.41 C ATOM 701 CG1 VAL A 44 2.240 2.806 5.656 1.00 0.50 C ATOM 702 CG2 VAL A 44 4.260 3.556 6.897 1.00 0.45 C ATOM 0 H VAL A 44 5.577 1.081 5.456 1.00 0.40 H new ATOM 0 HA VAL A 44 3.835 1.241 7.721 1.00 0.41 H new ATOM 0 HB VAL A 44 4.228 2.428 5.040 1.00 0.41 H new ATOM 0 HG11 VAL A 44 2.192 3.794 5.199 1.00 0.50 H new ATOM 0 HG12 VAL A 44 1.844 2.065 4.962 1.00 0.50 H new ATOM 0 HG13 VAL A 44 1.647 2.800 6.571 1.00 0.50 H new ATOM 0 HG21 VAL A 44 4.125 4.531 6.428 1.00 0.45 H new ATOM 0 HG22 VAL A 44 3.740 3.539 7.855 1.00 0.45 H new ATOM 0 HG23 VAL A 44 5.323 3.375 7.058 1.00 0.45 H new ATOM 712 N ILE A 45 2.743 -0.365 5.045 1.00 0.46 N ATOM 713 CA ILE A 45 1.678 -1.232 4.569 1.00 0.50 C ATOM 714 C ILE A 45 1.796 -2.599 5.242 1.00 0.48 C ATOM 715 O ILE A 45 0.802 -3.178 5.660 1.00 0.58 O ATOM 716 CB ILE A 45 1.741 -1.327 3.033 1.00 0.57 C ATOM 717 CG1 ILE A 45 1.806 0.037 2.305 1.00 0.68 C ATOM 718 CG2 ILE A 45 0.515 -2.063 2.483 1.00 0.60 C ATOM 719 CD1 ILE A 45 2.691 -0.025 1.054 1.00 0.57 C ATOM 0 H ILE A 45 3.442 -0.132 4.339 1.00 0.46 H new ATOM 0 HA ILE A 45 0.704 -0.820 4.832 1.00 0.50 H new ATOM 0 HB ILE A 45 2.669 -1.864 2.838 1.00 0.57 H new ATOM 0 HG12 ILE A 45 0.800 0.346 2.023 1.00 0.68 H new ATOM 0 HG13 ILE A 45 2.193 0.794 2.987 1.00 0.68 H new ATOM 0 HG21 ILE A 45 0.581 -2.118 1.396 1.00 0.60 H new ATOM 0 HG22 ILE A 45 0.480 -3.071 2.896 1.00 0.60 H new ATOM 0 HG23 ILE A 45 -0.390 -1.524 2.765 1.00 0.60 H new ATOM 0 HD11 ILE A 45 2.710 0.953 0.573 1.00 0.57 H new ATOM 0 HD12 ILE A 45 3.704 -0.309 1.339 1.00 0.57 H new ATOM 0 HD13 ILE A 45 2.289 -0.763 0.360 1.00 0.57 H new ATOM 731 N ALA A 46 3.004 -3.129 5.395 1.00 0.42 N ATOM 732 CA ALA A 46 3.199 -4.379 6.108 1.00 0.43 C ATOM 733 C ALA A 46 2.832 -4.216 7.580 1.00 0.41 C ATOM 734 O ALA A 46 2.448 -5.189 8.221 1.00 0.52 O ATOM 735 CB ALA A 46 4.644 -4.864 5.979 1.00 0.42 C ATOM 0 H ALA A 46 3.861 -2.710 5.034 1.00 0.42 H new ATOM 0 HA ALA A 46 2.544 -5.127 5.660 1.00 0.43 H new ATOM 0 HB1 ALA A 46 4.763 -5.802 6.522 1.00 0.42 H new ATOM 0 HB2 ALA A 46 4.883 -5.021 4.927 1.00 0.42 H new ATOM 0 HB3 ALA A 46 5.318 -4.115 6.396 1.00 0.42 H new ATOM 741 N SER A 47 2.949 -3.002 8.124 1.00 0.39 N ATOM 742 CA SER A 47 2.663 -2.735 9.524 1.00 0.39 C ATOM 743 C SER A 47 1.264 -2.124 9.695 1.00 0.43 C ATOM 744 O SER A 47 0.918 -1.645 10.771 1.00 0.54 O ATOM 745 CB SER A 47 3.782 -1.855 10.087 1.00 0.41 C ATOM 746 OG SER A 47 3.809 -1.893 11.499 1.00 0.63 O ATOM 0 H SER A 47 3.246 -2.179 7.600 1.00 0.39 H new ATOM 0 HA SER A 47 2.643 -3.664 10.094 1.00 0.39 H new ATOM 0 HB2 SER A 47 4.742 -2.190 9.694 1.00 0.41 H new ATOM 0 HB3 SER A 47 3.642 -0.827 9.752 1.00 0.41 H new ATOM 0 HG SER A 47 2.895 -1.828 11.846 1.00 0.63 H new ATOM 752 N PHE A 48 0.383 -2.221 8.691 1.00 0.44 N ATOM 753 CA PHE A 48 -0.991 -1.723 8.805 1.00 0.53 C ATOM 754 C PHE A 48 -1.883 -2.548 9.755 1.00 0.60 C ATOM 755 O PHE A 48 -3.105 -2.410 9.703 1.00 0.91 O ATOM 756 CB PHE A 48 -1.629 -1.680 7.401 1.00 0.58 C ATOM 757 CG PHE A 48 -1.829 -0.334 6.766 1.00 0.49 C ATOM 758 CD1 PHE A 48 -2.252 0.783 7.510 1.00 2.18 C ATOM 759 CD2 PHE A 48 -1.683 -0.250 5.371 1.00 1.69 C ATOM 760 CE1 PHE A 48 -2.518 1.989 6.848 1.00 2.18 C ATOM 761 CE2 PHE A 48 -1.923 0.957 4.712 1.00 1.77 C ATOM 762 CZ PHE A 48 -2.366 2.058 5.452 1.00 0.70 C ATOM 0 H PHE A 48 0.600 -2.642 7.788 1.00 0.44 H new ATOM 0 HA PHE A 48 -0.927 -0.727 9.243 1.00 0.53 H new ATOM 0 HB2 PHE A 48 -1.009 -2.277 6.733 1.00 0.58 H new ATOM 0 HB3 PHE A 48 -2.600 -2.171 7.459 1.00 0.58 H new ATOM 0 HD1 PHE A 48 -2.371 0.711 8.581 1.00 2.18 H new ATOM 0 HD2 PHE A 48 -1.384 -1.121 4.807 1.00 1.69 H new ATOM 0 HE1 PHE A 48 -2.837 2.858 7.405 1.00 2.18 H new ATOM 0 HE2 PHE A 48 -1.769 1.039 3.646 1.00 1.77 H new ATOM 0 HZ PHE A 48 -2.596 2.981 4.940 1.00 0.70 H new ATOM 772 N ASN A 49 -1.328 -3.409 10.619 1.00 0.67 N ATOM 773 CA ASN A 49 -2.045 -4.395 11.426 1.00 0.72 C ATOM 774 C ASN A 49 -2.919 -5.301 10.570 1.00 0.76 C ATOM 775 O ASN A 49 -2.488 -6.396 10.227 1.00 0.69 O ATOM 776 CB ASN A 49 -2.829 -3.749 12.580 1.00 0.84 C ATOM 777 CG ASN A 49 -1.948 -3.588 13.811 1.00 1.69 C ATOM 778 OD1 ASN A 49 -1.292 -4.533 14.228 1.00 1.97 O ATOM 779 ND2 ASN A 49 -1.917 -2.413 14.422 1.00 2.91 N ATOM 0 H ASN A 49 -0.321 -3.435 10.779 1.00 0.67 H new ATOM 0 HA ASN A 49 -1.290 -5.030 11.889 1.00 0.72 H new ATOM 0 HB2 ASN A 49 -3.207 -2.775 12.268 1.00 0.84 H new ATOM 0 HB3 ASN A 49 -3.695 -4.363 12.825 1.00 0.84 H new ATOM 0 HD21 ASN A 49 -1.340 -2.286 15.253 1.00 2.91 H new ATOM 0 HD22 ASN A 49 -2.470 -1.636 14.061 1.00 2.91 H new ATOM 786 N ARG A 50 -4.128 -4.861 10.206 1.00 0.96 N ATOM 787 CA ARG A 50 -5.068 -5.660 9.426 1.00 1.07 C ATOM 788 C ARG A 50 -4.401 -6.209 8.167 1.00 0.95 C ATOM 789 O ARG A 50 -4.657 -7.342 7.779 1.00 0.95 O ATOM 790 CB ARG A 50 -6.348 -4.860 9.125 1.00 1.38 C ATOM 791 CG ARG A 50 -6.138 -3.838 8.001 1.00 1.75 C ATOM 792 CD ARG A 50 -7.333 -2.921 7.738 1.00 1.67 C ATOM 793 NE ARG A 50 -7.580 -1.997 8.855 1.00 3.52 N ATOM 794 CZ ARG A 50 -8.490 -2.149 9.825 1.00 3.91 C ATOM 795 NH1 ARG A 50 -9.280 -3.224 9.853 1.00 3.37 N ATOM 796 NH2 ARG A 50 -8.600 -1.225 10.780 1.00 5.65 N ATOM 0 H ARG A 50 -4.480 -3.935 10.448 1.00 0.96 H new ATOM 0 HA ARG A 50 -5.372 -6.523 10.018 1.00 1.07 H new ATOM 0 HB2 ARG A 50 -7.147 -5.547 8.845 1.00 1.38 H new ATOM 0 HB3 ARG A 50 -6.673 -4.343 10.028 1.00 1.38 H new ATOM 0 HG2 ARG A 50 -5.272 -3.223 8.246 1.00 1.75 H new ATOM 0 HG3 ARG A 50 -5.899 -4.373 7.082 1.00 1.75 H new ATOM 0 HD2 ARG A 50 -7.156 -2.349 6.827 1.00 1.67 H new ATOM 0 HD3 ARG A 50 -8.223 -3.527 7.566 1.00 1.67 H new ATOM 0 HE ARG A 50 -7.001 -1.158 8.895 1.00 3.52 H new ATOM 0 HH11 ARG A 50 -9.194 -3.939 9.131 1.00 3.37 H new ATOM 0 HH12 ARG A 50 -9.970 -3.330 10.596 1.00 3.37 H new ATOM 0 HH21 ARG A 50 -7.992 -0.406 10.770 1.00 5.65 H new ATOM 0 HH22 ARG A 50 -9.292 -1.337 11.521 1.00 5.65 H new ATOM 810 N MET A 51 -3.533 -5.424 7.526 1.00 0.91 N ATOM 811 CA MET A 51 -2.764 -5.896 6.385 1.00 0.85 C ATOM 812 C MET A 51 -1.849 -7.033 6.810 1.00 0.70 C ATOM 813 O MET A 51 -1.835 -8.080 6.175 1.00 0.72 O ATOM 814 CB MET A 51 -1.923 -4.765 5.798 1.00 0.95 C ATOM 815 CG MET A 51 -1.090 -5.260 4.616 1.00 1.53 C ATOM 816 SD MET A 51 -2.006 -6.092 3.302 1.00 2.51 S ATOM 817 CE MET A 51 -3.105 -4.766 2.756 1.00 1.90 C ATOM 0 H MET A 51 -3.348 -4.454 7.783 1.00 0.91 H new ATOM 0 HA MET A 51 -3.461 -6.250 5.626 1.00 0.85 H new ATOM 0 HB2 MET A 51 -2.574 -3.953 5.474 1.00 0.95 H new ATOM 0 HB3 MET A 51 -1.265 -4.359 6.567 1.00 0.95 H new ATOM 0 HG2 MET A 51 -0.565 -4.408 4.184 1.00 1.53 H new ATOM 0 HG3 MET A 51 -0.330 -5.945 4.993 1.00 1.53 H new ATOM 0 HE1 MET A 51 -3.567 -5.043 1.809 1.00 1.90 H new ATOM 0 HE2 MET A 51 -3.881 -4.605 3.505 1.00 1.90 H new ATOM 0 HE3 MET A 51 -2.531 -3.849 2.625 1.00 1.90 H new ATOM 827 N LYS A 52 -1.072 -6.839 7.877 1.00 0.60 N ATOM 828 CA LYS A 52 -0.120 -7.837 8.340 1.00 0.50 C ATOM 829 C LYS A 52 -0.824 -9.166 8.582 1.00 0.49 C ATOM 830 O LYS A 52 -0.258 -10.217 8.303 1.00 0.51 O ATOM 831 CB LYS A 52 0.609 -7.343 9.598 1.00 0.51 C ATOM 832 CG LYS A 52 1.995 -7.998 9.689 1.00 0.66 C ATOM 833 CD LYS A 52 2.851 -7.332 10.773 1.00 1.95 C ATOM 834 CE LYS A 52 4.289 -7.863 10.755 1.00 2.26 C ATOM 835 NZ LYS A 52 4.369 -9.292 11.133 1.00 2.26 N ATOM 0 H LYS A 52 -1.088 -5.988 8.439 1.00 0.60 H new ATOM 0 HA LYS A 52 0.632 -7.995 7.567 1.00 0.50 H new ATOM 0 HB2 LYS A 52 0.711 -6.258 9.568 1.00 0.51 H new ATOM 0 HB3 LYS A 52 0.024 -7.583 10.486 1.00 0.51 H new ATOM 0 HG2 LYS A 52 1.885 -9.060 9.910 1.00 0.66 H new ATOM 0 HG3 LYS A 52 2.500 -7.923 8.726 1.00 0.66 H new ATOM 0 HD2 LYS A 52 2.858 -6.253 10.621 1.00 1.95 H new ATOM 0 HD3 LYS A 52 2.407 -7.513 11.752 1.00 1.95 H new ATOM 0 HE2 LYS A 52 4.710 -7.730 9.758 1.00 2.26 H new ATOM 0 HE3 LYS A 52 4.899 -7.274 11.440 1.00 2.26 H new ATOM 0 HZ1 LYS A 52 5.363 -9.599 11.122 1.00 2.26 H new ATOM 0 HZ2 LYS A 52 3.977 -9.421 12.088 1.00 2.26 H new ATOM 0 HZ3 LYS A 52 3.823 -9.862 10.455 1.00 2.26 H new ATOM 849 N THR A 53 -2.057 -9.131 9.083 1.00 0.53 N ATOM 850 CA THR A 53 -2.829 -10.330 9.341 1.00 0.55 C ATOM 851 C THR A 53 -3.418 -10.912 8.059 1.00 0.53 C ATOM 852 O THR A 53 -3.374 -12.122 7.867 1.00 0.54 O ATOM 853 CB THR A 53 -3.898 -10.006 10.389 1.00 0.74 C ATOM 854 OG1 THR A 53 -4.593 -8.818 10.081 1.00 0.86 O ATOM 855 CG2 THR A 53 -3.191 -9.763 11.719 1.00 0.81 C ATOM 0 H THR A 53 -2.544 -8.266 9.320 1.00 0.53 H new ATOM 0 HA THR A 53 -2.176 -11.109 9.736 1.00 0.55 H new ATOM 0 HB THR A 53 -4.602 -10.838 10.421 1.00 0.74 H new ATOM 0 HG1 THR A 53 -4.469 -8.603 9.133 1.00 0.86 H new ATOM 0 HG21 THR A 53 -3.929 -9.529 12.486 1.00 0.81 H new ATOM 0 HG22 THR A 53 -2.639 -10.658 12.007 1.00 0.81 H new ATOM 0 HG23 THR A 53 -2.498 -8.928 11.616 1.00 0.81 H new ATOM 863 N ILE A 54 -3.966 -10.087 7.163 1.00 0.56 N ATOM 864 CA ILE A 54 -4.587 -10.591 5.939 1.00 0.59 C ATOM 865 C ILE A 54 -3.519 -11.242 5.057 1.00 0.55 C ATOM 866 O ILE A 54 -3.785 -12.219 4.363 1.00 0.59 O ATOM 867 CB ILE A 54 -5.338 -9.452 5.213 1.00 0.66 C ATOM 868 CG1 ILE A 54 -6.548 -8.961 6.026 1.00 0.70 C ATOM 869 CG2 ILE A 54 -5.762 -9.833 3.786 1.00 0.73 C ATOM 870 CD1 ILE A 54 -7.797 -9.798 5.787 1.00 1.36 C ATOM 0 H ILE A 54 -3.992 -9.072 7.263 1.00 0.56 H new ATOM 0 HA ILE A 54 -5.327 -11.354 6.182 1.00 0.59 H new ATOM 0 HB ILE A 54 -4.627 -8.631 5.127 1.00 0.66 H new ATOM 0 HG12 ILE A 54 -6.300 -8.982 7.087 1.00 0.70 H new ATOM 0 HG13 ILE A 54 -6.757 -7.923 5.768 1.00 0.70 H new ATOM 0 HG21 ILE A 54 -6.285 -8.995 3.326 1.00 0.73 H new ATOM 0 HG22 ILE A 54 -4.878 -10.077 3.197 1.00 0.73 H new ATOM 0 HG23 ILE A 54 -6.424 -10.698 3.822 1.00 0.73 H new ATOM 0 HD11 ILE A 54 -8.618 -9.405 6.386 1.00 1.36 H new ATOM 0 HD12 ILE A 54 -8.066 -9.757 4.732 1.00 1.36 H new ATOM 0 HD13 ILE A 54 -7.602 -10.832 6.072 1.00 1.36 H new ATOM 882 N SER A 55 -2.309 -10.693 5.084 1.00 0.52 N ATOM 883 CA SER A 55 -1.191 -11.182 4.301 1.00 0.53 C ATOM 884 C SER A 55 -0.555 -12.358 5.006 1.00 0.51 C ATOM 885 O SER A 55 -0.153 -13.322 4.362 1.00 0.54 O ATOM 886 CB SER A 55 -0.171 -10.049 4.098 1.00 0.60 C ATOM 887 OG SER A 55 0.485 -10.180 2.856 1.00 1.58 O ATOM 0 H SER A 55 -2.079 -9.884 5.661 1.00 0.52 H new ATOM 0 HA SER A 55 -1.541 -11.513 3.323 1.00 0.53 H new ATOM 0 HB2 SER A 55 -0.677 -9.085 4.147 1.00 0.60 H new ATOM 0 HB3 SER A 55 0.562 -10.065 4.905 1.00 0.60 H new ATOM 0 HG SER A 55 1.402 -10.495 3.002 1.00 1.58 H new ATOM 893 N THR A 56 -0.384 -12.236 6.323 1.00 0.50 N ATOM 894 CA THR A 56 0.375 -13.153 7.161 1.00 0.51 C ATOM 895 C THR A 56 1.868 -13.255 6.788 1.00 0.47 C ATOM 896 O THR A 56 2.660 -13.721 7.603 1.00 0.61 O ATOM 897 CB THR A 56 -0.385 -14.487 7.203 1.00 0.59 C ATOM 898 OG1 THR A 56 -1.572 -14.299 7.944 1.00 0.71 O ATOM 899 CG2 THR A 56 0.375 -15.617 7.896 1.00 0.73 C ATOM 0 H THR A 56 -0.788 -11.463 6.852 1.00 0.50 H new ATOM 0 HA THR A 56 0.437 -12.761 8.176 1.00 0.51 H new ATOM 0 HB THR A 56 -0.550 -14.773 6.164 1.00 0.59 H new ATOM 0 HG1 THR A 56 -2.004 -13.466 7.663 1.00 0.71 H new ATOM 0 HG21 THR A 56 -0.230 -16.524 7.883 1.00 0.73 H new ATOM 0 HG22 THR A 56 1.313 -15.799 7.372 1.00 0.73 H new ATOM 0 HG23 THR A 56 0.585 -15.335 8.928 1.00 0.73 H new ATOM 907 N ASP A 57 2.302 -12.779 5.616 1.00 0.41 N ATOM 908 CA ASP A 57 3.652 -12.915 5.117 1.00 0.41 C ATOM 909 C ASP A 57 3.950 -11.663 4.297 1.00 0.36 C ATOM 910 O ASP A 57 3.083 -11.151 3.584 1.00 0.41 O ATOM 911 CB ASP A 57 3.739 -14.178 4.250 1.00 0.51 C ATOM 912 CG ASP A 57 5.185 -14.567 3.950 1.00 0.59 C ATOM 913 OD1 ASP A 57 6.033 -13.647 3.917 1.00 1.47 O ATOM 914 OD2 ASP A 57 5.422 -15.773 3.742 1.00 1.69 O ATOM 0 H ASP A 57 1.692 -12.272 4.975 1.00 0.41 H new ATOM 0 HA ASP A 57 4.378 -13.012 5.924 1.00 0.41 H new ATOM 0 HB2 ASP A 57 3.240 -15.002 4.759 1.00 0.51 H new ATOM 0 HB3 ASP A 57 3.206 -14.012 3.314 1.00 0.51 H new ATOM 919 N LEU A 58 5.176 -11.164 4.399 1.00 0.38 N ATOM 920 CA LEU A 58 5.660 -10.034 3.621 1.00 0.37 C ATOM 921 C LEU A 58 5.686 -10.361 2.137 1.00 0.40 C ATOM 922 O LEU A 58 5.578 -9.464 1.323 1.00 0.48 O ATOM 923 CB LEU A 58 7.055 -9.609 4.090 1.00 0.47 C ATOM 924 CG LEU A 58 7.029 -9.018 5.510 1.00 0.57 C ATOM 925 CD1 LEU A 58 8.096 -9.684 6.381 1.00 1.14 C ATOM 926 CD2 LEU A 58 7.269 -7.507 5.472 1.00 0.95 C ATOM 0 H LEU A 58 5.875 -11.543 5.039 1.00 0.38 H new ATOM 0 HA LEU A 58 4.970 -9.205 3.778 1.00 0.37 H new ATOM 0 HB2 LEU A 58 7.723 -10.470 4.068 1.00 0.47 H new ATOM 0 HB3 LEU A 58 7.462 -8.872 3.398 1.00 0.47 H new ATOM 0 HG LEU A 58 6.045 -9.208 5.938 1.00 0.57 H new ATOM 0 HD11 LEU A 58 8.067 -9.256 7.383 1.00 1.14 H new ATOM 0 HD12 LEU A 58 7.903 -10.755 6.438 1.00 1.14 H new ATOM 0 HD13 LEU A 58 9.080 -9.516 5.943 1.00 1.14 H new ATOM 0 HD21 LEU A 58 7.247 -7.109 6.487 1.00 0.95 H new ATOM 0 HD22 LEU A 58 8.242 -7.304 5.024 1.00 0.95 H new ATOM 0 HD23 LEU A 58 6.490 -7.030 4.878 1.00 0.95 H new ATOM 938 N GLN A 59 5.811 -11.625 1.768 1.00 0.40 N ATOM 939 CA GLN A 59 5.903 -12.076 0.397 1.00 0.43 C ATOM 940 C GLN A 59 4.622 -11.738 -0.344 1.00 0.38 C ATOM 941 O GLN A 59 4.677 -11.146 -1.415 1.00 0.40 O ATOM 942 CB GLN A 59 6.189 -13.575 0.392 1.00 0.48 C ATOM 943 CG GLN A 59 6.212 -14.122 -1.043 1.00 0.61 C ATOM 944 CD GLN A 59 6.997 -15.424 -1.149 1.00 1.34 C ATOM 945 OE1 GLN A 59 6.456 -16.509 -0.980 1.00 2.43 O ATOM 946 NE2 GLN A 59 8.286 -15.341 -1.454 1.00 2.21 N ATOM 0 H GLN A 59 5.852 -12.389 2.442 1.00 0.40 H new ATOM 0 HA GLN A 59 6.718 -11.569 -0.120 1.00 0.43 H new ATOM 0 HB2 GLN A 59 7.147 -13.768 0.875 1.00 0.48 H new ATOM 0 HB3 GLN A 59 5.428 -14.097 0.973 1.00 0.48 H new ATOM 0 HG2 GLN A 59 5.190 -14.287 -1.384 1.00 0.61 H new ATOM 0 HG3 GLN A 59 6.653 -13.378 -1.707 1.00 0.61 H new ATOM 0 HE21 GLN A 59 8.720 -14.428 -1.591 1.00 2.21 H new ATOM 0 HE22 GLN A 59 8.843 -16.190 -1.551 1.00 2.21 H new ATOM 955 N LEU A 60 3.463 -12.089 0.217 1.00 0.37 N ATOM 956 CA LEU A 60 2.195 -11.740 -0.410 1.00 0.38 C ATOM 957 C LEU A 60 2.011 -10.228 -0.423 1.00 0.35 C ATOM 958 O LEU A 60 1.378 -9.709 -1.334 1.00 0.35 O ATOM 959 CB LEU A 60 1.014 -12.420 0.314 1.00 0.48 C ATOM 960 CG LEU A 60 0.196 -13.372 -0.571 1.00 0.82 C ATOM 961 CD1 LEU A 60 -0.438 -12.651 -1.764 1.00 2.35 C ATOM 962 CD2 LEU A 60 1.039 -14.556 -1.050 1.00 1.51 C ATOM 0 H LEU A 60 3.380 -12.607 1.092 1.00 0.37 H new ATOM 0 HA LEU A 60 2.213 -12.101 -1.438 1.00 0.38 H new ATOM 0 HB2 LEU A 60 1.399 -12.977 1.168 1.00 0.48 H new ATOM 0 HB3 LEU A 60 0.352 -11.649 0.708 1.00 0.48 H new ATOM 0 HG LEU A 60 -0.612 -13.755 0.052 1.00 0.82 H new ATOM 0 HD11 LEU A 60 -1.006 -13.365 -2.360 1.00 2.35 H new ATOM 0 HD12 LEU A 60 -1.105 -11.868 -1.403 1.00 2.35 H new ATOM 0 HD13 LEU A 60 0.345 -12.207 -2.379 1.00 2.35 H new ATOM 0 HD21 LEU A 60 0.428 -15.209 -1.674 1.00 1.51 H new ATOM 0 HD22 LEU A 60 1.886 -14.189 -1.630 1.00 1.51 H new ATOM 0 HD23 LEU A 60 1.404 -15.115 -0.188 1.00 1.51 H new ATOM 974 N ILE A 61 2.556 -9.508 0.561 1.00 0.34 N ATOM 975 CA ILE A 61 2.425 -8.055 0.578 1.00 0.34 C ATOM 976 C ILE A 61 3.282 -7.452 -0.542 1.00 0.32 C ATOM 977 O ILE A 61 2.874 -6.507 -1.219 1.00 0.35 O ATOM 978 CB ILE A 61 2.717 -7.501 1.993 1.00 0.37 C ATOM 979 CG1 ILE A 61 1.511 -6.690 2.489 1.00 0.46 C ATOM 980 CG2 ILE A 61 3.985 -6.650 2.140 1.00 0.48 C ATOM 981 CD1 ILE A 61 1.325 -5.371 1.730 1.00 0.81 C ATOM 0 H ILE A 61 3.082 -9.901 1.341 1.00 0.34 H new ATOM 0 HA ILE A 61 1.399 -7.755 0.366 1.00 0.34 H new ATOM 0 HB ILE A 61 2.898 -8.388 2.600 1.00 0.37 H new ATOM 0 HG12 ILE A 61 0.608 -7.292 2.387 1.00 0.46 H new ATOM 0 HG13 ILE A 61 1.634 -6.478 3.551 1.00 0.46 H new ATOM 0 HG21 ILE A 61 4.083 -6.319 3.174 1.00 0.48 H new ATOM 0 HG22 ILE A 61 4.856 -7.245 1.865 1.00 0.48 H new ATOM 0 HG23 ILE A 61 3.918 -5.781 1.486 1.00 0.48 H new ATOM 0 HD11 ILE A 61 0.457 -4.843 2.125 1.00 0.81 H new ATOM 0 HD12 ILE A 61 2.214 -4.752 1.853 1.00 0.81 H new ATOM 0 HD13 ILE A 61 1.171 -5.579 0.671 1.00 0.81 H new ATOM 993 N THR A 62 4.467 -8.018 -0.768 1.00 0.32 N ATOM 994 CA THR A 62 5.374 -7.534 -1.793 1.00 0.34 C ATOM 995 C THR A 62 4.753 -7.818 -3.147 1.00 0.33 C ATOM 996 O THR A 62 4.741 -6.947 -4.011 1.00 0.35 O ATOM 997 CB THR A 62 6.755 -8.194 -1.660 1.00 0.47 C ATOM 998 OG1 THR A 62 7.344 -7.859 -0.424 1.00 1.14 O ATOM 999 CG2 THR A 62 7.716 -7.731 -2.760 1.00 1.04 C ATOM 0 H THR A 62 4.819 -8.820 -0.246 1.00 0.32 H new ATOM 0 HA THR A 62 5.527 -6.461 -1.680 1.00 0.34 H new ATOM 0 HB THR A 62 6.593 -9.269 -1.740 1.00 0.47 H new ATOM 0 HG1 THR A 62 6.858 -8.304 0.301 1.00 1.14 H new ATOM 0 HG21 THR A 62 8.681 -8.221 -2.630 1.00 1.04 H new ATOM 0 HG22 THR A 62 7.305 -7.992 -3.735 1.00 1.04 H new ATOM 0 HG23 THR A 62 7.846 -6.651 -2.698 1.00 1.04 H new ATOM 1007 N GLU A 63 4.234 -9.030 -3.353 1.00 0.35 N ATOM 1008 CA GLU A 63 3.662 -9.368 -4.639 1.00 0.39 C ATOM 1009 C GLU A 63 2.402 -8.558 -4.879 1.00 0.36 C ATOM 1010 O GLU A 63 2.165 -8.144 -6.007 1.00 0.37 O ATOM 1011 CB GLU A 63 3.395 -10.869 -4.813 1.00 0.54 C ATOM 1012 CG GLU A 63 2.895 -11.054 -6.261 1.00 0.70 C ATOM 1013 CD GLU A 63 3.213 -12.400 -6.904 1.00 1.42 C ATOM 1014 OE1 GLU A 63 2.997 -13.440 -6.251 1.00 1.67 O ATOM 1015 OE2 GLU A 63 3.660 -12.351 -8.078 1.00 2.80 O ATOM 0 H GLU A 63 4.202 -9.774 -2.656 1.00 0.35 H new ATOM 0 HA GLU A 63 4.406 -9.111 -5.392 1.00 0.39 H new ATOM 0 HB2 GLU A 63 4.302 -11.448 -4.638 1.00 0.54 H new ATOM 0 HB3 GLU A 63 2.651 -11.217 -4.097 1.00 0.54 H new ATOM 0 HG2 GLU A 63 1.814 -10.913 -6.273 1.00 0.70 H new ATOM 0 HG3 GLU A 63 3.327 -10.266 -6.878 1.00 0.70 H new ATOM 1022 N ALA A 64 1.609 -8.289 -3.844 1.00 0.35 N ATOM 1023 CA ALA A 64 0.401 -7.491 -4.010 1.00 0.37 C ATOM 1024 C ALA A 64 0.758 -6.146 -4.642 1.00 0.36 C ATOM 1025 O ALA A 64 0.162 -5.722 -5.630 1.00 0.40 O ATOM 1026 CB ALA A 64 -0.261 -7.284 -2.654 1.00 0.38 C ATOM 0 H ALA A 64 1.780 -8.609 -2.891 1.00 0.35 H new ATOM 0 HA ALA A 64 -0.297 -8.011 -4.666 1.00 0.37 H new ATOM 0 HB1 ALA A 64 -1.165 -6.687 -2.778 1.00 0.38 H new ATOM 0 HB2 ALA A 64 -0.521 -8.252 -2.225 1.00 0.38 H new ATOM 0 HB3 ALA A 64 0.428 -6.765 -1.988 1.00 0.38 H new ATOM 1032 N LEU A 65 1.770 -5.479 -4.084 1.00 0.33 N ATOM 1033 CA LEU A 65 2.253 -4.216 -4.610 1.00 0.33 C ATOM 1034 C LEU A 65 2.808 -4.404 -6.023 1.00 0.34 C ATOM 1035 O LEU A 65 2.491 -3.626 -6.922 1.00 0.36 O ATOM 1036 CB LEU A 65 3.309 -3.647 -3.659 1.00 0.32 C ATOM 1037 CG LEU A 65 2.707 -3.035 -2.386 1.00 0.36 C ATOM 1038 CD1 LEU A 65 3.836 -2.639 -1.431 1.00 0.52 C ATOM 1039 CD2 LEU A 65 1.890 -1.774 -2.696 1.00 0.38 C ATOM 0 H LEU A 65 2.272 -5.804 -3.257 1.00 0.33 H new ATOM 0 HA LEU A 65 1.430 -3.505 -4.679 1.00 0.33 H new ATOM 0 HB2 LEU A 65 4.003 -4.440 -3.380 1.00 0.32 H new ATOM 0 HB3 LEU A 65 3.888 -2.886 -4.182 1.00 0.32 H new ATOM 0 HG LEU A 65 2.052 -3.783 -1.939 1.00 0.36 H new ATOM 0 HD11 LEU A 65 3.411 -2.204 -0.526 1.00 0.52 H new ATOM 0 HD12 LEU A 65 4.419 -3.523 -1.170 1.00 0.52 H new ATOM 0 HD13 LEU A 65 4.483 -1.908 -1.916 1.00 0.52 H new ATOM 0 HD21 LEU A 65 1.480 -1.370 -1.771 1.00 0.38 H new ATOM 0 HD22 LEU A 65 2.534 -1.029 -3.164 1.00 0.38 H new ATOM 0 HD23 LEU A 65 1.075 -2.026 -3.374 1.00 0.38 H new ATOM 1051 N LYS A 66 3.610 -5.445 -6.243 1.00 0.35 N ATOM 1052 CA LYS A 66 4.210 -5.740 -7.543 1.00 0.39 C ATOM 1053 C LYS A 66 3.131 -5.897 -8.613 1.00 0.44 C ATOM 1054 O LYS A 66 3.339 -5.555 -9.772 1.00 0.51 O ATOM 1055 CB LYS A 66 5.061 -7.010 -7.424 1.00 0.37 C ATOM 1056 CG LYS A 66 5.989 -7.215 -8.631 1.00 0.68 C ATOM 1057 CD LYS A 66 6.202 -8.707 -8.903 1.00 1.35 C ATOM 1058 CE LYS A 66 4.937 -9.307 -9.532 1.00 3.10 C ATOM 1059 NZ LYS A 66 5.016 -10.778 -9.636 1.00 4.28 N ATOM 0 H LYS A 66 3.864 -6.114 -5.516 1.00 0.35 H new ATOM 0 HA LYS A 66 4.849 -4.911 -7.846 1.00 0.39 H new ATOM 0 HB2 LYS A 66 5.660 -6.958 -6.515 1.00 0.37 H new ATOM 0 HB3 LYS A 66 4.405 -7.875 -7.324 1.00 0.37 H new ATOM 0 HG2 LYS A 66 5.559 -6.737 -9.512 1.00 0.68 H new ATOM 0 HG3 LYS A 66 6.949 -6.734 -8.444 1.00 0.68 H new ATOM 0 HD2 LYS A 66 7.052 -8.846 -9.571 1.00 1.35 H new ATOM 0 HD3 LYS A 66 6.438 -9.225 -7.974 1.00 1.35 H new ATOM 0 HE2 LYS A 66 4.069 -9.032 -8.933 1.00 3.10 H new ATOM 0 HE3 LYS A 66 4.788 -8.881 -10.524 1.00 3.10 H new ATOM 0 HZ1 LYS A 66 4.520 -11.092 -10.494 1.00 4.28 H new ATOM 0 HZ2 LYS A 66 6.013 -11.069 -9.686 1.00 4.28 H new ATOM 0 HZ3 LYS A 66 4.571 -11.209 -8.801 1.00 4.28 H new ATOM 1073 N LYS A 67 1.986 -6.452 -8.229 1.00 0.43 N ATOM 1074 CA LYS A 67 0.882 -6.796 -9.102 1.00 0.46 C ATOM 1075 C LYS A 67 -0.269 -5.818 -8.854 1.00 0.43 C ATOM 1076 O LYS A 67 -1.425 -6.228 -8.904 1.00 0.56 O ATOM 1077 CB LYS A 67 0.512 -8.267 -8.813 1.00 0.61 C ATOM 1078 CG LYS A 67 0.329 -9.092 -10.086 1.00 0.94 C ATOM 1079 CD LYS A 67 0.030 -10.546 -9.701 1.00 0.95 C ATOM 1080 CE LYS A 67 -0.008 -11.424 -10.953 1.00 1.79 C ATOM 1081 NZ LYS A 67 -0.399 -12.810 -10.625 1.00 1.79 N ATOM 0 H LYS A 67 1.799 -6.683 -7.253 1.00 0.43 H new ATOM 0 HA LYS A 67 1.137 -6.711 -10.158 1.00 0.46 H new ATOM 0 HB2 LYS A 67 1.292 -8.720 -8.201 1.00 0.61 H new ATOM 0 HB3 LYS A 67 -0.408 -8.298 -8.230 1.00 0.61 H new ATOM 0 HG2 LYS A 67 -0.487 -8.686 -10.684 1.00 0.94 H new ATOM 0 HG3 LYS A 67 1.229 -9.042 -10.699 1.00 0.94 H new ATOM 0 HD2 LYS A 67 0.792 -10.912 -9.013 1.00 0.95 H new ATOM 0 HD3 LYS A 67 -0.925 -10.603 -9.178 1.00 0.95 H new ATOM 0 HE2 LYS A 67 -0.712 -11.006 -11.672 1.00 1.79 H new ATOM 0 HE3 LYS A 67 0.972 -11.424 -11.430 1.00 1.79 H new ATOM 0 HZ1 LYS A 67 0.124 -13.472 -11.234 1.00 1.79 H new ATOM 0 HZ2 LYS A 67 -0.176 -13.007 -9.628 1.00 1.79 H new ATOM 0 HZ3 LYS A 67 -1.420 -12.929 -10.782 1.00 1.79 H new ATOM 1095 N SER A 68 0.030 -4.545 -8.553 1.00 0.39 N ATOM 1096 CA SER A 68 -0.995 -3.581 -8.187 1.00 0.42 C ATOM 1097 C SER A 68 -1.988 -3.318 -9.321 1.00 0.46 C ATOM 1098 O SER A 68 -1.782 -3.722 -10.463 1.00 0.66 O ATOM 1099 CB SER A 68 -0.367 -2.268 -7.718 1.00 0.47 C ATOM 1100 OG SER A 68 0.029 -2.373 -6.377 1.00 1.79 O ATOM 0 H SER A 68 0.978 -4.168 -8.559 1.00 0.39 H new ATOM 0 HA SER A 68 -1.556 -4.022 -7.363 1.00 0.42 H new ATOM 0 HB2 SER A 68 0.494 -2.025 -8.341 1.00 0.47 H new ATOM 0 HB3 SER A 68 -1.082 -1.453 -7.831 1.00 0.47 H new ATOM 0 HG SER A 68 0.966 -2.656 -6.334 1.00 1.79 H new ATOM 1106 N THR A 69 -3.079 -2.624 -8.983 1.00 0.48 N ATOM 1107 CA THR A 69 -4.212 -2.392 -9.862 1.00 0.51 C ATOM 1108 C THR A 69 -4.403 -0.880 -10.022 1.00 0.53 C ATOM 1109 O THR A 69 -3.994 -0.334 -11.043 1.00 0.73 O ATOM 1110 CB THR A 69 -5.422 -3.237 -9.407 1.00 0.63 C ATOM 1111 OG1 THR A 69 -6.464 -3.083 -10.344 1.00 0.97 O ATOM 1112 CG2 THR A 69 -5.985 -2.982 -7.995 1.00 0.71 C ATOM 0 H THR A 69 -3.194 -2.199 -8.063 1.00 0.48 H new ATOM 0 HA THR A 69 -4.048 -2.750 -10.879 1.00 0.51 H new ATOM 0 HB THR A 69 -5.026 -4.251 -9.354 1.00 0.63 H new ATOM 0 HG1 THR A 69 -7.237 -3.617 -10.065 1.00 0.97 H new ATOM 0 HG21 THR A 69 -6.830 -3.646 -7.815 1.00 0.71 H new ATOM 0 HG22 THR A 69 -5.209 -3.173 -7.254 1.00 0.71 H new ATOM 0 HG23 THR A 69 -6.315 -1.946 -7.916 1.00 0.71 H new ATOM 1120 N ARG A 70 -4.913 -0.149 -9.022 1.00 0.56 N ATOM 1121 CA ARG A 70 -5.004 1.309 -9.148 1.00 0.64 C ATOM 1122 C ARG A 70 -3.712 2.031 -8.748 1.00 0.57 C ATOM 1123 O ARG A 70 -3.695 3.260 -8.752 1.00 0.58 O ATOM 1124 CB ARG A 70 -6.163 1.814 -8.278 1.00 0.77 C ATOM 1125 CG ARG A 70 -7.528 1.285 -8.748 1.00 1.38 C ATOM 1126 CD ARG A 70 -8.125 2.058 -9.929 1.00 2.17 C ATOM 1127 NE ARG A 70 -8.526 3.414 -9.524 1.00 3.03 N ATOM 1128 CZ ARG A 70 -9.541 4.133 -10.023 1.00 4.09 C ATOM 1129 NH1 ARG A 70 -10.287 3.678 -11.026 1.00 4.50 N ATOM 1130 NH2 ARG A 70 -9.822 5.326 -9.507 1.00 5.55 N ATOM 0 H ARG A 70 -5.259 -0.530 -8.142 1.00 0.56 H new ATOM 0 HA ARG A 70 -5.176 1.533 -10.201 1.00 0.64 H new ATOM 0 HB2 ARG A 70 -5.996 1.510 -7.245 1.00 0.77 H new ATOM 0 HB3 ARG A 70 -6.175 2.904 -8.292 1.00 0.77 H new ATOM 0 HG2 ARG A 70 -7.422 0.237 -9.029 1.00 1.38 H new ATOM 0 HG3 ARG A 70 -8.227 1.322 -7.913 1.00 1.38 H new ATOM 0 HD2 ARG A 70 -7.395 2.117 -10.736 1.00 2.17 H new ATOM 0 HD3 ARG A 70 -8.989 1.521 -10.320 1.00 2.17 H new ATOM 0 HE ARG A 70 -7.974 3.853 -8.787 1.00 3.03 H new ATOM 0 HH11 ARG A 70 -10.092 2.763 -11.432 1.00 4.50 H new ATOM 0 HH12 ARG A 70 -11.054 4.244 -11.389 1.00 4.50 H new ATOM 0 HH21 ARG A 70 -9.266 5.691 -8.734 1.00 5.55 H new ATOM 0 HH22 ARG A 70 -10.594 5.876 -9.884 1.00 5.55 H new ATOM 1144 N LEU A 71 -2.643 1.315 -8.382 1.00 0.56 N ATOM 1145 CA LEU A 71 -1.383 1.879 -7.925 1.00 0.48 C ATOM 1146 C LEU A 71 -0.255 1.206 -8.718 1.00 0.42 C ATOM 1147 O LEU A 71 -0.495 0.182 -9.357 1.00 0.48 O ATOM 1148 CB LEU A 71 -1.188 1.602 -6.420 1.00 0.51 C ATOM 1149 CG LEU A 71 -2.431 1.597 -5.510 1.00 0.71 C ATOM 1150 CD1 LEU A 71 -1.995 1.164 -4.107 1.00 1.06 C ATOM 1151 CD2 LEU A 71 -3.110 2.960 -5.367 1.00 1.28 C ATOM 0 H LEU A 71 -2.638 0.295 -8.399 1.00 0.56 H new ATOM 0 HA LEU A 71 -1.378 2.958 -8.080 1.00 0.48 H new ATOM 0 HB2 LEU A 71 -0.700 0.632 -6.321 1.00 0.51 H new ATOM 0 HB3 LEU A 71 -0.495 2.349 -6.032 1.00 0.51 H new ATOM 0 HG LEU A 71 -3.148 0.920 -5.974 1.00 0.71 H new ATOM 0 HD11 LEU A 71 -2.860 1.153 -3.444 1.00 1.06 H new ATOM 0 HD12 LEU A 71 -1.561 0.165 -4.153 1.00 1.06 H new ATOM 0 HD13 LEU A 71 -1.253 1.865 -3.724 1.00 1.06 H new ATOM 0 HD21 LEU A 71 -3.975 2.868 -4.711 1.00 1.28 H new ATOM 0 HD22 LEU A 71 -2.406 3.675 -4.941 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -3.434 3.310 -6.347 1.00 1.28 H new ATOM 1163 N GLN A 72 0.981 1.700 -8.626 1.00 0.37 N ATOM 1164 CA GLN A 72 2.152 1.026 -9.175 1.00 0.37 C ATOM 1165 C GLN A 72 3.314 1.146 -8.196 1.00 0.28 C ATOM 1166 O GLN A 72 3.676 2.249 -7.792 1.00 0.28 O ATOM 1167 CB GLN A 72 2.579 1.625 -10.523 1.00 0.63 C ATOM 1168 CG GLN A 72 1.555 1.416 -11.647 1.00 1.22 C ATOM 1169 CD GLN A 72 0.558 2.565 -11.792 1.00 2.67 C ATOM 1170 OE1 GLN A 72 0.415 3.417 -10.923 1.00 3.77 O ATOM 1171 NE2 GLN A 72 -0.127 2.633 -12.925 1.00 3.46 N ATOM 0 H GLN A 72 1.196 2.584 -8.165 1.00 0.37 H new ATOM 0 HA GLN A 72 1.885 -0.019 -9.333 1.00 0.37 H new ATOM 0 HB2 GLN A 72 2.752 2.694 -10.396 1.00 0.63 H new ATOM 0 HB3 GLN A 72 3.529 1.181 -10.822 1.00 0.63 H new ATOM 0 HG2 GLN A 72 2.086 1.286 -12.590 1.00 1.22 H new ATOM 0 HG3 GLN A 72 1.007 0.493 -11.460 1.00 1.22 H new ATOM 0 HE21 GLN A 72 0.000 1.918 -13.641 1.00 3.46 H new ATOM 0 HE22 GLN A 72 -0.781 3.400 -13.080 1.00 3.46 H new ATOM 1180 N VAL A 73 3.932 0.023 -7.841 1.00 0.33 N ATOM 1181 CA VAL A 73 5.125 0.003 -7.013 1.00 0.28 C ATOM 1182 C VAL A 73 6.343 0.070 -7.921 1.00 0.30 C ATOM 1183 O VAL A 73 6.306 -0.364 -9.071 1.00 0.39 O ATOM 1184 CB VAL A 73 5.121 -1.242 -6.110 1.00 0.46 C ATOM 1185 CG1 VAL A 73 5.471 -2.527 -6.862 1.00 0.70 C ATOM 1186 CG2 VAL A 73 6.059 -1.107 -4.906 1.00 0.97 C ATOM 0 H VAL A 73 3.613 -0.904 -8.124 1.00 0.33 H new ATOM 0 HA VAL A 73 5.151 0.866 -6.347 1.00 0.28 H new ATOM 0 HB VAL A 73 4.093 -1.312 -5.753 1.00 0.46 H new ATOM 0 HG11 VAL A 73 5.452 -3.370 -6.171 1.00 0.70 H new ATOM 0 HG12 VAL A 73 4.744 -2.693 -7.657 1.00 0.70 H new ATOM 0 HG13 VAL A 73 6.467 -2.436 -7.295 1.00 0.70 H new ATOM 0 HG21 VAL A 73 6.014 -2.016 -4.306 1.00 0.97 H new ATOM 0 HG22 VAL A 73 7.080 -0.954 -5.256 1.00 0.97 H new ATOM 0 HG23 VAL A 73 5.752 -0.255 -4.299 1.00 0.97 H new ATOM 1196 N SER A 74 7.420 0.636 -7.396 1.00 0.34 N ATOM 1197 CA SER A 74 8.719 0.568 -8.027 1.00 0.48 C ATOM 1198 C SER A 74 9.306 -0.823 -7.874 1.00 0.83 C ATOM 1199 O SER A 74 8.849 -1.617 -7.056 1.00 0.99 O ATOM 1200 CB SER A 74 9.633 1.639 -7.433 1.00 0.87 C ATOM 1201 OG SER A 74 10.099 2.475 -8.473 1.00 1.36 O ATOM 0 H SER A 74 7.412 1.155 -6.518 1.00 0.34 H new ATOM 0 HA SER A 74 8.619 0.763 -9.095 1.00 0.48 H new ATOM 0 HB2 SER A 74 9.092 2.227 -6.691 1.00 0.87 H new ATOM 0 HB3 SER A 74 10.474 1.173 -6.919 1.00 0.87 H new ATOM 0 HG SER A 74 11.042 2.693 -8.320 1.00 1.36 H new ATOM 1207 N GLU A 75 10.362 -1.094 -8.634 1.00 1.15 N ATOM 1208 CA GLU A 75 11.103 -2.344 -8.565 1.00 1.70 C ATOM 1209 C GLU A 75 11.715 -2.535 -7.175 1.00 1.38 C ATOM 1210 O GLU A 75 12.004 -3.659 -6.777 1.00 1.73 O ATOM 1211 CB GLU A 75 12.165 -2.338 -9.671 1.00 2.28 C ATOM 1212 CG GLU A 75 11.486 -2.427 -11.046 1.00 2.84 C ATOM 1213 CD GLU A 75 12.409 -1.940 -12.160 1.00 3.07 C ATOM 1214 OE1 GLU A 75 12.448 -0.704 -12.352 1.00 3.12 O ATOM 1215 OE2 GLU A 75 13.047 -2.802 -12.803 1.00 3.74 O ATOM 0 H GLU A 75 10.731 -0.440 -9.325 1.00 1.15 H new ATOM 0 HA GLU A 75 10.435 -3.190 -8.725 1.00 1.70 H new ATOM 0 HB2 GLU A 75 12.763 -1.429 -9.609 1.00 2.28 H new ATOM 0 HB3 GLU A 75 12.847 -3.178 -9.537 1.00 2.28 H new ATOM 0 HG2 GLU A 75 11.192 -3.458 -11.241 1.00 2.84 H new ATOM 0 HG3 GLU A 75 10.574 -1.830 -11.041 1.00 2.84 H new ATOM 1222 N ASP A 76 11.870 -1.452 -6.405 1.00 0.89 N ATOM 1223 CA ASP A 76 12.354 -1.519 -5.035 1.00 0.81 C ATOM 1224 C ASP A 76 11.355 -2.246 -4.142 1.00 0.77 C ATOM 1225 O ASP A 76 11.726 -2.774 -3.097 1.00 0.89 O ATOM 1226 CB ASP A 76 12.534 -0.105 -4.469 1.00 0.98 C ATOM 1227 CG ASP A 76 13.498 0.730 -5.297 1.00 1.86 C ATOM 1228 OD1 ASP A 76 13.010 1.272 -6.318 1.00 3.48 O ATOM 1229 OD2 ASP A 76 14.677 0.812 -4.893 1.00 2.18 O ATOM 0 H ASP A 76 11.661 -0.505 -6.722 1.00 0.89 H new ATOM 0 HA ASP A 76 13.303 -2.054 -5.049 1.00 0.81 H new ATOM 0 HB2 ASP A 76 11.566 0.394 -4.430 1.00 0.98 H new ATOM 0 HB3 ASP A 76 12.901 -0.170 -3.445 1.00 0.98 H new ATOM 1234 N GLY A 77 10.059 -2.128 -4.450 1.00 0.67 N ATOM 1235 CA GLY A 77 9.007 -2.541 -3.528 1.00 0.68 C ATOM 1236 C GLY A 77 8.808 -1.540 -2.387 1.00 0.87 C ATOM 1237 O GLY A 77 7.812 -1.610 -1.675 1.00 1.66 O ATOM 0 H GLY A 77 9.718 -1.749 -5.333 1.00 0.67 H new ATOM 0 HA2 GLY A 77 8.071 -2.655 -4.075 1.00 0.68 H new ATOM 0 HA3 GLY A 77 9.254 -3.518 -3.112 1.00 0.68 H new ATOM 1241 N LYS A 78 9.743 -0.605 -2.195 1.00 0.48 N ATOM 1242 CA LYS A 78 9.762 0.294 -1.050 1.00 0.48 C ATOM 1243 C LYS A 78 9.050 1.606 -1.343 1.00 0.37 C ATOM 1244 O LYS A 78 8.955 2.444 -0.453 1.00 0.40 O ATOM 1245 CB LYS A 78 11.205 0.557 -0.616 1.00 0.55 C ATOM 1246 CG LYS A 78 11.770 -0.707 0.032 1.00 0.84 C ATOM 1247 CD LYS A 78 13.242 -0.520 0.386 1.00 1.25 C ATOM 1248 CE LYS A 78 13.677 -1.763 1.157 1.00 1.74 C ATOM 1249 NZ LYS A 78 15.134 -1.774 1.403 1.00 2.82 N ATOM 0 H LYS A 78 10.516 -0.454 -2.843 1.00 0.48 H new ATOM 0 HA LYS A 78 9.222 -0.193 -0.238 1.00 0.48 H new ATOM 0 HB2 LYS A 78 11.811 0.842 -1.476 1.00 0.55 H new ATOM 0 HB3 LYS A 78 11.241 1.389 0.088 1.00 0.55 H new ATOM 0 HG2 LYS A 78 11.202 -0.946 0.931 1.00 0.84 H new ATOM 0 HG3 LYS A 78 11.659 -1.551 -0.648 1.00 0.84 H new ATOM 0 HD2 LYS A 78 13.842 -0.395 -0.515 1.00 1.25 H new ATOM 0 HD3 LYS A 78 13.383 0.377 0.989 1.00 1.25 H new ATOM 0 HE2 LYS A 78 13.147 -1.804 2.109 1.00 1.74 H new ATOM 0 HE3 LYS A 78 13.396 -2.655 0.597 1.00 1.74 H new ATOM 0 HZ1 LYS A 78 15.391 -2.634 1.929 1.00 2.82 H new ATOM 0 HZ2 LYS A 78 15.640 -1.760 0.494 1.00 2.82 H new ATOM 0 HZ3 LYS A 78 15.399 -0.936 1.959 1.00 2.82 H new ATOM 1263 N MET A 79 8.551 1.821 -2.560 1.00 0.32 N ATOM 1264 CA MET A 79 7.664 2.949 -2.774 1.00 0.29 C ATOM 1265 C MET A 79 6.668 2.607 -3.861 1.00 0.33 C ATOM 1266 O MET A 79 6.994 1.871 -4.788 1.00 0.43 O ATOM 1267 CB MET A 79 8.471 4.222 -3.073 1.00 0.41 C ATOM 1268 CG MET A 79 9.293 4.190 -4.363 1.00 1.71 C ATOM 1269 SD MET A 79 8.406 4.772 -5.834 1.00 3.96 S ATOM 1270 CE MET A 79 9.840 5.251 -6.833 1.00 5.49 C ATOM 0 H MET A 79 8.740 1.248 -3.382 1.00 0.32 H new ATOM 0 HA MET A 79 7.097 3.156 -1.867 1.00 0.29 H new ATOM 0 HB2 MET A 79 7.782 5.065 -3.122 1.00 0.41 H new ATOM 0 HB3 MET A 79 9.145 4.409 -2.237 1.00 0.41 H new ATOM 0 HG2 MET A 79 10.185 4.802 -4.226 1.00 1.71 H new ATOM 0 HG3 MET A 79 9.631 3.169 -4.538 1.00 1.71 H new ATOM 0 HE1 MET A 79 9.515 5.489 -7.846 1.00 5.49 H new ATOM 0 HE2 MET A 79 10.316 6.126 -6.390 1.00 5.49 H new ATOM 0 HE3 MET A 79 10.553 4.427 -6.865 1.00 5.49 H new ATOM 1280 N VAL A 80 5.450 3.121 -3.731 1.00 0.31 N ATOM 1281 CA VAL A 80 4.360 2.913 -4.662 1.00 0.32 C ATOM 1282 C VAL A 80 3.654 4.245 -4.790 1.00 0.31 C ATOM 1283 O VAL A 80 3.589 5.015 -3.833 1.00 0.34 O ATOM 1284 CB VAL A 80 3.431 1.767 -4.194 1.00 0.41 C ATOM 1285 CG1 VAL A 80 3.306 1.737 -2.671 1.00 1.18 C ATOM 1286 CG2 VAL A 80 2.012 1.838 -4.774 1.00 1.44 C ATOM 0 H VAL A 80 5.191 3.715 -2.943 1.00 0.31 H new ATOM 0 HA VAL A 80 4.717 2.591 -5.640 1.00 0.32 H new ATOM 0 HB VAL A 80 3.910 0.862 -4.567 1.00 0.41 H new ATOM 0 HG11 VAL A 80 2.647 0.921 -2.376 1.00 1.18 H new ATOM 0 HG12 VAL A 80 4.290 1.587 -2.228 1.00 1.18 H new ATOM 0 HG13 VAL A 80 2.891 2.682 -2.321 1.00 1.18 H new ATOM 0 HG21 VAL A 80 1.423 1.001 -4.399 1.00 1.44 H new ATOM 0 HG22 VAL A 80 1.543 2.775 -4.474 1.00 1.44 H new ATOM 0 HG23 VAL A 80 2.061 1.788 -5.862 1.00 1.44 H new ATOM 1296 N ARG A 81 3.134 4.500 -5.985 1.00 0.40 N ATOM 1297 CA ARG A 81 2.396 5.710 -6.280 1.00 0.43 C ATOM 1298 C ARG A 81 0.970 5.334 -6.621 1.00 0.39 C ATOM 1299 O ARG A 81 0.723 4.289 -7.218 1.00 0.36 O ATOM 1300 CB ARG A 81 3.070 6.535 -7.389 1.00 0.48 C ATOM 1301 CG ARG A 81 3.518 5.740 -8.626 1.00 1.26 C ATOM 1302 CD ARG A 81 4.940 5.177 -8.463 1.00 1.74 C ATOM 1303 NE ARG A 81 5.455 4.636 -9.730 1.00 2.66 N ATOM 1304 CZ ARG A 81 6.638 4.024 -9.885 1.00 3.61 C ATOM 1305 NH1 ARG A 81 7.430 3.804 -8.836 1.00 4.16 N ATOM 1306 NH2 ARG A 81 7.036 3.645 -11.100 1.00 4.51 N ATOM 0 H ARG A 81 3.216 3.864 -6.779 1.00 0.40 H new ATOM 0 HA ARG A 81 2.389 6.357 -5.403 1.00 0.43 H new ATOM 0 HB2 ARG A 81 2.378 7.313 -7.710 1.00 0.48 H new ATOM 0 HB3 ARG A 81 3.940 7.037 -6.966 1.00 0.48 H new ATOM 0 HG2 ARG A 81 2.821 4.921 -8.803 1.00 1.26 H new ATOM 0 HG3 ARG A 81 3.481 6.384 -9.504 1.00 1.26 H new ATOM 0 HD2 ARG A 81 5.605 5.963 -8.105 1.00 1.74 H new ATOM 0 HD3 ARG A 81 4.937 4.393 -7.706 1.00 1.74 H new ATOM 0 HE ARG A 81 4.865 4.734 -10.557 1.00 2.66 H new ATOM 0 HH11 ARG A 81 7.138 4.102 -7.905 1.00 4.16 H new ATOM 0 HH12 ARG A 81 8.328 3.338 -8.964 1.00 4.16 H new ATOM 0 HH21 ARG A 81 6.441 3.821 -11.910 1.00 4.51 H new ATOM 0 HH22 ARG A 81 7.936 3.179 -11.220 1.00 4.51 H new ATOM 1320 N ARG A 82 0.033 6.166 -6.178 1.00 0.50 N ATOM 1321 CA ARG A 82 -1.382 5.974 -6.450 1.00 0.51 C ATOM 1322 C ARG A 82 -1.746 6.617 -7.784 1.00 0.47 C ATOM 1323 O ARG A 82 -0.878 7.092 -8.511 1.00 0.68 O ATOM 1324 CB ARG A 82 -2.190 6.519 -5.264 1.00 0.79 C ATOM 1325 CG ARG A 82 -1.967 8.015 -4.981 1.00 1.09 C ATOM 1326 CD ARG A 82 -3.081 8.905 -5.535 1.00 1.71 C ATOM 1327 NE ARG A 82 -3.544 9.816 -4.489 1.00 1.83 N ATOM 1328 CZ ARG A 82 -4.557 9.612 -3.641 1.00 2.41 C ATOM 1329 NH1 ARG A 82 -5.435 8.622 -3.825 1.00 3.35 N ATOM 1330 NH2 ARG A 82 -4.664 10.406 -2.584 1.00 3.25 N ATOM 0 H ARG A 82 0.237 6.994 -5.619 1.00 0.50 H new ATOM 0 HA ARG A 82 -1.625 4.916 -6.549 1.00 0.51 H new ATOM 0 HB2 ARG A 82 -3.250 6.351 -5.454 1.00 0.79 H new ATOM 0 HB3 ARG A 82 -1.932 5.950 -4.371 1.00 0.79 H new ATOM 0 HG2 ARG A 82 -1.891 8.167 -3.904 1.00 1.09 H new ATOM 0 HG3 ARG A 82 -1.015 8.322 -5.415 1.00 1.09 H new ATOM 0 HD2 ARG A 82 -2.716 9.473 -6.391 1.00 1.71 H new ATOM 0 HD3 ARG A 82 -3.909 8.291 -5.890 1.00 1.71 H new ATOM 0 HE ARG A 82 -3.042 10.699 -4.397 1.00 1.83 H new ATOM 0 HH11 ARG A 82 -5.341 8.000 -4.628 1.00 3.35 H new ATOM 0 HH12 ARG A 82 -6.199 8.488 -3.163 1.00 3.35 H new ATOM 0 HH21 ARG A 82 -3.983 11.150 -2.434 1.00 3.25 H new ATOM 0 HH22 ARG A 82 -5.428 10.272 -1.921 1.00 3.25 H new ATOM 1344 N LEU A 83 -3.040 6.641 -8.101 1.00 0.59 N ATOM 1345 CA LEU A 83 -3.534 7.201 -9.345 1.00 0.63 C ATOM 1346 C LEU A 83 -3.798 8.685 -9.129 1.00 0.77 C ATOM 1347 O LEU A 83 -4.374 9.057 -8.113 1.00 1.21 O ATOM 1348 CB LEU A 83 -4.845 6.498 -9.739 1.00 1.12 C ATOM 1349 CG LEU A 83 -4.650 5.575 -10.946 1.00 2.10 C ATOM 1350 CD1 LEU A 83 -5.851 4.638 -11.054 1.00 2.60 C ATOM 1351 CD2 LEU A 83 -4.540 6.382 -12.241 1.00 3.12 C ATOM 0 H LEU A 83 -3.773 6.270 -7.496 1.00 0.59 H new ATOM 0 HA LEU A 83 -2.802 7.060 -10.140 1.00 0.63 H new ATOM 0 HB2 LEU A 83 -5.216 5.919 -8.894 1.00 1.12 H new ATOM 0 HB3 LEU A 83 -5.604 7.245 -9.971 1.00 1.12 H new ATOM 0 HG LEU A 83 -3.729 5.010 -10.804 1.00 2.10 H new ATOM 0 HD11 LEU A 83 -5.721 3.977 -11.911 1.00 2.60 H new ATOM 0 HD12 LEU A 83 -5.931 4.042 -10.145 1.00 2.60 H new ATOM 0 HD13 LEU A 83 -6.760 5.225 -11.184 1.00 2.60 H new ATOM 0 HD21 LEU A 83 -4.402 5.703 -13.082 1.00 3.12 H new ATOM 0 HD22 LEU A 83 -5.452 6.961 -12.388 1.00 3.12 H new ATOM 0 HD23 LEU A 83 -3.687 7.058 -12.177 1.00 3.12 H new ATOM 1363 N ASP A 84 -3.395 9.507 -10.099 1.00 1.08 N ATOM 1364 CA ASP A 84 -3.587 10.956 -10.094 1.00 1.60 C ATOM 1365 C ASP A 84 -5.028 11.352 -9.745 1.00 1.76 C ATOM 1366 O ASP A 84 -5.235 12.123 -8.808 1.00 2.16 O ATOM 1367 CB ASP A 84 -3.143 11.556 -11.442 1.00 1.94 C ATOM 1368 CG ASP A 84 -2.086 12.640 -11.258 1.00 2.18 C ATOM 1369 OD1 ASP A 84 -1.043 12.313 -10.652 1.00 2.62 O ATOM 1370 OD2 ASP A 84 -2.325 13.766 -11.746 1.00 2.86 O ATOM 0 H ASP A 84 -2.912 9.172 -10.933 1.00 1.08 H new ATOM 0 HA ASP A 84 -2.959 11.372 -9.307 1.00 1.60 H new ATOM 0 HB2 ASP A 84 -2.746 10.765 -12.079 1.00 1.94 H new ATOM 0 HB3 ASP A 84 -4.008 11.975 -11.956 1.00 1.94 H new ATOM 1375 N PRO A 85 -6.048 10.866 -10.473 1.00 1.86 N ATOM 1376 CA PRO A 85 -7.426 11.191 -10.153 1.00 2.24 C ATOM 1377 C PRO A 85 -7.857 10.479 -8.871 1.00 1.97 C ATOM 1378 O PRO A 85 -7.514 9.319 -8.639 1.00 1.58 O ATOM 1379 CB PRO A 85 -8.245 10.725 -11.357 1.00 2.69 C ATOM 1380 CG PRO A 85 -7.425 9.557 -11.898 1.00 2.53 C ATOM 1381 CD PRO A 85 -5.986 10.006 -11.645 1.00 2.06 C ATOM 0 HA PRO A 85 -7.567 12.257 -9.972 1.00 2.24 H new ATOM 0 HB2 PRO A 85 -9.248 10.414 -11.067 1.00 2.69 H new ATOM 0 HB3 PRO A 85 -8.359 11.516 -12.098 1.00 2.69 H new ATOM 0 HG2 PRO A 85 -7.655 8.627 -11.379 1.00 2.53 H new ATOM 0 HG3 PRO A 85 -7.615 9.386 -12.958 1.00 2.53 H new ATOM 0 HD2 PRO A 85 -5.333 9.151 -11.470 1.00 2.06 H new ATOM 0 HD3 PRO A 85 -5.585 10.543 -12.505 1.00 2.06 H new ATOM 1389 N LEU A 86 -8.661 11.168 -8.057 1.00 2.46 N ATOM 1390 CA LEU A 86 -9.136 10.615 -6.801 1.00 2.46 C ATOM 1391 C LEU A 86 -9.988 9.365 -7.057 1.00 2.39 C ATOM 1392 O LEU A 86 -10.627 9.245 -8.102 1.00 2.67 O ATOM 1393 CB LEU A 86 -9.904 11.668 -5.979 1.00 3.11 C ATOM 1394 CG LEU A 86 -11.245 12.148 -6.572 1.00 3.25 C ATOM 1395 CD1 LEU A 86 -12.204 12.487 -5.429 1.00 3.99 C ATOM 1396 CD2 LEU A 86 -11.070 13.400 -7.439 1.00 4.09 C ATOM 0 H LEU A 86 -8.994 12.112 -8.253 1.00 2.46 H new ATOM 0 HA LEU A 86 -8.271 10.318 -6.208 1.00 2.46 H new ATOM 0 HB2 LEU A 86 -10.095 11.257 -4.988 1.00 3.11 H new ATOM 0 HB3 LEU A 86 -9.258 12.536 -5.845 1.00 3.11 H new ATOM 0 HG LEU A 86 -11.638 11.346 -7.196 1.00 3.25 H new ATOM 0 HD11 LEU A 86 -13.154 12.827 -5.840 1.00 3.99 H new ATOM 0 HD12 LEU A 86 -12.370 11.600 -4.818 1.00 3.99 H new ATOM 0 HD13 LEU A 86 -11.772 13.276 -4.813 1.00 3.99 H new ATOM 0 HD21 LEU A 86 -12.038 13.705 -7.837 1.00 4.09 H new ATOM 0 HD22 LEU A 86 -10.656 14.207 -6.834 1.00 4.09 H new ATOM 0 HD23 LEU A 86 -10.392 13.180 -8.263 1.00 4.09 H new ATOM 1408 N PRO A 87 -9.983 8.410 -6.120 1.00 2.18 N ATOM 1409 CA PRO A 87 -10.707 7.164 -6.271 1.00 2.22 C ATOM 1410 C PRO A 87 -12.215 7.381 -6.179 1.00 2.65 C ATOM 1411 O PRO A 87 -12.688 8.365 -5.615 1.00 3.02 O ATOM 1412 CB PRO A 87 -10.185 6.240 -5.171 1.00 2.03 C ATOM 1413 CG PRO A 87 -9.551 7.174 -4.138 1.00 2.14 C ATOM 1414 CD PRO A 87 -9.218 8.451 -4.890 1.00 2.14 C ATOM 0 HA PRO A 87 -10.544 6.722 -7.254 1.00 2.22 H new ATOM 0 HB2 PRO A 87 -10.992 5.655 -4.731 1.00 2.03 H new ATOM 0 HB3 PRO A 87 -9.455 5.532 -5.564 1.00 2.03 H new ATOM 0 HG2 PRO A 87 -10.238 7.372 -3.315 1.00 2.14 H new ATOM 0 HG3 PRO A 87 -8.655 6.729 -3.705 1.00 2.14 H new ATOM 0 HD2 PRO A 87 -9.478 9.329 -4.299 1.00 2.14 H new ATOM 0 HD3 PRO A 87 -8.150 8.512 -5.098 1.00 2.14 H new ATOM 1422 N GLU A 88 -12.972 6.429 -6.724 1.00 2.81 N ATOM 1423 CA GLU A 88 -14.410 6.537 -6.903 1.00 3.27 C ATOM 1424 C GLU A 88 -15.071 5.288 -6.315 1.00 3.47 C ATOM 1425 O GLU A 88 -15.594 4.442 -7.033 1.00 3.42 O ATOM 1426 CB GLU A 88 -14.712 6.782 -8.396 1.00 3.30 C ATOM 1427 CG GLU A 88 -14.267 5.636 -9.326 1.00 3.85 C ATOM 1428 CD GLU A 88 -13.449 6.104 -10.531 1.00 5.06 C ATOM 1429 OE1 GLU A 88 -13.950 6.963 -11.286 1.00 5.68 O ATOM 1430 OE2 GLU A 88 -12.318 5.582 -10.693 1.00 6.00 O ATOM 0 H GLU A 88 -12.590 5.545 -7.059 1.00 2.81 H new ATOM 0 HA GLU A 88 -14.831 7.388 -6.368 1.00 3.27 H new ATOM 0 HB2 GLU A 88 -15.784 6.938 -8.518 1.00 3.30 H new ATOM 0 HB3 GLU A 88 -14.218 7.702 -8.709 1.00 3.30 H new ATOM 0 HG2 GLU A 88 -13.676 4.923 -8.752 1.00 3.85 H new ATOM 0 HG3 GLU A 88 -15.150 5.105 -9.682 1.00 3.85 H new ATOM 1437 N ASN A 89 -15.019 5.166 -4.983 1.00 4.17 N ATOM 1438 CA ASN A 89 -15.488 4.004 -4.223 1.00 4.82 C ATOM 1439 C ASN A 89 -14.929 2.699 -4.773 1.00 4.54 C ATOM 1440 O ASN A 89 -15.672 1.741 -4.981 1.00 5.01 O ATOM 1441 CB ASN A 89 -17.019 3.926 -4.206 1.00 5.32 C ATOM 1442 CG ASN A 89 -17.677 5.149 -3.588 1.00 5.86 C ATOM 1443 OD1 ASN A 89 -17.105 5.813 -2.736 1.00 6.40 O ATOM 1444 ND2 ASN A 89 -18.895 5.468 -4.007 1.00 6.01 N ATOM 0 H ASN A 89 -14.636 5.899 -4.386 1.00 4.17 H new ATOM 0 HA ASN A 89 -15.123 4.139 -3.205 1.00 4.82 H new ATOM 0 HB2 ASN A 89 -17.381 3.804 -5.227 1.00 5.32 H new ATOM 0 HB3 ASN A 89 -17.324 3.039 -3.652 1.00 5.32 H new ATOM 0 HD21 ASN A 89 -19.372 6.281 -3.617 1.00 6.01 H new ATOM 0 HD22 ASN A 89 -19.354 4.900 -4.719 1.00 6.01 H new ATOM 1451 N ILE A 90 -13.622 2.647 -5.017 1.00 4.03 N ATOM 1452 CA ILE A 90 -13.054 1.453 -5.612 1.00 3.96 C ATOM 1453 C ILE A 90 -12.710 0.458 -4.509 1.00 4.59 C ATOM 1454 O ILE A 90 -12.153 0.839 -3.480 1.00 4.77 O ATOM 1455 CB ILE A 90 -11.830 1.828 -6.458 1.00 3.29 C ATOM 1456 CG1 ILE A 90 -12.241 2.670 -7.676 1.00 3.28 C ATOM 1457 CG2 ILE A 90 -11.044 0.592 -6.917 1.00 3.55 C ATOM 1458 CD1 ILE A 90 -13.000 1.896 -8.762 1.00 3.93 C ATOM 0 H ILE A 90 -12.958 3.395 -4.817 1.00 4.03 H new ATOM 0 HA ILE A 90 -13.775 0.979 -6.277 1.00 3.96 H new ATOM 0 HB ILE A 90 -11.176 2.421 -5.819 1.00 3.29 H new ATOM 0 HG12 ILE A 90 -12.864 3.497 -7.336 1.00 3.28 H new ATOM 0 HG13 ILE A 90 -11.345 3.106 -8.118 1.00 3.28 H new ATOM 0 HG21 ILE A 90 -10.187 0.906 -7.512 1.00 3.55 H new ATOM 0 HG22 ILE A 90 -10.697 0.037 -6.045 1.00 3.55 H new ATOM 0 HG23 ILE A 90 -11.690 -0.047 -7.520 1.00 3.55 H new ATOM 0 HD11 ILE A 90 -13.249 2.570 -9.582 1.00 3.93 H new ATOM 0 HD12 ILE A 90 -12.374 1.085 -9.136 1.00 3.93 H new ATOM 0 HD13 ILE A 90 -13.916 1.482 -8.341 1.00 3.93 H new ATOM 1470 N ASP A 91 -13.011 -0.811 -4.759 1.00 5.12 N ATOM 1471 CA ASP A 91 -12.592 -1.970 -3.989 1.00 5.71 C ATOM 1472 C ASP A 91 -12.620 -3.138 -4.973 1.00 5.95 C ATOM 1473 O ASP A 91 -12.494 -2.850 -6.190 1.00 5.90 O ATOM 1474 CB ASP A 91 -13.528 -2.185 -2.790 1.00 6.82 C ATOM 1475 CG ASP A 91 -12.994 -3.228 -1.798 1.00 7.53 C ATOM 1476 OD1 ASP A 91 -11.759 -3.251 -1.579 1.00 7.91 O ATOM 1477 OD2 ASP A 91 -13.838 -3.920 -1.182 1.00 8.27 O ATOM 1478 OXT ASP A 91 -12.757 -4.304 -4.562 1.00 6.59 O ATOM 0 H ASP A 91 -13.591 -1.071 -5.556 1.00 5.12 H new ATOM 0 HA ASP A 91 -11.596 -1.854 -3.561 1.00 5.71 H new ATOM 0 HB2 ASP A 91 -13.671 -1.237 -2.272 1.00 6.82 H new ATOM 0 HB3 ASP A 91 -14.507 -2.501 -3.151 1.00 6.82 H new TER 1483 ASP A 91